USER  MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=14
USER  MOD reduce.3.24.130724 removed 303 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: C  27 CYS SG  :   rot  150:sc=    1.33
USER  MOD Set 1.2: C  30 CYS SG  :   rot  -46:sc=    0.36
USER  MOD Set 1.3: C  53 CYS SG  :   rot -136:sc=    1.12
USER  MOD Set 1.4: C  56 CYS SG  :   rot  147:sc=   0.413
USER  MOD Set 2.1: C  28 THR OG1 :   rot  111:sc=  -0.194
USER  MOD Set 2.2: C  29 HIS     :     no HD1:sc=   0.152  K(o=-0.042,f=-1.1)
USER  MOD Set 3.1: C  15 CYS SG  :   rot -174:sc=    1.11
USER  MOD Set 3.2: C  18 CYS SG  :   rot  -74:sc=   0.259
USER  MOD Set 3.3: C  35 HIS     :     no HD1:sc=   0.215  K(o=0.82,f=-1.7)
USER  MOD Set 3.4: C  38 CYS SG  :   rot -166:sc=  -0.763
USER  MOD Single : C  22 THR OG1 :   rot   76:sc=   0.397
USER  MOD Single : C  39 HIS     :     no HD1:sc=  -0.084  X(o=-0.084,f=-0.58)
USER  MOD Single : C  44 THR OG1 :   rot   81:sc=    1.02
USER  MOD Single : C  45 SER OG  :   rot  180:sc= 0.00545
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=  0.0204
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot  -39:sc=   0.563
USER  MOD -----------------------------------------------------------------
ATOM    167  N   ARG C  14       8.162  -0.571  -1.936  1.00  1.06           N
ATOM    168  CA  ARG C  14       8.353   0.859  -1.795  1.00  0.77           C
ATOM    169  C   ARG C  14       7.124   1.590  -2.306  1.00  0.65           C
ATOM    170  O   ARG C  14       6.421   1.091  -3.184  1.00  0.73           O
ATOM    171  CB  ARG C  14       9.595   1.298  -2.578  1.00  0.75           C
ATOM    172  CG  ARG C  14       9.941   2.769  -2.408  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.160   3.155  -3.230  1.00  1.12           C
ATOM    174  NE  ARG C  14      10.936   2.990  -4.664  1.00  1.74           N
ATOM    175  CZ  ARG C  14      11.791   3.395  -5.602  1.00  2.20           C
ATOM    176  NH1 ARG C  14      12.926   3.989  -5.255  1.00  2.19           N
ATOM    177  NH2 ARG C  14      11.514   3.200  -6.884  1.00  3.18           N
ATOM      0  HA  ARG C  14       8.499   1.103  -0.743  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14      10.445   0.695  -2.259  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       9.437   1.092  -3.637  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14       9.090   3.381  -2.708  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      10.129   2.980  -1.355  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      11.422   4.192  -3.022  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      12.010   2.544  -2.925  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      10.073   2.537  -4.965  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.144   4.136  -4.269  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      13.580   4.299  -5.974  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      10.645   2.739  -7.154  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      12.170   3.511  -7.601  1.00  3.18           H   new
ATOM    191  N   CYS C  15       6.856   2.755  -1.739  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.738   3.572  -2.169  1.00  0.46           C
ATOM    193  C   CYS C  15       6.002   4.097  -3.580  1.00  0.42           C
ATOM    194  O   CYS C  15       6.771   5.042  -3.774  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.561   4.717  -1.172  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.227   5.873  -1.540  1.00  0.48           S
ATOM      0  H   CYS C  15       7.402   3.156  -0.976  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       4.820   2.985  -2.197  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.386   4.291  -0.184  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.496   5.275  -1.117  1.00  0.46           H   new
ATOM      0  HG  CYS C  15       4.261   6.859  -0.693  1.00  0.48           H   new
ATOM    201  N   GLY C  16       5.335   3.493  -4.558  1.00  0.56           N
ATOM    202  CA  GLY C  16       5.629   3.768  -5.952  1.00  0.65           C
ATOM    203  C   GLY C  16       5.065   5.085  -6.438  1.00  0.54           C
ATOM    204  O   GLY C  16       5.385   5.531  -7.540  1.00  0.61           O
ATOM      0  H   GLY C  16       4.590   2.813  -4.408  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       6.710   3.770  -6.094  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       5.228   2.961  -6.566  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.220   5.706  -5.631  1.00  0.52           N
ATOM    209  CA  VAL C  17       3.634   6.988  -5.992  1.00  0.65           C
ATOM    210  C   VAL C  17       4.674   8.106  -5.917  1.00  0.66           C
ATOM    211  O   VAL C  17       4.724   8.980  -6.783  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.436   7.337  -5.085  1.00  0.78           C
ATOM    213  CG1 VAL C  17       1.885   8.717  -5.416  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.342   6.288  -5.214  1.00  0.94           C
ATOM      0  H   VAL C  17       3.925   5.345  -4.724  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.279   6.899  -7.019  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       2.789   7.348  -4.054  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       1.041   8.938  -4.762  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       2.664   9.465  -5.269  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       1.554   8.737  -6.454  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.506   6.553  -4.566  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.000   6.244  -6.248  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       1.735   5.315  -4.920  1.00  0.94           H   new
ATOM    224  N   CYS C  18       5.518   8.064  -4.896  1.00  0.55           N
ATOM    225  CA  CYS C  18       6.499   9.121  -4.692  1.00  0.70           C
ATOM    226  C   CYS C  18       7.920   8.609  -4.933  1.00  0.68           C
ATOM    227  O   CYS C  18       8.841   9.391  -5.174  1.00  0.84           O
ATOM    228  CB  CYS C  18       6.374   9.688  -3.279  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.796   8.507  -1.983  1.00  0.82           S
ATOM      0  H   CYS C  18       5.544   7.317  -4.202  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       6.299   9.914  -5.413  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       7.022  10.560  -3.188  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       5.352  10.033  -3.125  1.00  0.82           H   new
ATOM      0  HG  CYS C  18       5.844   7.629  -1.869  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.093   7.292  -4.857  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.399   6.698  -5.071  1.00  0.67           C
ATOM    236  C   GLY C  19      10.236   6.695  -3.808  1.00  0.68           C
ATOM    237  O   GLY C  19      11.435   6.417  -3.841  1.00  0.77           O
ATOM      0  H   GLY C  19       7.349   6.625  -4.650  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.278   5.675  -5.428  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19       9.924   7.248  -5.852  1.00  0.67           H   new
ATOM    241  N   ASP C  20       9.600   7.006  -2.690  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.289   7.077  -1.411  1.00  0.70           C
ATOM    243  C   ASP C  20       9.861   5.922  -0.517  1.00  0.52           C
ATOM    244  O   ASP C  20       8.716   5.466  -0.586  1.00  0.44           O
ATOM    245  CB  ASP C  20       9.988   8.415  -0.732  1.00  0.80           C
ATOM    246  CG  ASP C  20      10.819   8.637   0.510  1.00  1.30           C
ATOM    247  OD1 ASP C  20      10.407   8.181   1.594  1.00  1.40           O
ATOM    248  OD2 ASP C  20      11.893   9.257   0.410  1.00  2.10           O
ATOM      0  H   ASP C  20       8.603   7.214  -2.642  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.363   7.002  -1.582  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      10.172   9.225  -1.437  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20       8.931   8.455  -0.469  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.780   5.437   0.307  1.00  0.55           N
ATOM    254  CA  GLY C  21      10.484   4.308   1.166  1.00  0.51           C
ATOM    255  C   GLY C  21      10.662   4.628   2.637  1.00  0.45           C
ATOM    256  O   GLY C  21      10.781   3.723   3.466  1.00  0.51           O
ATOM      0  H   GLY C  21      11.727   5.806   0.396  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       9.458   3.983   0.991  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      11.133   3.474   0.899  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.703   5.912   2.958  1.00  0.44           N
ATOM    261  CA  THR C  22      10.840   6.353   4.335  1.00  0.46           C
ATOM    262  C   THR C  22       9.486   6.331   5.041  1.00  0.39           C
ATOM    263  O   THR C  22       8.548   7.015   4.615  1.00  0.41           O
ATOM    264  CB  THR C  22      11.429   7.774   4.401  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.509   7.897   3.463  1.00  1.06           O
ATOM    266  CG2 THR C  22      11.932   8.094   5.800  1.00  0.90           C
ATOM      0  H   THR C  22      10.643   6.670   2.278  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.520   5.666   4.838  1.00  0.46           H   new
ATOM      0  HB  THR C  22      10.639   8.481   4.149  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.147   7.978   2.556  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      12.343   9.104   5.817  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      11.106   8.026   6.508  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.709   7.382   6.079  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.389   5.534   6.103  1.00  0.41           N
ATOM    275  CA  ASP C  23       8.164   5.429   6.898  1.00  0.45           C
ATOM    276  C   ASP C  23       6.988   4.976   6.043  1.00  0.38           C
ATOM    277  O   ASP C  23       6.011   5.705   5.872  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.829   6.760   7.584  1.00  0.59           C
ATOM    279  CG  ASP C  23       8.769   7.087   8.725  1.00  1.39           C
ATOM    280  OD1 ASP C  23       8.549   6.588   9.847  1.00  1.75           O
ATOM    281  OD2 ASP C  23       9.738   7.842   8.504  1.00  2.23           O
ATOM      0  H   ASP C  23      10.152   4.945   6.437  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       8.344   4.678   7.667  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       7.867   7.562   6.847  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       6.807   6.722   7.961  1.00  0.59           H   new
ATOM    286  N   VAL C  24       7.089   3.770   5.505  1.00  0.33           N
ATOM    287  CA  VAL C  24       6.021   3.217   4.686  1.00  0.31           C
ATOM    288  C   VAL C  24       5.018   2.464   5.544  1.00  0.32           C
ATOM    289  O   VAL C  24       5.384   1.771   6.495  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.552   2.272   3.582  1.00  0.36           C
ATOM    291  CG1 VAL C  24       7.268   3.057   2.497  1.00  1.14           C
ATOM    292  CG2 VAL C  24       7.476   1.215   4.168  1.00  1.16           C
ATOM      0  H   VAL C  24       7.896   3.157   5.620  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.534   4.064   4.203  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       5.695   1.768   3.135  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.632   2.371   1.732  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       6.576   3.769   2.046  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       8.110   3.595   2.933  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       7.835   0.564   3.371  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       8.324   1.700   4.650  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       6.931   0.622   4.903  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.751   2.620   5.212  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.686   1.930   5.911  1.00  0.30           C
ATOM    304  C   LEU C  25       2.399   0.607   5.221  1.00  0.30           C
ATOM    305  O   LEU C  25       2.524   0.497   3.998  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.426   2.799   5.951  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.590   4.150   6.654  1.00  0.37           C
ATOM    308  CD1 LEU C  25       0.304   4.952   6.571  1.00  0.39           C
ATOM    309  CD2 LEU C  25       2.003   3.958   8.105  1.00  0.48           C
ATOM      0  H   LEU C  25       3.433   3.225   4.455  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.998   1.735   6.937  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       1.094   2.977   4.928  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.634   2.241   6.451  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       2.379   4.704   6.145  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25       0.439   5.909   7.076  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25       0.050   5.126   5.525  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.502   4.398   7.053  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       2.113   4.931   8.584  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       1.240   3.381   8.627  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.952   3.424   8.145  1.00  0.48           H   new
ATOM    321  N   ARG C  26       2.036  -0.394   6.001  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.775  -1.719   5.466  1.00  0.33           C
ATOM    323  C   ARG C  26       0.295  -2.048   5.530  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.393  -1.696   6.489  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.576  -2.775   6.233  1.00  0.42           C
ATOM    326  CG  ARG C  26       3.832  -3.236   5.508  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.830  -2.106   5.315  1.00  0.95           C
ATOM    328  NE  ARG C  26       5.438  -1.683   6.577  1.00  1.64           N
ATOM    329  CZ  ARG C  26       6.755  -1.610   6.777  1.00  2.21           C
ATOM    330  NH1 ARG C  26       7.599  -1.991   5.826  1.00  2.24           N
ATOM    331  NH2 ARG C  26       7.231  -1.178   7.938  1.00  3.18           N
ATOM      0  H   ARG C  26       1.915  -0.315   7.011  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.087  -1.726   4.422  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.856  -2.370   7.205  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       1.937  -3.638   6.419  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.302  -4.041   6.074  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       3.559  -3.647   4.536  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       5.612  -2.428   4.627  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       4.329  -1.256   4.852  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       4.820  -1.430   7.348  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       7.242  -2.342   4.937  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       8.605  -1.933   5.984  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       6.589  -0.901   8.681  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       8.238  -1.123   8.088  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.192  -2.715   4.494  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.569  -3.167   4.458  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.754  -4.291   5.474  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.993  -5.254   5.485  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.934  -3.653   3.048  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.711  -3.840   2.793  1.00  0.37           S
ATOM      0  H   CYS C  27       0.352  -2.955   3.665  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.230  -2.338   4.713  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.541  -2.948   2.315  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.445  -4.610   2.863  1.00  0.29           H   new
ATOM      0  HG  CYS C  27      -3.994  -3.629   1.542  1.00  0.37           H   new
ATOM    355  N   THR C  28      -2.750  -4.167   6.335  1.00  0.25           N
ATOM    356  CA  THR C  28      -3.016  -5.199   7.328  1.00  0.31           C
ATOM    357  C   THR C  28      -3.879  -6.302   6.726  1.00  0.33           C
ATOM    358  O   THR C  28      -4.103  -7.350   7.336  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.720  -4.612   8.562  1.00  0.39           C
ATOM    360  OG1 THR C  28      -4.910  -3.931   8.158  1.00  0.75           O
ATOM    361  CG2 THR C  28      -2.807  -3.649   9.306  1.00  0.72           C
ATOM      0  H   THR C  28      -3.385  -3.369   6.369  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -2.058  -5.616   7.640  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -3.974  -5.432   9.234  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -5.694  -4.429   8.471  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.330  -3.249  10.174  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -1.911  -4.177   9.634  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.524  -2.831   8.644  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.360  -6.051   5.516  1.00  0.31           N
ATOM    370  CA  HIS C  29      -5.210  -7.003   4.819  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.412  -7.801   3.792  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.762  -8.935   3.472  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.382  -6.285   4.144  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.433  -5.801   5.102  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.774  -6.068   4.943  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.336  -5.052   6.227  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -9.454  -5.506   5.923  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.606  -4.882   6.718  1.00  1.43           N
ATOM      0  H   HIS C  29      -4.175  -5.193   4.996  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.607  -7.701   5.556  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -5.998  -5.434   3.581  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.844  -6.961   3.425  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -6.426  -4.661   6.658  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29     -10.525  -5.549   6.053  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -8.853  -4.360   7.558  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -3.344  -7.209   3.267  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.489  -7.908   2.317  1.00  0.33           C
ATOM    389  C   CYS C  30      -1.056  -7.374   2.395  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.685  -6.732   3.369  1.00  0.31           O
ATOM    391  CB  CYS C  30      -3.045  -7.779   0.891  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.654  -6.222   0.065  1.00  0.79           S
ATOM      0  H   CYS C  30      -3.052  -6.255   3.481  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.474  -8.966   2.578  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.657  -8.601   0.289  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -4.128  -7.893   0.927  1.00  0.42           H   new
ATOM      0  HG  CYS C  30      -2.870  -5.232   0.880  1.00  0.79           H   new
ATOM    397  N   ALA C  31      -0.271  -7.625   1.359  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.122  -7.204   1.324  1.00  0.37           C
ATOM    399  C   ALA C  31       1.292  -5.969   0.447  1.00  0.36           C
ATOM    400  O   ALA C  31       0.979  -6.001  -0.746  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.003  -8.336   0.816  1.00  0.47           C
ATOM      0  H   ALA C  31      -0.578  -8.123   0.524  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.427  -6.949   2.339  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.042  -8.007   0.795  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       1.908  -9.196   1.478  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       1.691  -8.617  -0.190  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.776  -4.884   1.048  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.015  -3.634   0.333  1.00  0.35           C
ATOM    409  C   ALA C  32       2.724  -2.626   1.228  1.00  0.33           C
ATOM    410  O   ALA C  32       2.431  -2.532   2.422  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.706  -3.042  -0.178  1.00  0.37           C
ATOM      0  H   ALA C  32       2.012  -4.847   2.040  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.655  -3.857  -0.521  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.910  -2.111  -0.707  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.228  -3.748  -0.857  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.043  -2.843   0.664  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.657  -1.882   0.648  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.353  -0.818   1.359  1.00  0.38           C
ATOM    419  C   ALA C  33       4.125   0.506   0.646  1.00  0.37           C
ATOM    420  O   ALA C  33       4.589   0.705  -0.478  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.841  -1.121   1.457  1.00  0.45           C
ATOM      0  H   ALA C  33       3.951  -1.998  -0.322  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.956  -0.751   2.372  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.342  -0.314   1.991  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.987  -2.058   1.995  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.261  -1.208   0.455  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.404   1.408   1.295  1.00  0.34           N
ATOM    428  CA  PHE C  34       3.002   2.655   0.662  1.00  0.36           C
ATOM    429  C   PHE C  34       2.738   3.733   1.703  1.00  0.32           C
ATOM    430  O   PHE C  34       2.688   3.458   2.896  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.736   2.425  -0.172  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.551   1.960   0.636  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.407   0.624   0.977  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.418   2.861   1.052  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.680   0.196   1.715  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.506   2.439   1.790  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.630   1.103   2.130  1.00  0.61           C
ATOM      0  H   PHE C  34       3.086   1.300   2.258  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.814   2.990   0.016  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.475   3.352  -0.682  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.950   1.686  -0.944  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       1.153  -0.091   0.662  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.320   3.906   0.796  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -0.785  -0.849   1.966  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.258   3.149   2.101  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.471   0.772   2.721  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.575   4.962   1.240  1.00  0.32           N
ATOM    448  CA  HIS C  35       2.189   6.059   2.113  1.00  0.32           C
ATOM    449  C   HIS C  35       0.714   6.360   1.921  1.00  0.33           C
ATOM    450  O   HIS C  35       0.225   6.433   0.789  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.999   7.320   1.811  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.474   7.164   1.985  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.343   7.792   1.144  1.00  0.42           N
ATOM    454  CD2 HIS C  35       5.175   6.460   2.905  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.554   7.461   1.551  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.507   6.652   2.623  1.00  0.42           N
ATOM      0  H   HIS C  35       2.704   5.225   0.263  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.386   5.760   3.142  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.797   7.629   0.785  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.652   8.124   2.460  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.766   5.862   3.706  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.467   7.798   1.082  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.302   6.259   3.127  1.00  0.42           H   new
ATOM    464  N   TRP C  36       0.016   6.536   3.033  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.412   6.821   3.019  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.684   8.159   2.338  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.677   8.313   1.633  1.00  0.37           O
ATOM    468  CB  TRP C  36      -1.947   6.828   4.455  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.434   6.982   4.566  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.113   8.090   4.978  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.424   5.992   4.268  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.464   7.845   4.968  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.681   6.568   4.529  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.371   4.674   3.806  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -6.872   5.872   4.343  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.554   3.985   3.622  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.790   4.585   3.889  1.00  0.68           C
ATOM      0  H   TRP C  36       0.421   6.486   3.968  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -1.925   6.044   2.452  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.654   5.898   4.943  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.469   7.640   5.003  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.655   9.024   5.270  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.189   8.508   5.243  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.422   4.203   3.597  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -7.827   6.332   4.550  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.525   2.966   3.266  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.697   4.020   3.733  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -0.773   9.110   2.530  1.00  0.35           N
ATOM    489  CA  ARG C  37      -0.922  10.450   1.966  1.00  0.44           C
ATOM    490  C   ARG C  37      -0.593  10.476   0.473  1.00  0.41           C
ATOM    491  O   ARG C  37      -0.946  11.418  -0.232  1.00  0.51           O
ATOM    492  CB  ARG C  37      -0.025  11.436   2.710  1.00  0.61           C
ATOM    493  CG  ARG C  37      -0.321  11.528   4.198  1.00  0.70           C
ATOM    494  CD  ARG C  37       0.676  12.431   4.896  1.00  1.05           C
ATOM    495  NE  ARG C  37       0.522  12.415   6.346  1.00  1.72           N
ATOM    496  CZ  ARG C  37       1.547  12.448   7.198  1.00  2.32           C
ATOM    497  NH1 ARG C  37       2.793  12.513   6.741  1.00  2.37           N
ATOM    498  NH2 ARG C  37       1.327  12.421   8.506  1.00  3.33           N
ATOM      0  H   ARG C  37       0.080   8.977   3.074  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -1.965  10.743   2.085  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       1.016  11.142   2.573  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -0.138  12.424   2.264  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -1.331  11.910   4.348  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.288  10.533   4.641  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       1.688  12.118   4.638  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37       0.555  13.451   4.532  1.00  1.05           H   new
ATOM      0  HE  ARG C  37      -0.422  12.376   6.730  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       2.967  12.538   5.736  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       3.575  12.538   7.395  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37       0.372  12.375   8.862  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       2.113  12.446   9.156  1.00  3.33           H   new
ATOM    512  N   CYS C  38       0.096   9.447  -0.006  1.00  0.37           N
ATOM    513  CA  CYS C  38       0.405   9.341  -1.429  1.00  0.36           C
ATOM    514  C   CYS C  38      -0.747   8.670  -2.176  1.00  0.36           C
ATOM    515  O   CYS C  38      -0.896   8.828  -3.385  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.709   8.566  -1.650  1.00  0.34           C
ATOM    517  SG  CYS C  38       3.203   9.443  -1.121  1.00  0.54           S
ATOM      0  H   CYS C  38       0.450   8.679   0.564  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.538  10.348  -1.824  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.650   7.619  -1.113  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.799   8.327  -2.710  1.00  0.34           H   new
ATOM      0  HG  CYS C  38       4.250   8.854  -1.617  1.00  0.54           H   new
ATOM    522  N   HIS C  39      -1.552   7.913  -1.446  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.706   7.241  -2.029  1.00  0.39           C
ATOM    524  C   HIS C  39      -3.953   8.103  -1.879  1.00  0.46           C
ATOM    525  O   HIS C  39      -4.662   8.369  -2.851  1.00  0.61           O
ATOM    526  CB  HIS C  39      -2.931   5.880  -1.362  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.009   4.806  -1.851  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.413   3.506  -2.047  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.698   4.841  -2.181  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.394   2.789  -2.475  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.337   3.575  -2.567  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.428   7.748  -0.447  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.509   7.083  -3.089  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.807   5.989  -0.285  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -3.961   5.568  -1.534  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.053   5.707  -2.147  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -1.419   1.735  -2.711  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.593   3.289  -2.874  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.199   8.547  -0.658  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.364   9.356  -0.349  1.00  0.49           C
ATOM    542  C   PHE C  40      -4.929  10.741   0.104  1.00  0.54           C
ATOM    543  O   PHE C  40      -3.825  10.906   0.623  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.185   8.699   0.766  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.755   7.359   0.405  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -7.976   7.262  -0.240  1.00  0.71           C
ATOM    547  CD2 PHE C  40      -6.064   6.198   0.702  1.00  0.55           C
ATOM    548  CE1 PHE C  40      -8.497   6.030  -0.582  1.00  0.80           C
ATOM    549  CE2 PHE C  40      -6.579   4.964   0.361  1.00  0.66           C
ATOM    550  CZ  PHE C  40      -7.820   4.879  -0.244  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.598   8.357   0.144  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -5.975   9.439  -1.248  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.554   8.587   1.648  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.002   9.366   1.041  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -8.527   8.160  -0.478  1.00  0.71           H   new
ATOM      0  HD2 PHE C  40      -5.111   6.258   1.206  1.00  0.55           H   new
ATOM      0  HE1 PHE C  40      -9.435   5.969  -1.114  1.00  0.80           H   new
ATOM      0  HE2 PHE C  40      -6.014   4.067   0.566  1.00  0.66           H   new
ATOM      0  HZ  PHE C  40      -8.257   3.913  -0.451  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -5.780  11.759  -0.100  1.00  0.89           N
ATOM    561  CA  PRO C  41      -5.543  13.094   0.444  1.00  1.04           C
ATOM    562  C   PRO C  41      -5.397  13.040   1.958  1.00  1.30           C
ATOM    563  O   PRO C  41      -6.014  12.205   2.621  1.00  1.93           O
ATOM    564  CB  PRO C  41      -6.801  13.874   0.053  1.00  1.81           C
ATOM    565  CG  PRO C  41      -7.355  13.141  -1.117  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.020  11.696  -0.887  1.00  1.43           C
ATOM      0  HA  PRO C  41      -4.627  13.548   0.065  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -7.517  13.907   0.874  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -6.563  14.906  -0.204  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -8.433  13.285  -1.195  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -6.917  13.501  -2.048  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -7.814  11.180  -0.347  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -6.874  11.162  -1.826  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -4.589  13.940   2.496  1.00  1.64           N
ATOM    575  CA  ALA C  42      -4.290  13.964   3.928  1.00  2.34           C
ATOM    576  C   ALA C  42      -5.536  14.262   4.760  1.00  1.92           C
ATOM    577  O   ALA C  42      -5.523  14.127   5.983  1.00  2.41           O
ATOM    578  CB  ALA C  42      -3.202  14.983   4.222  1.00  3.30           C
ATOM      0  H   ALA C  42      -4.122  14.672   1.960  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -3.935  12.972   4.209  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -2.990  14.990   5.291  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -2.298  14.718   3.674  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -3.537  15.973   3.912  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -6.604  14.676   4.094  1.00  1.37           N
ATOM    585  CA  GLY C  43      -7.868  14.896   4.768  1.00  1.46           C
ATOM    586  C   GLY C  43      -8.703  13.632   4.848  1.00  1.21           C
ATOM    587  O   GLY C  43      -9.865  13.669   5.253  1.00  1.41           O
ATOM      0  H   GLY C  43      -6.618  14.865   3.092  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -7.681  15.270   5.775  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43      -8.429  15.667   4.241  1.00  1.46           H   new
ATOM    591  N   THR C  44      -8.118  12.512   4.449  1.00  0.90           N
ATOM    592  CA  THR C  44      -8.796  11.226   4.505  1.00  0.76           C
ATOM    593  C   THR C  44      -8.478  10.516   5.819  1.00  0.65           C
ATOM    594  O   THR C  44      -7.339  10.550   6.292  1.00  0.73           O
ATOM    595  CB  THR C  44      -8.373  10.328   3.327  1.00  0.83           C
ATOM    596  OG1 THR C  44      -8.430  11.076   2.106  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.271   9.106   3.211  1.00  0.99           C
ATOM      0  H   THR C  44      -7.168  12.469   4.080  1.00  0.90           H   new
ATOM      0  HA  THR C  44      -9.868  11.411   4.440  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -7.354   9.988   3.511  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -7.621  11.623   2.019  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -8.945   8.494   2.370  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.211   8.522   4.130  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.301   9.425   3.050  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.476   9.866   6.394  1.00  0.67           N
ATOM    606  CA  SER C  45      -9.298   9.166   7.651  1.00  0.69           C
ATOM    607  C   SER C  45      -8.822   7.744   7.396  1.00  0.61           C
ATOM    608  O   SER C  45      -9.213   7.111   6.414  1.00  0.66           O
ATOM    609  CB  SER C  45     -10.610   9.161   8.437  1.00  0.91           C
ATOM    610  OG  SER C  45     -11.676   8.662   7.643  1.00  1.60           O
ATOM      0  H   SER C  45     -10.419   9.810   6.008  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -8.541   9.682   8.241  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -10.500   8.548   9.332  1.00  0.91           H   new
ATOM      0  HB3 SER C  45     -10.842  10.172   8.770  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -12.504   8.667   8.167  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -7.960   7.257   8.267  1.00  0.66           N
ATOM    617  CA  ARG C  46      -7.398   5.930   8.127  1.00  0.70           C
ATOM    618  C   ARG C  46      -8.292   4.920   8.838  1.00  0.82           C
ATOM    619  O   ARG C  46      -8.659   5.121   9.996  1.00  0.97           O
ATOM    620  CB  ARG C  46      -5.985   5.914   8.709  1.00  0.86           C
ATOM    621  CG  ARG C  46      -5.150   7.101   8.262  1.00  1.10           C
ATOM    622  CD  ARG C  46      -3.768   7.096   8.885  1.00  1.09           C
ATOM    623  NE  ARG C  46      -2.986   8.252   8.456  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -1.665   8.354   8.586  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -0.968   7.387   9.168  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -1.040   9.437   8.147  1.00  2.68           N
ATOM      0  H   ARG C  46      -7.632   7.767   9.087  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -7.342   5.658   7.073  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -6.045   5.908   9.797  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -5.485   4.992   8.412  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -5.057   7.089   7.176  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -5.663   8.025   8.528  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -3.857   7.098   9.971  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -3.246   6.179   8.610  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -3.485   9.033   8.029  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -1.444   6.556   9.520  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       0.044   7.474   9.263  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -1.571  10.191   7.710  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46      -0.028   9.517   8.246  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -8.659   3.830   8.147  1.00  0.82           N
ATOM    641  CA  PRO C  47      -9.618   2.846   8.660  1.00  1.01           C
ATOM    642  C   PRO C  47      -9.152   2.187   9.954  1.00  1.13           C
ATOM    643  O   PRO C  47      -8.005   1.751  10.069  1.00  1.14           O
ATOM    644  CB  PRO C  47      -9.714   1.806   7.536  1.00  1.02           C
ATOM    645  CG  PRO C  47      -8.480   1.998   6.726  1.00  0.83           C
ATOM    646  CD  PRO C  47      -8.160   3.460   6.813  1.00  0.70           C
ATOM      0  HA  PRO C  47     -10.571   3.313   8.909  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -9.769   0.794   7.938  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47     -10.609   1.958   6.933  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -7.660   1.394   7.114  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.639   1.693   5.692  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -7.090   3.645   6.717  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -8.654   4.029   6.025  1.00  0.70           H   new
ATOM    654  N   GLY C  48     -10.053   2.125  10.926  1.00  1.31           N
ATOM    655  CA  GLY C  48      -9.751   1.472  12.183  1.00  1.49           C
ATOM    656  C   GLY C  48      -9.947  -0.023  12.087  1.00  1.61           C
ATOM    657  O   GLY C  48      -9.551  -0.777  12.977  1.00  1.90           O
ATOM      0  H   GLY C  48     -10.992   2.518  10.864  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -8.722   1.688  12.469  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48     -10.391   1.875  12.968  1.00  1.49           H   new
ATOM    661  N   THR C  49     -10.550  -0.452  10.987  1.00  1.53           N
ATOM    662  CA  THR C  49     -10.755  -1.863  10.718  1.00  1.70           C
ATOM    663  C   THR C  49      -9.563  -2.438   9.958  1.00  1.25           C
ATOM    664  O   THR C  49      -9.686  -3.413   9.213  1.00  1.89           O
ATOM    665  CB  THR C  49     -12.049  -2.083   9.912  1.00  2.25           C
ATOM    666  OG1 THR C  49     -12.111  -1.152   8.820  1.00  2.72           O
ATOM    667  CG2 THR C  49     -13.275  -1.915  10.797  1.00  2.75           C
ATOM      0  H   THR C  49     -10.909   0.168  10.260  1.00  1.53           H   new
ATOM      0  HA  THR C  49     -10.849  -2.380  11.673  1.00  1.70           H   new
ATOM      0  HB  THR C  49     -12.039  -3.101   9.523  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -12.936  -1.299   8.311  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -14.176  -2.075  10.205  1.00  2.75           H   new
ATOM      0 HG22 THR C  49     -13.240  -2.642  11.609  1.00  2.75           H   new
ATOM      0 HG23 THR C  49     -13.288  -0.907  11.213  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -8.411  -1.814  10.148  1.00  0.82           N
ATOM    676  CA  GLY C  50      -7.207  -2.257   9.491  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.840  -1.362   8.333  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.691  -1.031   7.507  1.00  0.60           O
ATOM      0  H   GLY C  50      -8.292  -1.001  10.752  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -6.387  -2.277  10.209  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -7.342  -3.278   9.133  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -5.580  -0.962   8.279  1.00  0.50           N
ATOM    683  CA  LEU C  51      -5.091  -0.115   7.203  1.00  0.41           C
ATOM    684  C   LEU C  51      -5.197  -0.865   5.879  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.653  -1.965   5.722  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.639   0.304   7.492  1.00  0.50           C
ATOM    687  CG  LEU C  51      -3.140   1.579   6.791  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.965   1.358   5.298  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -4.092   2.741   7.042  1.00  0.86           C
ATOM      0  H   LEU C  51      -4.874  -1.212   8.971  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.697   0.788   7.136  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -3.531   0.442   8.568  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.984  -0.520   7.209  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -2.166   1.826   7.214  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.611   2.278   4.833  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.237   0.564   5.131  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.921   1.073   4.858  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -3.719   3.632   6.537  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -5.080   2.492   6.656  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -4.159   2.932   8.113  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.908  -0.275   4.930  1.00  0.32           N
ATOM    702  CA  ARG C  52      -6.138  -0.916   3.650  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.377  -0.203   2.548  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.180   1.008   2.589  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.634  -0.927   3.306  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.507  -1.613   4.342  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.937  -1.775   3.847  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.555  -0.498   3.483  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.728  -0.393   2.857  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -12.407  -1.483   2.523  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -12.222   0.801   2.562  1.00  2.65           N
ATOM      0  H   ARG C  52      -6.335   0.647   5.025  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.781  -1.943   3.727  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -7.975   0.101   3.184  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.771  -1.424   2.346  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -8.090  -2.592   4.580  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -8.504  -1.032   5.264  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.945  -2.438   2.982  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52     -10.534  -2.255   4.622  1.00  0.79           H   new
ATOM      0  HE  ARG C  52     -10.060   0.361   3.722  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -12.032  -2.405   2.745  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -13.304  -1.399   2.044  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -11.705   1.643   2.814  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -13.119   0.878   2.083  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.948  -0.974   1.568  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.270  -0.431   0.408  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.290  -0.127  -0.682  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.497  -0.215  -0.446  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.250  -1.436  -0.112  1.00  0.47           C
ATOM    730  SG  CYS C  53      -4.010  -2.892  -0.857  1.00  0.49           S
ATOM      0  H   CYS C  53      -5.059  -1.988   1.553  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -3.755   0.487   0.690  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -2.612  -0.949  -0.849  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.606  -1.750   0.710  1.00  0.47           H   new
ATOM      0  HG  CYS C  53      -3.385  -3.960  -0.458  1.00  0.49           H   new
ATOM    735  N   ARG C  54      -4.808   0.184  -1.878  1.00  0.58           N
ATOM    736  CA  ARG C  54      -5.686   0.503  -2.997  1.00  0.68           C
ATOM    737  C   ARG C  54      -6.598  -0.679  -3.343  1.00  0.64           C
ATOM    738  O   ARG C  54      -7.813  -0.517  -3.429  1.00  0.68           O
ATOM    739  CB  ARG C  54      -4.862   0.930  -4.222  1.00  0.87           C
ATOM    740  CG  ARG C  54      -3.829  -0.096  -4.660  1.00  1.28           C
ATOM    741  CD  ARG C  54      -3.066   0.362  -5.890  1.00  1.82           C
ATOM    742  NE  ARG C  54      -2.143  -0.665  -6.376  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -1.684  -0.720  -7.625  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -2.068   0.184  -8.520  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -0.844  -1.685  -7.983  1.00  4.09           N
ATOM      0  H   ARG C  54      -3.813   0.222  -2.099  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -6.322   1.336  -2.698  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -5.540   1.126  -5.053  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -4.355   1.868  -3.997  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -3.129  -0.278  -3.845  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -4.325  -1.043  -4.872  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -3.772   0.618  -6.680  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -2.508   1.268  -5.654  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -1.833  -1.381  -5.719  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -2.717   0.924  -8.252  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -1.714   0.138  -9.475  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -0.550  -2.384  -7.301  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -0.493  -1.727  -8.940  1.00  4.09           H   new
ATOM    759  N   SER C  55      -6.011  -1.866  -3.490  1.00  0.62           N
ATOM    760  CA  SER C  55      -6.748  -3.052  -3.925  1.00  0.65           C
ATOM    761  C   SER C  55      -7.742  -3.525  -2.865  1.00  0.60           C
ATOM    762  O   SER C  55      -8.837  -3.988  -3.180  1.00  0.68           O
ATOM    763  CB  SER C  55      -5.765  -4.171  -4.262  1.00  0.72           C
ATOM    764  OG  SER C  55      -4.772  -3.715  -5.165  1.00  1.54           O
ATOM      0  H   SER C  55      -5.020  -2.032  -3.313  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -7.321  -2.785  -4.813  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -5.293  -4.534  -3.349  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -6.302  -5.013  -4.700  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -4.152  -4.447  -5.366  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.359  -3.416  -1.606  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.236  -3.812  -0.514  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.369  -2.803  -0.313  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.352  -3.088   0.366  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.432  -4.023   0.762  1.00  0.50           C
ATOM    775  SG  CYS C  56      -6.280  -5.414   0.651  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.450  -3.058  -1.313  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.703  -4.761  -0.776  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.874  -3.114   0.988  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -8.117  -4.191   1.593  1.00  0.50           H   new
ATOM      0  HG  CYS C  56      -5.220  -5.157   1.358  1.00  0.65           H   new
ATOM    780  N   SER C  57      -9.212  -1.620  -0.892  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.262  -0.613  -0.873  1.00  0.74           C
ATOM    782  C   SER C  57     -11.049  -0.659  -2.189  1.00  0.89           C
ATOM    783  O   SER C  57     -11.908   0.186  -2.453  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.650   0.778  -0.660  1.00  0.78           C
ATOM    785  OG  SER C  57     -10.652   1.776  -0.554  1.00  1.25           O
ATOM      0  H   SER C  57      -8.364  -1.335  -1.382  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.945  -0.820  -0.049  1.00  0.74           H   new
ATOM      0  HB2 SER C  57      -9.042   0.774   0.244  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -8.985   1.015  -1.491  1.00  0.78           H   new
ATOM      0  HG  SER C  57     -11.371   1.587  -1.193  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -10.748  -1.662  -3.001  1.00  0.86           N
ATOM    792  CA  GLY C  58     -11.359  -1.797  -4.310  1.00  1.06           C
ATOM    793  C   GLY C  58     -10.361  -2.351  -5.298  1.00  1.50           C
ATOM    794  O   GLY C  58      -9.180  -2.040  -5.210  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.079  -2.397  -2.772  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -12.225  -2.456  -4.249  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -11.720  -0.827  -4.652  1.00  1.06           H   new