USER  MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=14
USER  MOD reduce.3.24.130724 removed 303 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: C  27 CYS SG  :   rot  155:sc=   -1.14!
USER  MOD Set 1.2: C  30 CYS SG  :   rot  -57:sc=   0.635
USER  MOD Set 1.3: C  53 CYS SG  :   rot -122:sc=   0.182
USER  MOD Set 1.4: C  56 CYS SG  :   rot  146:sc= -0.0148
USER  MOD Set 2.1: C  15 CYS SG  :   rot -129:sc=   0.337
USER  MOD Set 2.2: C  18 CYS SG  :   rot  149:sc=       1
USER  MOD Set 2.3: C  35 HIS     :     no HD1:sc=  -0.605  K(o=-3.8,f=-4.3)
USER  MOD Set 2.4: C  38 CYS SG  :   rot -134:sc=    -4.5!
USER  MOD Set 3.1: C  28 THR OG1 :   rot  -63:sc=   0.438
USER  MOD Set 3.2: C  29 HIS     :     no HD1:sc=       0  X(o=0.44,f=0.29)
USER  MOD Single : C  22 THR OG1 :   rot   86:sc=    1.24
USER  MOD Single : C  39 HIS     :     no HD1:sc= -0.0387  X(o=-0.039,f=-0.14)
USER  MOD Single : C  44 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  45 SER OG  :   rot  180:sc=  0.0254
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot  150:sc=    -2.6!
USER  MOD -----------------------------------------------------------------
ATOM    167  N   ARG C  14       7.216  -0.605  -1.904  1.00  1.06           N
ATOM    168  CA  ARG C  14       7.611   0.799  -1.885  1.00  0.77           C
ATOM    169  C   ARG C  14       6.458   1.673  -2.358  1.00  0.65           C
ATOM    170  O   ARG C  14       5.578   1.209  -3.087  1.00  0.73           O
ATOM    171  CB  ARG C  14       8.822   1.025  -2.796  1.00  0.75           C
ATOM    172  CG  ARG C  14      10.063   0.240  -2.399  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.172   0.434  -3.418  1.00  1.12           C
ATOM    174  NE  ARG C  14      12.386  -0.305  -3.076  1.00  1.74           N
ATOM    175  CZ  ARG C  14      13.447  -0.395  -3.878  1.00  2.20           C
ATOM    176  NH1 ARG C  14      13.428   0.185  -5.073  1.00  2.19           N
ATOM    177  NH2 ARG C  14      14.519  -1.074  -3.491  1.00  3.18           N
ATOM      0  HA  ARG C  14       7.876   1.067  -0.862  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14       8.549   0.757  -3.816  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       9.065   2.088  -2.800  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14      10.405   0.564  -1.416  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14       9.819  -0.819  -2.318  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      10.820   0.113  -4.398  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      11.407   1.495  -3.496  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      12.423  -0.778  -2.173  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      12.601   0.699  -5.377  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      14.240   0.116  -5.686  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      14.533  -1.529  -2.578  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      15.330  -1.141  -4.106  1.00  3.18           H   new
ATOM    191  N   CYS C  15       6.450   2.931  -1.931  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.451   3.877  -2.399  1.00  0.46           C
ATOM    193  C   CYS C  15       5.787   4.295  -3.823  1.00  0.42           C
ATOM    194  O   CYS C  15       6.709   5.081  -4.038  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.396   5.108  -1.483  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.162   6.339  -1.970  1.00  0.48           S
ATOM      0  H   CYS C  15       7.121   3.315  -1.266  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       4.471   3.399  -2.380  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.184   4.781  -0.465  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.378   5.580  -1.468  1.00  0.46           H   new
ATOM      0  HG  CYS C  15       4.718   7.513  -2.023  1.00  0.48           H   new
ATOM    201  N   GLY C  16       5.029   3.777  -4.786  1.00  0.56           N
ATOM    202  CA  GLY C  16       5.304   4.038  -6.192  1.00  0.65           C
ATOM    203  C   GLY C  16       5.230   5.508  -6.548  1.00  0.54           C
ATOM    204  O   GLY C  16       5.848   5.955  -7.511  1.00  0.61           O
ATOM      0  H   GLY C  16       4.222   3.176  -4.617  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       6.296   3.660  -6.438  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       4.591   3.486  -6.804  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.475   6.263  -5.764  1.00  0.52           N
ATOM    209  CA  VAL C  17       4.329   7.697  -5.986  1.00  0.65           C
ATOM    210  C   VAL C  17       5.616   8.439  -5.630  1.00  0.66           C
ATOM    211  O   VAL C  17       5.946   9.464  -6.229  1.00  0.86           O
ATOM    212  CB  VAL C  17       3.170   8.267  -5.139  1.00  0.78           C
ATOM    213  CG1 VAL C  17       2.953   9.744  -5.428  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.890   7.480  -5.380  1.00  0.94           C
ATOM      0  H   VAL C  17       3.951   5.906  -4.965  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       4.111   7.843  -7.044  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       3.443   8.167  -4.089  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       2.131  10.117  -4.817  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       3.861  10.298  -5.192  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       2.711   9.877  -6.482  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       1.086   7.898  -4.774  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.619   7.541  -6.434  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.047   6.437  -5.105  1.00  0.94           H   new
ATOM    224  N   CYS C  18       6.347   7.906  -4.662  1.00  0.55           N
ATOM    225  CA  CYS C  18       7.512   8.593  -4.126  1.00  0.70           C
ATOM    226  C   CYS C  18       8.820   7.894  -4.487  1.00  0.68           C
ATOM    227  O   CYS C  18       9.895   8.494  -4.414  1.00  0.84           O
ATOM    228  CB  CYS C  18       7.384   8.705  -2.607  1.00  0.82           C
ATOM    229  SG  CYS C  18       5.948   9.658  -2.073  1.00  0.82           S
ATOM      0  H   CYS C  18       6.154   7.001  -4.232  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       7.544   9.585  -4.576  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       7.324   7.704  -2.181  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       8.286   9.168  -2.208  1.00  0.82           H   new
ATOM      0  HG  CYS C  18       5.526   9.204  -0.930  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.726   6.629  -4.880  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.918   5.833  -5.104  1.00  0.67           C
ATOM    236  C   GLY C  19      10.668   5.620  -3.807  1.00  0.68           C
ATOM    237  O   GLY C  19      11.882   5.419  -3.795  1.00  0.77           O
ATOM      0  H   GLY C  19       7.846   6.141  -5.047  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.643   4.870  -5.534  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.564   6.332  -5.826  1.00  0.67           H   new
ATOM    241  N   ASP C  20       9.924   5.660  -2.709  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.500   5.669  -1.372  1.00  0.70           C
ATOM    243  C   ASP C  20       9.646   4.846  -0.415  1.00  0.52           C
ATOM    244  O   ASP C  20       8.429   4.752  -0.585  1.00  0.44           O
ATOM    245  CB  ASP C  20      10.611   7.122  -0.883  1.00  0.80           C
ATOM    246  CG  ASP C  20      10.895   7.245   0.601  1.00  1.30           C
ATOM    247  OD1 ASP C  20      12.074   7.134   0.992  1.00  1.40           O
ATOM    248  OD2 ASP C  20       9.945   7.445   1.384  1.00  2.10           O
ATOM      0  H   ASP C  20       8.904   5.687  -2.721  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.493   5.221  -1.403  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      11.403   7.624  -1.438  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20       9.682   7.645  -1.111  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.289   4.235   0.568  1.00  0.55           N
ATOM    254  CA  GLY C  21       9.574   3.465   1.563  1.00  0.51           C
ATOM    255  C   GLY C  21       9.897   3.920   2.972  1.00  0.45           C
ATOM    256  O   GLY C  21       9.786   3.147   3.920  1.00  0.51           O
ATOM      0  H   GLY C  21      11.301   4.259   0.694  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       8.502   3.555   1.390  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21       9.827   2.410   1.456  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.306   5.173   3.107  1.00  0.44           N
ATOM    261  CA  THR C  22      10.625   5.736   4.408  1.00  0.46           C
ATOM    262  C   THR C  22       9.351   6.157   5.126  1.00  0.39           C
ATOM    263  O   THR C  22       8.519   6.864   4.548  1.00  0.41           O
ATOM    264  CB  THR C  22      11.557   6.954   4.270  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.712   6.597   3.499  1.00  1.06           O
ATOM    266  CG2 THR C  22      11.986   7.474   5.636  1.00  0.90           C
ATOM      0  H   THR C  22      10.425   5.820   2.328  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.135   4.967   4.988  1.00  0.46           H   new
ATOM      0  HB  THR C  22      11.010   7.747   3.761  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.512   6.696   2.545  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      12.643   8.334   5.508  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      11.105   7.772   6.205  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.517   6.689   6.174  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.200   5.713   6.376  1.00  0.41           N
ATOM    275  CA  ASP C  23       8.019   6.028   7.172  1.00  0.45           C
ATOM    276  C   ASP C  23       6.776   5.585   6.410  1.00  0.38           C
ATOM    277  O   ASP C  23       5.839   6.352   6.180  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.977   7.528   7.491  1.00  0.59           C
ATOM    279  CG  ASP C  23       6.892   7.892   8.483  1.00  1.39           C
ATOM    280  OD1 ASP C  23       7.050   7.595   9.689  1.00  2.23           O
ATOM    281  OD2 ASP C  23       5.863   8.460   8.062  1.00  1.75           O
ATOM      0  H   ASP C  23       9.886   5.132   6.857  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       8.057   5.494   8.122  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       8.944   7.836   7.889  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       7.820   8.086   6.568  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.801   4.334   5.994  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.790   3.808   5.106  1.00  0.31           C
ATOM    288  C   VAL C  24       4.754   2.990   5.871  1.00  0.32           C
ATOM    289  O   VAL C  24       5.056   2.399   6.913  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.442   2.948   4.001  1.00  0.36           C
ATOM    291  CG1 VAL C  24       6.798   1.558   4.504  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.555   2.889   2.779  1.00  1.16           C
ATOM      0  H   VAL C  24       7.518   3.660   6.261  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.278   4.651   4.643  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.378   3.427   3.714  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.254   0.985   3.697  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.501   1.640   5.333  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       5.894   1.051   4.843  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       6.032   2.279   2.012  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       4.595   2.449   3.047  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.398   3.897   2.395  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.528   2.986   5.368  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.463   2.193   5.952  1.00  0.30           C
ATOM    304  C   LEU C  25       2.415   0.826   5.292  1.00  0.30           C
ATOM    305  O   LEU C  25       2.662   0.697   4.092  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.115   2.898   5.791  1.00  0.31           C
ATOM    307  CG  LEU C  25       0.938   4.170   6.616  1.00  0.37           C
ATOM    308  CD1 LEU C  25      -0.375   4.839   6.261  1.00  0.39           C
ATOM    309  CD2 LEU C  25       0.988   3.855   8.103  1.00  0.48           C
ATOM      0  H   LEU C  25       3.248   3.528   4.551  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.665   2.072   7.016  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       0.977   3.146   4.739  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.324   2.198   6.060  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       1.756   4.853   6.385  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25      -0.493   5.746   6.854  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.378   5.095   5.202  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -1.199   4.158   6.472  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       0.860   4.774   8.674  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.189   3.158   8.354  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       1.951   3.407   8.348  1.00  0.48           H   new
ATOM    321  N   ARG C  26       2.103  -0.186   6.077  1.00  0.31           N
ATOM    322  CA  ARG C  26       2.042  -1.547   5.576  1.00  0.33           C
ATOM    323  C   ARG C  26       0.600  -2.033   5.564  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.121  -1.876   6.551  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.902  -2.468   6.446  1.00  0.42           C
ATOM    326  CG  ARG C  26       3.001  -3.893   5.926  1.00  0.98           C
ATOM    327  CD  ARG C  26       3.706  -3.952   4.579  1.00  0.95           C
ATOM    328  NE  ARG C  26       5.095  -3.500   4.659  1.00  1.64           N
ATOM    329  CZ  ARG C  26       6.123  -4.129   4.088  1.00  2.21           C
ATOM    330  NH1 ARG C  26       5.947  -5.302   3.484  1.00  2.24           N
ATOM    331  NH2 ARG C  26       7.336  -3.601   4.149  1.00  3.18           N
ATOM      0  H   ARG C  26       1.887  -0.092   7.069  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.429  -1.566   4.557  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       3.905  -2.048   6.520  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.489  -2.488   7.455  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       3.541  -4.507   6.647  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       2.001  -4.317   5.832  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       3.680  -4.975   4.202  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       3.166  -3.334   3.861  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       5.290  -2.649   5.186  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       5.020  -5.727   3.455  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       6.739  -5.776   3.050  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       7.483  -2.715   4.632  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       8.124  -4.081   3.713  1.00  3.18           H   new
ATOM    345  N   CYS C  27       0.176  -2.594   4.440  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.166  -3.133   4.330  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.301  -4.364   5.223  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.412  -5.211   5.258  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.499  -3.478   2.870  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.260  -3.302   2.493  1.00  0.37           S
ATOM      0  H   CYS C  27       0.742  -2.686   3.596  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -1.877  -2.377   4.662  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -0.924  -2.831   2.208  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.188  -4.502   2.663  1.00  0.29           H   new
ATOM      0  HG  CYS C  27      -3.411  -3.075   1.222  1.00  0.37           H   new
ATOM    355  N   THR C  28      -2.394  -4.440   5.969  1.00  0.25           N
ATOM    356  CA  THR C  28      -2.628  -5.562   6.867  1.00  0.31           C
ATOM    357  C   THR C  28      -3.430  -6.654   6.172  1.00  0.33           C
ATOM    358  O   THR C  28      -3.517  -7.786   6.647  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.378  -5.110   8.134  1.00  0.39           C
ATOM    360  OG1 THR C  28      -4.619  -4.488   7.772  1.00  0.75           O
ATOM    361  CG2 THR C  28      -2.537  -4.133   8.942  1.00  0.72           C
ATOM      0  H   THR C  28      -3.133  -3.737   5.970  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -1.654  -5.958   7.153  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -3.575  -5.990   8.746  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -4.439  -3.684   7.242  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.088  -3.828   9.832  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -1.605  -4.614   9.239  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.315  -3.256   8.335  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.027  -6.304   5.043  1.00  0.31           N
ATOM    370  CA  HIS C  29      -4.835  -7.253   4.291  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.039  -7.863   3.146  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.406  -8.908   2.614  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.105  -6.587   3.764  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.112  -6.292   4.833  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.121  -7.163   5.170  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.262  -5.217   5.645  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -8.849  -6.642   6.137  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.348  -5.460   6.444  1.00  1.43           N
ATOM      0  H   HIS C  29      -3.968  -5.374   4.628  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.123  -8.056   4.969  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -5.837  -5.657   3.262  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.561  -7.234   3.015  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -6.641  -4.333   5.659  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29      -9.709  -7.103   6.600  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -8.710  -4.830   7.160  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -2.955  -7.206   2.767  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.076  -7.724   1.732  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.662  -7.216   1.980  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.390  -6.612   3.013  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.562  -7.297   0.342  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.066  -5.629  -0.142  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.663  -6.312   3.161  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.084  -8.813   1.768  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.182  -8.004  -0.395  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.650  -7.362   0.315  1.00  0.42           H   new
ATOM      0  HG  CYS C  30      -2.486  -4.777   0.746  1.00  0.79           H   new
ATOM    397  N   ALA C  31       0.219  -7.436   1.029  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.585  -6.969   1.135  1.00  0.37           C
ATOM    399  C   ALA C  31       1.761  -5.719   0.292  1.00  0.36           C
ATOM    400  O   ALA C  31       1.664  -5.768  -0.934  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.556  -8.054   0.694  1.00  0.47           C
ATOM      0  H   ALA C  31       0.012  -7.940   0.167  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.800  -6.728   2.176  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.578  -7.685   0.781  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.433  -8.932   1.328  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.354  -8.323  -0.343  1.00  0.47           H   new
ATOM    407  N   ALA C  32       2.015  -4.601   0.957  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.177  -3.326   0.281  1.00  0.35           C
ATOM    409  C   ALA C  32       2.668  -2.274   1.254  1.00  0.33           C
ATOM    410  O   ALA C  32       2.202  -2.209   2.393  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.866  -2.872  -0.346  1.00  0.37           C
ATOM      0  H   ALA C  32       2.114  -4.554   1.971  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.915  -3.456  -0.511  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       1.014  -1.915  -0.846  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.534  -3.614  -1.073  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.110  -2.762   0.431  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.612  -1.473   0.804  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.123  -0.365   1.585  1.00  0.38           C
ATOM    419  C   ALA C  33       3.859   0.932   0.839  1.00  0.37           C
ATOM    420  O   ALA C  33       4.420   1.166  -0.227  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.607  -0.544   1.849  1.00  0.45           C
ATOM      0  H   ALA C  33       4.047  -1.572  -0.113  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.615  -0.332   2.549  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       5.976   0.297   2.437  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.769  -1.471   2.399  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.143  -0.586   0.901  1.00  0.45           H   new
ATOM    427  N   PHE C  34       2.993   1.763   1.390  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.634   3.017   0.752  1.00  0.36           C
ATOM    429  C   PHE C  34       2.378   4.083   1.805  1.00  0.32           C
ATOM    430  O   PHE C  34       2.088   3.769   2.956  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.383   2.830  -0.117  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.133   2.523   0.666  1.00  0.47           C
ATOM    433  CD1 PHE C  34      -0.093   1.247   1.159  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.813   3.507   0.908  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -1.236   0.959   1.877  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.959   3.224   1.625  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -2.173   1.963   2.112  1.00  0.61           C
ATOM      0  H   PHE C  34       2.524   1.592   2.280  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.460   3.336   0.117  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.220   3.736  -0.701  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.563   2.022  -0.826  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.634   0.469   0.979  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.652   4.506   0.532  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -1.403  -0.039   2.255  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.689   4.000   1.802  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -3.067   1.746   2.678  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.511   5.340   1.417  1.00  0.32           N
ATOM    448  CA  HIS C  35       2.144   6.436   2.298  1.00  0.32           C
ATOM    449  C   HIS C  35       0.676   6.762   2.068  1.00  0.33           C
ATOM    450  O   HIS C  35       0.263   6.919   0.916  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.999   7.687   2.040  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.478   7.432   1.973  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.251   7.960   0.974  1.00  0.42           N
ATOM    454  CD2 HIS C  35       5.272   6.705   2.793  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.482   7.546   1.183  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.552   6.778   2.285  1.00  0.42           N
ATOM      0  H   HIS C  35       2.868   5.626   0.505  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.318   6.130   3.330  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.679   8.142   1.103  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.804   8.413   2.829  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.962   6.169   3.678  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.325   7.790   0.553  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.387   6.337   2.669  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.104   6.823   3.141  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.560   6.964   3.039  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.960   8.070   2.064  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.709   7.828   1.113  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.162   7.248   4.419  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.661   7.264   4.424  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.471   8.360   4.514  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.526   6.129   4.330  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.788   7.973   4.484  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.848   6.607   4.370  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.311   4.752   4.215  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -6.948   5.756   4.299  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.403   3.910   4.145  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.707   4.415   4.187  1.00  0.68           C
ATOM      0  H   TRP C  36       0.245   6.777   4.098  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -1.952   6.022   2.654  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.812   6.492   5.122  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.795   8.210   4.776  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -4.126   9.380   4.597  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.591   8.599   4.538  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.308   4.354   4.182  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -7.956   6.142   4.331  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.248   2.845   4.056  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.541   3.731   4.130  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.410   9.261   2.278  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.812  10.454   1.534  1.00  0.44           C
ATOM    490  C   ARG C  37      -1.410  10.383   0.058  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.890  11.168  -0.763  1.00  0.51           O
ATOM    492  CB  ARG C  37      -1.201  11.696   2.178  1.00  0.61           C
ATOM    493  CG  ARG C  37      -1.462  11.796   3.674  1.00  0.70           C
ATOM    494  CD  ARG C  37      -0.896  13.080   4.258  1.00  1.05           C
ATOM    495  NE  ARG C  37       0.545  13.191   4.042  1.00  1.72           N
ATOM    496  CZ  ARG C  37       1.285  14.227   4.435  1.00  2.32           C
ATOM    497  NH1 ARG C  37       0.726  15.248   5.074  1.00  2.37           N
ATOM    498  NH2 ARG C  37       2.589  14.242   4.184  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.677   9.428   2.967  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.900  10.510   1.573  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37      -0.125  11.693   2.005  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -1.601  12.584   1.688  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -2.535  11.754   3.860  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -1.017  10.939   4.179  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37      -1.397  13.936   3.806  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37      -1.106  13.116   5.327  1.00  1.05           H   new
ATOM      0  HE  ARG C  37       1.015  12.425   3.559  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37      -0.276  15.242   5.267  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       1.298  16.038   5.372  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37       3.022  13.461   3.691  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       3.157  15.034   4.484  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.536   9.447  -0.277  1.00  0.37           N
ATOM    513  CA  CYS C  38      -0.090   9.275  -1.653  1.00  0.36           C
ATOM    514  C   CYS C  38      -1.121   8.491  -2.458  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.143   8.549  -3.686  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.263   8.577  -1.677  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.501   9.408  -0.660  1.00  0.54           S
ATOM      0  H   CYS C  38      -0.120   8.793   0.386  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.018  10.257  -2.114  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.143   7.551  -1.328  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.621   8.524  -2.705  1.00  0.34           H   new
ATOM      0  HG  CYS C  38       3.614   9.507  -1.325  1.00  0.54           H   new
ATOM    522  N   HIS C  39      -1.958   7.739  -1.757  1.00  0.35           N
ATOM    523  CA  HIS C  39      -3.037   7.001  -2.398  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.374   7.672  -2.130  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.200   7.819  -3.029  1.00  0.61           O
ATOM    526  CB  HIS C  39      -3.086   5.552  -1.906  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.067   4.655  -2.536  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -1.957   3.319  -2.225  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -1.123   4.897  -3.477  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -0.995   2.779  -2.947  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.472   3.713  -3.718  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.911   7.624  -0.745  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.842   6.999  -3.470  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.944   5.542  -0.825  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -4.079   5.148  -2.100  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.920   5.846  -3.950  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -0.687   1.745  -2.913  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.290   3.578  -4.383  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.576   8.079  -0.889  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.834   8.671  -0.474  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.651  10.153  -0.180  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.636  10.560   0.386  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.366   7.953   0.770  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.654   6.492   0.552  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -5.664   5.540   0.736  1.00  0.55           C
ATOM    547  CD2 PHE C  40      -7.916   6.073   0.164  1.00  0.71           C
ATOM    548  CE1 PHE C  40      -5.926   4.197   0.538  1.00  0.66           C
ATOM    549  CE2 PHE C  40      -8.186   4.731  -0.034  1.00  0.80           C
ATOM    550  CZ  PHE C  40      -7.190   3.794   0.151  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.879   8.009  -0.147  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.555   8.562  -1.284  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.638   8.054   1.575  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.279   8.448   1.101  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -4.675   5.851   1.038  1.00  0.55           H   new
ATOM      0  HD2 PHE C  40      -8.698   6.803   0.014  1.00  0.71           H   new
ATOM      0  HE1 PHE C  40      -5.145   3.465   0.685  1.00  0.66           H   new
ATOM      0  HE2 PHE C  40      -9.175   4.417  -0.333  1.00  0.80           H   new
ATOM      0  HZ  PHE C  40      -7.398   2.746  -0.007  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.627  10.979  -0.580  1.00  0.89           N
ATOM    561  CA  PRO C  41      -6.607  12.416  -0.309  1.00  1.04           C
ATOM    562  C   PRO C  41      -6.680  12.695   1.184  1.00  1.30           C
ATOM    563  O   PRO C  41      -7.147  11.863   1.963  1.00  1.93           O
ATOM    564  CB  PRO C  41      -7.863  12.938  -1.015  1.00  1.81           C
ATOM    565  CG  PRO C  41      -8.748  11.750  -1.147  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.832  10.577  -1.322  1.00  1.43           C
ATOM      0  HA  PRO C  41      -5.691  12.893  -0.658  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -8.343  13.726  -0.435  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -7.621  13.361  -1.990  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -9.374  11.629  -0.263  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -9.418  11.854  -2.001  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -8.267   9.663  -0.919  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -7.614  10.390  -2.373  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -6.235  13.884   1.566  1.00  1.64           N
ATOM    575  CA  ALA C  42      -6.111  14.261   2.972  1.00  2.34           C
ATOM    576  C   ALA C  42      -7.461  14.297   3.683  1.00  1.92           C
ATOM    577  O   ALA C  42      -7.517  14.366   4.912  1.00  2.41           O
ATOM    578  CB  ALA C  42      -5.415  15.606   3.094  1.00  3.30           C
ATOM      0  H   ALA C  42      -5.950  14.615   0.914  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -5.509  13.495   3.462  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -5.328  15.877   4.146  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -4.420  15.542   2.652  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -5.996  16.365   2.571  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -8.542  14.265   2.912  1.00  1.37           N
ATOM    585  CA  GLY C  43      -9.865  14.193   3.497  1.00  1.46           C
ATOM    586  C   GLY C  43     -10.153  12.813   4.054  1.00  1.21           C
ATOM    587  O   GLY C  43     -10.860  12.668   5.051  1.00  1.41           O
ATOM      0  H   GLY C  43      -8.524  14.288   1.892  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -9.953  14.933   4.293  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43     -10.611  14.445   2.743  1.00  1.46           H   new
ATOM    591  N   THR C  44      -9.578  11.802   3.421  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.751  10.426   3.848  1.00  0.76           C
ATOM    593  C   THR C  44      -8.933  10.156   5.108  1.00  0.65           C
ATOM    594  O   THR C  44      -7.746  10.483   5.168  1.00  0.73           O
ATOM    595  CB  THR C  44      -9.318   9.460   2.730  1.00  0.83           C
ATOM    596  OG1 THR C  44     -10.017   9.781   1.521  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.595   8.014   3.109  1.00  0.99           C
ATOM      0  H   THR C  44      -8.982  11.913   2.601  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.806  10.264   4.068  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -8.244   9.573   2.581  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -9.739   9.167   0.810  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.278   7.358   2.298  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.044   7.763   4.015  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.662   7.882   3.286  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.563   9.559   6.106  1.00  0.67           N
ATOM    606  CA  SER C  45      -8.917   9.347   7.389  1.00  0.69           C
ATOM    607  C   SER C  45      -8.164   8.019   7.415  1.00  0.61           C
ATOM    608  O   SER C  45      -8.667   6.994   6.952  1.00  0.66           O
ATOM    609  CB  SER C  45      -9.960   9.399   8.508  1.00  0.91           C
ATOM    610  OG  SER C  45     -11.107   8.632   8.179  1.00  1.60           O
ATOM      0  H   SER C  45     -10.521   9.213   6.052  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -8.188  10.142   7.545  1.00  0.69           H   new
ATOM      0  HB2 SER C  45      -9.523   9.025   9.434  1.00  0.91           H   new
ATOM      0  HB3 SER C  45     -10.251  10.434   8.689  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -11.755   8.682   8.912  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -6.942   8.061   7.932  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.111   6.873   8.062  1.00  0.70           C
ATOM    618  C   ARG C  46      -6.610   6.008   9.216  1.00  0.82           C
ATOM    619  O   ARG C  46      -6.507   6.399  10.380  1.00  0.97           O
ATOM    620  CB  ARG C  46      -4.653   7.285   8.285  1.00  0.86           C
ATOM    621  CG  ARG C  46      -3.699   6.117   8.462  1.00  1.10           C
ATOM    622  CD  ARG C  46      -2.266   6.594   8.631  1.00  1.09           C
ATOM    623  NE  ARG C  46      -2.104   7.459   9.799  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -1.043   8.236  10.006  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -0.060   8.277   9.114  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -0.967   8.980  11.102  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.502   8.916   8.271  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.172   6.288   7.145  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.322   7.885   7.437  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.598   7.922   9.167  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -3.995   5.532   9.333  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -3.765   5.457   7.597  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -1.607   5.731   8.726  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -1.957   7.134   7.736  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -2.848   7.467  10.497  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -0.116   7.712   8.267  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       0.751   8.874   9.276  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -1.722   8.957  11.787  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46      -0.153   9.575  11.259  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.157   4.825   8.907  1.00  0.82           N
ATOM    641  CA  PRO C  47      -7.786   3.961   9.906  1.00  1.01           C
ATOM    642  C   PRO C  47      -6.778   3.318  10.852  1.00  1.13           C
ATOM    643  O   PRO C  47      -5.729   2.830  10.429  1.00  1.14           O
ATOM    644  CB  PRO C  47      -8.489   2.895   9.063  1.00  1.02           C
ATOM    645  CG  PRO C  47      -7.707   2.833   7.799  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.188   4.225   7.560  1.00  0.70           C
ATOM      0  HA  PRO C  47      -8.457   4.521  10.557  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -8.497   1.931   9.571  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -9.528   3.163   8.872  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -6.887   2.120   7.883  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.332   2.503   6.970  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.197   4.210   7.106  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -7.838   4.785   6.888  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -7.108   3.317  12.135  1.00  1.31           N
ATOM    655  CA  GLY C  48      -6.264   2.674  13.119  1.00  1.49           C
ATOM    656  C   GLY C  48      -6.678   1.239  13.357  1.00  1.61           C
ATOM    657  O   GLY C  48      -6.080   0.533  14.170  1.00  1.90           O
ATOM      0  H   GLY C  48      -7.949   3.752  12.513  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -5.227   2.703  12.784  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -6.312   3.227  14.057  1.00  1.49           H   new
ATOM    661  N   THR C  49      -7.712   0.812  12.647  1.00  1.53           N
ATOM    662  CA  THR C  49      -8.197  -0.554  12.734  1.00  1.70           C
ATOM    663  C   THR C  49      -8.185  -1.231  11.365  1.00  1.25           C
ATOM    664  O   THR C  49      -9.206  -1.276  10.673  1.00  1.89           O
ATOM    665  CB  THR C  49      -9.620  -0.598  13.318  1.00  2.25           C
ATOM    666  OG1 THR C  49     -10.378   0.523  12.842  1.00  2.72           O
ATOM    667  CG2 THR C  49      -9.588  -0.592  14.837  1.00  2.75           C
ATOM      0  H   THR C  49      -8.235   1.400  11.998  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -7.524  -1.095  13.400  1.00  1.70           H   new
ATOM      0  HB  THR C  49     -10.094  -1.523  12.990  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -11.283   0.488  13.216  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -10.607  -0.624  15.223  1.00  2.75           H   new
ATOM      0 HG22 THR C  49      -9.038  -1.463  15.193  1.00  2.75           H   new
ATOM      0 HG23 THR C  49      -9.096   0.315  15.187  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -7.029  -1.748  10.976  1.00  0.82           N
ATOM    676  CA  GLY C  50      -6.912  -2.433   9.705  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.511  -1.501   8.583  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.367  -0.929   7.904  1.00  0.60           O
ATOM      0  H   GLY C  50      -6.167  -1.705  11.520  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -6.175  -3.231   9.792  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -7.864  -2.904   9.460  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -5.210  -1.342   8.390  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.700  -0.493   7.325  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.799  -1.244   6.002  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.248  -2.336   5.849  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.243  -0.101   7.624  1.00  0.50           C
ATOM    687  CG  LEU C  51      -2.749   1.219   7.009  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.697   1.143   5.491  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -3.627   2.379   7.454  1.00  0.86           C
ATOM      0  H   LEU C  51      -4.489  -1.789   8.957  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.291   0.420   7.260  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -3.121  -0.041   8.705  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.595  -0.904   7.274  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -1.734   1.390   7.368  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.344   2.093   5.091  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.016   0.347   5.190  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.694   0.934   5.103  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -3.261   3.304   7.008  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -4.653   2.203   7.133  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.596   2.463   8.540  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.498  -0.662   5.043  1.00  0.32           N
ATOM    702  CA  ARG C  52      -5.721  -1.330   3.776  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.456  -0.381   2.611  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.847   0.785   2.637  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.146  -1.894   3.721  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.220  -0.839   3.643  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.605  -1.441   3.785  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.659  -0.441   3.630  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.951  -0.737   3.525  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -12.352  -2.000   3.594  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -12.843   0.231   3.353  1.00  2.65           N
ATOM      0  H   ARG C  52      -5.917   0.265   5.118  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.021  -2.161   3.689  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -7.233  -2.551   2.855  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.317  -2.508   4.605  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -8.062  -0.099   4.428  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -8.147  -0.314   2.691  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.737  -2.225   3.039  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.696  -1.914   4.763  1.00  0.79           H   new
ATOM      0  HE  ARG C  52     -10.388   0.542   3.601  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.669  -2.745   3.728  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -13.344  -2.225   3.513  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -12.537   1.203   3.301  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -13.834   0.003   3.273  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.750  -0.892   1.614  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.436  -0.137   0.413  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.680   0.012  -0.462  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.701  -0.603  -0.164  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.317  -0.841  -0.358  1.00  0.47           C
ATOM    730  SG  CYS C  53      -3.811  -2.408  -1.115  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.379  -1.842   1.616  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -4.098   0.860   0.695  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -2.952  -0.173  -1.138  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.484  -1.025   0.320  1.00  0.47           H   new
ATOM      0  HG  CYS C  53      -3.053  -3.364  -0.667  1.00  0.49           H   new
ATOM    735  N   ARG C  54      -5.602   0.786  -1.545  1.00  0.58           N
ATOM    736  CA  ARG C  54      -6.794   1.059  -2.357  1.00  0.68           C
ATOM    737  C   ARG C  54      -7.349  -0.220  -2.981  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.561  -0.364  -3.155  1.00  0.68           O
ATOM    739  CB  ARG C  54      -6.514   2.105  -3.442  1.00  0.87           C
ATOM    740  CG  ARG C  54      -5.381   1.745  -4.384  1.00  1.28           C
ATOM    741  CD  ARG C  54      -5.350   2.668  -5.589  1.00  1.82           C
ATOM    742  NE  ARG C  54      -5.367   4.080  -5.207  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -4.557   5.002  -5.725  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -3.607   4.654  -6.584  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -4.683   6.273  -5.367  1.00  4.09           N
ATOM      0  H   ARG C  54      -4.745   1.228  -1.878  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -7.548   1.466  -1.684  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -7.422   2.256  -4.026  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -6.282   3.056  -2.962  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -4.431   1.805  -3.853  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -5.496   0.713  -4.717  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -4.455   2.464  -6.177  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -6.207   2.456  -6.228  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -6.040   4.377  -4.501  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -3.494   3.676  -6.851  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -2.990   5.365  -6.977  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -5.400   6.545  -4.695  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -4.062   6.979  -5.764  1.00  4.09           H   new
ATOM    759  N   SER C  55      -6.468  -1.155  -3.301  1.00  0.62           N
ATOM    760  CA  SER C  55      -6.894  -2.443  -3.818  1.00  0.65           C
ATOM    761  C   SER C  55      -7.741  -3.169  -2.770  1.00  0.60           C
ATOM    762  O   SER C  55      -8.779  -3.755  -3.084  1.00  0.68           O
ATOM    763  CB  SER C  55      -5.671  -3.280  -4.207  1.00  0.72           C
ATOM    764  OG  SER C  55      -6.048  -4.542  -4.733  1.00  1.54           O
ATOM      0  H   SER C  55      -5.458  -1.046  -3.212  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -7.503  -2.292  -4.709  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -5.079  -2.739  -4.946  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -5.035  -3.424  -3.333  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -5.245  -5.050  -4.972  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.289  -3.111  -1.525  1.00  0.52           N
ATOM    771  CA  CYS C  56      -7.990  -3.736  -0.411  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.250  -2.968   0.005  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.213  -3.567   0.481  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.047  -3.886   0.779  1.00  0.50           C
ATOM    775  SG  CYS C  56      -5.777  -5.157   0.550  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.429  -2.631  -1.259  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.318  -4.719  -0.750  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.560  -2.929   0.968  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.632  -4.126   1.666  1.00  0.50           H   new
ATOM      0  HG  CYS C  56      -4.684  -4.791   1.150  1.00  0.65           H   new
ATOM    780  N   SER C  57      -9.249  -1.649  -0.177  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.360  -0.824   0.293  1.00  0.74           C
ATOM    782  C   SER C  57     -11.580  -0.976  -0.610  1.00  0.89           C
ATOM    783  O   SER C  57     -12.694  -0.589  -0.246  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.934   0.644   0.377  1.00  0.78           C
ATOM    785  OG  SER C  57      -9.318   1.071  -0.823  1.00  1.25           O
ATOM      0  H   SER C  57      -8.501  -1.133  -0.641  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.637  -1.166   1.290  1.00  0.74           H   new
ATOM      0  HB2 SER C  57     -10.805   1.266   0.582  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -9.244   0.777   1.210  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -9.485   2.028  -0.954  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.362  -1.554  -1.777  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.450  -1.871  -2.672  1.00  1.06           C
ATOM    793  C   GLY C  58     -12.360  -3.310  -3.121  1.00  1.50           C
ATOM    794  O   GLY C  58     -11.721  -4.126  -2.457  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.438  -1.812  -2.124  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -13.403  -1.698  -2.172  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -12.421  -1.210  -3.539  1.00  1.06           H   new