USER  MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=14
USER  MOD reduce.3.24.130724 removed 303 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: C  27 CYS SG  :   rot  151:sc=     1.8
USER  MOD Set 1.2: C  30 CYS SG  :   rot  -50:sc=   0.711
USER  MOD Set 1.3: C  53 CYS SG  :   rot -129:sc=    1.02
USER  MOD Set 1.4: C  56 CYS SG  :   rot  144:sc=-0.00935
USER  MOD Set 2.1: C  15 CYS SG  :   rot -132:sc=  0.0612
USER  MOD Set 2.2: C  18 CYS SG  :   rot  142:sc=   0.895
USER  MOD Set 2.3: C  35 HIS     :     no HD1:sc=  -0.417  X(o=-1.5,f=-1.9)
USER  MOD Set 2.4: C  38 CYS SG  :   rot -154:sc=   -2.05!
USER  MOD Set 3.1: C  28 THR OG1 :   rot  -75:sc=   0.909
USER  MOD Set 3.2: C  29 HIS     :     no HD1:sc= -0.0268  X(o=0.88,f=0.77)
USER  MOD Single : C  22 THR OG1 :   rot   89:sc=   0.256
USER  MOD Single : C  39 HIS     :     no HD1:sc=   -1.62  K(o=-1.6,f=-2.7!)
USER  MOD Single : C  44 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  45 SER OG  :   rot  180:sc=  0.0133
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot   84:sc=    1.02
USER  MOD -----------------------------------------------------------------
ATOM    167  N   ARG C  14       7.412  -0.285  -1.598  1.00  1.06           N
ATOM    168  CA  ARG C  14       7.633   1.159  -1.618  1.00  0.77           C
ATOM    169  C   ARG C  14       6.410   1.884  -2.166  1.00  0.65           C
ATOM    170  O   ARG C  14       5.653   1.326  -2.960  1.00  0.73           O
ATOM    171  CB  ARG C  14       8.856   1.523  -2.468  1.00  0.75           C
ATOM    172  CG  ARG C  14      10.189   1.228  -1.801  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.343   1.789  -2.613  1.00  1.12           C
ATOM    174  NE  ARG C  14      12.638   1.549  -1.979  1.00  1.74           N
ATOM    175  CZ  ARG C  14      13.808   1.784  -2.574  1.00  2.20           C
ATOM    176  NH1 ARG C  14      13.845   2.265  -3.810  1.00  2.19           N
ATOM    177  NH2 ARG C  14      14.943   1.537  -1.934  1.00  3.18           N
ATOM      0  HA  ARG C  14       7.811   1.473  -0.590  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14       8.805   0.977  -3.410  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       8.812   2.584  -2.712  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14      10.201   1.659  -0.800  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      10.311   0.151  -1.686  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      11.338   1.339  -3.606  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      11.201   2.861  -2.749  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      12.647   1.181  -1.028  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      12.976   2.457  -4.309  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      14.742   2.443  -4.261  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      14.923   1.166  -0.984  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      15.836   1.718  -2.392  1.00  3.18           H   new
ATOM    191  N   CYS C  15       6.228   3.128  -1.731  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.146   3.971  -2.221  1.00  0.46           C
ATOM    193  C   CYS C  15       5.358   4.271  -3.698  1.00  0.42           C
ATOM    194  O   CYS C  15       6.305   4.964  -4.057  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.090   5.280  -1.421  1.00  0.46           C
ATOM    196  SG  CYS C  15       3.931   6.512  -2.073  1.00  0.48           S
ATOM      0  H   CYS C  15       6.823   3.576  -1.034  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       4.200   3.444  -2.095  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       4.815   5.050  -0.392  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.088   5.717  -1.394  1.00  0.46           H   new
ATOM      0  HG  CYS C  15       4.523   7.667  -2.148  1.00  0.48           H   new
ATOM    201  N   GLY C  16       4.472   3.760  -4.541  1.00  0.56           N
ATOM    202  CA  GLY C  16       4.628   3.914  -5.978  1.00  0.65           C
ATOM    203  C   GLY C  16       4.563   5.356  -6.442  1.00  0.54           C
ATOM    204  O   GLY C  16       5.013   5.686  -7.541  1.00  0.61           O
ATOM      0  H   GLY C  16       3.643   3.239  -4.256  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       5.584   3.486  -6.280  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       3.849   3.342  -6.483  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.000   6.216  -5.609  1.00  0.52           N
ATOM    209  CA  VAL C  17       3.899   7.633  -5.927  1.00  0.65           C
ATOM    210  C   VAL C  17       5.225   8.344  -5.653  1.00  0.66           C
ATOM    211  O   VAL C  17       5.578   9.310  -6.327  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.779   8.308  -5.107  1.00  0.78           C
ATOM    213  CG1 VAL C  17       2.632   9.777  -5.479  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.460   7.575  -5.298  1.00  0.94           C
ATOM      0  H   VAL C  17       3.605   5.958  -4.705  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.658   7.714  -6.987  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       3.057   8.255  -4.054  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       1.836  10.225  -4.885  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       3.569  10.298  -5.281  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       2.386   9.861  -6.538  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.683   8.066  -4.712  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.184   7.591  -6.352  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       1.566   6.542  -4.967  1.00  0.94           H   new
ATOM    224  N   CYS C  18       5.965   7.842  -4.674  1.00  0.55           N
ATOM    225  CA  CYS C  18       7.191   8.499  -4.239  1.00  0.70           C
ATOM    226  C   CYS C  18       8.447   7.729  -4.650  1.00  0.68           C
ATOM    227  O   CYS C  18       9.523   8.309  -4.777  1.00  0.84           O
ATOM    228  CB  CYS C  18       7.172   8.688  -2.722  1.00  0.82           C
ATOM    229  SG  CYS C  18       5.843   9.764  -2.143  1.00  0.82           S
ATOM      0  H   CYS C  18       5.740   6.986  -4.168  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       7.229   9.469  -4.735  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       7.073   7.713  -2.244  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       8.128   9.103  -2.404  1.00  0.82           H   new
ATOM      0  HG  CYS C  18       5.365   9.301  -1.026  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.304   6.426  -4.855  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.451   5.584  -5.141  1.00  0.67           C
ATOM    236  C   GLY C  19      10.277   5.339  -3.897  1.00  0.68           C
ATOM    237  O   GLY C  19      11.425   4.900  -3.970  1.00  0.77           O
ATOM      0  H   GLY C  19       7.410   5.935  -4.828  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.113   4.631  -5.549  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.070   6.056  -5.904  1.00  0.67           H   new
ATOM    241  N   ASP C  20       9.667   5.606  -2.750  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.360   5.573  -1.472  1.00  0.70           C
ATOM    243  C   ASP C  20       9.517   4.834  -0.436  1.00  0.52           C
ATOM    244  O   ASP C  20       8.295   4.738  -0.580  1.00  0.44           O
ATOM    245  CB  ASP C  20      10.641   7.008  -1.011  1.00  0.80           C
ATOM    246  CG  ASP C  20      11.427   7.069   0.280  1.00  1.30           C
ATOM    247  OD1 ASP C  20      12.665   6.981   0.226  1.00  1.40           O
ATOM    248  OD2 ASP C  20      10.809   7.215   1.354  1.00  2.10           O
ATOM      0  H   ASP C  20       8.679   5.851  -2.681  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.305   5.042  -1.584  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      11.192   7.533  -1.791  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20       9.695   7.534  -0.880  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.164   4.298   0.592  1.00  0.55           N
ATOM    254  CA  GLY C  21       9.448   3.561   1.615  1.00  0.51           C
ATOM    255  C   GLY C  21       9.775   4.034   3.018  1.00  0.45           C
ATOM    256  O   GLY C  21       9.593   3.294   3.987  1.00  0.51           O
ATOM      0  H   GLY C  21      11.172   4.361   0.735  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       8.376   3.659   1.444  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21       9.689   2.501   1.528  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.257   5.262   3.137  1.00  0.44           N
ATOM    261  CA  THR C  22      10.590   5.822   4.437  1.00  0.46           C
ATOM    262  C   THR C  22       9.317   6.217   5.178  1.00  0.39           C
ATOM    263  O   THR C  22       8.490   6.960   4.643  1.00  0.41           O
ATOM    264  CB  THR C  22      11.510   7.047   4.293  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.582   6.739   3.391  1.00  1.06           O
ATOM    266  CG2 THR C  22      12.081   7.465   5.641  1.00  0.90           C
ATOM      0  H   THR C  22      10.426   5.889   2.350  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.120   5.060   5.008  1.00  0.46           H   new
ATOM      0  HB  THR C  22      10.920   7.875   3.899  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.310   6.954   2.474  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      12.727   8.333   5.509  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      11.266   7.719   6.318  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.659   6.643   6.062  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.165   5.703   6.402  1.00  0.41           N
ATOM    275  CA  ASP C  23       7.961   5.930   7.201  1.00  0.45           C
ATOM    276  C   ASP C  23       6.726   5.523   6.417  1.00  0.38           C
ATOM    277  O   ASP C  23       5.730   6.247   6.369  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.854   7.393   7.647  1.00  0.59           C
ATOM    279  CG  ASP C  23       8.838   7.739   8.743  1.00  1.39           C
ATOM    280  OD1 ASP C  23       8.669   7.242   9.876  1.00  1.75           O
ATOM    281  OD2 ASP C  23       9.786   8.509   8.483  1.00  2.23           O
ATOM      0  H   ASP C  23       9.867   5.123   6.862  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       8.031   5.313   8.097  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       8.026   8.044   6.790  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       6.841   7.589   7.998  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.803   4.359   5.795  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.736   3.883   4.941  1.00  0.31           C
ATOM    288  C   VAL C  24       4.751   3.030   5.739  1.00  0.32           C
ATOM    289  O   VAL C  24       5.116   2.413   6.745  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.305   3.075   3.751  1.00  0.36           C
ATOM    291  CG1 VAL C  24       6.702   1.667   4.168  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.326   3.056   2.595  1.00  1.16           C
ATOM      0  H   VAL C  24       7.599   3.725   5.868  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.205   4.749   4.546  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.212   3.576   3.413  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.097   1.130   3.306  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.465   1.719   4.944  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       5.828   1.142   4.553  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       5.748   2.482   1.770  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       4.392   2.596   2.917  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.133   4.077   2.265  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.506   3.015   5.300  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.476   2.234   5.956  1.00  0.30           C
ATOM    304  C   LEU C  25       2.316   0.895   5.254  1.00  0.30           C
ATOM    305  O   LEU C  25       2.548   0.784   4.049  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.158   3.005   5.957  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.221   4.377   6.630  1.00  0.37           C
ATOM    308  CD1 LEU C  25      -0.086   5.119   6.438  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.540   4.237   8.109  1.00  0.48           C
ATOM      0  H   LEU C  25       3.183   3.539   4.486  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.768   2.050   6.990  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       0.828   3.136   4.926  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.401   2.403   6.460  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       2.020   4.952   6.162  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25      -0.026   6.094   6.923  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.275   5.254   5.373  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.899   4.544   6.880  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.580   5.225   8.568  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.765   3.643   8.594  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.504   3.742   8.228  1.00  0.48           H   new
ATOM    321  N   ARG C  26       1.936  -0.118   6.013  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.828  -1.470   5.489  1.00  0.33           C
ATOM    323  C   ARG C  26       0.367  -1.870   5.343  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.505  -1.326   6.022  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.545  -2.447   6.424  1.00  0.42           C
ATOM    326  CG  ARG C  26       4.019  -2.136   6.629  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.802  -2.213   5.328  1.00  0.95           C
ATOM    328  NE  ARG C  26       4.703  -3.534   4.711  1.00  1.64           N
ATOM    329  CZ  ARG C  26       5.721  -4.167   4.133  1.00  2.21           C
ATOM    330  NH1 ARG C  26       6.918  -3.595   4.063  1.00  2.24           N
ATOM    331  NH2 ARG C  26       5.542  -5.377   3.622  1.00  3.18           N
ATOM      0  H   ARG C  26       1.696  -0.030   7.000  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.297  -1.502   4.506  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.045  -2.441   7.392  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.449  -3.456   6.022  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.123  -1.139   7.057  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.441  -2.837   7.349  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.429  -1.459   4.634  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       5.849  -1.979   5.520  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       3.796  -4.001   4.724  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       7.062  -2.664   4.454  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       7.693  -4.087   3.618  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       4.625  -5.821   3.672  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       6.321  -5.864   3.179  1.00  3.18           H   new
ATOM    345  N   CYS C  27       0.097  -2.810   4.453  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.256  -3.304   4.278  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.502  -4.471   5.229  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.612  -5.291   5.462  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.505  -3.733   2.824  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.261  -3.830   2.406  1.00  0.37           S
ATOM      0  H   CYS C  27       0.792  -3.243   3.845  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -1.953  -2.499   4.510  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.016  -3.026   2.154  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.043  -4.705   2.654  1.00  0.29           H   new
ATOM      0  HG  CYS C  27      -3.420  -3.586   1.139  1.00  0.37           H   new
ATOM    355  N   THR C  28      -2.695  -4.520   5.804  1.00  0.25           N
ATOM    356  CA  THR C  28      -3.056  -5.584   6.727  1.00  0.31           C
ATOM    357  C   THR C  28      -3.693  -6.760   5.994  1.00  0.33           C
ATOM    358  O   THR C  28      -3.626  -7.900   6.447  1.00  0.44           O
ATOM    359  CB  THR C  28      -4.037  -5.069   7.792  1.00  0.39           C
ATOM    360  OG1 THR C  28      -5.163  -4.456   7.153  1.00  0.75           O
ATOM    361  CG2 THR C  28      -3.361  -4.068   8.716  1.00  0.72           C
ATOM      0  H   THR C  28      -3.431  -3.832   5.646  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -2.137  -5.920   7.207  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -4.372  -5.916   8.391  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -4.904  -3.576   6.807  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -4.077  -3.719   9.460  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -2.520  -4.546   9.218  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -3.001  -3.220   8.133  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.313  -6.475   4.855  1.00  0.31           N
ATOM    370  CA  HIS C  29      -5.005  -7.506   4.088  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.067  -8.162   3.082  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.325  -9.269   2.611  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.226  -6.924   3.370  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.375  -6.610   4.283  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.685  -6.600   3.860  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.407  -6.285   5.598  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -9.470  -6.286   4.874  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.720  -6.089   5.939  1.00  1.43           N
ATOM      0  H   HIS C  29      -4.351  -5.543   4.443  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.345  -8.268   4.789  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -5.929  -6.014   2.849  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.560  -7.631   2.611  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -6.555  -6.197   6.256  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29     -10.546  -6.204   4.837  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -9.061  -5.833   6.866  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -2.984  -7.474   2.753  1.00  0.29           N
ATOM    388  CA  CYS C  30      -1.975  -8.020   1.857  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.621  -7.417   2.210  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.501  -6.705   3.203  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.332  -7.734   0.391  1.00  0.42           C
ATOM    392  SG  CYS C  30      -1.862  -6.091  -0.199  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.781  -6.534   3.094  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -1.933  -9.102   1.978  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -1.849  -8.482  -0.238  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.408  -7.856   0.263  1.00  0.42           H   new
ATOM      0  HG  CYS C  30      -2.297  -5.191   0.632  1.00  0.79           H   new
ATOM    397  N   ALA C  31       0.384  -7.682   1.398  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.710  -7.146   1.628  1.00  0.37           C
ATOM    399  C   ALA C  31       1.973  -5.987   0.679  1.00  0.36           C
ATOM    400  O   ALA C  31       2.045  -6.176  -0.536  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.762  -8.230   1.453  1.00  0.47           C
ATOM      0  H   ALA C  31       0.305  -8.269   0.568  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.768  -6.780   2.653  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.752  -7.809   1.630  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.578  -9.034   2.165  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.712  -8.625   0.438  1.00  0.47           H   new
ATOM    407  N   ALA C  32       2.114  -4.792   1.237  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.326  -3.593   0.439  1.00  0.35           C
ATOM    409  C   ALA C  32       2.808  -2.445   1.309  1.00  0.33           C
ATOM    410  O   ALA C  32       2.509  -2.392   2.504  1.00  0.40           O
ATOM    411  CB  ALA C  32       1.043  -3.193  -0.282  1.00  0.37           C
ATOM      0  H   ALA C  32       2.085  -4.628   2.243  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       3.093  -3.816  -0.303  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       1.223  -2.295  -0.873  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.728  -4.003  -0.940  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.261  -2.995   0.451  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.558  -1.540   0.704  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.019  -0.340   1.378  1.00  0.38           C
ATOM    419  C   ALA C  33       3.485   0.887   0.660  1.00  0.37           C
ATOM    420  O   ALA C  33       3.742   1.086  -0.527  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.531  -0.314   1.435  1.00  0.45           C
ATOM      0  H   ALA C  33       3.864  -1.617  -0.266  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.644  -0.338   2.401  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       5.860   0.592   1.943  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.890  -1.187   1.980  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       5.934  -0.329   0.422  1.00  0.45           H   new
ATOM    427  N   PHE C  34       2.731   1.697   1.375  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.097   2.857   0.785  1.00  0.36           C
ATOM    429  C   PHE C  34       2.005   3.995   1.791  1.00  0.32           C
ATOM    430  O   PHE C  34       1.900   3.767   2.993  1.00  0.36           O
ATOM    431  CB  PHE C  34       0.692   2.485   0.293  1.00  0.45           C
ATOM    432  CG  PHE C  34      -0.242   2.042   1.388  1.00  0.47           C
ATOM    433  CD1 PHE C  34      -0.193   0.746   1.880  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -1.164   2.924   1.928  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -1.044   0.342   2.888  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -2.015   2.525   2.937  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.955   1.231   3.418  1.00  0.61           C
ATOM      0  H   PHE C  34       2.542   1.572   2.370  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       2.703   3.190  -0.057  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       0.257   3.345  -0.216  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       0.776   1.687  -0.444  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.519   0.045   1.469  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -1.217   3.936   1.554  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -0.997  -0.670   3.262  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.728   3.223   3.351  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.621   0.916   4.208  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.079   5.218   1.300  1.00  0.32           N
ATOM    448  CA  HIS C  35       1.762   6.375   2.119  1.00  0.32           C
ATOM    449  C   HIS C  35       0.273   6.643   1.987  1.00  0.33           C
ATOM    450  O   HIS C  35      -0.246   6.752   0.873  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.544   7.615   1.673  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.037   7.482   1.734  1.00  0.32           C
ATOM    453  ND1 HIS C  35       4.842   8.175   0.872  1.00  0.42           N
ATOM    454  CD2 HIS C  35       4.815   6.743   2.562  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.085   7.849   1.176  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.124   6.979   2.202  1.00  0.42           N
ATOM      0  H   HIS C  35       2.354   5.436   0.343  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.038   6.167   3.153  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.258   7.857   0.649  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.244   8.458   2.296  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.474   6.093   3.354  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       6.958   8.231   0.667  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       6.957   6.574   2.629  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.404   6.725   3.126  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.851   6.925   3.164  1.00  0.34           C
ATOM    466  C   TRP C  36      -2.254   8.189   2.406  1.00  0.28           C
ATOM    467  O   TRP C  36      -3.261   8.202   1.708  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.330   7.006   4.618  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.819   7.079   4.762  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.582   8.209   4.805  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.725   5.977   4.891  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.905   7.877   4.943  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -6.021   6.514   4.999  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.569   4.589   4.918  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -7.151   5.711   5.133  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.691   3.793   5.054  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.967   4.356   5.158  1.00  0.68           C
ATOM      0  H   TRP C  36       0.030   6.655   4.046  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -2.325   6.074   2.676  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.964   6.134   5.160  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.886   7.883   5.089  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -4.200   9.217   4.740  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.679   8.539   4.996  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.588   4.145   4.834  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -8.138   6.143   5.214  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.580   2.719   5.080  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.825   3.708   5.260  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.453   9.238   2.526  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.747  10.509   1.867  1.00  0.44           C
ATOM    490  C   ARG C  37      -1.539  10.410   0.357  1.00  0.41           C
ATOM    491  O   ARG C  37      -2.120  11.172  -0.411  1.00  0.51           O
ATOM    492  CB  ARG C  37      -0.871  11.618   2.444  1.00  0.61           C
ATOM    493  CG  ARG C  37      -1.123  11.875   3.919  1.00  0.70           C
ATOM    494  CD  ARG C  37      -0.111  12.848   4.496  1.00  1.05           C
ATOM    495  NE  ARG C  37      -0.184  14.164   3.867  1.00  1.72           N
ATOM    496  CZ  ARG C  37       0.689  15.142   4.092  1.00  2.32           C
ATOM    497  NH1 ARG C  37       1.713  14.945   4.915  1.00  2.37           N
ATOM    498  NH2 ARG C  37       0.542  16.316   3.491  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.593   9.237   3.074  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.795  10.748   2.051  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.177  11.355   2.302  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -1.047  12.538   1.887  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -2.129  12.273   4.053  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -1.077  10.934   4.466  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37      -0.280  12.951   5.568  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37       0.893  12.442   4.369  1.00  1.05           H   new
ATOM      0  HE  ARG C  37      -0.949  14.344   3.217  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       1.831  14.043   5.376  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       2.381  15.696   5.086  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37      -0.241  16.469   2.856  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       1.212  17.065   3.664  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.713   9.465  -0.063  1.00  0.37           N
ATOM    513  CA  CYS C  38      -0.437   9.271  -1.480  1.00  0.36           C
ATOM    514  C   CYS C  38      -1.494   8.379  -2.124  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.701   8.422  -3.336  1.00  0.42           O
ATOM    516  CB  CYS C  38       0.955   8.669  -1.670  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.281   9.691  -0.995  1.00  0.54           S
ATOM      0  H   CYS C  38      -0.222   8.820   0.556  1.00  0.37           H   new
ATOM      0  HA  CYS C  38      -0.470  10.244  -1.971  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       0.986   7.688  -1.195  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.133   8.514  -2.734  1.00  0.34           H   new
ATOM      0  HG  CYS C  38       3.385   9.451  -1.639  1.00  0.54           H   new
ATOM    522  N   HIS C  39      -2.159   7.571  -1.307  1.00  0.35           N
ATOM    523  CA  HIS C  39      -3.172   6.648  -1.807  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.581   7.170  -1.549  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.527   6.803  -2.247  1.00  0.61           O
ATOM    526  CB  HIS C  39      -2.998   5.264  -1.174  1.00  0.43           C
ATOM    527  CG  HIS C  39      -1.957   4.422  -1.847  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.191   3.126  -2.248  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.674   4.693  -2.193  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.102   2.637  -2.812  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.168   3.567  -2.791  1.00  0.56           N
ATOM      0  H   HIS C  39      -2.016   7.536  -0.298  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -3.037   6.565  -2.885  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.732   5.385  -0.124  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -3.952   4.738  -1.202  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.149   5.622  -2.028  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -0.995   1.643  -3.221  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.778   3.466  -3.160  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.722   8.019  -0.542  1.00  0.41           N
ATOM    541  CA  PHE C  40      -6.018   8.589  -0.200  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.912  10.109  -0.045  1.00  0.54           C
ATOM    543  O   PHE C  40      -6.125  10.651   1.041  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.549   7.957   1.093  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.633   6.456   1.039  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -7.772   5.827   0.564  1.00  0.71           C
ATOM    547  CD2 PHE C  40      -5.569   5.675   1.461  1.00  0.55           C
ATOM    548  CE1 PHE C  40      -7.847   4.449   0.511  1.00  0.80           C
ATOM    549  CE2 PHE C  40      -5.638   4.297   1.409  1.00  0.66           C
ATOM    550  CZ  PHE C  40      -6.778   3.683   0.934  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.954   8.329   0.054  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.717   8.373  -1.008  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.903   8.247   1.921  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.539   8.361   1.305  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -8.611   6.421   0.231  1.00  0.71           H   new
ATOM      0  HD2 PHE C  40      -4.674   6.150   1.835  1.00  0.55           H   new
ATOM      0  HE1 PHE C  40      -8.741   3.970   0.139  1.00  0.80           H   new
ATOM      0  HE2 PHE C  40      -4.800   3.701   1.740  1.00  0.66           H   new
ATOM      0  HZ  PHE C  40      -6.835   2.605   0.893  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -5.602  10.823  -1.143  1.00  0.89           N
ATOM    561  CA  PRO C  41      -5.391  12.271  -1.123  1.00  1.04           C
ATOM    562  C   PRO C  41      -6.702  13.050  -1.100  1.00  1.30           C
ATOM    563  O   PRO C  41      -6.707  14.277  -1.173  1.00  1.93           O
ATOM    564  CB  PRO C  41      -4.633  12.552  -2.434  1.00  1.81           C
ATOM    565  CG  PRO C  41      -4.409  11.219  -3.079  1.00  2.12           C
ATOM    566  CD  PRO C  41      -5.433  10.292  -2.498  1.00  1.43           C
ATOM      0  HA  PRO C  41      -4.852  12.583  -0.228  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -5.211  13.208  -3.085  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -3.686  13.053  -2.236  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -4.517  11.288  -4.161  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -3.400  10.856  -2.882  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -6.366  10.312  -3.062  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -5.087   9.258  -2.489  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -7.811  12.331  -0.989  1.00  1.64           N
ATOM    575  CA  ALA C  42      -9.131  12.948  -0.989  1.00  2.34           C
ATOM    576  C   ALA C  42      -9.493  13.484   0.393  1.00  1.92           C
ATOM    577  O   ALA C  42     -10.603  13.972   0.608  1.00  2.41           O
ATOM    578  CB  ALA C  42     -10.177  11.952  -1.467  1.00  3.30           C
ATOM      0  H   ALA C  42      -7.822  11.315  -0.897  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -9.109  13.793  -1.677  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42     -11.159  12.425  -1.462  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -9.935  11.628  -2.479  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42     -10.187  11.088  -0.802  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -8.560  13.381   1.331  1.00  1.37           N
ATOM    585  CA  GLY C  43      -8.789  13.905   2.665  1.00  1.46           C
ATOM    586  C   GLY C  43      -9.140  12.824   3.665  1.00  1.21           C
ATOM    587  O   GLY C  43      -9.516  13.116   4.801  1.00  1.41           O
ATOM      0  H   GLY C  43      -7.649  12.944   1.193  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -7.896  14.431   3.003  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43      -9.596  14.637   2.630  1.00  1.46           H   new
ATOM    591  N   THR C  44      -9.023  11.574   3.240  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.296  10.438   4.106  1.00  0.76           C
ATOM    593  C   THR C  44      -8.243  10.355   5.213  1.00  0.65           C
ATOM    594  O   THR C  44      -7.045  10.403   4.938  1.00  0.73           O
ATOM    595  CB  THR C  44      -9.293   9.131   3.290  1.00  0.83           C
ATOM    596  OG1 THR C  44     -10.066   9.309   2.090  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.865   7.977   4.101  1.00  0.99           C
ATOM      0  H   THR C  44      -8.739  11.321   2.294  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.279  10.574   4.556  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -8.262   8.890   3.033  1.00  0.83           H   new
ATOM      0  HG1 THR C  44     -10.061   8.477   1.572  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.851   7.068   3.500  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.263   7.829   4.998  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.891   8.207   4.387  1.00  0.99           H   new
ATOM    605  N   SER C  45      -8.684  10.245   6.457  1.00  0.67           N
ATOM    606  CA  SER C  45      -7.770  10.196   7.586  1.00  0.69           C
ATOM    607  C   SER C  45      -7.378   8.753   7.897  1.00  0.61           C
ATOM    608  O   SER C  45      -8.161   7.827   7.673  1.00  0.66           O
ATOM    609  CB  SER C  45      -8.417  10.863   8.801  1.00  0.91           C
ATOM    610  OG  SER C  45      -9.728  10.369   9.023  1.00  1.60           O
ATOM      0  H   SER C  45      -9.671  10.188   6.710  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -6.860  10.740   7.333  1.00  0.69           H   new
ATOM      0  HB2 SER C  45      -7.805  10.685   9.685  1.00  0.91           H   new
ATOM      0  HB3 SER C  45      -8.453  11.942   8.650  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -10.116  10.812   9.806  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -6.164   8.567   8.406  1.00  0.66           N
ATOM    617  CA  ARG C  46      -5.648   7.233   8.685  1.00  0.70           C
ATOM    618  C   ARG C  46      -6.231   6.674   9.979  1.00  0.82           C
ATOM    619  O   ARG C  46      -6.084   7.274  11.046  1.00  0.97           O
ATOM    620  CB  ARG C  46      -4.120   7.250   8.780  1.00  0.86           C
ATOM    621  CG  ARG C  46      -3.529   5.894   9.141  1.00  1.10           C
ATOM    622  CD  ARG C  46      -2.023   5.960   9.323  1.00  1.09           C
ATOM    623  NE  ARG C  46      -1.635   6.882  10.386  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -0.743   6.601  11.334  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -0.179   5.400  11.392  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -0.418   7.523  12.228  1.00  2.68           N
ATOM      0  H   ARG C  46      -5.520   9.324   8.633  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -5.949   6.589   7.859  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -3.706   7.578   7.826  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -3.817   7.983   9.528  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -3.990   5.531  10.060  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -3.768   5.174   8.358  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -1.643   4.964   9.551  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -1.559   6.272   8.387  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -2.076   7.802  10.404  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -0.428   4.686  10.708  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       0.503   5.192  12.121  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -0.851   8.446  12.189  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46       0.265   7.310  12.955  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -6.897   5.515   9.897  1.00  0.82           N
ATOM    641  CA  PRO C  47      -7.454   4.837  11.068  1.00  1.01           C
ATOM    642  C   PRO C  47      -6.357   4.229  11.935  1.00  1.13           C
ATOM    643  O   PRO C  47      -5.259   3.939  11.454  1.00  1.14           O
ATOM    644  CB  PRO C  47      -8.328   3.740  10.461  1.00  1.02           C
ATOM    645  CG  PRO C  47      -7.722   3.459   9.132  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.143   4.760   8.653  1.00  0.70           C
ATOM      0  HA  PRO C  47      -8.003   5.516  11.721  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -8.335   2.849  11.088  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -9.363   4.069  10.362  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -6.949   2.694   9.210  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.471   3.085   8.434  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.222   4.605   8.090  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -7.834   5.287   7.995  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -6.661   4.045  13.214  1.00  1.31           N
ATOM    655  CA  GLY C  48      -5.708   3.450  14.129  1.00  1.49           C
ATOM    656  C   GLY C  48      -5.557   1.963  13.895  1.00  1.61           C
ATOM    657  O   GLY C  48      -4.575   1.353  14.317  1.00  1.90           O
ATOM      0  H   GLY C  48      -7.555   4.299  13.634  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -4.740   3.936  14.012  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -6.031   3.625  15.155  1.00  1.49           H   new
ATOM    661  N   THR C  49      -6.544   1.382  13.230  1.00  1.53           N
ATOM    662  CA  THR C  49      -6.501  -0.017  12.859  1.00  1.70           C
ATOM    663  C   THR C  49      -7.223  -0.233  11.532  1.00  1.25           C
ATOM    664  O   THR C  49      -8.235   0.414  11.248  1.00  1.89           O
ATOM    665  CB  THR C  49      -7.119  -0.919  13.952  1.00  2.25           C
ATOM    666  OG1 THR C  49      -7.154  -2.283  13.509  1.00  2.72           O
ATOM    667  CG2 THR C  49      -8.522  -0.459  14.313  1.00  2.75           C
ATOM      0  H   THR C  49      -7.391   1.867  12.935  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -5.453  -0.297  12.750  1.00  1.70           H   new
ATOM      0  HB  THR C  49      -6.493  -0.845  14.841  1.00  2.25           H   new
ATOM      0  HG1 THR C  49      -7.546  -2.845  14.210  1.00  2.72           H   new
ATOM      0 HG21 THR C  49      -8.932  -1.112  15.084  1.00  2.75           H   new
ATOM      0 HG22 THR C  49      -8.485   0.564  14.686  1.00  2.75           H   new
ATOM      0 HG23 THR C  49      -9.157  -0.499  13.428  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -6.684  -1.120  10.711  1.00  0.82           N
ATOM    676  CA  GLY C  50      -7.308  -1.431   9.445  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.683  -0.674   8.294  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.384  -0.010   7.528  1.00  0.60           O
ATOM      0  H   GLY C  50      -5.822  -1.631  10.901  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -7.230  -2.502   9.258  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -8.371  -1.194   9.498  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -5.364  -0.753   8.185  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.646  -0.120   7.086  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.763  -0.962   5.821  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.369  -2.129   5.793  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.170   0.076   7.457  1.00  0.50           C
ATOM    687  CG  LEU C  51      -2.808   1.422   8.099  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.878   2.537   7.072  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -3.723   1.737   9.274  1.00  0.86           C
ATOM      0  H   LEU C  51      -4.767  -1.251   8.846  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.092   0.856   6.897  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -2.880  -0.720   8.143  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.570  -0.046   6.555  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -1.787   1.347   8.473  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.618   3.484   7.545  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.177   2.331   6.263  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.889   2.598   6.669  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -3.441   2.697   9.707  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -4.756   1.784   8.929  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.628   0.956  10.029  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.291  -0.362   4.768  1.00  0.32           N
ATOM    702  CA  ARG C  52      -5.499  -1.068   3.516  1.00  0.33           C
ATOM    703  C   ARG C  52      -4.883  -0.298   2.363  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.003   0.923   2.281  1.00  0.42           O
ATOM    705  CB  ARG C  52      -6.993  -1.270   3.249  1.00  0.48           C
ATOM    706  CG  ARG C  52      -7.700  -2.133   4.281  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.166  -2.326   3.929  1.00  0.79           C
ATOM    708  NE  ARG C  52      -9.893  -1.059   3.883  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.158  -0.938   3.491  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -11.819  -1.993   3.034  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -11.752   0.247   3.527  1.00  2.65           N
ATOM      0  H   ARG C  52      -5.584   0.615   4.756  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.017  -2.042   3.598  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -7.479  -0.295   3.213  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.117  -1.724   2.266  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.208  -3.104   4.345  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -7.618  -1.669   5.264  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.244  -2.823   2.962  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.631  -2.984   4.664  1.00  0.79           H   new
ATOM      0  HE  ARG C  52      -9.399  -0.214   4.170  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.357  -2.901   2.982  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -12.789  -1.896   2.734  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -11.239   1.065   3.855  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -12.722   0.340   3.226  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.219  -1.018   1.474  1.00  0.33           N
ATOM    726  CA  CYS C  53      -3.654  -0.418   0.279  1.00  0.41           C
ATOM    727  C   CYS C  53      -4.777  -0.074  -0.698  1.00  0.45           C
ATOM    728  O   CYS C  53      -5.948  -0.301  -0.393  1.00  0.47           O
ATOM    729  CB  CYS C  53      -2.651  -1.370  -0.374  1.00  0.47           C
ATOM    730  SG  CYS C  53      -3.415  -2.788  -1.190  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.058  -2.022   1.559  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -3.126   0.495   0.553  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -2.062  -0.816  -1.105  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -1.958  -1.730   0.387  1.00  0.47           H   new
ATOM      0  HG  CYS C  53      -2.842  -3.882  -0.785  1.00  0.49           H   new
ATOM    735  N   ARG C  54      -4.440   0.429  -1.875  1.00  0.58           N
ATOM    736  CA  ARG C  54      -5.462   0.904  -2.800  1.00  0.68           C
ATOM    737  C   ARG C  54      -6.310  -0.259  -3.308  1.00  0.64           C
ATOM    738  O   ARG C  54      -7.533  -0.152  -3.404  1.00  0.68           O
ATOM    739  CB  ARG C  54      -4.821   1.650  -3.972  1.00  0.87           C
ATOM    740  CG  ARG C  54      -5.817   2.410  -4.835  1.00  1.28           C
ATOM    741  CD  ARG C  54      -6.600   3.429  -4.016  1.00  1.82           C
ATOM    742  NE  ARG C  54      -7.501   4.230  -4.840  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -8.474   4.995  -4.346  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -8.680   5.046  -3.036  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -9.239   5.711  -5.159  1.00  4.09           N
ATOM      0  H   ARG C  54      -3.481   0.519  -2.211  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -6.112   1.596  -2.265  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -4.082   2.351  -3.584  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -4.285   0.935  -4.596  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -5.288   2.918  -5.641  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -6.508   1.707  -5.300  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -7.177   2.910  -3.250  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -5.903   4.088  -3.498  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -7.379   4.202  -5.852  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -8.093   4.499  -2.406  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -9.425   5.632  -2.659  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -9.084   5.677  -6.167  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -9.983   6.295  -4.777  1.00  4.09           H   new
ATOM    759  N   SER C  55      -5.658  -1.379  -3.592  1.00  0.62           N
ATOM    760  CA  SER C  55      -6.337  -2.546  -4.135  1.00  0.65           C
ATOM    761  C   SER C  55      -7.290  -3.166  -3.111  1.00  0.60           C
ATOM    762  O   SER C  55      -8.421  -3.521  -3.442  1.00  0.68           O
ATOM    763  CB  SER C  55      -5.304  -3.572  -4.582  1.00  0.72           C
ATOM    764  OG  SER C  55      -4.284  -2.950  -5.345  1.00  1.54           O
ATOM      0  H   SER C  55      -4.655  -1.503  -3.454  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -6.933  -2.230  -4.991  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -4.868  -4.061  -3.711  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -5.787  -4.349  -5.175  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -3.627  -3.622  -5.623  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -6.838  -3.284  -1.865  1.00  0.52           N
ATOM    771  CA  CYS C  56      -7.675  -3.840  -0.804  1.00  0.54           C
ATOM    772  C   CYS C  56      -8.781  -2.861  -0.417  1.00  0.61           C
ATOM    773  O   CYS C  56      -9.766  -3.243   0.210  1.00  0.72           O
ATOM    774  CB  CYS C  56      -6.841  -4.211   0.424  1.00  0.50           C
ATOM    775  SG  CYS C  56      -5.620  -5.515   0.128  1.00  0.65           S
ATOM      0  H   CYS C  56      -5.904  -3.004  -1.566  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.135  -4.750  -1.189  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.325  -3.320   0.781  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.512  -4.531   1.221  1.00  0.50           H   new
ATOM      0  HG  CYS C  56      -4.544  -5.265   0.813  1.00  0.65           H   new
ATOM    780  N   SER C  57      -8.614  -1.600  -0.798  1.00  0.62           N
ATOM    781  CA  SER C  57      -9.632  -0.590  -0.554  1.00  0.74           C
ATOM    782  C   SER C  57     -10.645  -0.563  -1.695  1.00  0.89           C
ATOM    783  O   SER C  57     -11.346   0.429  -1.894  1.00  1.13           O
ATOM    784  CB  SER C  57      -8.994   0.788  -0.377  1.00  0.78           C
ATOM    785  OG  SER C  57      -8.131   0.806   0.749  1.00  1.25           O
ATOM      0  H   SER C  57      -7.783  -1.254  -1.277  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.154  -0.849   0.367  1.00  0.74           H   new
ATOM      0  HB2 SER C  57      -8.433   1.051  -1.274  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -9.773   1.541  -0.255  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -7.253   0.453   0.494  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -10.699  -1.651  -2.459  1.00  0.86           N
ATOM    792  CA  GLY C  58     -11.726  -1.796  -3.466  1.00  1.06           C
ATOM    793  C   GLY C  58     -13.087  -1.920  -2.820  1.00  1.50           C
ATOM    794  O   GLY C  58     -14.067  -1.337  -3.285  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.047  -2.433  -2.395  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -11.712  -0.936  -4.135  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -11.524  -2.677  -4.075  1.00  1.06           H   new