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  152:sc=     1.9
USER  MOD Set 1.2: C  30 CYS SG  :   rot  -53:sc=     0.6
USER  MOD Set 1.3: C  53 CYS SG  :   rot -133:sc=   0.998
USER  MOD Set 1.4: C  56 CYS SG  :   rot  142:sc= -0.0898
USER  MOD Set 2.1: C  28 THR OG1 :   rot   64:sc=   0.127
USER  MOD Set 2.2: C  29 HIS     :FLIP no HD1:sc=   0.135  F(o=-0.31,f=0.26)
USER  MOD Set 3.1: C  15 CYS SG  :   rot -160:sc=    1.02
USER  MOD Set 3.2: C  18 CYS SG  :   rot  -70:sc=   0.929
USER  MOD Set 3.3: C  35 HIS     :     no HD1:sc=  0.0583  K(o=0.3,f=-1.6)
USER  MOD Set 3.4: C  38 CYS SG  :   rot -160:sc=    -1.7!
USER  MOD Single : C  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  39 HIS     :     no HD1:sc=  -0.592  X(o=-0.59,f=-0.93)
USER  MOD Single : C  44 THR OG1 :   rot -160:sc=       0
USER  MOD Single : C  45 SER OG  :   rot  180:sc=  0.0166
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  55 SER OG  :   rot  180:sc= 0.00944
USER  MOD Single : C  57 SER OG  :   rot  -33:sc=   0.671
USER  MOD -----------------------------------------------------------------
ATOM    167  N   ARG C  14       8.820   0.167  -0.485  1.00  1.06           N
ATOM    168  CA  ARG C  14       8.998   1.446  -1.153  1.00  0.77           C
ATOM    169  C   ARG C  14       7.698   1.869  -1.820  1.00  0.65           C
ATOM    170  O   ARG C  14       7.105   1.108  -2.585  1.00  0.73           O
ATOM    171  CB  ARG C  14      10.127   1.370  -2.185  1.00  0.75           C
ATOM    172  CG  ARG C  14      10.491   2.719  -2.787  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.691   2.617  -3.716  1.00  1.12           C
ATOM    174  NE  ARG C  14      12.886   2.141  -3.023  1.00  1.74           N
ATOM    175  CZ  ARG C  14      14.119   2.221  -3.518  1.00  2.20           C
ATOM    176  NH1 ARG C  14      14.333   2.795  -4.696  1.00  2.19           N
ATOM    177  NH2 ARG C  14      15.140   1.732  -2.830  1.00  3.18           N
ATOM      0  HA  ARG C  14       9.272   2.191  -0.406  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14      11.011   0.941  -1.714  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       9.832   0.692  -2.985  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14       9.637   3.114  -3.338  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      10.709   3.427  -1.987  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      11.456   1.941  -4.538  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      11.893   3.594  -4.155  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      12.768   1.721  -2.101  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.550   3.178  -5.227  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      15.280   2.853  -5.070  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      14.981   1.295  -1.922  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      16.085   1.793  -3.208  1.00  3.18           H   new
ATOM    191  N   CYS C  15       7.262   3.078  -1.518  1.00  0.53           N
ATOM    192  CA  CYS C  15       6.024   3.619  -2.051  1.00  0.46           C
ATOM    193  C   CYS C  15       6.265   4.196  -3.444  1.00  0.42           C
ATOM    194  O   CYS C  15       6.826   5.282  -3.591  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.521   4.680  -1.070  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.219   5.786  -1.654  1.00  0.48           S
ATOM      0  H   CYS C  15       7.758   3.715  -0.894  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       5.267   2.842  -2.158  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.158   4.171  -0.177  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.372   5.290  -0.765  1.00  0.46           H   new
ATOM      0  HG  CYS C  15       4.190   6.853  -0.911  1.00  0.48           H   new
ATOM    201  N   GLY C  16       5.815   3.468  -4.463  1.00  0.56           N
ATOM    202  CA  GLY C  16       6.108   3.829  -5.841  1.00  0.65           C
ATOM    203  C   GLY C  16       5.329   5.035  -6.326  1.00  0.54           C
ATOM    204  O   GLY C  16       5.585   5.550  -7.414  1.00  0.61           O
ATOM      0  H   GLY C  16       5.248   2.627  -4.357  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       7.175   4.032  -5.937  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       5.886   2.979  -6.486  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.381   5.490  -5.522  1.00  0.52           N
ATOM    209  CA  VAL C  17       3.580   6.652  -5.874  1.00  0.65           C
ATOM    210  C   VAL C  17       4.418   7.927  -5.786  1.00  0.66           C
ATOM    211  O   VAL C  17       4.182   8.893  -6.511  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.345   6.780  -4.963  1.00  0.78           C
ATOM    213  CG1 VAL C  17       1.466   7.938  -5.404  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.552   5.482  -4.950  1.00  0.94           C
ATOM      0  H   VAL C  17       4.147   5.072  -4.621  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.238   6.516  -6.900  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       2.691   6.982  -3.949  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       0.600   8.009  -4.746  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       2.035   8.866  -5.355  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       1.131   7.771  -6.428  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.683   5.593  -4.301  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.221   5.248  -5.962  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.182   4.674  -4.578  1.00  0.94           H   new
ATOM    224  N   CYS C  18       5.403   7.922  -4.900  1.00  0.55           N
ATOM    225  CA  CYS C  18       6.290   9.066  -4.755  1.00  0.70           C
ATOM    226  C   CYS C  18       7.738   8.659  -5.025  1.00  0.68           C
ATOM    227  O   CYS C  18       8.523   9.436  -5.569  1.00  0.84           O
ATOM    228  CB  CYS C  18       6.152   9.678  -3.356  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.646   8.575  -2.014  1.00  0.82           S
ATOM      0  H   CYS C  18       5.607   7.143  -4.274  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       6.004   9.820  -5.489  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       6.755  10.585  -3.307  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       5.115   9.977  -3.203  1.00  0.82           H   new
ATOM      0  HG  CYS C  18       5.783   7.609  -1.906  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.081   7.429  -4.652  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.428   6.932  -4.856  1.00  0.67           C
ATOM    236  C   GLY C  19      10.148   6.704  -3.545  1.00  0.68           C
ATOM    237  O   GLY C  19      11.195   6.058  -3.497  1.00  0.77           O
ATOM      0  H   GLY C  19       7.445   6.765  -4.210  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.390   5.998  -5.417  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19       9.990   7.644  -5.460  1.00  0.67           H   new
ATOM    241  N   ASP C  20       9.571   7.229  -2.475  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.155   7.117  -1.145  1.00  0.70           C
ATOM    243  C   ASP C  20       9.547   5.941  -0.383  1.00  0.52           C
ATOM    244  O   ASP C  20       8.410   5.547  -0.644  1.00  0.44           O
ATOM    245  CB  ASP C  20       9.935   8.423  -0.378  1.00  0.80           C
ATOM    246  CG  ASP C  20      10.317   8.312   1.080  1.00  1.30           C
ATOM    247  OD1 ASP C  20      11.523   8.386   1.393  1.00  1.40           O
ATOM    248  OD2 ASP C  20       9.413   8.144   1.919  1.00  2.10           O
ATOM      0  H   ASP C  20       8.690   7.742  -2.502  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.225   6.935  -1.244  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      10.520   9.216  -0.844  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20       8.887   8.713  -0.454  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.305   5.375   0.546  1.00  0.55           N
ATOM    254  CA  GLY C  21       9.819   4.242   1.309  1.00  0.51           C
ATOM    255  C   GLY C  21      10.035   4.393   2.802  1.00  0.45           C
ATOM    256  O   GLY C  21       9.924   3.415   3.545  1.00  0.51           O
ATOM      0  H   GLY C  21      11.248   5.680   0.785  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       8.755   4.110   1.114  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      10.321   3.338   0.965  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.352   5.603   3.250  1.00  0.44           N
ATOM    261  CA  THR C  22      10.549   5.846   4.672  1.00  0.46           C
ATOM    262  C   THR C  22       9.198   6.044   5.358  1.00  0.39           C
ATOM    263  O   THR C  22       8.314   6.720   4.818  1.00  0.41           O
ATOM    264  CB  THR C  22      11.487   7.053   4.950  1.00  0.60           C
ATOM    265  OG1 THR C  22      11.877   7.056   6.330  1.00  1.06           O
ATOM    266  CG2 THR C  22      10.824   8.382   4.622  1.00  0.90           C
ATOM      0  H   THR C  22      10.477   6.422   2.655  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.043   4.967   5.086  1.00  0.46           H   new
ATOM      0  HB  THR C  22      12.359   6.941   4.305  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.470   7.818   6.501  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      11.517   9.196   4.832  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      10.550   8.402   3.567  1.00  0.90           H   new
ATOM      0 HG23 THR C  22       9.928   8.502   5.231  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.034   5.421   6.526  1.00  0.41           N
ATOM    275  CA  ASP C  23       7.766   5.455   7.260  1.00  0.45           C
ATOM    276  C   ASP C  23       6.640   4.972   6.353  1.00  0.38           C
ATOM    277  O   ASP C  23       5.595   5.610   6.216  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.479   6.867   7.789  1.00  0.59           C
ATOM    279  CG  ASP C  23       6.260   6.925   8.691  1.00  1.39           C
ATOM    280  OD1 ASP C  23       6.175   6.117   9.643  1.00  1.75           O
ATOM    281  OD2 ASP C  23       5.377   7.774   8.449  1.00  2.23           O
ATOM      0  H   ASP C  23       9.768   4.883   6.987  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       7.835   4.790   8.121  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       8.349   7.227   8.339  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       7.333   7.542   6.946  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.869   3.833   5.729  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.942   3.310   4.750  1.00  0.31           C
ATOM    288  C   VAL C  24       4.897   2.431   5.436  1.00  0.32           C
ATOM    289  O   VAL C  24       5.215   1.654   6.339  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.700   2.536   3.643  1.00  0.36           C
ATOM    291  CG1 VAL C  24       7.136   1.152   4.106  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.877   2.463   2.376  1.00  1.16           C
ATOM      0  H   VAL C  24       7.693   3.252   5.885  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.422   4.140   4.271  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.611   3.093   3.422  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.663   0.647   3.297  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.798   1.248   4.966  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       6.259   0.569   4.387  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       6.431   1.915   1.614  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       4.937   1.950   2.581  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.669   3.472   2.019  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.646   2.590   5.036  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.546   1.882   5.670  1.00  0.30           C
ATOM    304  C   LEU C  25       2.385   0.494   5.071  1.00  0.30           C
ATOM    305  O   LEU C  25       2.700   0.272   3.899  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.246   2.680   5.527  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.245   4.050   6.208  1.00  0.37           C
ATOM    308  CD1 LEU C  25      -0.055   4.776   5.923  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.454   3.909   7.709  1.00  0.48           C
ATOM      0  H   LEU C  25       3.366   3.206   4.272  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.773   1.773   6.730  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       1.039   2.819   4.466  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.428   2.088   5.937  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       2.071   4.635   5.803  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25      -0.043   5.749   6.413  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.167   4.913   4.847  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.891   4.189   6.303  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.450   4.896   8.171  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.651   3.306   8.133  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.411   3.424   7.899  1.00  0.48           H   new
ATOM    321  N   ARG C  26       1.911  -0.438   5.886  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.739  -1.818   5.461  1.00  0.33           C
ATOM    323  C   ARG C  26       0.269  -2.210   5.508  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.409  -1.984   6.511  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.549  -2.759   6.360  1.00  0.42           C
ATOM    326  CG  ARG C  26       4.050  -2.522   6.310  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.621  -2.803   4.928  1.00  0.95           C
ATOM    328  NE  ARG C  26       4.415  -4.193   4.517  1.00  1.64           N
ATOM    329  CZ  ARG C  26       4.937  -4.730   3.415  1.00  2.21           C
ATOM    330  NH1 ARG C  26       5.717  -4.006   2.624  1.00  2.24           N
ATOM    331  NH2 ARG C  26       4.690  -5.998   3.113  1.00  3.18           N
ATOM      0  H   ARG C  26       1.637  -0.260   6.852  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.099  -1.905   4.436  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.208  -2.645   7.389  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.344  -3.789   6.068  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.265  -1.490   6.589  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.543  -3.160   7.044  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.154  -2.138   4.202  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       5.688  -2.579   4.925  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       3.836  -4.787   5.111  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       5.919  -3.034   2.858  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       6.115  -4.421   1.781  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       4.100  -6.562   3.725  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       5.090  -6.409   2.269  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.218  -2.781   4.413  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.592  -3.257   4.346  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.789  -4.408   5.332  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.903  -5.239   5.503  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.919  -3.715   2.916  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.689  -3.894   2.584  1.00  0.37           S
ATOM      0  H   CYS C  27       0.320  -2.925   3.559  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.267  -2.445   4.614  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.499  -2.998   2.211  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.427  -4.670   2.730  1.00  0.29           H   new
ATOM      0  HG  CYS C  27      -3.916  -3.689   1.321  1.00  0.37           H   new
ATOM    355  N   THR C  28      -2.936  -4.437   5.997  1.00  0.25           N
ATOM    356  CA  THR C  28      -3.230  -5.497   6.954  1.00  0.31           C
ATOM    357  C   THR C  28      -3.905  -6.683   6.276  1.00  0.33           C
ATOM    358  O   THR C  28      -3.906  -7.796   6.800  1.00  0.44           O
ATOM    359  CB  THR C  28      -4.133  -4.990   8.093  1.00  0.39           C
ATOM    360  OG1 THR C  28      -5.321  -4.398   7.551  1.00  0.75           O
ATOM    361  CG2 THR C  28      -3.403  -3.973   8.955  1.00  0.72           C
ATOM      0  H   THR C  28      -3.676  -3.742   5.893  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -2.275  -5.818   7.371  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -4.403  -5.842   8.717  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -5.839  -5.081   7.075  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -4.063  -3.631   9.752  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -2.517  -4.435   9.391  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -3.105  -3.123   8.341  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.483  -6.437   5.105  1.00  0.31           N
ATOM    370  CA  HIS C  29      -5.198  -7.481   4.376  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.290  -8.163   3.363  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.548  -9.288   2.941  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.431  -6.905   3.672  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.550  -6.551   4.605  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -7.596  -5.687   5.644  1.00  0.91           N   flip
ATOM    376  CD2 HIS C  29      -8.805  -7.110   4.521  1.00  1.16           C   flip
ATOM    377  CE1 HIS C  29      -8.863  -5.738   6.167  1.00  1.23           C   flip
ATOM    378  NE2 HIS C  29      -9.573  -6.604   5.468  1.00  1.43           N   flip
ATOM      0  H   HIS C  29      -4.471  -5.529   4.641  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.524  -8.226   5.102  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -6.138  -6.014   3.117  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.794  -7.630   2.943  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -9.113  -7.847   3.794  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29      -9.220  -5.165   7.010  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29     -10.551  -6.842   5.632  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -3.233  -7.473   2.966  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.270  -8.032   2.034  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.905  -7.403   2.291  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.719  -6.715   3.289  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.716  -7.788   0.586  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.314  -6.148  -0.052  1.00  0.79           S
ATOM      0  H   CYS C  30      -3.021  -6.524   3.275  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.204  -9.110   2.184  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.252  -8.538  -0.055  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.794  -7.936   0.521  1.00  0.42           H   new
ATOM      0  HG  CYS C  30      -2.761  -5.242   0.767  1.00  0.79           H   new
ATOM    397  N   ALA C  31       0.033  -7.618   1.389  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.360  -7.051   1.523  1.00  0.37           C
ATOM    399  C   ALA C  31       1.520  -5.867   0.582  1.00  0.36           C
ATOM    400  O   ALA C  31       1.499  -6.024  -0.639  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.423  -8.101   1.239  1.00  0.47           C
ATOM      0  H   ALA C  31      -0.101  -8.184   0.551  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.487  -6.705   2.549  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.412  -7.655   1.345  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.319  -8.925   1.945  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.301  -8.477   0.223  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.684  -4.687   1.151  1.00  0.32           N
ATOM    408  CA  ALA C  32       1.818  -3.476   0.363  1.00  0.35           C
ATOM    409  C   ALA C  32       2.541  -2.406   1.155  1.00  0.33           C
ATOM    410  O   ALA C  32       2.216  -2.161   2.315  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.451  -2.966  -0.078  1.00  0.37           C
ATOM      0  H   ALA C  32       1.728  -4.541   2.160  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.404  -3.712  -0.525  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.574  -2.057  -0.667  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32      -0.043  -3.726  -0.683  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32      -0.157  -2.749   0.800  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.537  -1.804   0.531  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.251  -0.685   1.118  1.00  0.38           C
ATOM    419  C   ALA C  33       3.911   0.588   0.365  1.00  0.37           C
ATOM    420  O   ALA C  33       4.285   0.751  -0.799  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.748  -0.939   1.084  1.00  0.45           C
ATOM      0  H   ALA C  33       3.873  -2.076  -0.393  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.947  -0.573   2.159  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.271  -0.092   1.527  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.977  -1.843   1.649  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.072  -1.065   0.051  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.203   1.483   1.029  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.778   2.726   0.415  1.00  0.36           C
ATOM    429  C   PHE C  34       2.538   3.781   1.485  1.00  0.32           C
ATOM    430  O   PHE C  34       2.484   3.466   2.670  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.491   2.502  -0.389  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.296   2.163   0.462  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.127   0.881   0.964  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.658   3.124   0.760  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.967   0.564   1.742  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.756   2.810   1.536  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.909   1.549   2.036  1.00  0.61           C
ATOM      0  H   PHE C  34       2.909   1.370   1.999  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.563   3.072  -0.257  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.272   3.401  -0.965  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.656   1.697  -1.105  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.862   0.121   0.743  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.541   4.129   0.381  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -1.093  -0.440   2.121  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.498   3.566   1.748  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.759   1.314   2.659  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.416   5.026   1.066  1.00  0.32           N
ATOM    448  CA  HIS C  35       2.008   6.088   1.973  1.00  0.32           C
ATOM    449  C   HIS C  35       0.545   6.407   1.725  1.00  0.33           C
ATOM    450  O   HIS C  35       0.116   6.546   0.576  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.849   7.353   1.773  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.321   7.157   1.961  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.216   7.701   1.084  1.00  0.42           N
ATOM    454  CD2 HIS C  35       5.003   6.482   2.922  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.415   7.350   1.506  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.341   6.607   2.625  1.00  0.42           N
ATOM      0  H   HIS C  35       2.592   5.329   0.108  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.158   5.746   2.997  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.672   7.736   0.768  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.505   8.117   2.471  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.577   5.949   3.759  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.338   7.624   1.016  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.122   6.214   3.150  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.213   6.507   2.809  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.640   6.798   2.744  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.895   8.115   2.017  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.805   8.207   1.201  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.223   6.853   4.159  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.715   6.981   4.196  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.436   8.124   4.386  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.667   5.924   4.045  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.779   7.843   4.363  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.947   6.498   4.154  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.562   4.548   3.829  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -7.112   5.741   4.051  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.718   3.799   3.727  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.979   4.397   3.838  1.00  0.68           C
ATOM      0  H   TRP C  36       0.143   6.389   3.757  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -2.131   6.002   2.184  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.932   5.951   4.697  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.782   7.697   4.690  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -4.012   9.106   4.533  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.530   8.523   4.482  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.594   4.078   3.743  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -8.086   6.200   4.136  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.648   2.734   3.559  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.864   3.784   3.754  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.067   9.117   2.299  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.208  10.437   1.684  1.00  0.44           C
ATOM    490  C   ARG C  37      -0.914  10.387   0.188  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.445  11.182  -0.588  1.00  0.51           O
ATOM    492  CB  ARG C  37      -0.272  11.444   2.352  1.00  0.61           C
ATOM    493  CG  ARG C  37      -0.607  11.726   3.806  1.00  0.70           C
ATOM    494  CD  ARG C  37       0.350  12.743   4.401  1.00  1.05           C
ATOM    495  NE  ARG C  37       0.041  13.034   5.800  1.00  1.72           N
ATOM    496  CZ  ARG C  37       0.607  14.018   6.497  1.00  2.32           C
ATOM    497  NH1 ARG C  37       1.516  14.803   5.929  1.00  2.37           N
ATOM    498  NH2 ARG C  37       0.269  14.213   7.766  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.287   9.041   2.952  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.241  10.754   1.825  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.750  11.071   2.291  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -0.304  12.380   1.794  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -1.629  12.097   3.881  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.561  10.800   4.379  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       1.371  12.368   4.326  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37       0.306  13.665   3.821  1.00  1.05           H   new
ATOM      0  HE  ARG C  37      -0.649  12.449   6.270  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       1.783  14.653   4.956  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       1.947  15.555   6.466  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37      -0.424  13.609   8.208  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       0.703  14.967   8.299  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.058   9.457  -0.212  1.00  0.37           N
ATOM    513  CA  CYS C  38       0.277   9.282  -1.617  1.00  0.36           C
ATOM    514  C   CYS C  38      -0.871   8.603  -2.359  1.00  0.36           C
ATOM    515  O   CYS C  38      -0.989   8.708  -3.578  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.573   8.478  -1.764  1.00  0.34           C
ATOM    517  SG  CYS C  38       3.038   9.337  -1.140  1.00  0.54           S
ATOM      0  H   CYS C  38       0.417   8.811   0.418  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.435  10.265  -2.061  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.465   7.532  -1.234  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.724   8.239  -2.817  1.00  0.34           H   new
ATOM      0  HG  CYS C  38       4.105   8.817  -1.671  1.00  0.54           H   new
ATOM    522  N   HIS C  39      -1.713   7.904  -1.615  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.849   7.205  -2.201  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.118   8.037  -2.096  1.00  0.46           C
ATOM    525  O   HIS C  39      -4.768   8.331  -3.099  1.00  0.61           O
ATOM    526  CB  HIS C  39      -3.061   5.856  -1.514  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.230   4.753  -2.082  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.737   3.506  -2.366  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.918   4.705  -2.402  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.771   2.737  -2.832  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.655   3.440  -2.867  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.632   7.805  -0.603  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.628   7.040  -3.255  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.834   5.960  -0.453  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -4.113   5.582  -1.590  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.207   5.513  -2.309  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -1.876   1.705  -3.134  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.252   3.100  -3.186  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.456   8.423  -0.880  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.700   9.120  -0.613  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.417  10.541  -0.144  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.394  10.801   0.487  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.501   8.360   0.451  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.827   6.944   0.062  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -7.927   6.664  -0.733  1.00  0.71           C
ATOM    547  CD2 PHE C  40      -6.030   5.892   0.487  1.00  0.55           C
ATOM    548  CE1 PHE C  40      -8.226   5.364  -1.093  1.00  0.80           C
ATOM    549  CE2 PHE C  40      -6.324   4.590   0.129  1.00  0.66           C
ATOM    550  CZ  PHE C  40      -7.423   4.326  -0.662  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.880   8.263  -0.054  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.285   9.168  -1.531  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.935   8.351   1.382  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.429   8.897   0.647  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -8.558   7.471  -1.075  1.00  0.71           H   new
ATOM      0  HD2 PHE C  40      -5.168   6.093   1.106  1.00  0.55           H   new
ATOM      0  HE1 PHE C  40      -9.088   5.159  -1.711  1.00  0.80           H   new
ATOM      0  HE2 PHE C  40      -5.694   3.781   0.468  1.00  0.66           H   new
ATOM      0  HZ  PHE C  40      -7.655   3.310  -0.944  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.315  11.482  -0.474  1.00  0.89           N
ATOM    561  CA  PRO C  41      -6.191  12.876  -0.047  1.00  1.04           C
ATOM    562  C   PRO C  41      -6.325  13.024   1.467  1.00  1.30           C
ATOM    563  O   PRO C  41      -6.819  12.131   2.157  1.00  1.93           O
ATOM    564  CB  PRO C  41      -7.350  13.576  -0.764  1.00  1.81           C
ATOM    565  CG  PRO C  41      -8.329  12.496  -1.056  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.514  11.261  -1.297  1.00  1.43           C
ATOM      0  HA  PRO C  41      -5.215  13.295  -0.290  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -7.792  14.351  -0.137  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -7.012  14.061  -1.680  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -9.016  12.355  -0.222  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -8.934  12.742  -1.929  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -8.049  10.361  -0.995  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -7.263  11.144  -2.351  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -5.900  14.179   1.963  1.00  1.64           N
ATOM    575  CA  ALA C  42      -5.789  14.431   3.399  1.00  2.34           C
ATOM    576  C   ALA C  42      -7.142  14.407   4.101  1.00  1.92           C
ATOM    577  O   ALA C  42      -7.206  14.339   5.328  1.00  2.41           O
ATOM    578  CB  ALA C  42      -5.095  15.760   3.648  1.00  3.30           C
ATOM      0  H   ALA C  42      -5.622  14.970   1.382  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -5.192  13.622   3.821  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -5.019  15.935   4.721  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -4.096  15.736   3.212  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -5.672  16.563   3.189  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -8.218  14.474   3.327  1.00  1.37           N
ATOM    585  CA  GLY C  43      -9.547  14.388   3.896  1.00  1.46           C
ATOM    586  C   GLY C  43      -9.913  12.963   4.258  1.00  1.21           C
ATOM    587  O   GLY C  43     -10.858  12.726   5.012  1.00  1.41           O
ATOM      0  H   GLY C  43      -8.193  14.587   2.314  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -9.603  15.015   4.786  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43     -10.273  14.780   3.184  1.00  1.46           H   new
ATOM    591  N   THR C  44      -9.164  12.015   3.712  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.349  10.611   4.026  1.00  0.76           C
ATOM    593  C   THR C  44      -8.494  10.241   5.235  1.00  0.65           C
ATOM    594  O   THR C  44      -7.290  10.494   5.248  1.00  0.73           O
ATOM    595  CB  THR C  44      -8.958   9.728   2.827  1.00  0.83           C
ATOM    596  OG1 THR C  44      -9.556  10.247   1.633  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.410   8.293   3.036  1.00  0.99           C
ATOM      0  H   THR C  44      -8.416  12.199   3.043  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.401  10.441   4.253  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -7.872   9.738   2.734  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -9.583   9.546   0.949  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.121   7.691   2.174  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -8.940   7.891   3.933  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.494   8.266   3.150  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.105   9.635   6.238  1.00  0.67           N
ATOM    606  CA  SER C  45      -8.418   9.368   7.489  1.00  0.69           C
ATOM    607  C   SER C  45      -7.695   8.027   7.447  1.00  0.61           C
ATOM    608  O   SER C  45      -8.216   7.038   6.927  1.00  0.66           O
ATOM    609  CB  SER C  45      -9.417   9.410   8.646  1.00  0.91           C
ATOM    610  OG  SER C  45     -10.603   8.700   8.326  1.00  1.60           O
ATOM      0  H   SER C  45     -10.074   9.319   6.211  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -7.664  10.141   7.642  1.00  0.69           H   new
ATOM      0  HB2 SER C  45      -8.962   8.980   9.538  1.00  0.91           H   new
ATOM      0  HB3 SER C  45      -9.662  10.446   8.881  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -11.223   8.741   9.083  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -6.480   8.017   7.983  1.00  0.66           N
ATOM    617  CA  ARG C  46      -5.649   6.822   7.999  1.00  0.70           C
ATOM    618  C   ARG C  46      -6.129   5.858   9.079  1.00  0.82           C
ATOM    619  O   ARG C  46      -6.156   6.212  10.260  1.00  0.97           O
ATOM    620  CB  ARG C  46      -4.190   7.205   8.262  1.00  0.86           C
ATOM    621  CG  ARG C  46      -3.217   6.039   8.167  1.00  1.10           C
ATOM    622  CD  ARG C  46      -1.857   6.397   8.749  1.00  1.09           C
ATOM    623  NE  ARG C  46      -1.916   6.565  10.201  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -1.019   7.237  10.919  1.00  1.76           C
ATOM    625  NH1 ARG C  46       0.008   7.830  10.326  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -1.151   7.317  12.237  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.046   8.832   8.416  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -5.724   6.332   7.028  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -3.892   7.972   7.548  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.115   7.648   9.255  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -3.626   5.179   8.697  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -3.101   5.745   7.124  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -1.139   5.615   8.502  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -1.496   7.318   8.291  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -2.698   6.138  10.697  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46       0.115   7.773   9.313  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       0.691   8.343  10.883  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -1.939   6.864  12.699  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46      -0.464   7.832  12.788  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -6.517   4.633   8.701  1.00  0.82           N
ATOM    641  CA  PRO C  47      -6.956   3.624   9.661  1.00  1.01           C
ATOM    642  C   PRO C  47      -5.802   3.141  10.529  1.00  1.13           C
ATOM    643  O   PRO C  47      -4.729   2.810  10.023  1.00  1.14           O
ATOM    644  CB  PRO C  47      -7.474   2.471   8.791  1.00  1.02           C
ATOM    645  CG  PRO C  47      -7.552   3.010   7.402  1.00  0.83           C
ATOM    646  CD  PRO C  47      -6.560   4.132   7.323  1.00  0.70           C
ATOM      0  HA  PRO C  47      -7.709   4.018  10.344  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -6.804   1.613   8.840  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -8.451   2.132   9.134  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -7.320   2.235   6.672  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.558   3.366   7.180  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -5.582   3.784   6.990  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -6.879   4.904   6.623  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -6.027   3.107  11.831  1.00  1.31           N
ATOM    655  CA  GLY C  48      -5.006   2.648  12.749  1.00  1.49           C
ATOM    656  C   GLY C  48      -5.061   1.149  12.939  1.00  1.61           C
ATOM    657  O   GLY C  48      -4.030   0.480  12.983  1.00  1.90           O
ATOM      0  H   GLY C  48      -6.902   3.390  12.272  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -4.023   2.932  12.372  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -5.133   3.142  13.712  1.00  1.49           H   new
ATOM    661  N   THR C  49      -6.269   0.624  13.038  1.00  1.53           N
ATOM    662  CA  THR C  49      -6.478  -0.803  13.198  1.00  1.70           C
ATOM    663  C   THR C  49      -7.209  -1.381  11.987  1.00  1.25           C
ATOM    664  O   THR C  49      -8.382  -1.758  12.063  1.00  1.89           O
ATOM    665  CB  THR C  49      -7.265  -1.101  14.488  1.00  2.25           C
ATOM    666  OG1 THR C  49      -8.263  -0.091  14.693  1.00  2.72           O
ATOM    667  CG2 THR C  49      -6.336  -1.154  15.693  1.00  2.75           C
ATOM      0  H   THR C  49      -7.129   1.172  13.010  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -5.500  -1.279  13.273  1.00  1.70           H   new
ATOM      0  HB  THR C  49      -7.745  -2.074  14.379  1.00  2.25           H   new
ATOM      0  HG1 THR C  49      -8.762  -0.286  15.514  1.00  2.72           H   new
ATOM      0 HG21 THR C  49      -6.916  -1.366  16.591  1.00  2.75           H   new
ATOM      0 HG22 THR C  49      -5.595  -1.939  15.547  1.00  2.75           H   new
ATOM      0 HG23 THR C  49      -5.831  -0.195  15.805  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -6.507  -1.438  10.868  1.00  0.82           N
ATOM    676  CA  GLY C  50      -7.090  -1.940   9.642  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.636  -1.143   8.439  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.456  -0.674   7.647  1.00  0.60           O
ATOM      0  H   GLY C  50      -5.534  -1.143  10.786  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -6.815  -2.986   9.510  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -8.177  -1.903   9.714  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -5.326  -0.976   8.320  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.739  -0.223   7.222  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.938  -0.985   5.911  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.521  -2.138   5.775  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.245   0.015   7.510  1.00  0.50           C
ATOM    687  CG  LEU C  51      -2.550   1.129   6.708  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.326   0.712   5.266  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -3.358   2.415   6.767  1.00  0.86           C
ATOM      0  H   LEU C  51      -4.645  -1.356   8.977  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.230   0.746   7.127  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -3.136   0.242   8.571  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.712  -0.918   7.327  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -1.576   1.307   7.163  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -1.833   1.520   4.726  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -1.698  -0.179   5.238  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.286   0.494   4.797  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -2.850   3.191   6.194  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -4.348   2.242   6.345  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.456   2.736   7.804  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.576  -0.337   4.948  1.00  0.32           N
ATOM    702  CA  ARG C  52      -5.875  -0.970   3.675  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.185  -0.245   2.534  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.154   0.982   2.490  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.383  -0.989   3.418  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.168  -1.842   4.398  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.631  -1.927   3.998  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.419  -2.695   4.957  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.443  -3.484   4.624  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -11.778  -3.650   3.349  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -12.129  -4.109   5.573  1.00  2.65           N
ATOM      0  H   ARG C  52      -5.897   0.628   5.025  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.505  -1.994   3.724  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -7.761   0.033   3.459  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.564  -1.356   2.408  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.740  -2.844   4.438  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -8.085  -1.420   5.400  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52     -10.042  -0.921   3.914  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.711  -2.387   3.013  1.00  0.79           H   new
ATOM      0  HE  ARG C  52     -10.172  -2.624   5.944  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.252  -3.173   2.617  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -12.562  -4.254   3.102  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -11.873  -3.986   6.553  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -12.912  -4.713   5.323  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.621  -1.016   1.620  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.057  -0.465   0.402  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.188  -0.129  -0.567  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.353  -0.372  -0.252  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.097  -1.466  -0.237  1.00  0.47           C
ATOM    730  SG  CYS C  53      -3.925  -2.868  -1.011  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.542  -2.030   1.700  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -3.500   0.441   0.640  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -2.495  -0.952  -0.986  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.411  -1.836   0.525  1.00  0.47           H   new
ATOM      0  HG  CYS C  53      -3.336  -3.971  -0.654  1.00  0.49           H   new
ATOM    735  N   ARG C  54      -4.852   0.383  -1.746  1.00  0.58           N
ATOM    736  CA  ARG C  54      -5.864   0.801  -2.714  1.00  0.68           C
ATOM    737  C   ARG C  54      -6.805  -0.353  -3.053  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.026  -0.191  -3.067  1.00  0.68           O
ATOM    739  CB  ARG C  54      -5.198   1.325  -3.991  1.00  0.87           C
ATOM    740  CG  ARG C  54      -6.183   1.781  -5.056  1.00  1.28           C
ATOM    741  CD  ARG C  54      -5.469   2.345  -6.276  1.00  1.82           C
ATOM    742  NE  ARG C  54      -4.563   1.371  -6.886  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -3.827   1.614  -7.971  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -3.939   2.772  -8.611  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -2.996   0.684  -8.428  1.00  4.09           N
ATOM      0  H   ARG C  54      -3.890   0.519  -2.056  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -6.449   1.603  -2.264  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -4.545   2.159  -3.733  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -4.565   0.541  -4.407  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -6.809   0.941  -5.356  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -6.845   2.539  -4.639  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -6.207   2.663  -7.012  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -4.905   3.232  -5.987  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -4.490   0.450  -6.455  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -4.590   3.481  -8.273  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -3.374   2.953  -9.441  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -2.922  -0.214  -7.949  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -2.432   0.867  -9.258  1.00  4.09           H   new
ATOM    759  N   SER C  55      -6.229  -1.524  -3.290  1.00  0.62           N
ATOM    760  CA  SER C  55      -6.997  -2.690  -3.700  1.00  0.65           C
ATOM    761  C   SER C  55      -7.955  -3.148  -2.599  1.00  0.60           C
ATOM    762  O   SER C  55      -9.161  -3.279  -2.828  1.00  0.68           O
ATOM    763  CB  SER C  55      -6.047  -3.821  -4.074  1.00  0.72           C
ATOM    764  OG  SER C  55      -4.965  -3.335  -4.850  1.00  1.54           O
ATOM      0  H   SER C  55      -5.226  -1.691  -3.204  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -7.598  -2.415  -4.566  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -5.667  -4.296  -3.170  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -6.587  -4.585  -4.633  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -4.367  -4.077  -5.078  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.417  -3.362  -1.401  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.207  -3.871  -0.281  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.182  -2.812   0.242  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.115  -3.130   0.978  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.294  -4.354   0.849  1.00  0.50           C
ATOM    775  SG  CYS C  56      -6.086  -5.610   0.353  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.436  -3.191  -1.180  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.790  -4.716  -0.647  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.760  -3.497   1.260  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.912  -4.759   1.651  1.00  0.50           H   new
ATOM      0  HG  CYS C  56      -4.962  -5.399   0.971  1.00  0.65           H   new
ATOM    780  N   SER C  57      -8.954  -1.553  -0.123  1.00  0.62           N
ATOM    781  CA  SER C  57      -9.850  -0.470   0.269  1.00  0.74           C
ATOM    782  C   SER C  57     -11.036  -0.383  -0.693  1.00  0.89           C
ATOM    783  O   SER C  57     -11.846   0.544  -0.622  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.095   0.865   0.309  1.00  0.78           C
ATOM    785  OG  SER C  57      -9.922   1.915   0.788  1.00  1.25           O
ATOM      0  H   SER C  57      -8.158  -1.258  -0.689  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.229  -0.682   1.269  1.00  0.74           H   new
ATOM      0  HB2 SER C  57      -8.218   0.770   0.950  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -8.735   1.111  -0.690  1.00  0.78           H   new
ATOM      0  HG  SER C  57     -10.846   1.760   0.502  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.126  -1.347  -1.599  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.250  -1.404  -2.506  1.00  1.06           C
ATOM    793  C   GLY C  58     -11.920  -0.892  -3.891  1.00  1.50           C
ATOM    794  O   GLY C  58     -12.656  -0.077  -4.448  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.439  -2.091  -1.720  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -12.599  -2.434  -2.579  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -13.072  -0.818  -2.094  1.00  1.06           H   new