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  15 CYS SG  :   rot -130:sc=      -1
USER  MOD Set 1.2: C  18 CYS SG  :   rot  141:sc=   0.975
USER  MOD Set 1.3: C  35 HIS     :     no HD1:sc=  -0.785  X(o=-4.5,f=-4.3)
USER  MOD Set 1.4: C  38 CYS SG  :   rot -144:sc=   -3.64!
USER  MOD Set 2.1: C  27 CYS SG  :   rot  152:sc=    1.98
USER  MOD Set 2.2: C  30 CYS SG  :   rot  -52:sc=   0.691
USER  MOD Set 2.3: C  53 CYS SG  :   rot -127:sc=   0.748
USER  MOD Set 2.4: C  56 CYS SG  :   rot  150:sc=   0.297
USER  MOD Set 3.1: C  28 THR OG1 :   rot  -68:sc=   0.818
USER  MOD Set 3.2: C  29 HIS     :     no HD1:sc=       0  X(o=0.82,f=0.4)
USER  MOD Single : C  22 THR OG1 :   rot  -71:sc=   0.713
USER  MOD Single : C  39 HIS     :     no HD1:sc=  -0.344  X(o=-0.34,f=-0.016)
USER  MOD Single : C  44 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=  0.0305
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot  -66:sc=    1.12
USER  MOD -----------------------------------------------------------------
ATOM    167  N   ARG C  14       8.098  -0.154  -1.665  1.00  1.06           N
ATOM    168  CA  ARG C  14       8.189   1.288  -1.487  1.00  0.77           C
ATOM    169  C   ARG C  14       6.950   1.963  -2.043  1.00  0.65           C
ATOM    170  O   ARG C  14       6.202   1.366  -2.817  1.00  0.73           O
ATOM    171  CB  ARG C  14       9.421   1.850  -2.204  1.00  0.75           C
ATOM    172  CG  ARG C  14      10.742   1.519  -1.533  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.897   2.225  -2.219  1.00  1.12           C
ATOM    174  NE  ARG C  14      13.144   2.075  -1.477  1.00  1.74           N
ATOM    175  CZ  ARG C  14      14.157   2.937  -1.534  1.00  2.20           C
ATOM    176  NH1 ARG C  14      14.081   4.011  -2.318  1.00  2.19           N
ATOM    177  NH2 ARG C  14      15.247   2.723  -0.805  1.00  3.18           N
ATOM      0  HA  ARG C  14       8.273   1.487  -0.419  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14       9.439   1.466  -3.224  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       9.324   2.933  -2.273  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14      10.704   1.813  -0.484  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      10.905   0.442  -1.557  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      12.022   1.823  -3.225  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      11.663   3.284  -2.326  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      13.246   1.257  -0.876  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.244   4.176  -2.878  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      14.859   4.669  -2.359  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      15.306   1.901  -0.204  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      16.025   3.381  -0.846  1.00  3.18           H   new
ATOM    191  N   CYS C  15       6.747   3.212  -1.654  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.659   4.010  -2.185  1.00  0.46           C
ATOM    193  C   CYS C  15       5.932   4.337  -3.645  1.00  0.42           C
ATOM    194  O   CYS C  15       6.807   5.145  -3.946  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.512   5.296  -1.366  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.374   6.518  -2.061  1.00  0.48           S
ATOM      0  H   CYS C  15       7.327   3.695  -0.968  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       4.728   3.447  -2.119  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.173   5.034  -0.364  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.495   5.756  -1.260  1.00  0.46           H   new
ATOM      0  HG  CYS C  15       4.954   7.681  -2.096  1.00  0.48           H   new
ATOM    201  N   GLY C  16       5.179   3.710  -4.545  1.00  0.56           N
ATOM    202  CA  GLY C  16       5.391   3.896  -5.973  1.00  0.65           C
ATOM    203  C   GLY C  16       5.157   5.326  -6.419  1.00  0.54           C
ATOM    204  O   GLY C  16       5.568   5.726  -7.507  1.00  0.61           O
ATOM      0  H   GLY C  16       4.420   3.071  -4.309  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       6.410   3.603  -6.226  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       4.723   3.234  -6.524  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.494   6.099  -5.574  1.00  0.52           N
ATOM    209  CA  VAL C  17       4.241   7.502  -5.857  1.00  0.65           C
ATOM    210  C   VAL C  17       5.501   8.333  -5.613  1.00  0.66           C
ATOM    211  O   VAL C  17       5.730   9.344  -6.274  1.00  0.86           O
ATOM    212  CB  VAL C  17       3.091   8.042  -4.980  1.00  0.78           C
ATOM    213  CG1 VAL C  17       2.775   9.492  -5.319  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.852   7.172  -5.130  1.00  0.94           C
ATOM      0  H   VAL C  17       4.120   5.776  -4.682  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.953   7.584  -6.905  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       3.415   8.006  -3.940  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       1.961   9.845  -4.685  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       3.659  10.106  -5.150  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       2.478   9.565  -6.365  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       1.052   7.568  -4.505  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.532   7.171  -6.172  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.084   6.153  -4.821  1.00  0.94           H   new
ATOM    224  N   CYS C  18       6.325   7.880  -4.674  1.00  0.55           N
ATOM    225  CA  CYS C  18       7.510   8.629  -4.269  1.00  0.70           C
ATOM    226  C   CYS C  18       8.808   7.959  -4.725  1.00  0.68           C
ATOM    227  O   CYS C  18       9.812   8.628  -4.965  1.00  0.84           O
ATOM    228  CB  CYS C  18       7.529   8.794  -2.749  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.191   9.818  -2.101  1.00  0.82           S
ATOM      0  H   CYS C  18       6.194   6.998  -4.179  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       7.454   9.604  -4.753  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       7.474   7.808  -2.287  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       8.483   9.232  -2.454  1.00  0.82           H   new
ATOM      0  HG  CYS C  18       5.757   9.310  -0.986  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.785   6.637  -4.836  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.998   5.892  -5.123  1.00  0.67           C
ATOM    236  C   GLY C  19      10.793   5.646  -3.858  1.00  0.68           C
ATOM    237  O   GLY C  19      11.887   5.076  -3.886  1.00  0.77           O
ATOM      0  H   GLY C  19       7.947   6.065  -4.732  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.743   4.940  -5.588  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.607   6.443  -5.839  1.00  0.67           H   new
ATOM    241  N   ASP C  20      10.213   6.069  -2.743  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.853   5.999  -1.440  1.00  0.70           C
ATOM    243  C   ASP C  20       9.956   5.230  -0.475  1.00  0.52           C
ATOM    244  O   ASP C  20       8.736   5.188  -0.660  1.00  0.44           O
ATOM    245  CB  ASP C  20      11.107   7.421  -0.925  1.00  0.80           C
ATOM    246  CG  ASP C  20      11.772   7.456   0.433  1.00  1.30           C
ATOM    247  OD1 ASP C  20      11.065   7.302   1.452  1.00  2.10           O
ATOM    248  OD2 ASP C  20      13.002   7.629   0.488  1.00  1.40           O
ATOM      0  H   ASP C  20       9.277   6.474  -2.719  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.807   5.478  -1.519  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      11.732   7.953  -1.642  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20      10.158   7.955  -0.871  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.545   4.614   0.538  1.00  0.55           N
ATOM    254  CA  GLY C  21       9.764   3.819   1.464  1.00  0.51           C
ATOM    255  C   GLY C  21      10.067   4.120   2.918  1.00  0.45           C
ATOM    256  O   GLY C  21       9.908   3.251   3.777  1.00  0.51           O
ATOM      0  H   GLY C  21      11.545   4.649   0.736  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       8.704   3.994   1.277  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21       9.952   2.762   1.272  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.502   5.340   3.209  1.00  0.44           N
ATOM    261  CA  THR C  22      10.752   5.725   4.587  1.00  0.46           C
ATOM    262  C   THR C  22       9.431   6.027   5.284  1.00  0.39           C
ATOM    263  O   THR C  22       8.546   6.674   4.706  1.00  0.41           O
ATOM    264  CB  THR C  22      11.713   6.939   4.707  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.209   7.041   6.050  1.00  1.06           O
ATOM    266  CG2 THR C  22      11.032   8.249   4.330  1.00  0.90           C
ATOM      0  H   THR C  22      10.686   6.068   2.519  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.246   4.884   5.074  1.00  0.46           H   new
ATOM      0  HB  THR C  22      12.534   6.769   4.010  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      11.487   7.334   6.644  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      11.742   9.070   4.429  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      10.683   8.194   3.299  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      10.183   8.422   4.992  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.287   5.513   6.508  1.00  0.41           N
ATOM    275  CA  ASP C  23       8.083   5.727   7.306  1.00  0.45           C
ATOM    276  C   ASP C  23       6.849   5.317   6.515  1.00  0.38           C
ATOM    277  O   ASP C  23       5.828   6.006   6.518  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.979   7.196   7.735  1.00  0.59           C
ATOM    279  CG  ASP C  23       9.164   7.646   8.564  1.00  1.39           C
ATOM    280  OD1 ASP C  23      10.231   7.939   7.981  1.00  2.23           O
ATOM    281  OD2 ASP C  23       9.040   7.711   9.807  1.00  1.75           O
ATOM      0  H   ASP C  23       9.996   4.942   6.968  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       8.145   5.110   8.202  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       7.901   7.825   6.848  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       7.063   7.339   8.309  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.954   4.180   5.845  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.926   3.746   4.920  1.00  0.31           C
ATOM    288  C   VAL C  24       4.869   2.922   5.645  1.00  0.32           C
ATOM    289  O   VAL C  24       5.157   2.262   6.647  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.538   2.927   3.755  1.00  0.36           C
ATOM    291  CG1 VAL C  24       6.890   1.509   4.184  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.615   2.922   2.553  1.00  1.16           C
ATOM      0  H   VAL C  24       7.745   3.541   5.927  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.452   4.634   4.502  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.468   3.416   3.466  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.316   0.968   3.339  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.617   1.544   4.996  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       5.990   0.998   4.525  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       6.067   2.341   1.749  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       4.660   2.476   2.830  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.453   3.945   2.214  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.641   2.990   5.159  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.554   2.240   5.751  1.00  0.30           C
ATOM    304  C   LEU C  25       2.381   0.915   5.025  1.00  0.30           C
ATOM    305  O   LEU C  25       2.548   0.832   3.807  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.256   3.055   5.704  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.278   4.356   6.510  1.00  0.37           C
ATOM    308  CD1 LEU C  25      -0.034   5.099   6.351  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.549   4.073   7.979  1.00  0.48           C
ATOM      0  H   LEU C  25       3.375   3.559   4.355  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.792   2.037   6.795  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       1.032   3.293   4.664  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.440   2.432   6.071  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       2.083   4.983   6.126  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25      -0.002   6.022   6.930  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.193   5.336   5.299  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.852   4.474   6.709  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.561   5.011   8.534  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.766   3.426   8.375  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.515   3.578   8.082  1.00  0.48           H   new
ATOM    321  N   ARG C  26       2.055  -0.113   5.785  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.890  -1.453   5.249  1.00  0.33           C
ATOM    323  C   ARG C  26       0.427  -1.854   5.266  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.308  -1.503   6.193  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.704  -2.443   6.080  1.00  0.42           C
ATOM    326  CG  ARG C  26       4.205  -2.240   5.976  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.729  -2.646   4.609  1.00  0.95           C
ATOM    328  NE  ARG C  26       4.461  -4.056   4.323  1.00  1.64           N
ATOM    329  CZ  ARG C  26       5.006  -4.732   3.314  1.00  2.21           C
ATOM    330  NH1 ARG C  26       5.873  -4.143   2.500  1.00  2.24           N
ATOM    331  NH2 ARG C  26       4.693  -6.007   3.129  1.00  3.18           N
ATOM      0  H   ARG C  26       1.897  -0.044   6.790  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.245  -1.464   4.218  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.406  -2.357   7.125  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.461  -3.457   5.762  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.445  -1.193   6.163  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.706  -2.825   6.747  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.266  -2.025   3.843  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       5.802  -2.463   4.562  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       3.815  -4.553   4.936  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       6.126  -3.166   2.645  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       6.286  -4.668   1.729  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       4.036  -6.467   3.759  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       5.109  -6.527   2.357  1.00  3.18           H   new
ATOM    345  N   CYS C  27       0.005  -2.580   4.241  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.361  -3.070   4.176  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.539  -4.213   5.170  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.610  -4.978   5.425  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.708  -3.534   2.755  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.488  -3.641   2.453  1.00  0.37           S
ATOM      0  H   CYS C  27       0.588  -2.841   3.446  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.040  -2.258   4.437  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.265  -2.844   2.037  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.257  -4.511   2.579  1.00  0.29           H   new
ATOM      0  HG  CYS C  27      -3.726  -3.451   1.189  1.00  0.37           H   new
ATOM    355  N   THR C  28      -2.723  -4.298   5.753  1.00  0.25           N
ATOM    356  CA  THR C  28      -3.016  -5.328   6.737  1.00  0.31           C
ATOM    357  C   THR C  28      -3.597  -6.577   6.086  1.00  0.33           C
ATOM    358  O   THR C  28      -3.331  -7.695   6.518  1.00  0.44           O
ATOM    359  CB  THR C  28      -4.003  -4.806   7.793  1.00  0.39           C
ATOM    360  OG1 THR C  28      -5.103  -4.151   7.145  1.00  0.75           O
ATOM    361  CG2 THR C  28      -3.318  -3.839   8.744  1.00  0.72           C
ATOM      0  H   THR C  28      -3.499  -3.665   5.562  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -2.072  -5.590   7.215  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -4.371  -5.654   8.371  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -4.787  -3.330   6.714  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -4.037  -3.484   9.482  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -2.498  -4.347   9.252  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.926  -2.991   8.181  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.378  -6.382   5.033  1.00  0.31           N
ATOM    370  CA  HIS C  29      -5.044  -7.499   4.371  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.170  -8.091   3.276  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.451  -9.175   2.769  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.394  -7.069   3.796  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.472  -6.938   4.828  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.550  -7.790   4.896  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.639  -6.044   5.832  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -9.332  -7.429   5.894  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.802  -6.372   6.480  1.00  1.43           N
ATOM      0  H   HIS C  29      -4.566  -5.469   4.620  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.217  -8.269   5.123  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -6.274  -6.114   3.285  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.707  -7.795   3.046  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -6.979  -5.225   6.077  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29     -10.251  -7.916   6.183  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -9.193  -5.880   7.283  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -3.124  -7.373   2.899  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.165  -7.886   1.935  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.800  -7.248   2.184  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.613  -6.547   3.176  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.641  -7.622   0.499  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.225  -5.988  -0.147  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.918  -6.436   3.245  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.078  -8.965   2.059  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.209  -8.378  -0.157  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.723  -7.748   0.461  1.00  0.42           H   new
ATOM      0  HG  CYS C  30      -2.625  -5.076   0.689  1.00  0.79           H   new
ATOM    397  N   ALA C  31       0.136  -7.476   1.281  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.473  -6.927   1.405  1.00  0.37           C
ATOM    399  C   ALA C  31       1.647  -5.749   0.461  1.00  0.36           C
ATOM    400  O   ALA C  31       1.591  -5.909  -0.758  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.517  -7.997   1.122  1.00  0.47           C
ATOM      0  H   ALA C  31      -0.008  -8.044   0.446  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.612  -6.576   2.428  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.514  -7.567   1.220  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.403  -8.814   1.834  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.383  -8.377   0.109  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.847  -4.568   1.026  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.014  -3.359   0.234  1.00  0.35           C
ATOM    409  C   ALA C  32       2.651  -2.257   1.064  1.00  0.33           C
ATOM    410  O   ALA C  32       2.382  -2.139   2.261  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.675  -2.891  -0.322  1.00  0.37           C
ATOM      0  H   ALA C  32       1.898  -4.421   2.034  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.675  -3.591  -0.601  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.822  -1.986  -0.911  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.251  -3.671  -0.955  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32      -0.008  -2.681   0.501  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.497  -1.469   0.422  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.143  -0.335   1.060  1.00  0.38           C
ATOM    419  C   ALA C  33       3.714   0.952   0.372  1.00  0.37           C
ATOM    420  O   ALA C  33       4.020   1.177  -0.799  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.655  -0.495   1.012  1.00  0.45           C
ATOM      0  H   ALA C  33       3.755  -1.598  -0.556  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.840  -0.290   2.106  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.127   0.361   1.493  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.941  -1.408   1.534  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       5.982  -0.553  -0.026  1.00  0.45           H   new
ATOM    427  N   PHE C  34       2.984   1.785   1.092  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.479   3.027   0.531  1.00  0.36           C
ATOM    429  C   PHE C  34       2.360   4.094   1.608  1.00  0.32           C
ATOM    430  O   PHE C  34       2.240   3.782   2.789  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.114   2.792  -0.130  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.045   2.298   0.812  1.00  0.47           C
ATOM    433  CD1 PHE C  34      -0.049   0.953   1.130  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.860   3.182   1.381  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -1.025   0.498   1.995  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.837   2.732   2.248  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.932   1.387   2.542  1.00  0.61           C
ATOM      0  H   PHE C  34       2.727   1.625   2.066  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.184   3.375  -0.224  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       0.778   3.724  -0.585  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.234   2.069  -0.937  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.649   0.252   0.697  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.800   4.234   1.144  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -1.080  -0.551   2.244  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.526   3.433   2.696  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.713   1.030   3.197  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.420   5.350   1.201  1.00  0.32           N
ATOM    448  CA  HIS C  35       2.164   6.447   2.119  1.00  0.32           C
ATOM    449  C   HIS C  35       0.693   6.822   2.035  1.00  0.33           C
ATOM    450  O   HIS C  35       0.156   6.915   0.928  1.00  0.36           O
ATOM    451  CB  HIS C  35       3.022   7.680   1.795  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.503   7.438   1.775  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.316   8.107   0.898  1.00  0.42           N
ATOM    454  CD2 HIS C  35       5.261   6.614   2.535  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.541   7.682   1.132  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.564   6.772   2.124  1.00  0.42           N
ATOM      0  H   HIS C  35       2.642   5.635   0.247  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.425   6.118   3.125  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.720   8.068   0.822  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.806   8.456   2.529  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.909   5.957   3.316  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.415   8.021   0.596  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.385   6.295   2.497  1.00  0.42           H   new
ATOM    464  N   TRP C  36       0.042   7.004   3.178  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.395   7.285   3.210  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.760   8.413   2.244  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.605   8.235   1.366  1.00  0.37           O
ATOM    468  CB  TRP C  36      -1.838   7.646   4.634  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.323   7.803   4.780  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.008   8.961   5.002  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.307   6.766   4.711  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.355   8.708   5.074  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.563   7.368   4.897  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.246   5.386   4.509  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -6.747   6.639   4.885  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.421   4.663   4.498  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.657   5.290   4.685  1.00  0.68           C
ATOM      0  H   TRP C  36       0.483   6.963   4.097  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -1.919   6.383   2.893  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.494   6.872   5.320  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.352   8.575   4.932  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.556   9.936   5.106  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.082   9.405   5.233  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.296   4.893   4.364  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -7.703   7.121   5.028  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.386   3.595   4.342  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.559   4.696   4.671  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.069   9.542   2.380  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.356  10.740   1.588  1.00  0.44           C
ATOM    490  C   ARG C  37      -1.198  10.482   0.089  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.872  11.098  -0.737  1.00  0.51           O
ATOM    492  CB  ARG C  37      -0.419  11.878   1.995  1.00  0.61           C
ATOM    493  CG  ARG C  37      -0.368  12.136   3.492  1.00  0.70           C
ATOM    494  CD  ARG C  37       0.630  13.230   3.826  1.00  1.05           C
ATOM    495  NE  ARG C  37       0.883  13.322   5.261  1.00  1.72           N
ATOM    496  CZ  ARG C  37       1.455  14.369   5.850  1.00  2.32           C
ATOM    497  NH1 ARG C  37       1.791  15.440   5.137  1.00  2.37           N
ATOM    498  NH2 ARG C  37       1.688  14.343   7.156  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.298   9.654   3.038  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.392  11.016   1.785  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.587  11.650   1.642  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -0.734  12.791   1.490  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -1.358  12.422   3.849  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.094  11.219   4.013  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       1.567  13.037   3.305  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37       0.254  14.186   3.462  1.00  1.05           H   new
ATOM      0  HE  ARG C  37       0.604  12.536   5.848  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       1.610  15.462   4.133  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       2.229  16.240   5.594  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37       1.429  13.523   7.704  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       2.126  15.143   7.612  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.306   9.568  -0.252  1.00  0.37           N
ATOM    513  CA  CYS C  38       0.024   9.297  -1.642  1.00  0.36           C
ATOM    514  C   CYS C  38      -1.010   8.387  -2.294  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.140   8.351  -3.517  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.410   8.667  -1.719  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.671   9.619  -0.848  1.00  0.54           S
ATOM      0  H   CYS C  38       0.207   8.997   0.420  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.020  10.240  -2.189  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.369   7.661  -1.300  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.698   8.565  -2.765  1.00  0.34           H   new
ATOM      0  HG  CYS C  38       3.796   9.542  -1.494  1.00  0.54           H   new
ATOM    522  N   HIS C  39      -1.735   7.641  -1.479  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.731   6.712  -1.991  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.145   7.227  -1.757  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.048   6.964  -2.549  1.00  0.61           O
ATOM    526  CB  HIS C  39      -2.558   5.343  -1.338  1.00  0.43           C
ATOM    527  CG  HIS C  39      -1.850   4.347  -2.204  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.401   3.134  -2.545  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.623   4.376  -2.779  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.545   2.455  -3.287  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.458   3.187  -3.447  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.654   7.659  -0.462  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.580   6.620  -3.067  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.003   5.462  -0.408  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -3.540   4.949  -1.075  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39       0.092   5.184  -2.723  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -1.707   1.468  -3.694  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.368   2.915  -3.979  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.329   7.962  -0.674  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.645   8.451  -0.290  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.617   9.960  -0.069  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.636  10.505   0.444  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.115   7.748   0.989  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.299   6.263   0.836  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -5.238   5.398   1.045  1.00  0.55           C
ATOM    547  CD2 PHE C  40      -7.531   5.734   0.486  1.00  0.71           C
ATOM    548  CE1 PHE C  40      -5.403   4.034   0.906  1.00  0.66           C
ATOM    549  CE2 PHE C  40      -7.700   4.370   0.346  1.00  0.80           C
ATOM    550  CZ  PHE C  40      -6.638   3.522   0.550  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.579   8.236  -0.040  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.342   8.231  -1.099  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.390   7.935   1.782  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.059   8.190   1.309  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -4.272   5.794   1.320  1.00  0.55           H   new
ATOM      0  HD2 PHE C  40      -8.369   6.395   0.321  1.00  0.71           H   new
ATOM      0  HE1 PHE C  40      -4.570   3.368   1.075  1.00  0.66           H   new
ATOM      0  HE2 PHE C  40      -8.666   3.970   0.076  1.00  0.80           H   new
ATOM      0  HZ  PHE C  40      -6.767   2.456   0.432  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.689  10.655  -0.480  1.00  0.89           N
ATOM    561  CA  PRO C  41      -6.846  12.087  -0.234  1.00  1.04           C
ATOM    562  C   PRO C  41      -7.010  12.382   1.254  1.00  1.30           C
ATOM    563  O   PRO C  41      -7.484  11.541   2.022  1.00  1.93           O
ATOM    564  CB  PRO C  41      -8.123  12.449  -0.998  1.00  1.81           C
ATOM    565  CG  PRO C  41      -8.870  11.170  -1.123  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.826  10.097  -1.227  1.00  1.43           C
ATOM      0  HA  PRO C  41      -5.977  12.661  -0.555  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -8.707  13.196  -0.460  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -7.892  12.869  -1.977  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -9.514  11.007  -0.259  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -9.513  11.177  -2.003  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -8.170   9.158  -0.793  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -7.563   9.891  -2.265  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -6.629  13.592   1.638  1.00  1.64           N
ATOM    575  CA  ALA C  42      -6.573  13.997   3.043  1.00  2.34           C
ATOM    576  C   ALA C  42      -7.942  13.955   3.714  1.00  1.92           C
ATOM    577  O   ALA C  42      -8.034  13.934   4.942  1.00  2.41           O
ATOM    578  CB  ALA C  42      -5.975  15.391   3.162  1.00  3.30           C
ATOM      0  H   ALA C  42      -6.349  14.325   0.986  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -5.937  13.280   3.561  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -5.938  15.683   4.212  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -4.966  15.390   2.750  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -6.592  16.100   2.610  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -8.999  13.948   2.909  1.00  1.37           N
ATOM    585  CA  GLY C  43     -10.343  13.857   3.444  1.00  1.46           C
ATOM    586  C   GLY C  43     -10.673  12.464   3.948  1.00  1.21           C
ATOM    587  O   GLY C  43     -11.669  12.266   4.643  1.00  1.41           O
ATOM      0  H   GLY C  43      -8.947  14.004   1.892  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43     -10.455  14.571   4.260  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43     -11.058  14.140   2.672  1.00  1.46           H   new
ATOM    591  N   THR C  44      -9.840  11.497   3.595  1.00  0.90           N
ATOM    592  CA  THR C  44     -10.022  10.135   4.058  1.00  0.76           C
ATOM    593  C   THR C  44      -9.327   9.951   5.404  1.00  0.65           C
ATOM    594  O   THR C  44      -8.158  10.317   5.569  1.00  0.73           O
ATOM    595  CB  THR C  44      -9.465   9.122   3.038  1.00  0.83           C
ATOM    596  OG1 THR C  44      -9.957   9.437   1.728  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.876   7.701   3.401  1.00  0.99           C
ATOM      0  H   THR C  44      -9.031  11.633   2.989  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -11.091   9.952   4.170  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -8.377   9.185   3.053  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -9.600   8.793   1.081  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.470   7.006   2.666  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.489   7.451   4.389  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.963   7.627   3.408  1.00  0.99           H   new
ATOM    605  N   SER C  45     -10.041   9.384   6.359  1.00  0.67           N
ATOM    606  CA  SER C  45      -9.524   9.236   7.705  1.00  0.69           C
ATOM    607  C   SER C  45      -8.752   7.931   7.824  1.00  0.61           C
ATOM    608  O   SER C  45      -9.164   6.905   7.276  1.00  0.66           O
ATOM    609  CB  SER C  45     -10.678   9.268   8.711  1.00  0.91           C
ATOM    610  OG  SER C  45     -10.207   9.221  10.047  1.00  1.60           O
ATOM      0  H   SER C  45     -10.984   9.018   6.226  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -8.847  10.062   7.922  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -11.265  10.174   8.563  1.00  0.91           H   new
ATOM      0  HB3 SER C  45     -11.343   8.424   8.529  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -10.969   9.245  10.663  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -7.617   7.983   8.513  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.779   6.808   8.694  1.00  0.70           C
ATOM    618  C   ARG C  46      -7.477   5.801   9.604  1.00  0.82           C
ATOM    619  O   ARG C  46      -7.717   6.080  10.779  1.00  0.97           O
ATOM    620  CB  ARG C  46      -5.421   7.201   9.280  1.00  0.86           C
ATOM    621  CG  ARG C  46      -4.415   6.061   9.300  1.00  1.10           C
ATOM    622  CD  ARG C  46      -3.085   6.495   9.895  1.00  1.09           C
ATOM    623  NE  ARG C  46      -2.516   7.648   9.197  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -1.209   7.893   9.095  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -0.323   7.051   9.616  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -0.792   8.981   8.464  1.00  2.68           N
ATOM      0  H   ARG C  46      -7.258   8.829   8.955  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.613   6.347   7.720  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -5.010   8.027   8.700  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -5.565   7.566  10.297  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -4.818   5.230   9.878  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -4.258   5.696   8.285  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -3.223   6.742  10.948  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -2.382   5.663   9.852  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -3.160   8.307   8.760  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -0.641   6.210  10.098  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       0.675   7.245   9.534  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -1.470   9.627   8.059  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46       0.207   9.173   8.383  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.817   4.625   9.061  1.00  0.82           N
ATOM    641  CA  PRO C  47      -8.559   3.592   9.791  1.00  1.01           C
ATOM    642  C   PRO C  47      -7.756   2.986  10.937  1.00  1.13           C
ATOM    643  O   PRO C  47      -6.563   2.705  10.802  1.00  1.14           O
ATOM    644  CB  PRO C  47      -8.843   2.533   8.723  1.00  1.02           C
ATOM    645  CG  PRO C  47      -7.779   2.730   7.702  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.503   4.205   7.684  1.00  0.70           C
ATOM      0  HA  PRO C  47      -9.455   3.999  10.260  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -8.807   1.528   9.143  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -9.835   2.663   8.291  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -6.882   2.167   7.958  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.106   2.381   6.723  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.466   4.417   7.425  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -8.126   4.722   6.954  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -8.423   2.784  12.064  1.00  1.31           N
ATOM    655  CA  GLY C  48      -7.787   2.169  13.210  1.00  1.49           C
ATOM    656  C   GLY C  48      -7.986   0.669  13.226  1.00  1.61           C
ATOM    657  O   GLY C  48      -7.420  -0.036  14.060  1.00  1.90           O
ATOM      0  H   GLY C  48      -9.401   3.037  12.205  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -6.721   2.394  13.198  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -8.193   2.599  14.125  1.00  1.49           H   new
ATOM    661  N   THR C  49      -8.780   0.181  12.285  1.00  1.53           N
ATOM    662  CA  THR C  49      -9.066  -1.240  12.181  1.00  1.70           C
ATOM    663  C   THR C  49      -8.036  -1.942  11.306  1.00  1.25           C
ATOM    664  O   THR C  49      -7.991  -3.170  11.239  1.00  1.89           O
ATOM    665  CB  THR C  49     -10.474  -1.469  11.602  1.00  2.25           C
ATOM    666  OG1 THR C  49     -10.682  -0.607  10.471  1.00  2.72           O
ATOM    667  CG2 THR C  49     -11.541  -1.205  12.652  1.00  2.75           C
ATOM      0  H   THR C  49      -9.240   0.754  11.578  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -9.019  -1.661  13.185  1.00  1.70           H   new
ATOM      0  HB  THR C  49     -10.551  -2.509  11.286  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -11.579  -0.758  10.105  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -12.527  -1.373  12.219  1.00  2.75           H   new
ATOM      0 HG22 THR C  49     -11.395  -1.879  13.496  1.00  2.75           H   new
ATOM      0 HG23 THR C  49     -11.467  -0.173  12.995  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -7.203  -1.155  10.640  1.00  0.82           N
ATOM    676  CA  GLY C  50      -6.175  -1.719   9.795  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.003  -0.945   8.507  1.00  0.57           C
ATOM    678  O   GLY C  50      -6.985  -0.535   7.886  1.00  0.60           O
ATOM      0  H   GLY C  50      -7.222  -0.136  10.671  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -5.229  -1.733  10.337  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -6.425  -2.754   9.564  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -4.755  -0.728   8.121  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.435  -0.055   6.868  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.805  -0.930   5.678  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.362  -2.074   5.573  1.00  0.33           O
ATOM    686  CB  LEU C  51      -2.942   0.285   6.822  1.00  0.50           C
ATOM    687  CG  LEU C  51      -2.581   1.748   7.099  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.930   2.611   5.903  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -3.293   2.263   8.341  1.00  0.86           C
ATOM      0  H   LEU C  51      -3.938  -1.011   8.663  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.015   0.867   6.814  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -2.424  -0.341   7.549  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.558   0.016   5.838  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -1.507   1.802   7.276  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.668   3.648   6.114  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.374   2.266   5.031  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.999   2.540   5.703  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -3.018   3.304   8.513  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -4.371   2.192   8.198  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.001   1.663   9.203  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.631  -0.399   4.793  1.00  0.32           N
ATOM    702  CA  ARG C  52      -6.044  -1.125   3.603  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.641  -0.360   2.350  1.00  0.32           C
ATOM    704  O   ARG C  52      -6.004   0.803   2.179  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.557  -1.351   3.613  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.047  -2.221   4.757  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.563  -2.335   4.748  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.207  -1.044   4.977  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.382  -0.694   4.458  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -12.034  -1.526   3.653  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -11.899   0.494   4.738  1.00  2.65           N
ATOM      0  H   ARG C  52      -6.030   0.536   4.876  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.545  -2.094   3.601  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -8.057  -0.384   3.666  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.851  -1.811   2.669  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.604  -3.214   4.678  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -7.717  -1.799   5.706  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.891  -2.740   3.791  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.879  -3.040   5.517  1.00  0.79           H   new
ATOM      0  HE  ARG C  52      -9.727  -0.369   5.572  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.635  -2.438   3.430  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -12.934  -1.253   3.258  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -11.397   1.137   5.350  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -12.799   0.765   4.342  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.889  -1.019   1.479  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.428  -0.400   0.244  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.586  -0.253  -0.745  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.715  -0.640  -0.439  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.308  -1.231  -0.380  1.00  0.47           C
ATOM    730  SG  CYS C  53      -3.878  -2.756  -1.163  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.585  -1.984   1.605  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -4.041   0.592   0.479  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -2.789  -0.625  -1.123  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.580  -1.481   0.392  1.00  0.47           H   new
ATOM      0  HG  CYS C  53      -3.201  -3.763  -0.697  1.00  0.49           H   new
ATOM    735  N   ARG C  54      -5.285   0.254  -1.941  1.00  0.58           N
ATOM    736  CA  ARG C  54      -6.303   0.598  -2.935  1.00  0.68           C
ATOM    737  C   ARG C  54      -7.243  -0.574  -3.220  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.461  -0.416  -3.193  1.00  0.68           O
ATOM    739  CB  ARG C  54      -5.630   1.055  -4.233  1.00  0.87           C
ATOM    740  CG  ARG C  54      -6.598   1.501  -5.319  1.00  1.28           C
ATOM    741  CD  ARG C  54      -7.457   2.670  -4.866  1.00  1.82           C
ATOM    742  NE  ARG C  54      -8.341   3.145  -5.929  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -9.563   3.636  -5.720  1.00  3.20           C
ATOM    744  NH1 ARG C  54     -10.064   3.685  -4.491  1.00  3.47           N
ATOM    745  NH2 ARG C  54     -10.286   4.075  -6.744  1.00  4.09           N
ATOM      0  H   ARG C  54      -4.330   0.438  -2.248  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -6.904   1.410  -2.525  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -4.953   1.878  -4.006  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -5.021   0.238  -4.619  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -6.038   1.785  -6.210  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -7.240   0.666  -5.599  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -8.054   2.369  -4.005  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -6.814   3.486  -4.538  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -8.002   3.098  -6.890  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -9.514   3.346  -3.702  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54     -10.999   4.061  -4.336  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -9.906   4.036  -7.690  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54     -11.221   4.451  -6.584  1.00  4.09           H   new
ATOM    759  N   SER C  55      -6.671  -1.743  -3.479  1.00  0.62           N
ATOM    760  CA  SER C  55      -7.460  -2.923  -3.809  1.00  0.65           C
ATOM    761  C   SER C  55      -8.258  -3.417  -2.600  1.00  0.60           C
ATOM    762  O   SER C  55      -9.430  -3.773  -2.721  1.00  0.68           O
ATOM    763  CB  SER C  55      -6.545  -4.037  -4.318  1.00  0.72           C
ATOM    764  OG  SER C  55      -5.717  -3.577  -5.375  1.00  1.54           O
ATOM      0  H   SER C  55      -5.663  -1.899  -3.467  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -8.167  -2.646  -4.591  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -5.925  -4.404  -3.500  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -7.148  -4.877  -4.663  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -5.141  -4.308  -5.681  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.627  -3.420  -1.432  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.252  -3.968  -0.234  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.378  -3.070   0.295  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.320  -3.554   0.920  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.200  -4.214   0.850  1.00  0.50           C
ATOM    775  SG  CYS C  56      -5.965  -5.465   0.408  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.687  -3.051  -1.289  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.706  -4.920  -0.509  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.690  -3.275   1.067  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.703  -4.522   1.767  1.00  0.50           H   new
ATOM      0  HG  CYS C  56      -4.837  -5.186   0.990  1.00  0.65           H   new
ATOM    780  N   SER C  57      -9.290  -1.769   0.046  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.327  -0.844   0.494  1.00  0.74           C
ATOM    782  C   SER C  57     -11.158  -0.341  -0.683  1.00  0.89           C
ATOM    783  O   SER C  57     -11.953   0.592  -0.546  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.695   0.337   1.233  1.00  0.78           C
ATOM    785  OG  SER C  57      -8.722   0.982   0.427  1.00  1.25           O
ATOM      0  H   SER C  57      -8.519  -1.332  -0.459  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.989  -1.379   1.175  1.00  0.74           H   new
ATOM      0  HB2 SER C  57     -10.470   1.050   1.514  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -9.233  -0.013   2.156  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -7.967   0.376   0.278  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -10.981  -0.967  -1.836  1.00  0.86           N
ATOM    792  CA  GLY C  58     -11.644  -0.500  -3.034  1.00  1.06           C
ATOM    793  C   GLY C  58     -12.624  -1.505  -3.588  1.00  1.50           C
ATOM    794  O   GLY C  58     -12.906  -2.525  -2.956  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.391  -1.789  -1.963  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -12.169   0.430  -2.815  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -10.896  -0.272  -3.793  1.00  1.06           H   new