USER  MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=16
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 -166:sc=   0.561
USER  MOD Set 1.2: C  18 CYS SG  :   rot  -67:sc=   0.729
USER  MOD Set 1.3: C  35 HIS     :     no HD1:sc=   0.759  K(o=0.54,f=-3.9!)
USER  MOD Set 1.4: C  38 CYS SG  :   rot -161:sc=   -1.51!
USER  MOD Set 2.1: C  27 CYS SG  :   rot  149:sc=    1.98
USER  MOD Set 2.2: C  30 CYS SG  :   rot  -56:sc=   0.664
USER  MOD Set 2.3: C  53 CYS SG  :   rot -130:sc=   0.886
USER  MOD Set 2.4: C  56 CYS SG  :   rot  143:sc=   0.243
USER  MOD Single : C  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  28 THR OG1 :   rot  -23:sc=    0.37
USER  MOD Single : C  29 HIS     :FLIP no HD1:sc=  -0.182  F(o=-0.9,f=-0.18)
USER  MOD Single : C  39 HIS     :FLIP no HD1:sc=  -0.162  F(o=-0.7,f=-0.16)
USER  MOD Single : C  44 THR OG1 :   rot   78:sc=   0.546
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=  0.0127
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM    167  N   ARG C  14       8.752  -0.330  -0.490  1.00  1.06           N
ATOM    168  CA  ARG C  14       8.867   1.067  -0.866  1.00  0.77           C
ATOM    169  C   ARG C  14       7.546   1.559  -1.434  1.00  0.65           C
ATOM    170  O   ARG C  14       6.881   0.840  -2.180  1.00  0.73           O
ATOM    171  CB  ARG C  14       9.974   1.239  -1.909  1.00  0.75           C
ATOM    172  CG  ARG C  14      10.165   2.675  -2.376  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.127   2.753  -3.549  1.00  1.12           C
ATOM    174  NE  ARG C  14      12.425   2.160  -3.233  1.00  1.74           N
ATOM    175  CZ  ARG C  14      13.383   1.941  -4.132  1.00  2.20           C
ATOM    176  NH1 ARG C  14      13.188   2.265  -5.405  1.00  2.19           N
ATOM    177  NH2 ARG C  14      14.537   1.400  -3.759  1.00  3.18           N
ATOM      0  HA  ARG C  14       9.117   1.652   0.019  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14      10.913   0.876  -1.491  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       9.746   0.614  -2.772  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14       9.202   3.096  -2.665  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      10.544   3.280  -1.552  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      10.694   2.240  -4.408  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      11.265   3.795  -3.836  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      12.608   1.898  -2.264  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      12.304   2.682  -5.695  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      13.923   2.097  -6.092  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      14.691   1.151  -2.782  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      15.269   1.233  -4.450  1.00  3.18           H   new
ATOM    191  N   CYS C  15       7.164   2.774  -1.075  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.962   3.383  -1.617  1.00  0.46           C
ATOM    193  C   CYS C  15       6.242   3.866  -3.037  1.00  0.42           C
ATOM    194  O   CYS C  15       6.886   4.899  -3.242  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.528   4.535  -0.704  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.162   5.553  -1.310  1.00  0.48           S
ATOM      0  H   CYS C  15       7.670   3.358  -0.409  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       5.149   2.658  -1.660  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.244   4.119   0.263  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.389   5.181  -0.533  1.00  0.46           H   new
ATOM      0  HG  CYS C  15       4.091   6.646  -0.609  1.00  0.48           H   new
ATOM    201  N   GLY C  16       5.736   3.118  -4.011  1.00  0.56           N
ATOM    202  CA  GLY C  16       6.044   3.383  -5.404  1.00  0.65           C
ATOM    203  C   GLY C  16       5.203   4.492  -5.987  1.00  0.54           C
ATOM    204  O   GLY C  16       5.347   4.844  -7.157  1.00  0.61           O
ATOM      0  H   GLY C  16       5.112   2.326  -3.858  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       7.098   3.646  -5.495  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       5.891   2.473  -5.985  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.320   5.041  -5.172  1.00  0.52           N
ATOM    209  CA  VAL C  17       3.470   6.135  -5.603  1.00  0.65           C
ATOM    210  C   VAL C  17       4.261   7.440  -5.632  1.00  0.66           C
ATOM    211  O   VAL C  17       3.974   8.339  -6.419  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.252   6.292  -4.676  1.00  0.78           C
ATOM    213  CG1 VAL C  17       1.274   7.315  -5.233  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.569   4.951  -4.464  1.00  0.94           C
ATOM      0  H   VAL C  17       4.173   4.746  -4.207  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.114   5.904  -6.607  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       2.602   6.655  -3.710  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       0.422   7.408  -4.560  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       1.771   8.281  -5.325  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       0.928   6.990  -6.214  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.710   5.080  -3.806  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.235   4.557  -5.424  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.272   4.252  -4.010  1.00  0.94           H   new
ATOM    224  N   CYS C  18       5.265   7.535  -4.774  1.00  0.55           N
ATOM    225  CA  CYS C  18       6.113   8.714  -4.738  1.00  0.70           C
ATOM    226  C   CYS C  18       7.551   8.343  -5.096  1.00  0.68           C
ATOM    227  O   CYS C  18       8.148   8.934  -5.997  1.00  0.84           O
ATOM    228  CB  CYS C  18       6.047   9.387  -3.363  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.532   8.322  -1.987  1.00  0.82           S
ATOM      0  H   CYS C  18       5.511   6.813  -4.097  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       5.749   9.427  -5.478  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       6.692  10.266  -3.371  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       5.030   9.739  -3.193  1.00  0.82           H   new
ATOM      0  HG  CYS C  18       5.654   7.374  -1.841  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.087   7.337  -4.417  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.442   6.901  -4.686  1.00  0.67           C
ATOM    236  C   GLY C  19      10.229   6.632  -3.420  1.00  0.68           C
ATOM    237  O   GLY C  19      11.297   6.026  -3.466  1.00  0.77           O
ATOM      0  H   GLY C  19       7.606   6.815  -3.684  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.415   5.995  -5.292  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19       9.955   7.662  -5.274  1.00  0.67           H   new
ATOM    241  N   ASP C  20       9.702   7.073  -2.286  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.396   6.903  -1.014  1.00  0.70           C
ATOM    243  C   ASP C  20       9.782   5.790  -0.182  1.00  0.52           C
ATOM    244  O   ASP C  20       8.587   5.506  -0.281  1.00  0.44           O
ATOM    245  CB  ASP C  20      10.397   8.208  -0.215  1.00  0.80           C
ATOM    246  CG  ASP C  20      11.497   9.152  -0.651  1.00  1.30           C
ATOM    247  OD1 ASP C  20      12.645   8.984  -0.186  1.00  1.40           O
ATOM    248  OD2 ASP C  20      11.223  10.072  -1.454  1.00  2.10           O
ATOM      0  H   ASP C  20       8.802   7.548  -2.219  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.424   6.626  -1.246  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20       9.432   8.702  -0.330  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20      10.515   7.982   0.845  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.610   5.162   0.642  1.00  0.55           N
ATOM    254  CA  GLY C  21      10.146   4.094   1.500  1.00  0.51           C
ATOM    255  C   GLY C  21      10.213   4.477   2.964  1.00  0.45           C
ATOM    256  O   GLY C  21      10.173   3.621   3.842  1.00  0.51           O
ATOM      0  H   GLY C  21      11.603   5.377   0.730  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       9.119   3.838   1.238  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      10.750   3.203   1.330  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.318   5.774   3.223  1.00  0.44           N
ATOM    261  CA  THR C  22      10.395   6.275   4.585  1.00  0.46           C
ATOM    262  C   THR C  22       9.017   6.270   5.246  1.00  0.39           C
ATOM    263  O   THR C  22       8.107   6.975   4.800  1.00  0.41           O
ATOM    264  CB  THR C  22      10.973   7.702   4.601  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.223   7.722   3.896  1.00  1.06           O
ATOM    266  CG2 THR C  22      11.181   8.197   6.024  1.00  0.90           C
ATOM      0  H   THR C  22      10.352   6.498   2.505  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.055   5.615   5.148  1.00  0.46           H   new
ATOM      0  HB  THR C  22      10.260   8.365   4.111  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.589   8.631   3.905  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      11.590   9.207   6.002  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      10.226   8.204   6.550  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      11.876   7.536   6.541  1.00  0.90           H   new
ATOM    274  N   ASP C  23       8.877   5.462   6.303  1.00  0.41           N
ATOM    275  CA  ASP C  23       7.625   5.357   7.058  1.00  0.45           C
ATOM    276  C   ASP C  23       6.469   4.979   6.138  1.00  0.38           C
ATOM    277  O   ASP C  23       5.545   5.760   5.913  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.325   6.670   7.799  1.00  0.59           C
ATOM    279  CG  ASP C  23       6.056   6.612   8.635  1.00  1.39           C
ATOM    280  OD1 ASP C  23       5.964   5.755   9.537  1.00  1.75           O
ATOM    281  OD2 ASP C  23       5.142   7.437   8.400  1.00  2.23           O
ATOM      0  H   ASP C  23       9.625   4.866   6.657  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       7.740   4.567   7.800  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       8.167   6.915   8.446  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       7.236   7.477   7.072  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.538   3.781   5.582  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.493   3.303   4.694  1.00  0.31           C
ATOM    288  C   VAL C  24       4.466   2.476   5.453  1.00  0.32           C
ATOM    289  O   VAL C  24       4.810   1.626   6.277  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.053   2.472   3.517  1.00  0.36           C
ATOM    291  CG1 VAL C  24       6.848   3.355   2.572  1.00  1.14           C
ATOM    292  CG2 VAL C  24       6.912   1.319   4.017  1.00  1.16           C
ATOM      0  H   VAL C  24       7.304   3.124   5.729  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.013   4.191   4.282  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       5.208   2.051   2.973  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.234   2.753   1.750  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       6.202   4.138   2.176  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       7.679   3.809   3.111  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       7.292   0.753   3.167  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       7.749   1.712   4.594  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       6.311   0.665   4.649  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.207   2.747   5.175  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.115   1.992   5.751  1.00  0.30           C
ATOM    304  C   LEU C  25       1.972   0.664   5.025  1.00  0.30           C
ATOM    305  O   LEU C  25       2.235   0.566   3.821  1.00  0.34           O
ATOM    306  CB  LEU C  25       0.814   2.799   5.680  1.00  0.31           C
ATOM    307  CG  LEU C  25       0.752   4.008   6.615  1.00  0.37           C
ATOM    308  CD1 LEU C  25      -0.517   4.805   6.367  1.00  0.39           C
ATOM    309  CD2 LEU C  25       0.823   3.568   8.071  1.00  0.48           C
ATOM      0  H   LEU C  25       2.914   3.494   4.546  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.330   1.793   6.801  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       0.673   3.143   4.655  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25      -0.020   2.136   5.911  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       1.611   4.645   6.406  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25      -0.546   5.662   7.040  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.531   5.154   5.335  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -1.386   4.172   6.548  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       0.777   4.444   8.718  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25      -0.016   2.908   8.293  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       1.759   3.036   8.245  1.00  0.48           H   new
ATOM    321  N   ARG C  26       1.574  -0.352   5.762  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.497  -1.702   5.240  1.00  0.33           C
ATOM    323  C   ARG C  26       0.053  -2.162   5.179  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.737  -1.873   6.077  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.307  -2.645   6.130  1.00  0.42           C
ATOM    326  CG  ARG C  26       3.801  -2.363   6.118  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.443  -2.824   4.818  1.00  0.95           C
ATOM    328  NE  ARG C  26       4.348  -4.275   4.658  1.00  1.64           N
ATOM    329  CZ  ARG C  26       4.757  -4.940   3.580  1.00  2.21           C
ATOM    330  NH1 ARG C  26       5.271  -4.290   2.544  1.00  2.24           N
ATOM    331  NH2 ARG C  26       4.648  -6.262   3.539  1.00  3.18           N
ATOM      0  H   ARG C  26       1.295  -0.266   6.739  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       1.910  -1.715   4.231  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       1.940  -2.569   7.154  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.137  -3.672   5.806  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       3.972  -1.295   6.251  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.275  -2.869   6.959  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       3.956  -2.331   3.976  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       5.490  -2.523   4.802  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       3.941  -4.813   5.423  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       5.355  -3.274   2.570  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       5.582  -4.806   1.721  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       4.252  -6.766   4.332  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       4.961  -6.774   2.714  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.296  -2.872   4.117  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.635  -3.407   3.994  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.825  -4.514   5.024  1.00  0.24           C
ATOM    348  O   CYS C  27      -1.037  -5.450   5.091  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.902  -3.928   2.575  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.664  -4.110   2.205  1.00  0.37           S
ATOM      0  H   CYS C  27       0.325  -3.087   3.337  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.353  -2.609   4.181  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.454  -3.245   1.853  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.409  -4.892   2.450  1.00  0.29           H   new
ATOM      0  HG  CYS C  27      -3.866  -3.893   0.939  1.00  0.37           H   new
ATOM    355  N   THR C  28      -2.851  -4.388   5.844  1.00  0.25           N
ATOM    356  CA  THR C  28      -3.103  -5.360   6.895  1.00  0.31           C
ATOM    357  C   THR C  28      -3.785  -6.614   6.337  1.00  0.33           C
ATOM    358  O   THR C  28      -3.979  -7.601   7.045  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.947  -4.743   8.026  1.00  0.39           C
ATOM    360  OG1 THR C  28      -4.073  -5.652   9.121  1.00  0.75           O
ATOM    361  CG2 THR C  28      -5.315  -4.369   7.511  1.00  0.72           C
ATOM      0  H   THR C  28      -3.524  -3.623   5.804  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -2.139  -5.655   7.310  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -3.439  -3.845   8.378  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -3.939  -6.569   8.802  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -5.902  -3.934   8.320  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -5.214  -3.643   6.705  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -5.819  -5.260   7.136  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.135  -6.575   5.054  1.00  0.31           N
ATOM    370  CA  HIS C  29      -4.786  -7.714   4.414  1.00  0.36           C
ATOM    371  C   HIS C  29      -3.880  -8.375   3.378  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.060  -9.548   3.051  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.102  -7.295   3.758  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.212  -7.035   4.730  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -7.586  -5.901   5.364  1.00  0.91           N   flip
ATOM    376  CD2 HIS C  29      -8.097  -8.006   5.139  1.00  1.16           C   flip
ATOM    377  CE1 HIS C  29      -8.681  -6.201   6.133  1.00  1.23           C   flip
ATOM    378  NE2 HIS C  29      -8.969  -7.479   5.978  1.00  1.43           N   flip
ATOM      0  H   HIS C  29      -3.980  -5.774   4.442  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -4.995  -8.442   5.198  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -5.931  -6.395   3.168  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.415  -8.076   3.065  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -8.081  -9.039   4.823  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29      -9.218  -5.506   6.761  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -9.736  -7.976   6.430  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -2.906  -7.634   2.865  1.00  0.29           N
ATOM    388  CA  CYS C  30      -1.997  -8.177   1.867  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.635  -7.496   1.984  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.399  -6.733   2.916  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.579  -8.007   0.452  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.234  -6.415  -0.334  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.727  -6.663   3.122  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -1.870  -9.244   2.047  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.186  -8.801  -0.183  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.659  -8.144   0.502  1.00  0.42           H   new
ATOM      0  HG  CYS C  30      -2.654  -5.453   0.432  1.00  0.79           H   new
ATOM    397  N   ALA C  31       0.247  -7.758   1.043  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.590  -7.208   1.085  1.00  0.37           C
ATOM    399  C   ALA C  31       1.688  -5.977   0.198  1.00  0.36           C
ATOM    400  O   ALA C  31       1.536  -6.063  -1.023  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.608  -8.256   0.659  1.00  0.47           C
ATOM      0  H   ALA C  31       0.059  -8.351   0.235  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.810  -6.912   2.111  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.609  -7.827   0.696  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.554  -9.111   1.333  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.391  -8.582  -0.358  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.938  -4.833   0.819  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.046  -3.576   0.100  1.00  0.35           C
ATOM    409  C   ALA C  32       2.689  -2.514   0.977  1.00  0.33           C
ATOM    410  O   ALA C  32       2.459  -2.478   2.188  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.674  -3.108  -0.367  1.00  0.37           C
ATOM      0  H   ALA C  32       2.070  -4.752   1.827  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.677  -3.736  -0.774  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.775  -2.165  -0.904  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.240  -3.857  -1.029  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.024  -2.966   0.497  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.498  -1.665   0.365  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.135  -0.564   1.064  1.00  0.38           C
ATOM    419  C   ALA C  33       3.766   0.749   0.392  1.00  0.37           C
ATOM    420  O   ALA C  33       4.102   0.978  -0.770  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.642  -0.748   1.087  1.00  0.45           C
ATOM      0  H   ALA C  33       3.730  -1.720  -0.627  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.782  -0.546   2.095  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.102   0.087   1.615  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.887  -1.680   1.597  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.020  -0.784   0.065  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.065   1.602   1.116  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.549   2.837   0.550  1.00  0.36           C
ATOM    429  C   PHE C  34       2.369   3.884   1.634  1.00  0.32           C
ATOM    430  O   PHE C  34       2.365   3.564   2.815  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.206   2.567  -0.137  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.178   1.947   0.774  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.090   0.570   0.904  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.698   2.742   1.495  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.850  -0.002   1.739  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.639   2.176   2.330  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.716   0.802   2.452  1.00  0.61           C
ATOM      0  H   PHE C  34       2.839   1.462   2.101  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.264   3.213  -0.182  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       0.813   3.505  -0.530  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.369   1.908  -0.989  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.764  -0.063   0.346  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.644   3.817   1.402  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -0.907  -1.076   1.834  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.315   2.807   2.888  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.453   0.358   3.105  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.226   5.134   1.235  1.00  0.32           N
ATOM    448  CA  HIS C  35       1.921   6.192   2.186  1.00  0.32           C
ATOM    449  C   HIS C  35       0.444   6.526   2.129  1.00  0.33           C
ATOM    450  O   HIS C  35      -0.164   6.443   1.055  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.730   7.460   1.908  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.204   7.302   2.083  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.081   7.829   1.177  1.00  0.42           N
ATOM    454  CD2 HIS C  35       4.899   6.697   3.073  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.289   7.540   1.626  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.231   6.852   2.781  1.00  0.42           N
ATOM      0  H   HIS C  35       2.315   5.442   0.267  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.189   5.826   3.177  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.531   7.787   0.888  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.381   8.252   2.571  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.484   6.188   3.931  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.206   7.820   1.130  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.021   6.513   3.331  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.129   6.883   3.267  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.528   7.288   3.321  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.813   8.392   2.306  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.679   8.241   1.448  1.00  0.37           O
ATOM    468  CB  TRP C  36      -1.897   7.768   4.729  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.305   8.281   4.838  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -3.695   9.575   5.031  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.508   7.511   4.746  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.066   9.655   5.070  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.588   8.402   4.895  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.777   6.155   4.553  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -6.913   7.977   4.855  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -6.092   5.735   4.515  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -7.145   6.643   4.664  1.00  0.68           C
ATOM      0  H   TRP C  36       0.351   6.901   4.167  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -2.138   6.419   3.073  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.763   6.945   5.431  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.207   8.557   5.028  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.023  10.414   5.138  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -5.607  10.509   5.207  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.971   5.446   4.435  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -7.728   8.676   4.971  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -6.311   4.688   4.368  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -8.163   6.283   4.627  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.031   9.466   2.372  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.266  10.654   1.550  1.00  0.44           C
ATOM    490  C   ARG C  37      -0.966  10.400   0.075  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.428  11.134  -0.798  1.00  0.51           O
ATOM    492  CB  ARG C  37      -0.425  11.816   2.070  1.00  0.61           C
ATOM    493  CG  ARG C  37      -0.791  12.228   3.483  1.00  0.70           C
ATOM    494  CD  ARG C  37       0.228  13.184   4.069  1.00  1.05           C
ATOM    495  NE  ARG C  37      -0.077  13.516   5.460  1.00  1.72           N
ATOM    496  CZ  ARG C  37       0.833  13.571   6.433  1.00  2.32           C
ATOM    497  NH1 ARG C  37       2.108  13.290   6.174  1.00  2.37           N
ATOM    498  NH2 ARG C  37       0.468  13.902   7.667  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.223   9.540   2.990  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.324  10.906   1.624  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.628  11.537   2.040  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -0.547  12.671   1.405  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -1.774  12.699   3.482  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.863  11.342   4.113  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       1.221  12.738   4.011  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37       0.254  14.097   3.474  1.00  1.05           H   new
ATOM      0  HE  ARG C  37      -1.047  13.718   5.701  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       2.391  13.032   5.229  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       2.802  13.333   6.921  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37      -0.509  14.114   7.870  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       1.165  13.944   8.411  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.192   9.362  -0.201  1.00  0.37           N
ATOM    513  CA  CYS C  38       0.111   8.987  -1.574  1.00  0.36           C
ATOM    514  C   CYS C  38      -1.079   8.261  -2.206  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.199   8.179  -3.428  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.389   8.145  -1.634  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.886   9.099  -1.273  1.00  0.54           S
ATOM      0  H   CYS C  38       0.237   8.765   0.506  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.290   9.892  -2.154  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.309   7.323  -0.923  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.478   7.701  -2.626  1.00  0.34           H   new
ATOM      0  HG  CYS C  38       3.927   8.457  -1.715  1.00  0.54           H   new
ATOM    522  N   HIS C  39      -1.950   7.717  -1.367  1.00  0.35           N
ATOM    523  CA  HIS C  39      -3.168   7.069  -1.843  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.375   7.971  -1.628  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.146   8.239  -2.551  1.00  0.61           O
ATOM    526  CB  HIS C  39      -3.389   5.735  -1.126  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.554   4.615  -1.654  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -1.545   4.606  -2.557  1.00  0.55           N   flip
ATOM    529  CD2 HIS C  39      -2.729   3.307  -1.265  1.00  0.53           C   flip
ATOM    530  CE1 HIS C  39      -1.134   3.304  -2.697  1.00  0.59           C   flip
ATOM    531  NE2 HIS C  39      -1.865   2.544  -1.904  1.00  0.56           N   flip
ATOM      0  H   HIS C  39      -1.837   7.711  -0.353  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -3.051   6.881  -2.910  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -3.175   5.865  -0.065  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -4.441   5.460  -1.208  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -3.459   2.960  -0.549  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -0.344   2.959  -3.348  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39      -1.776   1.533  -1.802  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.525   8.435  -0.402  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.642   9.274  -0.015  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.132  10.667   0.327  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.232  10.810   1.150  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.355   8.676   1.206  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.852   7.269   1.010  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -5.986   6.191   1.110  1.00  0.55           C
ATOM    547  CD2 PHE C  40      -8.187   7.024   0.741  1.00  0.71           C
ATOM    548  CE1 PHE C  40      -6.442   4.898   0.941  1.00  0.66           C
ATOM    549  CE2 PHE C  40      -8.649   5.732   0.570  1.00  0.80           C
ATOM    550  CZ  PHE C  40      -7.775   4.669   0.670  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.872   8.239   0.357  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.348   9.333  -0.844  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.671   8.692   2.054  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.200   9.314   1.466  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -4.941   6.364   1.323  1.00  0.55           H   new
ATOM      0  HD2 PHE C  40      -8.876   7.852   0.664  1.00  0.71           H   new
ATOM      0  HE1 PHE C  40      -5.756   4.068   1.021  1.00  0.66           H   new
ATOM      0  HE2 PHE C  40      -9.693   5.555   0.358  1.00  0.80           H   new
ATOM      0  HZ  PHE C  40      -8.134   3.659   0.536  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -5.687  11.707  -0.314  1.00  0.89           N
ATOM    561  CA  PRO C  41      -5.309  13.096  -0.041  1.00  1.04           C
ATOM    562  C   PRO C  41      -5.389  13.421   1.444  1.00  1.30           C
ATOM    563  O   PRO C  41      -6.225  12.872   2.167  1.00  1.93           O
ATOM    564  CB  PRO C  41      -6.342  13.906  -0.825  1.00  1.81           C
ATOM    565  CG  PRO C  41      -6.768  13.003  -1.926  1.00  2.12           C
ATOM    566  CD  PRO C  41      -6.722  11.615  -1.354  1.00  1.43           C
ATOM      0  HA  PRO C  41      -4.280  13.310  -0.330  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -7.185  14.189  -0.195  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -5.911  14.829  -1.213  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -7.772  13.252  -2.270  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -6.105  13.094  -2.786  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -7.685  11.321  -0.937  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -6.464  10.876  -2.113  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -4.520  14.326   1.877  1.00  1.64           N
ATOM    575  CA  ALA C  42      -4.340  14.652   3.294  1.00  2.34           C
ATOM    576  C   ALA C  42      -5.631  15.115   3.967  1.00  1.92           C
ATOM    577  O   ALA C  42      -5.727  15.111   5.196  1.00  2.41           O
ATOM    578  CB  ALA C  42      -3.262  15.713   3.451  1.00  3.30           C
ATOM      0  H   ALA C  42      -3.914  14.860   1.254  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -4.034  13.733   3.794  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -3.135  15.949   4.508  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -2.321  15.338   3.047  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -3.556  16.613   2.911  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -6.614  15.517   3.167  1.00  1.37           N
ATOM    585  CA  GLY C  43      -7.910  15.898   3.704  1.00  1.46           C
ATOM    586  C   GLY C  43      -8.730  14.697   4.153  1.00  1.21           C
ATOM    587  O   GLY C  43      -9.844  14.846   4.660  1.00  1.41           O
ATOM      0  H   GLY C  43      -6.536  15.586   2.152  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -7.766  16.572   4.549  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43      -8.466  16.451   2.946  1.00  1.46           H   new
ATOM    591  N   THR C  44      -8.182  13.505   3.956  1.00  0.90           N
ATOM    592  CA  THR C  44      -8.833  12.273   4.372  1.00  0.76           C
ATOM    593  C   THR C  44      -8.247  11.794   5.699  1.00  0.65           C
ATOM    594  O   THR C  44      -7.041  11.908   5.924  1.00  0.73           O
ATOM    595  CB  THR C  44      -8.655  11.175   3.302  1.00  0.83           C
ATOM    596  OG1 THR C  44      -8.864  11.737   1.998  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.632  10.028   3.526  1.00  0.99           C
ATOM      0  H   THR C  44      -7.278  13.367   3.505  1.00  0.90           H   new
ATOM      0  HA  THR C  44      -9.897  12.473   4.496  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -7.641  10.782   3.379  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -8.063  12.229   1.722  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.484   9.269   2.758  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.458   9.589   4.508  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.654  10.404   3.472  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.093  11.253   6.567  1.00  0.67           N
ATOM    606  CA  SER C  45      -8.661  10.830   7.891  1.00  0.69           C
ATOM    607  C   SER C  45      -8.155   9.393   7.873  1.00  0.61           C
ATOM    608  O   SER C  45      -8.861   8.474   7.445  1.00  0.66           O
ATOM    609  CB  SER C  45      -9.816  10.964   8.884  1.00  0.91           C
ATOM    610  OG  SER C  45     -10.303  12.296   8.920  1.00  1.60           O
ATOM      0  H   SER C  45     -10.083  11.097   6.377  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -7.839  11.475   8.202  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -10.622  10.286   8.604  1.00  0.91           H   new
ATOM      0  HB3 SER C  45      -9.482  10.668   9.878  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -11.042  12.357   9.561  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -6.922   9.212   8.329  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.306   7.897   8.394  1.00  0.70           C
ATOM    618  C   ARG C  46      -6.794   7.138   9.623  1.00  0.82           C
ATOM    619  O   ARG C  46      -6.767   7.668  10.735  1.00  0.97           O
ATOM    620  CB  ARG C  46      -4.778   8.026   8.437  1.00  0.86           C
ATOM    621  CG  ARG C  46      -4.063   6.688   8.540  1.00  1.10           C
ATOM    622  CD  ARG C  46      -2.551   6.837   8.516  1.00  1.09           C
ATOM    623  NE  ARG C  46      -2.028   7.534   9.694  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -1.249   6.957  10.615  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -1.039   5.645  10.592  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -0.709   7.687  11.583  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.325   9.969   8.662  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.591   7.341   7.501  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.439   8.543   7.539  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.497   8.647   9.288  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -4.362   6.189   9.462  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -4.376   6.047   7.715  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -2.095   5.849   8.452  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -2.259   7.382   7.618  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -2.272   8.516   9.819  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -1.473   5.072   9.869  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46      -0.444   5.211  11.298  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -0.888   8.690  11.625  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46      -0.115   7.245  12.284  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.254   5.892   9.436  1.00  0.82           N
ATOM    641  CA  PRO C  47      -7.673   5.033  10.546  1.00  1.01           C
ATOM    642  C   PRO C  47      -6.488   4.646  11.425  1.00  1.13           C
ATOM    643  O   PRO C  47      -5.341   4.622  10.969  1.00  1.14           O
ATOM    644  CB  PRO C  47      -8.254   3.799   9.847  1.00  1.02           C
ATOM    645  CG  PRO C  47      -7.620   3.785   8.499  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.404   5.225   8.131  1.00  0.70           C
ATOM      0  HA  PRO C  47      -8.385   5.525  11.209  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -8.025   2.888  10.400  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -9.340   3.862   9.772  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -6.676   3.241   8.517  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.261   3.288   7.771  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.517   5.352   7.510  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -8.247   5.627   7.569  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -6.767   4.351  12.685  1.00  1.31           N
ATOM    655  CA  GLY C  48      -5.712   4.025  13.623  1.00  1.49           C
ATOM    656  C   GLY C  48      -5.347   2.557  13.601  1.00  1.61           C
ATOM    657  O   GLY C  48      -4.354   2.150  14.205  1.00  1.90           O
ATOM      0  H   GLY C  48      -7.709   4.331  13.077  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -4.828   4.619  13.391  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -6.027   4.302  14.629  1.00  1.49           H   new
ATOM    661  N   THR C  49      -6.153   1.763  12.916  1.00  1.53           N
ATOM    662  CA  THR C  49      -5.895   0.339  12.788  1.00  1.70           C
ATOM    663  C   THR C  49      -5.113   0.042  11.507  1.00  1.25           C
ATOM    664  O   THR C  49      -4.479   0.940  10.942  1.00  1.89           O
ATOM    665  CB  THR C  49      -7.214  -0.457  12.809  1.00  2.25           C
ATOM    666  OG1 THR C  49      -8.170   0.151  11.928  1.00  2.72           O
ATOM    667  CG2 THR C  49      -7.783  -0.519  14.219  1.00  2.75           C
ATOM      0  H   THR C  49      -6.995   2.083  12.438  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -5.290   0.027  13.639  1.00  1.70           H   new
ATOM      0  HB  THR C  49      -7.006  -1.472  12.471  1.00  2.25           H   new
ATOM      0  HG1 THR C  49      -9.005  -0.362  11.946  1.00  2.72           H   new
ATOM      0 HG21 THR C  49      -8.714  -1.086  14.211  1.00  2.75           H   new
ATOM      0 HG22 THR C  49      -7.067  -1.008  14.879  1.00  2.75           H   new
ATOM      0 HG23 THR C  49      -7.976   0.492  14.578  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -5.147  -1.210  11.062  1.00  0.82           N
ATOM    676  CA  GLY C  50      -4.423  -1.601   9.869  1.00  0.74           C
ATOM    677  C   GLY C  50      -4.910  -0.887   8.624  1.00  0.57           C
ATOM    678  O   GLY C  50      -6.108  -0.625   8.473  1.00  0.60           O
ATOM      0  H   GLY C  50      -5.667  -1.964  11.511  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -3.362  -1.394  10.009  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -4.521  -2.677   9.727  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -3.981  -0.568   7.736  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.305   0.147   6.513  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.619  -0.835   5.384  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.033  -1.916   5.303  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.130   1.051   6.112  1.00  0.50           C
ATOM    687  CG  LEU C  51      -3.495   2.485   5.700  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -4.440   2.498   4.511  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -4.106   3.237   6.871  1.00  0.86           C
ATOM      0  H   LEU C  51      -2.992  -0.795   7.841  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.187   0.762   6.691  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -2.433   1.101   6.949  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.601   0.580   5.284  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -2.575   2.988   5.401  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -4.677   3.528   4.246  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -3.964   2.006   3.663  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -5.357   1.969   4.770  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -4.358   4.251   6.560  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -5.009   2.724   7.202  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.390   3.276   7.692  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.559  -0.464   4.532  1.00  0.32           N
ATOM    702  CA  ARG C  52      -5.874  -1.244   3.348  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.326  -0.553   2.109  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.488   0.655   1.939  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.387  -1.415   3.215  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.016  -2.219   4.339  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.532  -2.147   4.285  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.009  -0.772   4.405  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.226  -0.371   4.046  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -12.093  -1.240   3.538  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -11.574   0.900   4.194  1.00  2.65           N
ATOM      0  H   ARG C  52      -6.122   0.380   4.640  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.413  -2.227   3.445  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -7.853  -0.430   3.181  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.606  -1.904   2.265  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.696  -3.259   4.269  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -7.665  -1.842   5.300  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.884  -2.574   3.346  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.954  -2.751   5.088  1.00  0.79           H   new
ATOM      0  HE  ARG C  52      -9.370  -0.076   4.788  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.827  -2.218   3.422  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -13.025  -0.929   3.264  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -10.909   1.569   4.583  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -12.507   1.209   3.919  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.664  -1.312   1.249  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.188  -0.772  -0.013  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.383  -0.557  -0.937  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.456  -1.094  -0.666  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.168  -1.715  -0.659  1.00  0.47           C
ATOM    730  SG  CYS C  53      -3.894  -3.183  -1.420  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.446  -2.297   1.401  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -3.688   0.180   0.165  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -2.611  -1.165  -1.417  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.450  -2.030   0.099  1.00  0.47           H   new
ATOM      0  HG  CYS C  53      -3.271  -4.243  -0.999  1.00  0.49           H   new
ATOM    735  N   ARG C  54      -5.215   0.201  -2.018  1.00  0.58           N
ATOM    736  CA  ARG C  54      -6.356   0.596  -2.851  1.00  0.68           C
ATOM    737  C   ARG C  54      -7.151  -0.620  -3.331  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.380  -0.578  -3.404  1.00  0.68           O
ATOM    739  CB  ARG C  54      -5.904   1.448  -4.043  1.00  0.87           C
ATOM    740  CG  ARG C  54      -4.958   0.743  -5.001  1.00  1.28           C
ATOM    741  CD  ARG C  54      -4.552   1.658  -6.144  1.00  1.82           C
ATOM    742  NE  ARG C  54      -3.624   1.008  -7.065  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -3.147   1.582  -8.168  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -3.528   2.808  -8.508  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -2.293   0.924  -8.937  1.00  4.09           N
ATOM      0  H   ARG C  54      -4.312   0.552  -2.338  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -7.014   1.201  -2.228  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -6.785   1.772  -4.596  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -5.416   2.347  -3.666  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -4.070   0.413  -4.462  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -5.439  -0.150  -5.400  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -5.442   1.973  -6.689  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -4.090   2.559  -5.740  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -3.323   0.057  -6.851  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -4.191   3.317  -7.923  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -3.158   3.241  -9.354  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -2.002  -0.020  -8.684  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -1.926   1.361  -9.782  1.00  4.09           H   new
ATOM    759  N   SER C  55      -6.449  -1.710  -3.616  1.00  0.62           N
ATOM    760  CA  SER C  55      -7.085  -2.932  -4.079  1.00  0.65           C
ATOM    761  C   SER C  55      -7.979  -3.535  -2.989  1.00  0.60           C
ATOM    762  O   SER C  55      -9.151  -3.824  -3.226  1.00  0.68           O
ATOM    763  CB  SER C  55      -6.012  -3.932  -4.505  1.00  0.72           C
ATOM    764  OG  SER C  55      -5.072  -3.319  -5.374  1.00  1.54           O
ATOM      0  H   SER C  55      -5.434  -1.770  -3.533  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -7.719  -2.696  -4.934  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -5.501  -4.322  -3.625  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -6.477  -4.781  -5.005  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -4.392  -3.974  -5.635  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.430  -3.702  -1.790  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.187  -4.273  -0.675  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.231  -3.281  -0.151  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.170  -3.662   0.543  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.248  -4.688   0.462  1.00  0.50           C
ATOM    775  SG  CYS C  56      -6.011  -5.928   0.001  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.467  -3.452  -1.563  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.705  -5.157  -1.047  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.734  -3.801   0.834  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.846  -5.078   1.286  1.00  0.50           H   new
ATOM      0  HG  CYS C  56      -4.889  -5.666   0.603  1.00  0.65           H   new
ATOM    780  N   SER C  57      -9.058  -2.009  -0.488  1.00  0.62           N
ATOM    781  CA  SER C  57      -9.973  -0.963  -0.050  1.00  0.74           C
ATOM    782  C   SER C  57     -11.243  -0.959  -0.901  1.00  0.89           C
ATOM    783  O   SER C  57     -12.247  -0.347  -0.538  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.274   0.401  -0.123  1.00  0.78           C
ATOM    785  OG  SER C  57     -10.127   1.458   0.290  1.00  1.25           O
ATOM      0  H   SER C  57      -8.287  -1.676  -1.067  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.261  -1.161   0.982  1.00  0.74           H   new
ATOM      0  HB2 SER C  57      -8.384   0.386   0.506  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -8.940   0.583  -1.144  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -9.645   2.309   0.231  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.202  -1.655  -2.026  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.349  -1.699  -2.904  1.00  1.06           C
ATOM    793  C   GLY C  58     -12.381  -2.961  -3.729  1.00  1.50           C
ATOM    794  O   GLY C  58     -11.683  -3.067  -4.736  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.395  -2.190  -2.346  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -13.262  -1.630  -2.312  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -12.332  -0.833  -3.566  1.00  1.06           H   new