USER  MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=15
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  151:sc=    2.11
USER  MOD Set 1.2: C  30 CYS SG  :   rot  -48:sc=   0.502
USER  MOD Set 1.3: C  53 CYS SG  :   rot -133:sc=    1.02
USER  MOD Set 1.4: C  56 CYS SG  :   rot  144:sc= -0.0697
USER  MOD Set 2.1: C  28 THR OG1 :   rot  150:sc=       0
USER  MOD Set 2.2: C  29 HIS     :     no HD1:sc=   -0.18  X(o=-0.18,f=-0.0099)
USER  MOD Set 3.1: C  15 CYS SG  :   rot -165:sc=   0.648
USER  MOD Set 3.2: C  18 CYS SG  :   rot  -71:sc=    1.33
USER  MOD Set 3.3: C  35 HIS     :     no HE2:sc=   -1.02  K(o=0.13,f=-0.4)
USER  MOD Set 3.4: C  38 CYS SG  :   rot -165:sc=  -0.819
USER  MOD Single : C  22 THR OG1 :   rot  114:sc=    1.11
USER  MOD Single : C  39 HIS     :     no HD1:sc=    -1.5  K(o=-1.5,f=-2.8!)
USER  MOD Single : C  44 THR OG1 :   rot   79:sc=    0.83
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=    0.05
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot  -92:sc=    1.27
USER  MOD -----------------------------------------------------------------
ATOM    167  N   ARG C  14       7.171  -1.081  -2.068  1.00  1.06           N
ATOM    168  CA  ARG C  14       7.598   0.302  -1.894  1.00  0.77           C
ATOM    169  C   ARG C  14       6.535   1.222  -2.476  1.00  0.65           C
ATOM    170  O   ARG C  14       5.884   0.874  -3.462  1.00  0.73           O
ATOM    171  CB  ARG C  14       8.940   0.547  -2.595  1.00  0.75           C
ATOM    172  CG  ARG C  14       9.464   1.966  -2.429  1.00  1.01           C
ATOM    173  CD  ARG C  14      10.699   2.213  -3.276  1.00  1.12           C
ATOM    174  NE  ARG C  14      11.829   1.381  -2.870  1.00  1.74           N
ATOM    175  CZ  ARG C  14      12.978   1.310  -3.541  1.00  2.20           C
ATOM    176  NH1 ARG C  14      13.140   2.001  -4.663  1.00  2.19           N
ATOM    177  NH2 ARG C  14      13.964   0.546  -3.091  1.00  3.18           N
ATOM      0  HA  ARG C  14       7.727   0.506  -0.831  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14       9.678  -0.152  -2.203  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       8.830   0.331  -3.658  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14       8.685   2.676  -2.706  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14       9.700   2.146  -1.380  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      10.464   2.016  -4.322  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      10.981   3.264  -3.205  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      11.733   0.821  -2.023  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      12.384   2.589  -5.014  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      14.021   1.944  -5.174  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      13.843   0.012  -2.230  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      14.843   0.492  -3.605  1.00  3.18           H   new
ATOM    191  N   CYS C  15       6.345   2.379  -1.860  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.377   3.346  -2.347  1.00  0.46           C
ATOM    193  C   CYS C  15       5.890   3.976  -3.639  1.00  0.42           C
ATOM    194  O   CYS C  15       6.754   4.855  -3.618  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.140   4.408  -1.270  1.00  0.46           C
ATOM    196  SG  CYS C  15       3.960   5.705  -1.709  1.00  0.48           S
ATOM      0  H   CYS C  15       6.849   2.670  -1.022  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       4.429   2.853  -2.562  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       4.789   3.912  -0.365  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.095   4.875  -1.028  1.00  0.46           H   new
ATOM      0  HG  CYS C  15       4.069   6.693  -0.871  1.00  0.48           H   new
ATOM    201  N   GLY C  16       5.331   3.537  -4.761  1.00  0.56           N
ATOM    202  CA  GLY C  16       5.798   3.984  -6.059  1.00  0.65           C
ATOM    203  C   GLY C  16       5.102   5.241  -6.515  1.00  0.54           C
ATOM    204  O   GLY C  16       5.427   5.800  -7.563  1.00  0.61           O
ATOM      0  H   GLY C  16       4.556   2.874  -4.794  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       6.872   4.162  -6.015  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       5.636   3.195  -6.793  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.137   5.687  -5.727  1.00  0.52           N
ATOM    209  CA  VAL C  17       3.424   6.922  -6.018  1.00  0.65           C
ATOM    210  C   VAL C  17       4.368   8.111  -5.859  1.00  0.66           C
ATOM    211  O   VAL C  17       4.224   9.135  -6.528  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.201   7.101  -5.094  1.00  0.78           C
ATOM    213  CG1 VAL C  17       1.386   8.321  -5.496  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.334   5.851  -5.105  1.00  0.94           C
ATOM      0  H   VAL C  17       3.828   5.212  -4.879  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.065   6.869  -7.046  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       2.566   7.259  -4.079  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       0.530   8.423  -4.828  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       2.008   9.213  -5.427  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       1.034   8.202  -6.521  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.477   5.997  -4.448  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       0.985   5.659  -6.120  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       1.918   5.000  -4.756  1.00  0.94           H   new
ATOM    224  N   CYS C  18       5.347   7.952  -4.978  1.00  0.55           N
ATOM    225  CA  CYS C  18       6.361   8.972  -4.776  1.00  0.70           C
ATOM    226  C   CYS C  18       7.742   8.417  -5.120  1.00  0.68           C
ATOM    227  O   CYS C  18       8.574   9.112  -5.699  1.00  0.84           O
ATOM    228  CB  CYS C  18       6.334   9.474  -3.330  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.697   8.199  -2.104  1.00  0.82           S
ATOM      0  H   CYS C  18       5.458   7.124  -4.392  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       6.147   9.812  -5.437  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       7.057  10.283  -3.223  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       5.351   9.896  -3.121  1.00  0.82           H   new
ATOM      0  HG  CYS C  18       5.696   7.373  -2.027  1.00  0.82           H   new
ATOM    234  N   GLY C  19       7.972   7.154  -4.765  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.249   6.523  -5.036  1.00  0.67           C
ATOM    236  C   GLY C  19      10.013   6.227  -3.761  1.00  0.68           C
ATOM    237  O   GLY C  19      11.065   5.586  -3.787  1.00  0.77           O
ATOM      0  H   GLY C  19       7.293   6.557  -4.293  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.087   5.596  -5.586  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19       9.847   7.173  -5.675  1.00  0.67           H   new
ATOM    241  N   ASP C  20       9.474   6.687  -2.644  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.120   6.520  -1.350  1.00  0.70           C
ATOM    243  C   ASP C  20       9.371   5.496  -0.501  1.00  0.52           C
ATOM    244  O   ASP C  20       8.149   5.368  -0.596  1.00  0.44           O
ATOM    245  CB  ASP C  20      10.185   7.871  -0.630  1.00  0.80           C
ATOM    246  CG  ASP C  20      10.769   7.770   0.763  1.00  1.30           C
ATOM    247  OD1 ASP C  20      12.006   7.769   0.890  1.00  1.40           O
ATOM    248  OD2 ASP C  20       9.995   7.693   1.741  1.00  2.10           O
ATOM      0  H   ASP C  20       8.584   7.183  -2.607  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.133   6.150  -1.506  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      10.785   8.563  -1.221  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20       9.182   8.292  -0.568  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.111   4.754   0.314  1.00  0.55           N
ATOM    254  CA  GLY C  21       9.507   3.760   1.180  1.00  0.51           C
ATOM    255  C   GLY C  21       9.784   4.037   2.647  1.00  0.45           C
ATOM    256  O   GLY C  21       9.615   3.161   3.496  1.00  0.51           O
ATOM      0  H   GLY C  21      11.126   4.824   0.390  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       8.430   3.740   1.012  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21       9.889   2.773   0.919  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.206   5.259   2.948  1.00  0.44           N
ATOM    261  CA  THR C  22      10.572   5.637   4.305  1.00  0.46           C
ATOM    262  C   THR C  22       9.323   5.951   5.129  1.00  0.39           C
ATOM    263  O   THR C  22       8.436   6.676   4.662  1.00  0.41           O
ATOM    264  CB  THR C  22      11.506   6.863   4.297  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.523   6.691   3.300  1.00  1.06           O
ATOM    266  CG2 THR C  22      12.162   7.061   5.653  1.00  0.90           C
ATOM      0  H   THR C  22      10.303   6.009   2.264  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.097   4.796   4.758  1.00  0.46           H   new
ATOM      0  HB  THR C  22      10.906   7.744   4.070  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.404   7.359   2.593  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      12.815   7.933   5.617  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      11.393   7.214   6.410  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.749   6.178   5.906  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.263   5.403   6.349  1.00  0.41           N
ATOM    275  CA  ASP C  23       8.085   5.535   7.209  1.00  0.45           C
ATOM    276  C   ASP C  23       6.837   5.154   6.434  1.00  0.38           C
ATOM    277  O   ASP C  23       5.893   5.936   6.311  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.954   6.957   7.767  1.00  0.59           C
ATOM    279  CG  ASP C  23       8.740   7.165   9.046  1.00  1.39           C
ATOM    280  OD1 ASP C  23       9.985   7.282   8.974  1.00  2.23           O
ATOM    281  OD2 ASP C  23       8.120   7.214  10.130  1.00  1.75           O
ATOM      0  H   ASP C  23      10.022   4.862   6.763  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       8.204   4.859   8.056  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       8.297   7.669   7.016  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       6.902   7.173   7.954  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.852   3.947   5.899  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.812   3.504   4.997  1.00  0.31           C
ATOM    288  C   VAL C  24       4.750   2.702   5.746  1.00  0.32           C
ATOM    289  O   VAL C  24       5.049   2.018   6.725  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.417   2.663   3.846  1.00  0.36           C
ATOM    291  CG1 VAL C  24       6.798   1.264   4.310  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.472   2.612   2.663  1.00  1.16           C
ATOM      0  H   VAL C  24       7.579   3.254   6.077  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.333   4.384   4.568  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.335   3.155   3.525  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.219   0.705   3.474  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.537   1.334   5.108  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       5.911   0.750   4.681  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       5.918   2.016   1.867  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       4.529   2.160   2.970  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.289   3.623   2.300  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.510   2.814   5.299  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.422   2.058   5.889  1.00  0.30           C
ATOM    304  C   LEU C  25       2.322   0.696   5.227  1.00  0.30           C
ATOM    305  O   LEU C  25       2.564   0.552   4.027  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.092   2.809   5.752  1.00  0.31           C
ATOM    307  CG  LEU C  25       0.964   4.078   6.596  1.00  0.37           C
ATOM    308  CD1 LEU C  25      -0.369   4.755   6.329  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.105   3.756   8.077  1.00  0.48           C
ATOM      0  H   LEU C  25       3.233   3.422   4.528  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.630   1.929   6.951  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       0.951   3.074   4.704  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.282   2.131   6.021  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       1.767   4.760   6.315  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25      -0.447   5.657   6.936  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.437   5.021   5.274  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -1.181   4.074   6.585  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.011   4.673   8.659  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.324   3.056   8.373  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.082   3.308   8.261  1.00  0.48           H   new
ATOM    321  N   ARG C  26       1.980  -0.297   6.020  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.853  -1.656   5.534  1.00  0.33           C
ATOM    323  C   ARG C  26       0.386  -2.053   5.481  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.406  -1.641   6.331  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.621  -2.608   6.453  1.00  0.42           C
ATOM    326  CG  ARG C  26       4.122  -2.356   6.486  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.769  -2.638   5.140  1.00  0.95           C
ATOM    328  NE  ARG C  26       4.564  -4.024   4.718  1.00  1.64           N
ATOM    329  CZ  ARG C  26       5.416  -4.708   3.954  1.00  2.21           C
ATOM    330  NH1 ARG C  26       6.534  -4.136   3.521  1.00  2.24           N
ATOM    331  NH2 ARG C  26       5.147  -5.967   3.630  1.00  3.18           N
ATOM      0  H   ARG C  26       1.783  -0.187   7.015  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.271  -1.717   4.529  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.225  -2.519   7.465  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.442  -3.633   6.130  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.311  -1.321   6.771  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.580  -2.985   7.249  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.355  -1.965   4.390  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       5.837  -2.431   5.200  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       3.715  -4.497   5.028  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       6.743  -3.170   3.773  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       7.183  -4.663   2.937  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       4.291  -6.408   3.965  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       5.797  -6.493   3.046  1.00  3.18           H   new
ATOM    345  N   CYS C  27       0.025  -2.832   4.473  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.336  -3.318   4.352  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.570  -4.426   5.370  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.705  -5.271   5.588  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.612  -3.830   2.931  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.373  -4.032   2.568  1.00  0.37           S
ATOM      0  H   CYS C  27       0.654  -3.139   3.731  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.022  -2.494   4.549  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.178  -3.135   2.212  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.108  -4.787   2.794  1.00  0.29           H   new
ATOM      0  HG  CYS C  27      -3.576  -3.859   1.296  1.00  0.37           H   new
ATOM    355  N   THR C  28      -2.726  -4.402   6.012  1.00  0.25           N
ATOM    356  CA  THR C  28      -3.066  -5.424   6.985  1.00  0.31           C
ATOM    357  C   THR C  28      -3.807  -6.579   6.324  1.00  0.33           C
ATOM    358  O   THR C  28      -3.869  -7.684   6.860  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.934  -4.842   8.111  1.00  0.39           C
ATOM    360  OG1 THR C  28      -5.099  -4.218   7.554  1.00  0.75           O
ATOM    361  CG2 THR C  28      -3.152  -3.826   8.929  1.00  0.72           C
ATOM      0  H   THR C  28      -3.442  -3.688   5.877  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -2.133  -5.795   7.409  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -4.235  -5.658   8.768  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -5.840  -4.280   8.192  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.788  -3.428   9.720  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -2.281  -4.309   9.372  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.826  -3.012   8.282  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.366  -6.316   5.150  1.00  0.31           N
ATOM    370  CA  HIS C  29      -5.135  -7.326   4.429  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.242  -8.103   3.470  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.552  -9.233   3.095  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.300  -6.683   3.670  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.395  -6.171   4.557  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.660  -6.716   4.583  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.415  -5.145   5.444  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -9.408  -6.050   5.443  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.677  -5.093   5.979  1.00  1.43           N
ATOM      0  H   HIS C  29      -4.303  -5.415   4.676  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.544  -8.023   5.160  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -5.918  -5.858   3.069  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.718  -7.415   2.979  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -6.590  -4.490   5.684  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29     -10.444  -6.255   5.669  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -8.998  -4.423   6.678  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -3.141  -7.488   3.064  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.170  -8.148   2.207  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.787  -7.558   2.471  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.595  -6.853   3.455  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.552  -7.990   0.732  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.063  -6.414   0.003  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.898  -6.530   3.316  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.157  -9.214   2.433  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.094  -8.798   0.162  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.632  -8.103   0.634  1.00  0.42           H   new
ATOM      0  HG  CYS C  30      -2.428  -5.442   0.786  1.00  0.79           H   new
ATOM    397  N   ALA C  31       0.161  -7.829   1.594  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.496  -7.279   1.726  1.00  0.37           C
ATOM    399  C   ALA C  31       1.697  -6.133   0.741  1.00  0.36           C
ATOM    400  O   ALA C  31       1.691  -6.338  -0.473  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.542  -8.362   1.508  1.00  0.47           C
ATOM      0  H   ALA C  31       0.030  -8.429   0.780  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.612  -6.889   2.737  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.538  -7.932   1.611  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.409  -9.150   2.249  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.429  -8.781   0.508  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.874  -4.929   1.268  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.062  -3.747   0.436  1.00  0.35           C
ATOM    409  C   ALA C  32       2.628  -2.602   1.255  1.00  0.33           C
ATOM    410  O   ALA C  32       2.273  -2.431   2.422  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.748  -3.321  -0.213  1.00  0.37           C
ATOM      0  H   ALA C  32       1.891  -4.744   2.271  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.771  -4.003  -0.351  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.916  -2.437  -0.828  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.371  -4.131  -0.837  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.017  -3.090   0.562  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.508  -1.830   0.637  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.081  -0.653   1.267  1.00  0.38           C
ATOM    419  C   ALA C  33       3.572   0.596   0.567  1.00  0.37           C
ATOM    420  O   ALA C  33       3.816   0.795  -0.626  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.599  -0.715   1.228  1.00  0.45           C
ATOM      0  H   ALA C  33       3.843  -2.001  -0.311  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.775  -0.620   2.313  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.012   0.174   1.704  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.941  -1.603   1.760  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       5.935  -0.761   0.192  1.00  0.45           H   new
ATOM    427  N   PHE C  34       2.850   1.427   1.298  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.233   2.606   0.720  1.00  0.36           C
ATOM    429  C   PHE C  34       2.175   3.740   1.731  1.00  0.32           C
ATOM    430  O   PHE C  34       2.218   3.513   2.935  1.00  0.36           O
ATOM    431  CB  PHE C  34       0.823   2.266   0.230  1.00  0.45           C
ATOM    432  CG  PHE C  34      -0.110   1.806   1.316  1.00  0.47           C
ATOM    433  CD1 PHE C  34      -0.071   0.498   1.773  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -1.024   2.681   1.878  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.924   0.073   2.771  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.882   2.261   2.876  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.830   0.956   3.323  1.00  0.61           C
ATOM      0  H   PHE C  34       2.677   1.306   2.296  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       2.839   2.934  -0.124  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       0.396   3.145  -0.253  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       0.892   1.487  -0.529  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.635  -0.197   1.343  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -1.067   3.703   1.532  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -0.883  -0.948   3.119  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.592   2.952   3.306  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.498   0.626   4.105  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.102   4.962   1.234  1.00  0.32           N
ATOM    448  CA  HIS C  35       1.895   6.121   2.092  1.00  0.32           C
ATOM    449  C   HIS C  35       0.449   6.570   1.976  1.00  0.33           C
ATOM    450  O   HIS C  35      -0.081   6.695   0.869  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.821   7.274   1.696  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.278   6.991   1.885  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.210   7.491   1.023  1.00  0.42           N
ATOM    454  CD2 HIS C  35       4.905   6.262   2.838  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.382   7.060   1.448  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.252   6.307   2.555  1.00  0.42           N
ATOM      0  H   HIS C  35       2.183   5.180   0.241  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.123   5.839   3.120  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.645   7.522   0.649  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.556   8.154   2.281  1.00  0.33           H   new
ATOM      0  HD1 HIS C  35       5.035   8.082   0.210  1.00  0.42           H   new
ATOM      0  HD2 HIS C  35       4.438   5.744   3.663  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.324   7.283   0.969  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.183   6.801   3.124  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.577   7.228   3.168  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.773   8.522   2.390  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.753   8.673   1.672  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.037   7.414   4.618  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.504   7.702   4.757  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.089   8.913   4.992  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.573   6.752   4.673  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.455   8.775   5.058  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.776   7.458   4.864  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.629   5.375   4.453  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -7.018   6.830   4.838  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.862   4.752   4.431  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -7.042   5.481   4.622  1.00  0.68           C
ATOM      0  H   TRP C  36       0.252   6.699   4.041  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -2.182   6.449   2.703  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.798   6.513   5.183  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.472   8.231   5.066  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.556   9.845   5.109  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.121   9.530   5.224  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.724   4.806   4.302  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -7.930   7.389   4.983  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.916   3.686   4.264  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.991   4.966   4.598  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -0.820   9.441   2.518  1.00  0.35           N
ATOM    489  CA  ARG C  37      -0.916  10.740   1.861  1.00  0.44           C
ATOM    490  C   ARG C  37      -0.695  10.622   0.355  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.264  11.385  -0.422  1.00  0.51           O
ATOM    492  CB  ARG C  37       0.092  11.721   2.459  1.00  0.61           C
ATOM    493  CG  ARG C  37      -0.129  12.004   3.938  1.00  0.70           C
ATOM    494  CD  ARG C  37       0.859  13.037   4.458  1.00  1.05           C
ATOM    495  NE  ARG C  37       2.249  12.652   4.200  1.00  1.72           N
ATOM    496  CZ  ARG C  37       3.053  13.289   3.347  1.00  2.32           C
ATOM    497  NH1 ARG C  37       2.598  14.312   2.634  1.00  2.37           N
ATOM    498  NH2 ARG C  37       4.309  12.889   3.191  1.00  3.33           N
ATOM      0  H   ARG C  37       0.027   9.310   3.071  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -1.925  11.118   2.029  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       1.097  11.323   2.321  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37       0.042  12.660   1.908  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -1.147  12.361   4.094  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.025  11.080   4.507  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       0.657  13.999   3.988  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37       0.713  13.169   5.530  1.00  1.05           H   new
ATOM      0  HE  ARG C  37       2.625  11.848   4.703  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       1.629  14.615   2.737  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       3.217  14.796   1.983  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37       4.661  12.093   3.724  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       4.922  13.377   2.538  1.00  3.33           H   new
ATOM    512  N   CYS C  38       0.132   9.666  -0.055  1.00  0.37           N
ATOM    513  CA  CYS C  38       0.391   9.442  -1.475  1.00  0.36           C
ATOM    514  C   CYS C  38      -0.814   8.797  -2.156  1.00  0.36           C
ATOM    515  O   CYS C  38      -0.984   8.898  -3.368  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.629   8.564  -1.675  1.00  0.34           C
ATOM    517  SG  CYS C  38       3.191   9.332  -1.179  1.00  0.54           S
ATOM      0  H   CYS C  38       0.633   9.036   0.572  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.573  10.415  -1.932  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.498   7.641  -1.110  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.694   8.287  -2.727  1.00  0.34           H   new
ATOM      0  HG  CYS C  38       4.184   8.651  -1.669  1.00  0.54           H   new
ATOM    522  N   HIS C  39      -1.642   8.124  -1.368  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.825   7.462  -1.902  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.055   8.343  -1.740  1.00  0.46           C
ATOM    525  O   HIS C  39      -4.762   8.625  -2.707  1.00  0.61           O
ATOM    526  CB  HIS C  39      -3.066   6.121  -1.201  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.170   5.009  -1.657  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.601   3.706  -1.778  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.857   5.001  -1.989  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.592   2.944  -2.158  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.523   3.705  -2.297  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.517   8.022  -0.361  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.650   7.282  -2.963  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.935   6.258  -0.128  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -4.102   5.824  -1.360  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.196   5.855  -2.008  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -1.634   1.878  -2.327  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.401   3.383  -2.586  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.295   8.782  -0.516  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.495   9.529  -0.186  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.148  10.967   0.187  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.117  11.226   0.811  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.223   8.855   0.983  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.618   7.429   0.713  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -7.818   7.137   0.086  1.00  0.71           C
ATOM    547  CD2 PHE C  40      -5.790   6.383   1.086  1.00  0.55           C
ATOM    548  CE1 PHE C  40      -8.186   5.829  -0.163  1.00  0.80           C
ATOM    549  CE2 PHE C  40      -6.152   5.073   0.840  1.00  0.66           C
ATOM    550  CZ  PHE C  40      -7.342   4.792   0.217  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.666   8.631   0.273  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.145   9.542  -1.061  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.581   8.884   1.863  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.117   9.431   1.222  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -8.474   7.942  -0.212  1.00  0.71           H   new
ATOM      0  HD2 PHE C  40      -4.850   6.594   1.575  1.00  0.55           H   new
ATOM      0  HE1 PHE C  40      -9.125   5.613  -0.651  1.00  0.80           H   new
ATOM      0  HE2 PHE C  40      -5.497   4.268   1.139  1.00  0.66           H   new
ATOM      0  HZ  PHE C  40      -7.622   3.767   0.022  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.001  11.923  -0.213  1.00  0.89           N
ATOM    561  CA  PRO C  41      -5.858  13.326   0.177  1.00  1.04           C
ATOM    562  C   PRO C  41      -5.920  13.490   1.690  1.00  1.30           C
ATOM    563  O   PRO C  41      -6.525  12.675   2.391  1.00  1.93           O
ATOM    564  CB  PRO C  41      -7.057  14.014  -0.482  1.00  1.81           C
ATOM    565  CG  PRO C  41      -7.465  13.099  -1.580  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.159  11.715  -1.092  1.00  1.43           C
ATOM      0  HA  PRO C  41      -4.900  13.744  -0.131  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -7.868  14.163   0.231  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -6.786  14.997  -0.867  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -8.526  13.208  -1.807  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -6.919  13.320  -2.497  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -8.002  11.281  -0.553  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -6.925  11.039  -1.915  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -5.312  14.564   2.174  1.00  1.64           N
ATOM    575  CA  ALA C  42      -5.137  14.799   3.608  1.00  2.34           C
ATOM    576  C   ALA C  42      -6.467  14.940   4.347  1.00  1.92           C
ATOM    577  O   ALA C  42      -6.509  14.873   5.576  1.00  2.41           O
ATOM    578  CB  ALA C  42      -4.277  16.033   3.834  1.00  3.30           C
ATOM      0  H   ALA C  42      -4.924  15.301   1.585  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -4.636  13.922   4.018  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -4.153  16.199   4.904  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -3.300  15.885   3.374  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -4.761  16.901   3.386  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -7.546  15.136   3.597  1.00  1.37           N
ATOM    585  CA  GLY C  43      -8.864  15.236   4.193  1.00  1.46           C
ATOM    586  C   GLY C  43      -9.511  13.877   4.398  1.00  1.21           C
ATOM    587  O   GLY C  43     -10.662  13.786   4.831  1.00  1.41           O
ATOM      0  H   GLY C  43      -7.530  15.228   2.581  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -8.788  15.748   5.152  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43      -9.503  15.847   3.555  1.00  1.46           H   new
ATOM    591  N   THR C  44      -8.777  12.821   4.078  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.255  11.463   4.284  1.00  0.76           C
ATOM    593  C   THR C  44      -8.794  10.960   5.651  1.00  0.65           C
ATOM    594  O   THR C  44      -7.640  11.164   6.038  1.00  0.73           O
ATOM    595  CB  THR C  44      -8.729  10.520   3.185  1.00  0.83           C
ATOM    596  OG1 THR C  44      -8.833  11.162   1.906  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.514   9.215   3.163  1.00  0.99           C
ATOM      0  H   THR C  44      -7.843  12.880   3.672  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.344  11.471   4.239  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -7.685  10.292   3.401  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -8.095  11.797   1.798  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.122   8.568   2.378  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.417   8.716   4.127  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.565   9.426   2.968  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.687  10.306   6.379  1.00  0.67           N
ATOM    606  CA  SER C  45      -9.387   9.867   7.732  1.00  0.69           C
ATOM    607  C   SER C  45      -8.760   8.475   7.735  1.00  0.61           C
ATOM    608  O   SER C  45      -9.268   7.549   7.099  1.00  0.66           O
ATOM    609  CB  SER C  45     -10.665   9.882   8.571  1.00  0.91           C
ATOM    610  OG  SER C  45     -11.271  11.165   8.543  1.00  1.60           O
ATOM      0  H   SER C  45     -10.624  10.068   6.055  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -8.663  10.555   8.168  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -11.364   9.136   8.191  1.00  0.91           H   new
ATOM      0  HB3 SER C  45     -10.433   9.607   9.600  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -12.088  11.153   9.084  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -7.645   8.345   8.445  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.913   7.088   8.511  1.00  0.70           C
ATOM    618  C   ARG C  46      -7.556   6.144   9.527  1.00  0.82           C
ATOM    619  O   ARG C  46      -7.613   6.448  10.722  1.00  0.97           O
ATOM    620  CB  ARG C  46      -5.452   7.349   8.883  1.00  0.86           C
ATOM    621  CG  ARG C  46      -4.547   6.141   8.704  1.00  1.10           C
ATOM    622  CD  ARG C  46      -3.127   6.439   9.157  1.00  1.09           C
ATOM    623  NE  ARG C  46      -2.579   7.630   8.508  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -1.303   8.002   8.587  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -0.428   7.257   9.256  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -0.906   9.126   8.001  1.00  2.68           N
ATOM      0  H   ARG C  46      -7.227   9.102   8.986  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.949   6.614   7.530  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -5.073   8.169   8.273  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -5.404   7.676   9.922  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -4.943   5.300   9.274  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -4.541   5.841   7.656  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -3.114   6.578  10.238  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -2.490   5.582   8.938  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -3.214   8.212   7.961  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -0.733   6.397   9.711  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       0.549   7.546   9.314  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -1.578   9.701   7.493  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46       0.071   9.414   8.059  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -8.048   4.988   9.059  1.00  0.82           N
ATOM    641  CA  PRO C  47      -8.735   4.015   9.908  1.00  1.01           C
ATOM    642  C   PRO C  47      -7.786   3.299  10.866  1.00  1.13           C
ATOM    643  O   PRO C  47      -6.620   3.056  10.545  1.00  1.14           O
ATOM    644  CB  PRO C  47      -9.328   3.023   8.906  1.00  1.02           C
ATOM    645  CG  PRO C  47      -8.436   3.110   7.719  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.970   4.539   7.658  1.00  0.70           C
ATOM      0  HA  PRO C  47      -9.477   4.492  10.549  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -9.348   2.012   9.313  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47     -10.355   3.284   8.650  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -7.592   2.427   7.814  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.969   2.834   6.809  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.955   4.613   7.269  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -8.605   5.141   7.008  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -8.292   2.981  12.046  1.00  1.31           N
ATOM    655  CA  GLY C  48      -7.515   2.228  13.008  1.00  1.49           C
ATOM    656  C   GLY C  48      -7.828   0.749  12.938  1.00  1.61           C
ATOM    657  O   GLY C  48      -7.138  -0.073  13.537  1.00  1.90           O
ATOM      0  H   GLY C  48      -9.231   3.232  12.357  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -6.453   2.385  12.822  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -7.721   2.597  14.013  1.00  1.49           H   new
ATOM    661  N   THR C  49      -8.869   0.413  12.189  1.00  1.53           N
ATOM    662  CA  THR C  49      -9.305  -0.967  12.045  1.00  1.70           C
ATOM    663  C   THR C  49      -8.679  -1.635  10.820  1.00  1.25           C
ATOM    664  O   THR C  49      -9.367  -2.279  10.022  1.00  1.89           O
ATOM    665  CB  THR C  49     -10.839  -1.037  11.954  1.00  2.25           C
ATOM    666  OG1 THR C  49     -11.334   0.084  11.204  1.00  2.72           O
ATOM    667  CG2 THR C  49     -11.464  -1.045  13.341  1.00  2.75           C
ATOM      0  H   THR C  49      -9.431   1.085  11.667  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -8.970  -1.509  12.929  1.00  1.70           H   new
ATOM      0  HB  THR C  49     -11.112  -1.963  11.448  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -12.311   0.034  11.147  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -12.549  -1.095  13.251  1.00  2.75           H   new
ATOM      0 HG22 THR C  49     -11.106  -1.912  13.896  1.00  2.75           H   new
ATOM      0 HG23 THR C  49     -11.185  -0.134  13.871  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -7.368  -1.477  10.679  1.00  0.82           N
ATOM    676  CA  GLY C  50      -6.655  -2.111   9.589  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.398  -1.173   8.427  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.330  -0.595   7.866  1.00  0.60           O
ATOM      0  H   GLY C  50      -6.785  -0.919  11.303  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -5.703  -2.493   9.958  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -7.228  -2.969   9.237  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -5.133  -1.023   8.068  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.745  -0.193   6.938  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.860  -0.974   5.632  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.328  -2.080   5.504  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.315   0.323   7.131  1.00  0.50           C
ATOM    687  CG  LEU C  51      -3.184   1.836   7.344  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -3.477   2.582   6.056  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -4.119   2.313   8.445  1.00  0.86           C
ATOM      0  H   LEU C  51      -4.351  -1.469   8.547  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.421   0.660   6.884  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -2.876  -0.187   7.989  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.725   0.044   6.258  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -2.158   2.044   7.647  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -3.379   3.654   6.226  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.770   2.271   5.287  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -4.492   2.358   5.729  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -4.007   3.389   8.577  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -5.149   2.086   8.171  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.872   1.806   9.378  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.563  -0.399   4.669  1.00  0.32           N
ATOM    702  CA  ARG C  52      -5.772  -1.048   3.385  1.00  0.33           C
ATOM    703  C   ARG C  52      -4.974  -0.358   2.291  1.00  0.32           C
ATOM    704  O   ARG C  52      -4.981   0.866   2.184  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.252  -1.026   2.997  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.164  -1.774   3.948  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.576  -1.849   3.394  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.499  -2.511   4.310  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.394  -3.430   3.940  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -11.452  -3.856   2.682  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -12.228  -3.934   4.839  1.00  2.65           N
ATOM      0  H   ARG C  52      -6.000   0.519   4.753  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.435  -2.080   3.487  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -7.583   0.011   2.937  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.359  -1.453   2.000  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.779  -2.780   4.112  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -8.175  -1.275   4.917  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.936  -0.841   3.186  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.563  -2.385   2.445  1.00  0.79           H   new
ATOM      0  HE  ARG C  52     -10.458  -2.255   5.297  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -10.808  -3.480   1.986  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -12.141  -4.559   2.413  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -12.184  -3.619   5.808  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -12.914  -4.636   4.561  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.289  -1.154   1.483  1.00  0.33           N
ATOM    726  CA  CYS C  53      -3.617  -0.640   0.300  1.00  0.41           C
ATOM    727  C   CYS C  53      -4.660  -0.303  -0.763  1.00  0.45           C
ATOM    728  O   CYS C  53      -5.850  -0.544  -0.547  1.00  0.47           O
ATOM    729  CB  CYS C  53      -2.637  -1.675  -0.246  1.00  0.47           C
ATOM    730  SG  CYS C  53      -3.440  -3.076  -1.053  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.184  -2.159   1.626  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -3.060   0.258   0.566  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -1.969  -1.190  -0.958  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.018  -2.044   0.572  1.00  0.47           H   new
ATOM      0  HG  CYS C  53      -2.904  -4.184  -0.633  1.00  0.49           H   new
ATOM    735  N   ARG C  54      -4.225   0.211  -1.907  1.00  0.58           N
ATOM    736  CA  ARG C  54      -5.152   0.652  -2.951  1.00  0.68           C
ATOM    737  C   ARG C  54      -6.100  -0.474  -3.376  1.00  0.64           C
ATOM    738  O   ARG C  54      -7.304  -0.262  -3.515  1.00  0.68           O
ATOM    739  CB  ARG C  54      -4.378   1.180  -4.164  1.00  0.87           C
ATOM    740  CG  ARG C  54      -5.269   1.756  -5.254  1.00  1.28           C
ATOM    741  CD  ARG C  54      -4.453   2.333  -6.398  1.00  1.82           C
ATOM    742  NE  ARG C  54      -5.300   2.876  -7.459  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -4.842   3.315  -8.631  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -3.537   3.309  -8.883  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -5.688   3.770  -9.546  1.00  4.09           N
ATOM      0  H   ARG C  54      -3.239   0.334  -2.138  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -5.757   1.458  -2.536  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -3.681   1.950  -3.832  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -3.782   0.370  -4.584  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -5.929   0.977  -5.634  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -5.905   2.534  -4.831  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -3.801   3.119  -6.017  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -3.809   1.557  -6.811  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -6.305   2.922  -7.292  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -2.883   2.968  -8.178  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -3.189   3.646  -9.781  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -6.689   3.784  -9.353  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -5.337   4.106 -10.443  1.00  4.09           H   new
ATOM    759  N   SER C  55      -5.558  -1.674  -3.548  1.00  0.62           N
ATOM    760  CA  SER C  55      -6.353  -2.809  -3.998  1.00  0.65           C
ATOM    761  C   SER C  55      -7.367  -3.245  -2.935  1.00  0.60           C
ATOM    762  O   SER C  55      -8.556  -3.375  -3.223  1.00  0.68           O
ATOM    763  CB  SER C  55      -5.437  -3.974  -4.369  1.00  0.72           C
ATOM    764  OG  SER C  55      -4.521  -3.592  -5.384  1.00  1.54           O
ATOM      0  H   SER C  55      -4.574  -1.885  -3.383  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -6.914  -2.498  -4.879  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -4.891  -4.308  -3.487  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -6.035  -4.818  -4.712  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -3.943  -4.352  -5.606  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -6.903  -3.437  -1.703  1.00  0.52           N
ATOM    771  CA  CYS C  56      -7.773  -3.913  -0.627  1.00  0.54           C
ATOM    772  C   CYS C  56      -8.818  -2.864  -0.233  1.00  0.61           C
ATOM    773  O   CYS C  56      -9.804  -3.179   0.432  1.00  0.72           O
ATOM    774  CB  CYS C  56      -6.953  -4.320   0.598  1.00  0.50           C
ATOM    775  SG  CYS C  56      -5.784  -5.666   0.299  1.00  0.65           S
ATOM      0  H   CYS C  56      -5.936  -3.272  -1.424  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.301  -4.788  -1.007  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.403  -3.450   0.957  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.635  -4.617   1.394  1.00  0.50           H   new
ATOM      0  HG  CYS C  56      -4.703  -5.465   0.993  1.00  0.65           H   new
ATOM    780  N   SER C  57      -8.597  -1.616  -0.620  1.00  0.62           N
ATOM    781  CA  SER C  57      -9.559  -0.563  -0.337  1.00  0.74           C
ATOM    782  C   SER C  57     -10.436  -0.286  -1.557  1.00  0.89           C
ATOM    783  O   SER C  57     -11.194   0.680  -1.583  1.00  1.13           O
ATOM    784  CB  SER C  57      -8.846   0.714   0.112  1.00  0.78           C
ATOM    785  OG  SER C  57      -7.858   1.106  -0.823  1.00  1.25           O
ATOM      0  H   SER C  57      -7.766  -1.310  -1.127  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.202  -0.902   0.475  1.00  0.74           H   new
ATOM      0  HB2 SER C  57      -9.574   1.516   0.233  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -8.384   0.552   1.086  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -6.995   0.717  -0.569  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -10.328  -1.142  -2.565  1.00  0.86           N
ATOM    792  CA  GLY C  58     -11.142  -0.988  -3.753  1.00  1.06           C
ATOM    793  C   GLY C  58     -12.474  -1.695  -3.621  1.00  1.50           C
ATOM    794  O   GLY C  58     -13.465  -1.297  -4.232  1.00  2.19           O
ATOM      0  H   GLY C  58      -9.692  -1.939  -2.580  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -11.311   0.072  -3.942  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -10.605  -1.384  -4.615  1.00  1.06           H   new