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  15 CYS SG  :   rot -131:sc=  -0.797
USER  MOD Set 1.2: C  18 CYS SG  :   rot  140:sc=    1.01
USER  MOD Set 1.3: C  35 HIS     :     no HD1:sc=   0.379  K(o=-3.9,f=-5.8)
USER  MOD Set 1.4: C  38 CYS SG  :   rot -141:sc=    -4.5!
USER  MOD Set 2.1: C  27 CYS SG  :   rot  151:sc=    2.22
USER  MOD Set 2.2: C  30 CYS SG  :   rot  -49:sc=   0.536
USER  MOD Set 2.3: C  53 CYS SG  :   rot -129:sc=   0.736
USER  MOD Set 2.4: C  56 CYS SG  :   rot  147:sc=   0.273
USER  MOD Set 3.1: C  28 THR OG1 :   rot  -83:sc=    1.21
USER  MOD Set 3.2: C  29 HIS     :     no HD1:sc=  -0.215  X(o=1,f=1.1)
USER  MOD Single : C  22 THR OG1 :   rot  103:sc=     1.1
USER  MOD Single : C  39 HIS     :     no HD1:sc=   -0.13  K(o=-0.13,f=-2.8!)
USER  MOD Single : C  44 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
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  -78:sc=   0.676
USER  MOD -----------------------------------------------------------------
ATOM    167  N   ARG C  14       8.592   0.298   0.029  1.00  1.06           N
ATOM    168  CA  ARG C  14       8.817   1.562  -0.646  1.00  0.77           C
ATOM    169  C   ARG C  14       7.541   2.041  -1.338  1.00  0.65           C
ATOM    170  O   ARG C  14       6.898   1.280  -2.059  1.00  0.73           O
ATOM    171  CB  ARG C  14       9.947   1.391  -1.665  1.00  0.75           C
ATOM    172  CG  ARG C  14      10.292   2.650  -2.437  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.444   2.405  -3.396  1.00  1.12           C
ATOM    174  NE  ARG C  14      11.125   1.373  -4.381  1.00  1.74           N
ATOM    175  CZ  ARG C  14      12.032   0.758  -5.140  1.00  2.20           C
ATOM    176  NH1 ARG C  14      13.320   1.058  -5.020  1.00  2.19           N
ATOM    177  NH2 ARG C  14      11.647  -0.164  -6.013  1.00  3.18           N
ATOM      0  HA  ARG C  14       9.100   2.316   0.089  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14      10.839   1.043  -1.145  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       9.666   0.611  -2.373  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14       9.418   2.990  -2.993  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      10.557   3.446  -1.741  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      11.691   3.334  -3.911  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      12.328   2.108  -2.832  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      10.147   1.107  -4.495  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.619   1.762  -4.345  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      14.010   0.585  -5.603  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      10.659  -0.401  -6.102  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      12.339  -0.636  -6.595  1.00  3.18           H   new
ATOM    191  N   CYS C  15       7.178   3.299  -1.103  1.00  0.53           N
ATOM    192  CA  CYS C  15       6.002   3.900  -1.727  1.00  0.46           C
ATOM    193  C   CYS C  15       6.245   4.093  -3.218  1.00  0.42           C
ATOM    194  O   CYS C  15       7.062   4.922  -3.612  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.690   5.248  -1.057  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.370   6.226  -1.830  1.00  0.48           S
ATOM      0  H   CYS C  15       7.686   3.927  -0.480  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       5.148   3.236  -1.597  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.418   5.062  -0.018  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.601   5.846  -1.046  1.00  0.46           H   new
ATOM      0  HG  CYS C  15       4.778   7.449  -1.999  1.00  0.48           H   new
ATOM    201  N   GLY C  16       5.534   3.326  -4.038  1.00  0.56           N
ATOM    202  CA  GLY C  16       5.713   3.393  -5.482  1.00  0.65           C
ATOM    203  C   GLY C  16       5.354   4.750  -6.058  1.00  0.54           C
ATOM    204  O   GLY C  16       5.765   5.094  -7.165  1.00  0.61           O
ATOM      0  H   GLY C  16       4.832   2.654  -3.728  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       6.750   3.163  -5.726  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       5.097   2.628  -5.955  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.589   5.522  -5.303  1.00  0.52           N
ATOM    209  CA  VAL C  17       4.197   6.860  -5.722  1.00  0.65           C
ATOM    210  C   VAL C  17       5.359   7.841  -5.554  1.00  0.66           C
ATOM    211  O   VAL C  17       5.501   8.795  -6.318  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.983   7.361  -4.908  1.00  0.78           C
ATOM    213  CG1 VAL C  17       2.518   8.725  -5.396  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.843   6.355  -4.972  1.00  0.94           C
ATOM      0  H   VAL C  17       4.225   5.244  -4.392  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.920   6.807  -6.775  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       3.297   7.465  -3.869  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       1.663   9.051  -4.804  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       3.329   9.445  -5.289  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       2.229   8.657  -6.445  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.997   6.726  -4.393  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.539   6.215  -6.009  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.175   5.402  -4.560  1.00  0.94           H   new
ATOM    224  N   CYS C  18       6.201   7.585  -4.562  1.00  0.55           N
ATOM    225  CA  CYS C  18       7.290   8.499  -4.231  1.00  0.70           C
ATOM    226  C   CYS C  18       8.656   7.933  -4.607  1.00  0.68           C
ATOM    227  O   CYS C  18       9.629   8.675  -4.758  1.00  0.84           O
ATOM    228  CB  CYS C  18       7.259   8.814  -2.736  1.00  0.82           C
ATOM    229  SG  CYS C  18       5.785   9.713  -2.221  1.00  0.82           S
ATOM      0  H   CYS C  18       6.153   6.754  -3.972  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       7.142   9.409  -4.812  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       7.321   7.881  -2.175  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       8.141   9.400  -2.478  1.00  0.82           H   new
ATOM      0  HG  CYS C  18       5.372   9.251  -1.078  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.725   6.619  -4.754  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.994   5.964  -4.991  1.00  0.67           C
ATOM    236  C   GLY C  19      10.837   5.935  -3.735  1.00  0.68           C
ATOM    237  O   GLY C  19      12.051   5.745  -3.786  1.00  0.77           O
ATOM      0  H   GLY C  19       7.921   5.992  -4.713  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.821   4.946  -5.340  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.533   6.485  -5.782  1.00  0.67           H   new
ATOM    241  N   ASP C  20      10.171   6.115  -2.601  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.833   6.190  -1.307  1.00  0.70           C
ATOM    243  C   ASP C  20       9.998   5.469  -0.253  1.00  0.52           C
ATOM    244  O   ASP C  20       8.769   5.460  -0.335  1.00  0.44           O
ATOM    245  CB  ASP C  20      11.029   7.654  -0.909  1.00  0.80           C
ATOM    246  CG  ASP C  20      11.712   7.803   0.430  1.00  1.30           C
ATOM    247  OD1 ASP C  20      11.013   7.831   1.463  1.00  2.10           O
ATOM    248  OD2 ASP C  20      12.952   7.895   0.455  1.00  1.40           O
ATOM      0  H   ASP C  20       9.157   6.213  -2.554  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.808   5.707  -1.376  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      11.620   8.159  -1.673  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20      10.060   8.151  -0.876  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.655   4.862   0.725  1.00  0.55           N
ATOM    254  CA  GLY C  21       9.942   4.097   1.728  1.00  0.51           C
ATOM    255  C   GLY C  21      10.131   4.623   3.137  1.00  0.45           C
ATOM    256  O   GLY C  21      10.112   3.850   4.094  1.00  0.51           O
ATOM      0  H   GLY C  21      11.668   4.885   0.842  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       8.879   4.099   1.487  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      10.276   3.060   1.688  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.324   5.927   3.277  1.00  0.44           N
ATOM    261  CA  THR C  22      10.435   6.535   4.596  1.00  0.46           C
ATOM    262  C   THR C  22       9.059   6.628   5.249  1.00  0.39           C
ATOM    263  O   THR C  22       8.147   7.251   4.695  1.00  0.41           O
ATOM    264  CB  THR C  22      11.061   7.943   4.516  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.259   7.898   3.727  1.00  1.06           O
ATOM    266  CG2 THR C  22      11.385   8.474   5.903  1.00  0.90           C
ATOM      0  H   THR C  22      10.407   6.581   2.499  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.086   5.902   5.199  1.00  0.46           H   new
ATOM      0  HB  THR C  22      10.338   8.612   4.049  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.076   8.257   2.834  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      11.825   9.468   5.819  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      10.471   8.531   6.494  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.092   7.805   6.393  1.00  0.90           H   new
ATOM    274  N   ASP C  23       8.920   5.995   6.419  1.00  0.41           N
ATOM    275  CA  ASP C  23       7.643   5.935   7.136  1.00  0.45           C
ATOM    276  C   ASP C  23       6.552   5.380   6.235  1.00  0.38           C
ATOM    277  O   ASP C  23       5.487   5.979   6.082  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.227   7.314   7.662  1.00  0.59           C
ATOM    279  CG  ASP C  23       8.126   7.824   8.766  1.00  1.39           C
ATOM    280  OD1 ASP C  23       8.083   7.268   9.883  1.00  1.75           O
ATOM    281  OD2 ASP C  23       8.877   8.791   8.525  1.00  2.23           O
ATOM      0  H   ASP C  23       9.684   5.513   6.892  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       7.779   5.271   7.989  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       7.233   8.027   6.838  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       6.203   7.262   8.031  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.814   4.229   5.649  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.909   3.664   4.667  1.00  0.31           C
ATOM    288  C   VAL C  24       4.859   2.786   5.345  1.00  0.32           C
ATOM    289  O   VAL C  24       5.155   2.056   6.295  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.689   2.861   3.600  1.00  0.36           C
ATOM    291  CG1 VAL C  24       7.203   1.542   4.152  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.846   2.644   2.361  1.00  1.16           C
ATOM      0  H   VAL C  24       7.645   3.667   5.835  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.396   4.484   4.165  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.559   3.453   3.317  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.745   1.008   3.372  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.871   1.735   4.992  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       6.362   0.936   4.489  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       6.418   2.077   1.627  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       4.946   2.090   2.626  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.567   3.609   1.937  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.626   2.884   4.874  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.527   2.122   5.438  1.00  0.30           C
ATOM    304  C   LEU C  25       2.430   0.755   4.783  1.00  0.30           C
ATOM    305  O   LEU C  25       2.754   0.592   3.605  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.203   2.875   5.271  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.083   4.178   6.058  1.00  0.37           C
ATOM    308  CD1 LEU C  25      -0.302   4.768   5.876  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.378   3.952   7.532  1.00  0.48           C
ATOM      0  H   LEU C  25       3.362   3.489   4.097  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.723   1.989   6.502  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       1.062   3.096   4.213  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.389   2.214   5.570  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       1.820   4.883   5.674  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25      -0.379   5.697   6.441  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.475   4.970   4.819  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -1.049   4.061   6.237  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.286   4.895   8.070  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.669   3.231   7.939  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.391   3.567   7.645  1.00  0.48           H   new
ATOM    321  N   ARG C  26       1.992  -0.221   5.562  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.836  -1.584   5.087  1.00  0.33           C
ATOM    323  C   ARG C  26       0.360  -1.961   5.081  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.418  -1.455   5.894  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.613  -2.546   5.990  1.00  0.42           C
ATOM    326  CG  ARG C  26       4.107  -2.260   6.062  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.795  -2.486   4.723  1.00  0.95           C
ATOM    328  NE  ARG C  26       4.696  -3.877   4.282  1.00  1.64           N
ATOM    329  CZ  ARG C  26       5.099  -4.313   3.089  1.00  2.21           C
ATOM    330  NH1 ARG C  26       5.660  -3.477   2.228  1.00  2.24           N
ATOM    331  NH2 ARG C  26       4.947  -5.586   2.759  1.00  3.18           N
ATOM      0  H   ARG C  26       1.735  -0.090   6.540  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.229  -1.654   4.073  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.196  -2.500   6.996  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.466  -3.564   5.630  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.264  -1.230   6.381  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.563  -2.901   6.817  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.348  -1.835   3.972  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       5.845  -2.205   4.803  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       4.293  -4.556   4.928  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       5.785  -2.496   2.477  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       5.967  -3.814   1.316  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       4.520  -6.236   3.419  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       5.257  -5.916   1.845  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.029  -2.836   4.167  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.405  -3.296   4.106  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.594  -4.461   5.071  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.756  -5.355   5.148  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.782  -3.716   2.676  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.560  -3.965   2.431  1.00  0.37           S
ATOM      0  H   CYS C  27       0.586  -3.240   3.461  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.063  -2.477   4.396  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.432  -2.954   1.979  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.258  -4.639   2.428  1.00  0.29           H   new
ATOM      0  HG  CYS C  27      -3.868  -3.705   1.195  1.00  0.37           H   new
ATOM    355  N   THR C  28      -2.684  -4.433   5.818  1.00  0.25           N
ATOM    356  CA  THR C  28      -2.978  -5.489   6.777  1.00  0.31           C
ATOM    357  C   THR C  28      -3.620  -6.689   6.094  1.00  0.33           C
ATOM    358  O   THR C  28      -3.630  -7.797   6.630  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.913  -4.975   7.886  1.00  0.39           C
ATOM    360  OG1 THR C  28      -5.071  -4.364   7.299  1.00  0.75           O
ATOM    361  CG2 THR C  28      -3.197  -3.967   8.774  1.00  0.72           C
ATOM      0  H   THR C  28      -3.382  -3.690   5.780  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -2.031  -5.799   7.219  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -4.217  -5.822   8.500  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -4.863  -3.439   7.052  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.878  -3.618   9.550  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -2.331  -4.440   9.237  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.869  -3.120   8.172  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.150  -6.461   4.900  1.00  0.31           N
ATOM    370  CA  HIS C  29      -4.862  -7.501   4.171  1.00  0.36           C
ATOM    371  C   HIS C  29      -3.993  -8.135   3.089  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.251  -9.258   2.662  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.140  -6.937   3.556  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.297  -6.891   4.507  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.439  -7.637   4.332  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.490  -6.177   5.642  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -9.283  -7.384   5.311  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.732  -6.501   6.120  1.00  1.43           N
ATOM      0  H   HIS C  29      -4.100  -5.565   4.416  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.121  -8.282   4.886  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -5.942  -5.930   3.189  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.415  -7.542   2.692  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -6.794  -5.482   6.087  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29     -10.261  -7.825   5.431  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -9.161  -6.121   6.964  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -2.971  -7.417   2.644  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.061  -7.945   1.636  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.676  -7.330   1.826  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.397  -6.743   2.867  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.594  -7.668   0.220  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.279  -6.000  -0.402  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.752  -6.473   2.962  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -1.988  -9.026   1.755  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.147  -8.386  -0.467  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.669  -7.846   0.212  1.00  0.42           H   new
ATOM      0  HG  CYS C  30      -2.635  -5.128   0.494  1.00  0.79           H   new
ATOM    397  N   ALA C  31       0.181  -7.461   0.830  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.521  -6.907   0.896  1.00  0.37           C
ATOM    399  C   ALA C  31       1.595  -5.628   0.076  1.00  0.36           C
ATOM    400  O   ALA C  31       1.421  -5.655  -1.143  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.543  -7.918   0.401  1.00  0.47           C
ATOM      0  H   ALA C  31      -0.029  -7.950  -0.040  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.752  -6.672   1.935  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.541  -7.484   0.458  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.500  -8.813   1.022  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.321  -8.183  -0.633  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.840  -4.510   0.744  1.00  0.32           N
ATOM    408  CA  ALA C  32       1.889  -3.223   0.070  1.00  0.35           C
ATOM    409  C   ALA C  32       2.676  -2.208   0.878  1.00  0.33           C
ATOM    410  O   ALA C  32       2.665  -2.236   2.109  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.483  -2.704  -0.187  1.00  0.37           C
ATOM      0  H   ALA C  32       2.007  -4.469   1.749  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.396  -3.367  -0.884  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.538  -1.740  -0.692  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32      -0.057  -3.412  -0.815  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32      -0.041  -2.587   0.762  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.355  -1.319   0.175  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.115  -0.251   0.796  1.00  0.38           C
ATOM    419  C   ALA C  33       3.787   1.070   0.125  1.00  0.37           C
ATOM    420  O   ALA C  33       4.107   1.283  -1.044  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.599  -0.542   0.700  1.00  0.45           C
ATOM      0  H   ALA C  33       3.394  -1.318  -0.844  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.845  -0.186   1.850  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.159   0.266   1.169  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.820  -1.480   1.210  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       5.887  -0.622  -0.348  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.139   1.949   0.861  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.712   3.227   0.324  1.00  0.36           C
ATOM    429  C   PHE C  34       2.521   4.220   1.455  1.00  0.32           C
ATOM    430  O   PHE C  34       2.478   3.836   2.617  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.397   3.057  -0.444  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.261   2.545   0.404  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.109   1.187   0.636  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.654   3.422   0.967  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.929   0.716   1.415  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.694   2.956   1.746  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.832   1.601   1.969  1.00  0.61           C
ATOM      0  H   PHE C  34       2.894   1.801   1.840  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.476   3.601  -0.357  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.112   4.016  -0.876  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.558   2.369  -1.274  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.810   0.489   0.203  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.552   4.483   0.794  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -1.034  -0.344   1.591  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.398   3.650   2.180  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.646   1.233   2.576  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.426   5.490   1.120  1.00  0.32           N
ATOM    448  CA  HIS C  35       2.054   6.491   2.104  1.00  0.32           C
ATOM    449  C   HIS C  35       0.566   6.749   1.981  1.00  0.33           C
ATOM    450  O   HIS C  35       0.047   6.785   0.862  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.826   7.803   1.909  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.321   7.656   1.904  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.089   8.250   0.933  1.00  0.42           N
ATOM    454  CD2 HIS C  35       5.134   6.993   2.762  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.343   7.939   1.211  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.423   7.176   2.317  1.00  0.42           N
ATOM      0  H   HIS C  35       2.599   5.854   0.183  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.304   6.115   3.096  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.516   8.255   0.967  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.545   8.496   2.702  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.828   6.428   3.630  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.194   8.256   0.626  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.273   6.806   2.742  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.121   6.876   3.105  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.571   7.082   3.105  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.991   8.150   2.093  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.825   7.895   1.219  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.047   7.478   4.503  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.534   7.615   4.606  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.239   8.758   4.851  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.501   6.570   4.458  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.585   8.486   4.868  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.772   7.148   4.628  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.412   5.199   4.198  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -6.944   6.403   4.546  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.577   4.461   4.117  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.828   5.064   4.290  1.00  0.68           C
ATOM      0  H   TRP C  36       0.298   6.841   4.034  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -2.037   6.141   2.813  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.708   6.730   5.220  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.582   8.423   4.783  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.802   9.733   5.008  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.326   9.168   5.032  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.451   4.726   4.063  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -7.911   6.865   4.680  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.521   3.401   3.917  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.720   4.460   4.220  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.360   9.315   2.184  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.729  10.473   1.370  1.00  0.44           C
ATOM    490  C   ARG C  37      -1.361  10.283  -0.102  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.694  11.113  -0.946  1.00  0.51           O
ATOM    492  CB  ARG C  37      -1.044  11.721   1.918  1.00  0.61           C
ATOM    493  CG  ARG C  37      -1.404  12.015   3.362  1.00  0.70           C
ATOM    494  CD  ARG C  37      -0.544  13.125   3.936  1.00  1.05           C
ATOM    495  NE  ARG C  37       0.866  12.738   4.001  1.00  1.72           N
ATOM    496  CZ  ARG C  37       1.795  13.420   4.667  1.00  2.32           C
ATOM    497  NH1 ARG C  37       1.468  14.526   5.316  1.00  2.37           N
ATOM    498  NH2 ARG C  37       3.051  12.992   4.682  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.581   9.486   2.820  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.812  10.585   1.424  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.036  11.600   1.837  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -1.316  12.577   1.301  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -2.455  12.298   3.425  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -1.280  11.112   3.960  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37      -0.648  14.020   3.323  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37      -0.898  13.380   4.935  1.00  1.05           H   new
ATOM      0  HE  ARG C  37       1.154  11.894   3.506  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       0.503  14.857   5.306  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       2.181  15.048   5.826  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37       3.305  12.140   4.183  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       3.762  13.515   5.193  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.674   9.195  -0.404  1.00  0.37           N
ATOM    513  CA  CYS C  38      -0.278   8.895  -1.769  1.00  0.36           C
ATOM    514  C   CYS C  38      -1.327   8.030  -2.455  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.396   7.968  -3.681  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.105   8.243  -1.767  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.323   9.287  -0.942  1.00  0.54           S
ATOM      0  H   CYS C  38      -0.377   8.501   0.282  1.00  0.37           H   new
ATOM      0  HA  CYS C  38      -0.211   9.819  -2.344  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.053   7.277  -1.266  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.421   8.053  -2.793  1.00  0.34           H   new
ATOM      0  HG  CYS C  38       3.449   9.234  -1.589  1.00  0.54           H   new
ATOM    522  N   HIS C  39      -2.140   7.359  -1.653  1.00  0.35           N
ATOM    523  CA  HIS C  39      -3.256   6.582  -2.176  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.572   7.314  -1.953  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.471   7.260  -2.790  1.00  0.61           O
ATOM    526  CB  HIS C  39      -3.311   5.201  -1.525  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.475   4.176  -2.223  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.990   2.995  -2.701  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -1.153   4.151  -2.511  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -2.026   2.287  -3.251  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.897   2.964  -3.153  1.00  0.56           N
ATOM      0  H   HIS C  39      -2.049   7.336  -0.637  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -3.101   6.455  -3.247  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.981   5.283  -0.490  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -4.346   4.860  -1.503  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.433   4.922  -2.279  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -2.140   1.314  -3.706  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.013   2.657  -3.496  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.678   7.999  -0.827  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.884   8.734  -0.481  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.557  10.206  -0.268  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.461  10.541   0.175  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.517   8.154   0.788  1.00  0.51           C
ATOM    545  CG  PHE C  40      -7.087   6.773   0.616  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -6.286   5.655   0.783  1.00  0.55           C
ATOM    547  CD2 PHE C  40      -8.420   6.593   0.280  1.00  0.71           C
ATOM    548  CE1 PHE C  40      -6.802   4.384   0.620  1.00  0.66           C
ATOM    549  CE2 PHE C  40      -8.942   5.324   0.117  1.00  0.80           C
ATOM    550  CZ  PHE C  40      -8.150   4.222   0.309  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.936   8.062  -0.130  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.594   8.641  -1.303  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.765   8.129   1.577  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.309   8.823   1.124  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -5.245   5.779   1.044  1.00  0.55           H   new
ATOM      0  HD2 PHE C  40      -9.057   7.454   0.144  1.00  0.71           H   new
ATOM      0  HE1 PHE C  40      -6.163   3.520   0.733  1.00  0.66           H   new
ATOM      0  HE2 PHE C  40      -9.978   5.200  -0.163  1.00  0.80           H   new
ATOM      0  HZ  PHE C  40      -8.570   3.231   0.219  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.493  11.107  -0.601  1.00  0.89           N
ATOM    561  CA  PRO C  41      -6.321  12.541  -0.371  1.00  1.04           C
ATOM    562  C   PRO C  41      -6.234  12.865   1.115  1.00  1.30           C
ATOM    563  O   PRO C  41      -6.682  12.089   1.962  1.00  1.93           O
ATOM    564  CB  PRO C  41      -7.583  13.163  -0.980  1.00  1.81           C
ATOM    565  CG  PRO C  41      -8.579  12.058  -1.004  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.788  10.802  -1.227  1.00  1.43           C
ATOM      0  HA  PRO C  41      -5.398  12.919  -0.811  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -7.938  14.002  -0.382  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -7.391  13.544  -1.983  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -9.133  12.010  -0.067  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -9.310  12.207  -1.799  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -8.265   9.938  -0.765  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -7.680  10.577  -2.288  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -5.672  14.026   1.418  1.00  1.64           N
ATOM    575  CA  ALA C  42      -5.418  14.438   2.797  1.00  2.34           C
ATOM    576  C   ALA C  42      -6.712  14.684   3.567  1.00  1.92           C
ATOM    577  O   ALA C  42      -6.690  14.895   4.779  1.00  2.41           O
ATOM    578  CB  ALA C  42      -4.546  15.683   2.819  1.00  3.30           C
ATOM      0  H   ALA C  42      -5.379  14.709   0.720  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -4.894  13.621   3.293  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -4.363  15.981   3.851  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -3.596  15.470   2.329  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -5.053  16.492   2.292  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -7.834  14.659   2.858  1.00  1.37           N
ATOM    585  CA  GLY C  43      -9.124  14.798   3.504  1.00  1.46           C
ATOM    586  C   GLY C  43      -9.613  13.480   4.073  1.00  1.21           C
ATOM    587  O   GLY C  43     -10.628  13.432   4.770  1.00  1.41           O
ATOM      0  H   GLY C  43      -7.873  14.545   1.845  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -9.053  15.535   4.304  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43      -9.851  15.176   2.786  1.00  1.46           H   new
ATOM    591  N   THR C  44      -8.891  12.410   3.769  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.221  11.091   4.273  1.00  0.76           C
ATOM    593  C   THR C  44      -8.364  10.763   5.494  1.00  0.65           C
ATOM    594  O   THR C  44      -7.143  10.949   5.479  1.00  0.73           O
ATOM    595  CB  THR C  44      -9.001  10.017   3.189  1.00  0.83           C
ATOM    596  OG1 THR C  44      -9.644  10.413   1.971  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.555   8.674   3.634  1.00  0.99           C
ATOM      0  H   THR C  44      -8.066  12.435   3.170  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.273  11.093   4.557  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -7.928   9.917   3.025  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -9.499   9.727   1.286  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.387   7.934   2.852  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.051   8.357   4.547  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.625   8.766   3.823  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.001  10.273   6.545  1.00  0.67           N
ATOM    606  CA  SER C  45      -8.301   9.941   7.771  1.00  0.69           C
ATOM    607  C   SER C  45      -7.802   8.501   7.719  1.00  0.61           C
ATOM    608  O   SER C  45      -8.476   7.620   7.181  1.00  0.66           O
ATOM    609  CB  SER C  45      -9.225  10.142   8.975  1.00  0.91           C
ATOM    610  OG  SER C  45      -8.543   9.907  10.195  1.00  1.60           O
ATOM      0  H   SER C  45     -10.005  10.097   6.572  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -7.441  10.603   7.876  1.00  0.69           H   new
ATOM      0  HB2 SER C  45      -9.620  11.158   8.967  1.00  0.91           H   new
ATOM      0  HB3 SER C  45     -10.078   9.468   8.898  1.00  0.91           H   new
ATOM      0  HG  SER C  45      -9.158  10.045  10.945  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -6.615   8.276   8.262  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.009   6.954   8.263  1.00  0.70           C
ATOM    618  C   ARG C  46      -6.586   6.094   9.385  1.00  0.82           C
ATOM    619  O   ARG C  46      -6.604   6.513  10.545  1.00  0.97           O
ATOM    620  CB  ARG C  46      -4.492   7.059   8.432  1.00  0.86           C
ATOM    621  CG  ARG C  46      -3.801   5.708   8.419  1.00  1.10           C
ATOM    622  CD  ARG C  46      -2.358   5.795   8.885  1.00  1.09           C
ATOM    623  NE  ARG C  46      -1.725   4.475   8.917  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -1.725   3.672   9.984  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -2.315   4.056  11.108  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -1.134   2.485   9.924  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.050   8.997   8.710  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.232   6.484   7.305  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.084   7.677   7.632  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.270   7.566   9.371  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -4.347   5.017   9.061  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -3.831   5.297   7.410  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -1.798   6.452   8.219  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -2.322   6.242   9.879  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -1.255   4.149   8.072  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -2.771   4.967  11.159  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46      -2.313   3.440  11.921  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -0.679   2.185   9.062  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46      -1.135   1.873  10.740  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.070   4.887   9.048  1.00  0.82           N
ATOM    641  CA  PRO C  47      -7.557   3.923  10.039  1.00  1.01           C
ATOM    642  C   PRO C  47      -6.482   3.569  11.057  1.00  1.13           C
ATOM    643  O   PRO C  47      -5.327   3.330  10.698  1.00  1.14           O
ATOM    644  CB  PRO C  47      -7.909   2.686   9.207  1.00  1.02           C
ATOM    645  CG  PRO C  47      -8.107   3.192   7.823  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.191   4.372   7.674  1.00  0.70           C
ATOM      0  HA  PRO C  47      -8.396   4.320  10.610  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -7.110   1.945   9.245  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -8.811   2.202   9.582  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -7.871   2.421   7.089  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -9.145   3.482   7.659  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.223   4.080   7.268  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -7.607   5.121   7.000  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -6.866   3.536  12.325  1.00  1.31           N
ATOM    655  CA  GLY C  48      -5.928   3.211  13.378  1.00  1.49           C
ATOM    656  C   GLY C  48      -5.686   1.723  13.470  1.00  1.61           C
ATOM    657  O   GLY C  48      -4.644   1.278  13.956  1.00  1.90           O
ATOM      0  H   GLY C  48      -7.815   3.730  12.644  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -4.983   3.723  13.195  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -6.309   3.577  14.331  1.00  1.49           H   new
ATOM    661  N   THR C  49      -6.653   0.953  13.003  1.00  1.53           N
ATOM    662  CA  THR C  49      -6.532  -0.489  12.974  1.00  1.70           C
ATOM    663  C   THR C  49      -7.098  -1.032  11.664  1.00  1.25           C
ATOM    664  O   THR C  49      -8.154  -0.592  11.200  1.00  1.89           O
ATOM    665  CB  THR C  49      -7.241  -1.137  14.187  1.00  2.25           C
ATOM    666  OG1 THR C  49      -7.078  -2.560  14.161  1.00  2.72           O
ATOM    667  CG2 THR C  49      -8.721  -0.794  14.208  1.00  2.75           C
ATOM      0  H   THR C  49      -7.536   1.308  12.637  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -5.475  -0.746  13.037  1.00  1.70           H   new
ATOM      0  HB  THR C  49      -6.780  -0.737  15.090  1.00  2.25           H   new
ATOM      0  HG1 THR C  49      -7.530  -2.955  14.935  1.00  2.72           H   new
ATOM      0 HG21 THR C  49      -9.191  -1.264  15.072  1.00  2.75           H   new
ATOM      0 HG22 THR C  49      -8.843   0.287  14.272  1.00  2.75           H   new
ATOM      0 HG23 THR C  49      -9.192  -1.159  13.295  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -6.377  -1.960  11.054  1.00  0.82           N
ATOM    676  CA  GLY C  50      -6.825  -2.542   9.808  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.578  -1.628   8.628  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.500  -1.312   7.873  1.00  0.60           O
ATOM      0  H   GLY C  50      -5.488  -2.321  11.401  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -6.310  -3.489   9.646  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -7.890  -2.765   9.876  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -5.334  -1.187   8.476  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.963  -0.336   7.356  1.00  0.41           C
ATOM    684  C   LEU C  51      -5.034  -1.142   6.061  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.381  -2.180   5.923  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.550   0.232   7.575  1.00  0.50           C
ATOM    687  CG  LEU C  51      -3.178   1.484   6.760  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.975   1.158   5.289  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -4.241   2.554   6.917  1.00  0.86           C
ATOM      0  H   LEU C  51      -4.568  -1.405   9.114  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.657   0.501   7.284  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -3.438   0.468   8.633  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.828  -0.552   7.345  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -2.233   1.860   7.151  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.714   2.067   4.748  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.170   0.430   5.185  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.895   0.743   4.878  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -3.962   3.432   6.334  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -5.198   2.171   6.561  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -4.328   2.829   7.968  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.831  -0.664   5.121  1.00  0.32           N
ATOM    702  CA  ARG C  52      -6.043  -1.367   3.868  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.584  -0.514   2.695  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.840   0.689   2.654  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.525  -1.713   3.713  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.045  -2.666   4.779  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.563  -2.696   4.798  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.121  -1.409   5.204  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.294  -0.936   4.793  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -12.066  -1.653   3.984  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -11.698   0.258   5.202  1.00  2.65           N
ATOM      0  H   ARG C  52      -6.345   0.213   5.203  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.458  -2.286   3.879  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -8.109  -0.793   3.744  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.684  -2.158   2.731  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.661  -3.669   4.592  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -7.673  -2.360   5.757  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.935  -2.958   3.807  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.904  -3.473   5.482  1.00  0.79           H   new
ATOM      0  HE  ARG C  52      -9.575  -0.834   5.846  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.761  -2.575   3.673  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -12.964  -1.281   3.674  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -11.110   0.808   5.828  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -12.597   0.627   4.891  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.889  -1.139   1.755  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.448  -0.450   0.554  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.637  -0.212  -0.377  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.707  -0.778  -0.158  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.370  -1.262  -0.166  1.00  0.47           C
ATOM    730  SG  CYS C  53      -4.002  -2.691  -1.068  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.619  -2.122   1.802  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -4.022   0.511   0.841  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -2.844  -0.610  -0.863  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.638  -1.603   0.566  1.00  0.47           H   new
ATOM      0  HG  CYS C  53      -3.318  -3.747  -0.742  1.00  0.49           H   new
ATOM    735  N   ARG C  54      -5.423   0.582  -1.425  1.00  0.58           N
ATOM    736  CA  ARG C  54      -6.493   0.991  -2.342  1.00  0.68           C
ATOM    737  C   ARG C  54      -7.322  -0.202  -2.820  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.552  -0.175  -2.755  1.00  0.68           O
ATOM    739  CB  ARG C  54      -5.891   1.744  -3.539  1.00  0.87           C
ATOM    740  CG  ARG C  54      -6.838   1.928  -4.714  1.00  1.28           C
ATOM    741  CD  ARG C  54      -6.208   2.777  -5.810  1.00  1.82           C
ATOM    742  NE  ARG C  54      -6.011   4.164  -5.381  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -5.189   5.030  -5.974  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -4.463   4.663  -7.022  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -5.105   6.275  -5.521  1.00  4.09           N
ATOM      0  H   ARG C  54      -4.507   0.961  -1.664  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -7.167   1.653  -1.799  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -5.556   2.725  -3.203  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -5.007   1.206  -3.883  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -7.111   0.953  -5.119  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -7.759   2.400  -4.370  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -5.249   2.346  -6.097  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -6.844   2.758  -6.695  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -6.540   4.490  -4.572  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -4.531   3.711  -7.381  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -3.837   5.333  -7.469  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -5.668   6.566  -4.722  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -4.477   6.941  -5.972  1.00  4.09           H   new
ATOM    759  N   SER C  55      -6.647  -1.252  -3.268  1.00  0.62           N
ATOM    760  CA  SER C  55      -7.324  -2.432  -3.785  1.00  0.65           C
ATOM    761  C   SER C  55      -8.156  -3.123  -2.698  1.00  0.60           C
ATOM    762  O   SER C  55      -9.317  -3.465  -2.923  1.00  0.68           O
ATOM    763  CB  SER C  55      -6.298  -3.401  -4.372  1.00  0.72           C
ATOM    764  OG  SER C  55      -5.474  -2.747  -5.323  1.00  1.54           O
ATOM      0  H   SER C  55      -5.629  -1.310  -3.283  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -8.010  -2.116  -4.571  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -5.682  -3.813  -3.573  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -6.811  -4.239  -4.844  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -4.823  -3.384  -5.685  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.572  -3.298  -1.516  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.255  -3.994  -0.427  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.386  -3.148   0.166  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.398  -3.685   0.617  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.271  -4.388   0.678  1.00  0.50           C
ATOM    775  SG  CYS C  56      -6.020  -5.594   0.176  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.634  -2.970  -1.287  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.690  -4.898  -0.853  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.768  -3.490   1.036  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.833  -4.795   1.519  1.00  0.50           H   new
ATOM      0  HG  CYS C  56      -4.911  -5.360   0.813  1.00  0.65           H   new
ATOM    780  N   SER C  57      -9.217  -1.830   0.168  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.217  -0.943   0.753  1.00  0.74           C
ATOM    782  C   SER C  57     -11.377  -0.697  -0.211  1.00  0.89           C
ATOM    783  O   SER C  57     -12.437  -0.212   0.188  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.571   0.385   1.155  1.00  0.78           C
ATOM    785  OG  SER C  57      -8.909   0.989   0.055  1.00  1.25           O
ATOM      0  H   SER C  57      -8.404  -1.355  -0.225  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.620  -1.429   1.642  1.00  0.74           H   new
ATOM      0  HB2 SER C  57     -10.334   1.062   1.539  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -8.859   0.216   1.963  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -8.049   0.543  -0.095  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.181  -1.051  -1.470  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.210  -0.847  -2.465  1.00  1.06           C
ATOM    793  C   GLY C  58     -12.976  -2.118  -2.757  1.00  1.50           C
ATOM    794  O   GLY C  58     -12.820  -3.120  -2.054  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.324  -1.478  -1.822  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -12.901  -0.078  -2.119  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -11.757  -0.478  -3.385  1.00  1.06           H   new