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    1:sc=    1.78
USER  MOD Set 1.2: C  30 CYS SG  :   rot  140:sc=  -0.172
USER  MOD Set 1.3: C  53 CYS SG  :   rot  -52:sc=    0.51
USER  MOD Set 1.4: C  56 CYS SG  :   rot  148:sc=  0.0688
USER  MOD Set 2.1: C  15 CYS SG  :   rot -134:sc=    0.35
USER  MOD Set 2.2: C  18 CYS SG  :   rot  141:sc=    1.05
USER  MOD Set 2.3: C  35 HIS     :     no HD1:sc=   0.278  K(o=-2.5,f=-6.5!)
USER  MOD Set 2.4: C  38 CYS SG  :   rot -142:sc=    -4.2!
USER  MOD Single : C  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  28 THR OG1 :   rot  -42:sc=   0.354
USER  MOD Single : C  29 HIS     :     no HD1:sc=  -0.251  X(o=-0.25,f=0)
USER  MOD Single : C  39 HIS     :     no HD1:sc= -0.0178  X(o=-0.018,f=0)
USER  MOD Single : C  44 THR OG1 :   rot -170:sc=  -0.998
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=  0.0153
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot -167:sc=    1.33
USER  MOD -----------------------------------------------------------------
ATOM    167  N   ARG C  14       8.934   0.379  -0.209  1.00  1.06           N
ATOM    168  CA  ARG C  14       9.121   1.694  -0.806  1.00  0.77           C
ATOM    169  C   ARG C  14       7.814   2.153  -1.434  1.00  0.65           C
ATOM    170  O   ARG C  14       7.190   1.405  -2.183  1.00  0.73           O
ATOM    171  CB  ARG C  14      10.226   1.657  -1.873  1.00  0.75           C
ATOM    172  CG  ARG C  14      11.599   1.302  -1.325  1.00  1.01           C
ATOM    173  CD  ARG C  14      12.633   1.128  -2.423  1.00  1.12           C
ATOM    174  NE  ARG C  14      13.905   0.653  -1.881  1.00  1.74           N
ATOM    175  CZ  ARG C  14      14.921   0.209  -2.620  1.00  2.20           C
ATOM    176  NH1 ARG C  14      14.841   0.205  -3.945  1.00  2.19           N
ATOM    177  NH2 ARG C  14      16.024  -0.229  -2.027  1.00  3.18           N
ATOM      0  HA  ARG C  14       9.421   2.393  -0.026  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14       9.953   0.932  -2.640  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14      10.280   2.631  -2.360  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14      11.928   2.084  -0.641  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      11.529   0.381  -0.746  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      12.264   0.420  -3.165  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      12.785   2.077  -2.936  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      14.023   0.662  -0.868  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.997   0.544  -4.406  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      15.624  -0.137  -4.502  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      16.092  -0.225  -1.009  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      16.804  -0.570  -2.589  1.00  3.18           H   new
ATOM    191  N   CYS C  15       7.395   3.368  -1.111  1.00  0.53           N
ATOM    192  CA  CYS C  15       6.180   3.934  -1.676  1.00  0.46           C
ATOM    193  C   CYS C  15       6.324   4.056  -3.183  1.00  0.42           C
ATOM    194  O   CYS C  15       7.124   4.849  -3.664  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.906   5.306  -1.051  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.534   6.234  -1.788  1.00  0.48           S
ATOM      0  H   CYS C  15       7.881   3.982  -0.458  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       5.338   3.277  -1.457  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.701   5.169   0.011  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.812   5.908  -1.126  1.00  0.46           H   new
ATOM      0  HG  CYS C  15       4.898   7.467  -1.980  1.00  0.48           H   new
ATOM    201  N   GLY C  16       5.544   3.270  -3.918  1.00  0.56           N
ATOM    202  CA  GLY C  16       5.655   3.235  -5.369  1.00  0.65           C
ATOM    203  C   GLY C  16       5.430   4.589  -6.013  1.00  0.54           C
ATOM    204  O   GLY C  16       5.902   4.850  -7.121  1.00  0.61           O
ATOM      0  H   GLY C  16       4.831   2.651  -3.533  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       6.644   2.868  -5.643  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       4.930   2.525  -5.766  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.716   5.454  -5.310  1.00  0.52           N
ATOM    209  CA  VAL C  17       4.428   6.792  -5.803  1.00  0.65           C
ATOM    210  C   VAL C  17       5.629   7.721  -5.612  1.00  0.66           C
ATOM    211  O   VAL C  17       5.870   8.615  -6.422  1.00  0.86           O
ATOM    212  CB  VAL C  17       3.200   7.388  -5.082  1.00  0.78           C
ATOM    213  CG1 VAL C  17       2.823   8.740  -5.667  1.00  1.04           C
ATOM    214  CG2 VAL C  17       2.022   6.428  -5.149  1.00  0.94           C
ATOM      0  H   VAL C  17       4.323   5.252  -4.391  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       4.214   6.708  -6.868  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       3.465   7.538  -4.035  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       1.955   9.135  -5.140  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       3.660   9.430  -5.557  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       2.584   8.625  -6.724  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       1.166   6.866  -4.635  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.763   6.242  -6.191  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.291   5.487  -4.668  1.00  0.94           H   new
ATOM    224  N   CYS C  18       6.394   7.492  -4.552  1.00  0.55           N
ATOM    225  CA  CYS C  18       7.498   8.382  -4.205  1.00  0.70           C
ATOM    226  C   CYS C  18       8.859   7.767  -4.529  1.00  0.68           C
ATOM    227  O   CYS C  18       9.714   8.412  -5.134  1.00  0.84           O
ATOM    228  CB  CYS C  18       7.437   8.746  -2.720  1.00  0.82           C
ATOM    229  SG  CYS C  18       5.971   9.688  -2.251  1.00  0.82           S
ATOM      0  H   CYS C  18       6.272   6.701  -3.919  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       7.388   9.282  -4.810  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       7.471   7.830  -2.131  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       8.325   9.324  -2.462  1.00  0.82           H   new
ATOM      0  HG  CYS C  18       5.548   9.283  -1.090  1.00  0.82           H   new
ATOM    234  N   GLY C  19       9.046   6.519  -4.128  1.00  0.60           N
ATOM    235  CA  GLY C  19      10.337   5.875  -4.261  1.00  0.67           C
ATOM    236  C   GLY C  19      10.982   5.643  -2.910  1.00  0.68           C
ATOM    237  O   GLY C  19      11.825   4.760  -2.755  1.00  0.77           O
ATOM      0  H   GLY C  19       8.321   5.936  -3.710  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19      10.218   4.922  -4.777  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.991   6.492  -4.877  1.00  0.67           H   new
ATOM    241  N   ASP C  20      10.568   6.436  -1.928  1.00  0.70           N
ATOM    242  CA  ASP C  20      11.124   6.360  -0.580  1.00  0.70           C
ATOM    243  C   ASP C  20      10.346   5.372   0.278  1.00  0.52           C
ATOM    244  O   ASP C  20       9.153   5.148   0.057  1.00  0.44           O
ATOM    245  CB  ASP C  20      11.092   7.737   0.090  1.00  0.80           C
ATOM    246  CG  ASP C  20      11.848   8.790  -0.690  1.00  1.30           C
ATOM    247  OD1 ASP C  20      13.061   8.955  -0.445  1.00  1.40           O
ATOM    248  OD2 ASP C  20      11.237   9.449  -1.559  1.00  2.10           O
ATOM      0  H   ASP C  20       9.843   7.145  -2.041  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      12.155   6.019  -0.668  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      10.056   8.054   0.208  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20      11.517   7.658   1.091  1.00  0.80           H   new
ATOM    253  N   GLY C  21      11.025   4.791   1.256  1.00  0.55           N
ATOM    254  CA  GLY C  21      10.377   3.876   2.175  1.00  0.51           C
ATOM    255  C   GLY C  21      10.227   4.479   3.558  1.00  0.45           C
ATOM    256  O   GLY C  21       9.820   3.800   4.500  1.00  0.51           O
ATOM      0  H   GLY C  21      12.019   4.938   1.431  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       9.394   3.607   1.787  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      10.957   2.955   2.241  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.567   5.756   3.675  1.00  0.44           N
ATOM    261  CA  THR C  22      10.445   6.472   4.936  1.00  0.46           C
ATOM    262  C   THR C  22       8.977   6.708   5.281  1.00  0.39           C
ATOM    263  O   THR C  22       8.219   7.215   4.452  1.00  0.41           O
ATOM    264  CB  THR C  22      11.175   7.828   4.868  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.532   7.630   4.444  1.00  1.06           O
ATOM    266  CG2 THR C  22      11.163   8.528   6.221  1.00  0.90           C
ATOM      0  H   THR C  22      10.931   6.319   2.906  1.00  0.44           H   new
ATOM      0  HA  THR C  22      10.903   5.858   5.711  1.00  0.46           H   new
ATOM      0  HB  THR C  22      10.651   8.458   4.149  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.991   8.495   4.401  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      11.685   9.482   6.142  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      10.133   8.703   6.531  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      11.663   7.901   6.960  1.00  0.90           H   new
ATOM    274  N   ASP C  23       8.586   6.321   6.498  1.00  0.41           N
ATOM    275  CA  ASP C  23       7.209   6.491   6.977  1.00  0.45           C
ATOM    276  C   ASP C  23       6.225   5.781   6.062  1.00  0.38           C
ATOM    277  O   ASP C  23       5.133   6.282   5.794  1.00  0.42           O
ATOM    278  CB  ASP C  23       6.828   7.975   7.085  1.00  0.59           C
ATOM    279  CG  ASP C  23       7.502   8.680   8.243  1.00  1.39           C
ATOM    280  OD1 ASP C  23       7.249   8.300   9.407  1.00  1.75           O
ATOM    281  OD2 ASP C  23       8.286   9.619   7.996  1.00  2.23           O
ATOM      0  H   ASP C  23       9.210   5.884   7.176  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       7.160   6.047   7.971  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       7.093   8.480   6.156  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       5.747   8.059   7.196  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.607   4.604   5.593  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.798   3.885   4.630  1.00  0.31           C
ATOM    288  C   VAL C  24       4.792   2.982   5.343  1.00  0.32           C
ATOM    289  O   VAL C  24       5.046   2.499   6.448  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.684   3.064   3.660  1.00  0.36           C
ATOM    291  CG1 VAL C  24       7.164   1.766   4.289  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.964   2.808   2.356  1.00  1.16           C
ATOM      0  H   VAL C  24       7.469   4.130   5.864  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.246   4.616   4.039  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.570   3.661   3.446  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.782   1.222   3.574  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.751   1.989   5.180  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       6.304   1.155   4.564  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       6.607   2.230   1.693  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       5.048   2.250   2.550  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.717   3.759   1.884  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.639   2.795   4.723  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.584   1.978   5.293  1.00  0.30           C
ATOM    304  C   LEU C  25       2.349   0.746   4.431  1.00  0.30           C
ATOM    305  O   LEU C  25       2.551   0.785   3.218  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.297   2.796   5.413  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.371   3.993   6.363  1.00  0.37           C
ATOM    308  CD1 LEU C  25       0.092   4.811   6.286  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.621   3.532   7.790  1.00  0.48           C
ATOM      0  H   LEU C  25       3.410   3.203   3.817  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.888   1.652   6.288  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       1.021   3.156   4.422  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.496   2.136   5.747  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       2.206   4.623   6.056  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25       0.161   5.659   6.968  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.047   5.174   5.268  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.756   4.187   6.567  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.670   4.399   8.449  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.809   2.879   8.109  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.564   2.987   7.836  1.00  0.48           H   new
ATOM    321  N   ARG C  26       1.950  -0.346   5.065  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.686  -1.599   4.366  1.00  0.33           C
ATOM    323  C   ARG C  26       0.233  -2.001   4.568  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.350  -1.703   5.610  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.588  -2.729   4.889  1.00  0.42           C
ATOM    326  CG  ARG C  26       4.073  -2.581   4.579  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.734  -1.499   5.420  1.00  0.95           C
ATOM    328  NE  ARG C  26       6.191  -1.626   5.421  1.00  1.64           N
ATOM    329  CZ  ARG C  26       6.997  -1.030   6.303  1.00  2.21           C
ATOM    330  NH1 ARG C  26       6.502  -0.212   7.226  1.00  2.24           N
ATOM    331  NH2 ARG C  26       8.303  -1.253   6.258  1.00  3.18           N
ATOM      0  H   ARG C  26       1.800  -0.391   6.073  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       1.895  -1.443   3.308  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.466  -2.797   5.970  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.239  -3.672   4.469  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.575  -3.532   4.755  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.199  -2.345   3.522  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.455  -0.518   5.035  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       4.363  -1.557   6.443  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       6.619  -2.208   4.701  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       5.498  -0.035   7.265  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       7.126   0.239   7.895  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       8.690  -1.878   5.551  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       8.921  -0.799   6.930  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.359  -2.673   3.584  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.705  -3.194   3.763  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.680  -4.330   4.783  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.766  -5.146   4.788  1.00  0.30           O
ATOM    349  CB  CYS C  27      -2.328  -3.689   2.441  1.00  0.29           C
ATOM    350  SG  CYS C  27      -4.081  -4.133   2.651  1.00  0.37           S
ATOM      0  H   CYS C  27       0.063  -2.865   2.675  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.328  -2.376   4.124  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -2.237  -2.912   1.682  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.774  -4.555   2.079  1.00  0.29           H   new
ATOM      0  HG  CYS C  27      -4.439  -3.916   3.882  1.00  0.37           H   new
ATOM    355  N   THR C  28      -2.675  -4.372   5.655  1.00  0.25           N
ATOM    356  CA  THR C  28      -2.761  -5.425   6.655  1.00  0.31           C
ATOM    357  C   THR C  28      -3.451  -6.666   6.074  1.00  0.33           C
ATOM    358  O   THR C  28      -3.710  -7.643   6.775  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.506  -4.941   7.915  1.00  0.39           C
ATOM    360  OG1 THR C  28      -3.360  -5.886   8.986  1.00  0.75           O
ATOM    361  CG2 THR C  28      -4.972  -4.744   7.608  1.00  0.72           C
ATOM      0  H   THR C  28      -3.433  -3.691   5.691  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -1.744  -5.691   6.944  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -3.071  -3.991   8.225  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -3.458  -6.796   8.635  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -5.489  -4.402   8.505  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -5.082  -3.999   6.820  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -5.405  -5.688   7.278  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -3.757  -6.611   4.783  1.00  0.31           N
ATOM    370  CA  HIS C  29      -4.351  -7.751   4.091  1.00  0.36           C
ATOM    371  C   HIS C  29      -3.557  -8.092   2.836  1.00  0.34           C
ATOM    372  O   HIS C  29      -3.802  -9.112   2.194  1.00  0.40           O
ATOM    373  CB  HIS C  29      -5.805  -7.465   3.706  1.00  0.41           C
ATOM    374  CG  HIS C  29      -6.740  -7.356   4.873  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -7.182  -8.443   5.591  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.315  -6.274   5.446  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -7.988  -8.035   6.553  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.087  -6.721   6.488  1.00  1.43           N
ATOM      0  H   HIS C  29      -3.605  -5.792   4.195  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -4.326  -8.599   4.776  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -5.842  -6.536   3.137  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.157  -8.258   3.046  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -7.189  -5.246   5.139  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29      -8.483  -8.670   7.273  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -8.645  -6.135   7.109  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -2.611  -7.227   2.492  1.00  0.29           N
ATOM    388  CA  CYS C  30      -1.803  -7.404   1.289  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.390  -6.910   1.532  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.080  -6.381   2.593  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.390  -6.608   0.124  1.00  0.42           C
ATOM    392  SG  CYS C  30      -4.173  -6.744  -0.047  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.383  -6.392   3.031  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -1.797  -8.466   1.045  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.129  -5.557   0.250  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -1.922  -6.944  -0.801  1.00  0.42           H   new
ATOM      0  HG  CYS C  30      -4.668  -5.584  -0.362  1.00  0.79           H   new
ATOM    397  N   ALA C  31       0.452  -7.064   0.536  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.784  -6.508   0.576  1.00  0.37           C
ATOM    399  C   ALA C  31       1.828  -5.280  -0.313  1.00  0.36           C
ATOM    400  O   ALA C  31       1.686  -5.383  -1.534  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.811  -7.535   0.127  1.00  0.47           C
ATOM      0  H   ALA C  31       0.234  -7.575  -0.320  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       2.029  -6.225   1.600  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.807  -7.094   0.165  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.772  -8.401   0.787  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.591  -7.847  -0.894  1.00  0.47           H   new
ATOM    407  N   ALA C  32       2.005  -4.123   0.302  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.057  -2.867  -0.426  1.00  0.35           C
ATOM    409  C   ALA C  32       2.625  -1.769   0.449  1.00  0.33           C
ATOM    410  O   ALA C  32       2.001  -1.374   1.429  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.668  -2.473  -0.910  1.00  0.37           C
ATOM      0  H   ALA C  32       2.116  -4.028   1.311  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.708  -3.002  -1.290  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.726  -1.530  -1.453  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.279  -3.249  -1.570  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.003  -2.358  -0.054  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.812  -1.302   0.108  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.430  -0.193   0.812  1.00  0.38           C
ATOM    419  C   ALA C  33       4.094   1.116   0.113  1.00  0.37           C
ATOM    420  O   ALA C  33       4.515   1.357  -1.019  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.931  -0.396   0.895  1.00  0.45           C
ATOM      0  H   ALA C  33       4.371  -1.677  -0.658  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       4.038  -0.150   1.828  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.383   0.442   1.425  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       6.144  -1.321   1.431  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.346  -0.455  -0.111  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.314   1.943   0.783  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.906   3.226   0.242  1.00  0.36           C
ATOM    429  C   PHE C  34       2.604   4.190   1.375  1.00  0.32           C
ATOM    430  O   PHE C  34       2.344   3.772   2.499  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.666   3.060  -0.646  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.459   2.516   0.074  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.248   1.149   0.164  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.465   3.371   0.652  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.860   0.647   0.818  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.576   2.875   1.306  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.773   1.511   1.390  1.00  0.61           C
ATOM      0  H   PHE C  34       2.947   1.746   1.714  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.719   3.626  -0.363  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.411   4.027  -1.079  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.912   2.395  -1.474  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.958   0.469  -0.282  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.315   4.439   0.591  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -1.012  -0.420   0.882  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.289   3.553   1.751  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.640   1.120   1.902  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.657   5.477   1.087  1.00  0.32           N
ATOM    448  CA  HIS C  35       2.222   6.473   2.052  1.00  0.32           C
ATOM    449  C   HIS C  35       0.729   6.682   1.876  1.00  0.33           C
ATOM    450  O   HIS C  35       0.255   6.705   0.737  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.954   7.811   1.869  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.450   7.716   1.884  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.213   8.336   0.927  1.00  0.42           N
ATOM    454  CD2 HIS C  35       5.267   7.080   2.752  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.469   8.067   1.223  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.556   7.306   2.328  1.00  0.42           N
ATOM      0  H   HIS C  35       2.993   5.856   0.202  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.454   6.112   3.054  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.642   8.254   0.923  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.639   8.492   2.659  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.966   6.504   3.614  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.318   8.413   0.652  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.411   6.963   2.766  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.010   6.797   2.970  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.468   6.911   2.903  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.900   7.973   1.890  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.696   7.693   0.988  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.043   7.241   4.282  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.539   7.331   4.296  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.293   8.468   4.350  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.462   6.239   4.241  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.630   8.149   4.334  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.758   6.786   4.267  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.316   4.850   4.174  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -6.901   5.991   4.226  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.450   4.063   4.133  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.728   4.635   4.158  1.00  0.68           C
ATOM      0  H   TRP C  36       0.371   6.814   3.916  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -1.859   5.948   2.573  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.725   6.478   4.992  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.626   8.188   4.624  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.897   9.472   4.398  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.400   8.817   4.367  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.334   4.401   4.155  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -7.888   6.429   4.247  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.350   2.989   4.081  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.595   3.993   4.123  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.323   9.166   2.013  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.704  10.313   1.184  1.00  0.44           C
ATOM    490  C   ARG C  37      -1.318  10.116  -0.284  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.721  10.890  -1.153  1.00  0.51           O
ATOM    492  CB  ARG C  37      -1.039  11.582   1.714  1.00  0.61           C
ATOM    493  CG  ARG C  37      -1.336  11.871   3.177  1.00  0.70           C
ATOM    494  CD  ARG C  37      -0.517  13.046   3.679  1.00  1.05           C
ATOM    495  NE  ARG C  37      -0.642  13.231   5.125  1.00  1.72           N
ATOM    496  CZ  ARG C  37       0.243  13.899   5.866  1.00  2.32           C
ATOM    497  NH1 ARG C  37       1.296  14.473   5.297  1.00  2.37           N
ATOM    498  NH2 ARG C  37       0.068  13.999   7.175  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.582   9.367   2.685  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.789  10.405   1.237  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.040  11.497   1.583  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -1.367  12.430   1.113  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -2.398  12.085   3.300  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -1.117  10.988   3.777  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       0.531  12.891   3.424  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37      -0.838  13.954   3.169  1.00  1.05           H   new
ATOM      0  HE  ARG C  37      -1.453  12.826   5.593  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       1.431  14.404   4.288  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       1.970  14.983   5.868  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37      -0.743  13.565   7.616  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       0.744  14.510   7.742  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.533   9.089  -0.560  1.00  0.37           N
ATOM    513  CA  CYS C  38      -0.087   8.817  -1.916  1.00  0.36           C
ATOM    514  C   CYS C  38      -1.065   7.898  -2.637  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.100   7.852  -3.864  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.320   8.229  -1.884  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.479   9.301  -1.012  1.00  0.54           S
ATOM      0  H   CYS C  38      -0.191   8.429   0.138  1.00  0.37           H   new
ATOM      0  HA  CYS C  38      -0.056   9.751  -2.477  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.294   7.253  -1.400  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.670   8.070  -2.904  1.00  0.34           H   new
ATOM      0  HG  CYS C  38       3.629   9.281  -1.618  1.00  0.54           H   new
ATOM    522  N   HIS C  39      -1.853   7.162  -1.868  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.904   6.326  -2.435  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.262   6.995  -2.274  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.118   6.907  -3.150  1.00  0.61           O
ATOM    526  CB  HIS C  39      -2.935   4.952  -1.768  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.088   3.916  -2.438  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.368   2.571  -2.357  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.961   4.018  -3.185  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.453   1.888  -3.012  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.584   2.739  -3.528  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.786   7.126  -0.851  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.686   6.197  -3.495  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.607   5.057  -0.734  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -3.966   4.598  -1.742  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.454   4.931  -3.459  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -1.418   0.813  -3.111  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.231   2.490  -4.088  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.448   7.666  -1.149  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.723   8.283  -0.824  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.533   9.766  -0.543  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.468  10.181  -0.091  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.331   7.608   0.410  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.437   6.115   0.292  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -7.556   5.533  -0.282  1.00  0.71           C
ATOM    547  CD2 PHE C  40      -5.423   5.296   0.755  1.00  0.55           C
ATOM    548  CE1 PHE C  40      -7.661   4.161  -0.393  1.00  0.80           C
ATOM    549  CE2 PHE C  40      -5.523   3.924   0.647  1.00  0.66           C
ATOM    550  CZ  PHE C  40      -6.619   3.355   0.075  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.726   7.798  -0.441  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.394   8.161  -1.674  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.725   7.852   1.282  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.324   8.021   0.586  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -8.356   6.160  -0.647  1.00  0.71           H   new
ATOM      0  HD2 PHE C  40      -4.545   5.735   1.205  1.00  0.55           H   new
ATOM      0  HE1 PHE C  40      -8.539   3.715  -0.837  1.00  0.80           H   new
ATOM      0  HE2 PHE C  40      -4.726   3.297   1.019  1.00  0.66           H   new
ATOM      0  HZ  PHE C  40      -6.684   2.281  -0.017  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.555  10.586  -0.829  1.00  0.89           N
ATOM    561  CA  PRO C  41      -6.554  12.001  -0.464  1.00  1.04           C
ATOM    562  C   PRO C  41      -6.382  12.179   1.037  1.00  1.30           C
ATOM    563  O   PRO C  41      -6.893  11.388   1.833  1.00  1.93           O
ATOM    564  CB  PRO C  41      -7.934  12.504  -0.910  1.00  1.81           C
ATOM    565  CG  PRO C  41      -8.749  11.278  -1.130  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.780  10.210  -1.540  1.00  1.43           C
ATOM      0  HA  PRO C  41      -5.734  12.547  -0.930  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -8.383  13.144  -0.150  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -7.861  13.096  -1.822  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -9.282  10.995  -0.222  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -9.500  11.442  -1.903  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -8.126   9.218  -1.250  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -7.631  10.193  -2.620  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -5.665  13.228   1.409  1.00  1.64           N
ATOM    575  CA  ALA C  42      -5.328  13.493   2.804  1.00  2.34           C
ATOM    576  C   ALA C  42      -6.571  13.741   3.655  1.00  1.92           C
ATOM    577  O   ALA C  42      -6.504  13.710   4.885  1.00  2.41           O
ATOM    578  CB  ALA C  42      -4.379  14.678   2.896  1.00  3.30           C
ATOM      0  H   ALA C  42      -5.299  13.920   0.755  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -4.836  12.604   3.199  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -4.134  14.867   3.941  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -3.466  14.457   2.343  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -4.856  15.560   2.470  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -7.697  14.001   2.998  1.00  1.37           N
ATOM    585  CA  GLY C  43      -8.951  14.160   3.706  1.00  1.46           C
ATOM    586  C   GLY C  43      -9.485  12.839   4.228  1.00  1.21           C
ATOM    587  O   GLY C  43     -10.246  12.807   5.197  1.00  1.41           O
ATOM      0  H   GLY C  43      -7.762  14.104   1.985  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -8.811  14.848   4.539  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43      -9.688  14.610   3.041  1.00  1.46           H   new
ATOM    591  N   THR C  44      -9.079  11.747   3.590  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.504  10.419   3.997  1.00  0.76           C
ATOM    593  C   THR C  44      -8.748   9.991   5.254  1.00  0.65           C
ATOM    594  O   THR C  44      -7.532  10.177   5.351  1.00  0.73           O
ATOM    595  CB  THR C  44      -9.267   9.397   2.867  1.00  0.83           C
ATOM    596  OG1 THR C  44      -9.820   9.899   1.643  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.907   8.056   3.196  1.00  0.99           C
ATOM      0  H   THR C  44      -8.453  11.759   2.785  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.572  10.452   4.213  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -8.192   9.249   2.760  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -9.812   9.191   0.966  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.723   7.356   2.381  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.475   7.663   4.117  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.981   8.188   3.326  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.463   9.406   6.203  1.00  0.67           N
ATOM    606  CA  SER C  45      -8.893   9.091   7.501  1.00  0.69           C
ATOM    607  C   SER C  45      -8.232   7.717   7.496  1.00  0.61           C
ATOM    608  O   SER C  45      -8.830   6.723   7.073  1.00  0.66           O
ATOM    609  CB  SER C  45      -9.983   9.145   8.568  1.00  0.91           C
ATOM    610  OG  SER C  45     -10.663  10.391   8.537  1.00  1.60           O
ATOM      0  H   SER C  45     -10.442   9.140   6.096  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -8.125   9.831   7.727  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -10.694   8.334   8.408  1.00  0.91           H   new
ATOM      0  HB3 SER C  45      -9.541   8.992   9.553  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -11.358  10.402   9.228  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -6.989   7.681   7.958  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.221   6.447   8.034  1.00  0.70           C
ATOM    618  C   ARG C  46      -6.803   5.529   9.107  1.00  0.82           C
ATOM    619  O   ARG C  46      -6.847   5.894  10.284  1.00  0.97           O
ATOM    620  CB  ARG C  46      -4.760   6.771   8.347  1.00  0.86           C
ATOM    621  CG  ARG C  46      -3.852   5.556   8.395  1.00  1.10           C
ATOM    622  CD  ARG C  46      -2.423   5.950   8.728  1.00  1.09           C
ATOM    623  NE  ARG C  46      -2.315   6.555  10.055  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -1.298   7.324  10.445  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -0.317   7.621   9.602  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -1.267   7.806  11.681  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.487   8.504   8.290  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.274   5.932   7.075  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.383   7.463   7.594  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.711   7.286   9.306  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -4.221   4.852   9.141  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -3.876   5.043   7.434  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -1.783   5.069   8.679  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -2.057   6.652   7.979  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -3.064   6.378  10.724  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -0.338   7.260   8.648  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       0.458   8.210   9.908  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -2.021   7.588  12.332  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46      -0.489   8.394  11.980  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.256   4.329   8.713  1.00  0.82           N
ATOM    641  CA  PRO C  47      -7.906   3.394   9.630  1.00  1.01           C
ATOM    642  C   PRO C  47      -6.929   2.788  10.631  1.00  1.13           C
ATOM    643  O   PRO C  47      -5.841   2.342  10.264  1.00  1.14           O
ATOM    644  CB  PRO C  47      -8.466   2.312   8.702  1.00  1.02           C
ATOM    645  CG  PRO C  47      -7.593   2.353   7.496  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.161   3.787   7.344  1.00  0.70           C
ATOM      0  HA  PRO C  47      -8.666   3.884  10.239  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -8.438   1.331   9.177  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -9.506   2.512   8.444  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -6.731   1.697   7.616  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.132   2.012   6.612  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.146   3.860   6.954  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -7.807   4.329   6.653  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -7.323   2.787  11.896  1.00  1.31           N
ATOM    655  CA  GLY C  48      -6.509   2.183  12.932  1.00  1.49           C
ATOM    656  C   GLY C  48      -6.818   0.712  13.090  1.00  1.61           C
ATOM    657  O   GLY C  48      -6.084  -0.024  13.749  1.00  1.90           O
ATOM      0  H   GLY C  48      -8.197   3.196  12.225  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -5.454   2.310  12.688  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -6.682   2.696  13.878  1.00  1.49           H   new
ATOM    661  N   THR C  49      -7.903   0.279  12.462  1.00  1.53           N
ATOM    662  CA  THR C  49      -8.326  -1.110  12.513  1.00  1.70           C
ATOM    663  C   THR C  49      -7.693  -1.907  11.376  1.00  1.25           C
ATOM    664  O   THR C  49      -8.316  -2.797  10.791  1.00  1.89           O
ATOM    665  CB  THR C  49      -9.860  -1.213  12.428  1.00  2.25           C
ATOM    666  OG1 THR C  49     -10.345  -0.418  11.337  1.00  2.72           O
ATOM    667  CG2 THR C  49     -10.505  -0.747  13.724  1.00  2.75           C
ATOM      0  H   THR C  49      -8.511   0.880  11.906  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -7.996  -1.528  13.464  1.00  1.70           H   new
ATOM      0  HB  THR C  49     -10.124  -2.258  12.263  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -11.321  -0.490  11.288  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -11.589  -0.829  13.641  1.00  2.75           H   new
ATOM      0 HG22 THR C  49     -10.156  -1.369  14.548  1.00  2.75           H   new
ATOM      0 HG23 THR C  49     -10.233   0.291  13.913  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -6.445  -1.580  11.074  1.00  0.82           N
ATOM    676  CA  GLY C  50      -5.752  -2.232   9.993  1.00  0.74           C
ATOM    677  C   GLY C  50      -5.627  -1.336   8.783  1.00  0.57           C
ATOM    678  O   GLY C  50      -6.626  -0.832   8.272  1.00  0.60           O
ATOM      0  H   GLY C  50      -5.901  -0.870  11.564  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -4.759  -2.532  10.327  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -6.284  -3.142   9.717  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -4.399  -1.124   8.333  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.155  -0.309   7.157  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.652  -1.054   5.921  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.249  -2.188   5.660  1.00  0.33           O
ATOM    686  CB  LEU C  51      -2.658   0.012   7.045  1.00  0.50           C
ATOM    687  CG  LEU C  51      -2.287   1.272   6.247  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.608   1.112   4.769  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -2.998   2.490   6.816  1.00  0.86           C
ATOM      0  H   LEU C  51      -3.558  -1.506   8.766  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -4.695   0.634   7.238  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -2.254   0.114   8.052  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.159  -0.842   6.587  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -1.211   1.417   6.339  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.332   2.022   4.236  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.046   0.270   4.364  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.675   0.929   4.646  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -2.724   3.374   6.239  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -4.076   2.341   6.761  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -2.704   2.630   7.856  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.537  -0.423   5.172  1.00  0.32           N
ATOM    702  CA  ARG C  52      -6.164  -1.070   4.035  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.776  -0.383   2.735  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.870   0.836   2.612  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.683  -1.072   4.222  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.123  -1.872   5.438  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.611  -1.745   5.707  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.009  -2.522   6.880  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.093  -2.276   7.611  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -11.905  -1.278   7.291  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -11.364  -3.035   8.665  1.00  2.65           N
ATOM      0  H   ARG C  52      -5.838   0.538   5.331  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.813  -2.100   3.976  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -8.034  -0.045   4.321  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -8.154  -1.485   3.330  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.872  -2.922   5.289  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -7.568  -1.533   6.313  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.867  -0.696   5.859  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52     -10.170  -2.086   4.836  1.00  0.79           H   new
ATOM      0  HE  ARG C  52      -9.416  -3.305   7.156  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.700  -0.694   6.480  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -12.735  -1.094   7.855  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -10.742  -3.804   8.913  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -12.194  -2.849   9.227  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -5.308  -1.180   1.778  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.946  -0.673   0.460  1.00  0.41           C
ATOM    727  C   CYS C  53      -6.214  -0.337  -0.329  1.00  0.45           C
ATOM    728  O   CYS C  53      -7.310  -0.651   0.130  1.00  0.47           O
ATOM    729  CB  CYS C  53      -4.100  -1.708  -0.285  1.00  0.47           C
ATOM    730  SG  CYS C  53      -5.033  -3.137  -0.888  1.00  0.49           S
ATOM      0  H   CYS C  53      -5.171  -2.184   1.893  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -4.354   0.236   0.571  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -3.615  -1.222  -1.131  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -3.309  -2.059   0.378  1.00  0.47           H   new
ATOM      0  HG  CYS C  53      -5.727  -3.645   0.087  1.00  0.49           H   new
ATOM    735  N   ARG C  54      -6.071   0.254  -1.518  1.00  0.58           N
ATOM    736  CA  ARG C  54      -7.228   0.798  -2.241  1.00  0.68           C
ATOM    737  C   ARG C  54      -8.287  -0.274  -2.499  1.00  0.64           C
ATOM    738  O   ARG C  54      -9.486  -0.007  -2.410  1.00  0.68           O
ATOM    739  CB  ARG C  54      -6.801   1.452  -3.564  1.00  0.87           C
ATOM    740  CG  ARG C  54      -6.475   0.469  -4.679  1.00  1.28           C
ATOM    741  CD  ARG C  54      -6.008   1.182  -5.936  1.00  1.82           C
ATOM    742  NE  ARG C  54      -7.005   2.121  -6.446  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -6.815   2.901  -7.508  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -5.685   2.825  -8.203  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -7.761   3.750  -7.882  1.00  4.09           N
ATOM      0  H   ARG C  54      -5.178   0.368  -1.997  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -7.670   1.564  -1.604  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -7.599   2.113  -3.902  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -5.926   2.076  -3.380  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -5.700  -0.220  -4.342  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -7.357  -0.130  -4.906  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -5.083   1.718  -5.724  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -5.780   0.444  -6.706  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -7.899   2.182  -5.959  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -4.958   2.167  -7.924  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -5.545   3.425  -9.016  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -8.633   3.805  -7.356  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -7.617   4.348  -8.695  1.00  4.09           H   new
ATOM    759  N   SER C  55      -7.844  -1.488  -2.800  1.00  0.62           N
ATOM    760  CA  SER C  55      -8.761  -2.582  -3.064  1.00  0.65           C
ATOM    761  C   SER C  55      -9.481  -2.992  -1.782  1.00  0.60           C
ATOM    762  O   SER C  55     -10.675  -3.286  -1.793  1.00  0.68           O
ATOM    763  CB  SER C  55      -8.004  -3.768  -3.672  1.00  0.72           C
ATOM    764  OG  SER C  55      -8.885  -4.822  -4.025  1.00  1.54           O
ATOM      0  H   SER C  55      -6.857  -1.737  -2.867  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -9.512  -2.251  -3.782  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -7.458  -3.438  -4.556  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -7.265  -4.134  -2.959  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -8.372  -5.562  -4.411  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -8.752  -2.987  -0.674  1.00  0.52           N
ATOM    771  CA  CYS C  56      -9.313  -3.370   0.614  1.00  0.54           C
ATOM    772  C   CYS C  56     -10.252  -2.300   1.170  1.00  0.61           C
ATOM    773  O   CYS C  56     -11.228  -2.618   1.847  1.00  0.72           O
ATOM    774  CB  CYS C  56      -8.198  -3.676   1.612  1.00  0.50           C
ATOM    775  SG  CYS C  56      -7.327  -5.222   1.272  1.00  0.65           S
ATOM      0  H   CYS C  56      -7.768  -2.721  -0.642  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -9.905  -4.272   0.457  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -7.481  -2.855   1.605  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -8.622  -3.721   2.615  1.00  0.50           H   new
ATOM      0  HG  CYS C  56      -6.083  -5.108   1.633  1.00  0.65           H   new
ATOM    780  N   SER C  57      -9.956  -1.036   0.892  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.793   0.057   1.364  1.00  0.74           C
ATOM    782  C   SER C  57     -11.972   0.285   0.422  1.00  0.89           C
ATOM    783  O   SER C  57     -12.939   0.969   0.768  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.959   1.331   1.490  1.00  0.78           C
ATOM    785  OG  SER C  57      -9.246   1.583   0.293  1.00  1.25           O
ATOM      0  H   SER C  57      -9.146  -0.745   0.345  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -11.190  -0.208   2.344  1.00  0.74           H   new
ATOM      0  HB2 SER C  57     -10.609   2.176   1.717  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -9.261   1.234   2.321  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -8.564   2.267   0.457  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.883  -0.289  -0.770  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.979  -0.225  -1.710  1.00  1.06           C
ATOM    793  C   GLY C  58     -13.932  -1.377  -1.507  1.00  1.50           C
ATOM    794  O   GLY C  58     -15.115  -1.177  -1.229  1.00  2.19           O
ATOM      0  H   GLY C  58     -11.065  -0.800  -1.102  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -13.512   0.718  -1.589  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -12.591  -0.244  -2.728  1.00  1.06           H   new