USER  MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=15
USER  MOD reduce.3.24.130724 removed 303 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: C  15 CYS SG  :   rot -166:sc=    1.18
USER  MOD Set 1.2: C  18 CYS SG  :   rot  -67:sc=   0.677
USER  MOD Set 1.3: C  35 HIS     :     no HD1:sc=    1.32  K(o=2.5,f=-2.6!)
USER  MOD Set 1.4: C  38 CYS SG  :   rot  123:sc=  -0.669
USER  MOD Set 2.1: C  27 CYS SG  :   rot  150:sc=    1.98
USER  MOD Set 2.2: C  30 CYS SG  :   rot  -52:sc=   0.798
USER  MOD Set 2.3: C  53 CYS SG  :   rot -133:sc=    1.03
USER  MOD Set 2.4: C  56 CYS SG  :   rot   83:sc= -0.0595
USER  MOD Set 3.1: C  28 THR OG1 :   rot  140:sc=0.000309
USER  MOD Set 3.2: C  29 HIS     :     no HD1:sc=-0.00848  X(o=-0.0082,f=0.046)
USER  MOD Single : C  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  39 HIS     :     no HE2:sc=   -1.14  K(o=-1.1,f=-2.2!)
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= 0.00712
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot  -27:sc=   0.154
USER  MOD -----------------------------------------------------------------
ATOM    167  N   ARG C  14       9.702   0.581  -0.039  1.00  1.06           N
ATOM    168  CA  ARG C  14       9.567   1.908  -0.621  1.00  0.77           C
ATOM    169  C   ARG C  14       8.201   2.084  -1.275  1.00  0.65           C
ATOM    170  O   ARG C  14       7.667   1.164  -1.895  1.00  0.73           O
ATOM    171  CB  ARG C  14      10.675   2.181  -1.644  1.00  0.75           C
ATOM    172  CG  ARG C  14      12.068   2.226  -1.039  1.00  1.01           C
ATOM    173  CD  ARG C  14      13.095   2.772  -2.018  1.00  1.12           C
ATOM    174  NE  ARG C  14      13.163   1.993  -3.255  1.00  1.74           N
ATOM    175  CZ  ARG C  14      14.201   1.230  -3.601  1.00  2.20           C
ATOM    176  NH1 ARG C  14      15.221   1.061  -2.766  1.00  2.19           N
ATOM    177  NH2 ARG C  14      14.211   0.627  -4.783  1.00  3.18           N
ATOM      0  HA  ARG C  14       9.660   2.629   0.191  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14      10.647   1.408  -2.412  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14      10.473   3.130  -2.140  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14      12.055   2.847  -0.143  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      12.361   1.223  -0.727  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      12.849   3.807  -2.258  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      14.076   2.779  -1.543  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      12.368   2.036  -3.892  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      15.214   1.516  -1.853  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      16.011   0.476  -3.038  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      13.427   0.748  -5.424  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      15.003   0.043  -5.051  1.00  3.18           H   new
ATOM    191  N   CYS C  15       7.648   3.278  -1.122  1.00  0.53           N
ATOM    192  CA  CYS C  15       6.361   3.626  -1.699  1.00  0.46           C
ATOM    193  C   CYS C  15       6.559   4.154  -3.118  1.00  0.42           C
ATOM    194  O   CYS C  15       6.986   5.293  -3.315  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.699   4.670  -0.791  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.316   5.600  -1.495  1.00  0.48           S
ATOM      0  H   CYS C  15       8.082   4.034  -0.592  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       5.713   2.752  -1.765  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.346   4.164   0.108  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.463   5.382  -0.478  1.00  0.46           H   new
ATOM      0  HG  CYS C  15       4.058   6.629  -0.744  1.00  0.48           H   new
ATOM    201  N   GLY C  16       6.226   3.320  -4.099  1.00  0.56           N
ATOM    202  CA  GLY C  16       6.508   3.632  -5.492  1.00  0.65           C
ATOM    203  C   GLY C  16       5.694   4.789  -6.038  1.00  0.54           C
ATOM    204  O   GLY C  16       6.041   5.361  -7.071  1.00  0.61           O
ATOM      0  H   GLY C  16       5.761   2.424  -3.953  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       7.568   3.865  -5.595  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       6.316   2.747  -6.099  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.619   5.144  -5.346  1.00  0.52           N
ATOM    209  CA  VAL C  17       3.754   6.232  -5.786  1.00  0.65           C
ATOM    210  C   VAL C  17       4.502   7.565  -5.764  1.00  0.66           C
ATOM    211  O   VAL C  17       4.229   8.460  -6.562  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.489   6.337  -4.910  1.00  0.78           C
ATOM    213  CG1 VAL C  17       1.516   7.358  -5.481  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.822   4.978  -4.775  1.00  0.94           C
ATOM      0  H   VAL C  17       4.325   4.695  -4.479  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.451   6.008  -6.809  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       2.789   6.675  -3.918  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       0.632   7.413  -4.845  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       1.996   8.336  -5.521  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       1.221   7.057  -6.486  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.931   5.070  -4.154  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.540   4.611  -5.762  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.516   4.276  -4.312  1.00  0.94           H   new
ATOM    224  N   CYS C  18       5.462   7.686  -4.858  1.00  0.55           N
ATOM    225  CA  CYS C  18       6.266   8.894  -4.772  1.00  0.70           C
ATOM    226  C   CYS C  18       7.738   8.572  -5.019  1.00  0.68           C
ATOM    227  O   CYS C  18       8.427   9.291  -5.744  1.00  0.84           O
ATOM    228  CB  CYS C  18       6.084   9.562  -3.406  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.557   8.518  -2.008  1.00  0.82           S
ATOM      0  H   CYS C  18       5.701   6.966  -4.176  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       5.931   9.589  -5.542  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       6.675  10.477  -3.379  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       5.040   9.853  -3.292  1.00  0.82           H   new
ATOM      0  HG  CYS C  18       5.734   7.516  -1.917  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.203   7.475  -4.432  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.592   7.086  -4.568  1.00  0.67           C
ATOM    236  C   GLY C  19      10.286   6.999  -3.225  1.00  0.68           C
ATOM    237  O   GLY C  19      11.394   6.474  -3.118  1.00  0.77           O
ATOM      0  H   GLY C  19       7.638   6.846  -3.862  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.652   6.121  -5.071  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.111   7.807  -5.199  1.00  0.67           H   new
ATOM    241  N   ASP C  20       9.623   7.504  -2.193  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.195   7.532  -0.854  1.00  0.70           C
ATOM    243  C   ASP C  20       9.877   6.260  -0.089  1.00  0.52           C
ATOM    244  O   ASP C  20       8.779   5.709  -0.197  1.00  0.44           O
ATOM    245  CB  ASP C  20       9.682   8.740  -0.065  1.00  0.80           C
ATOM    246  CG  ASP C  20      10.284  10.046  -0.530  1.00  1.30           C
ATOM    247  OD1 ASP C  20      11.413  10.372  -0.109  1.00  1.40           O
ATOM    248  OD2 ASP C  20       9.631  10.754  -1.327  1.00  2.10           O
ATOM      0  H   ASP C  20       8.686   7.901  -2.258  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.276   7.611  -0.969  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20       8.597   8.793  -0.157  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20       9.906   8.599   0.992  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.847   5.801   0.684  1.00  0.55           N
ATOM    254  CA  GLY C  21      10.644   4.649   1.534  1.00  0.51           C
ATOM    255  C   GLY C  21      10.640   5.038   2.991  1.00  0.45           C
ATOM    256  O   GLY C  21      10.800   4.196   3.875  1.00  0.51           O
ATOM      0  H   GLY C  21      11.780   6.210   0.738  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       9.699   4.169   1.281  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      11.431   3.917   1.353  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.467   6.326   3.235  1.00  0.44           N
ATOM    261  CA  THR C  22      10.426   6.850   4.585  1.00  0.46           C
ATOM    262  C   THR C  22       9.084   6.534   5.235  1.00  0.39           C
ATOM    263  O   THR C  22       8.044   7.011   4.776  1.00  0.41           O
ATOM    264  CB  THR C  22      10.641   8.375   4.578  1.00  0.60           C
ATOM    265  OG1 THR C  22      11.766   8.703   3.748  1.00  1.06           O
ATOM    266  CG2 THR C  22      10.880   8.900   5.987  1.00  0.90           C
ATOM      0  H   THR C  22      10.352   7.031   2.507  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.225   6.378   5.157  1.00  0.46           H   new
ATOM      0  HB  THR C  22       9.740   8.844   4.182  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      11.898   9.674   3.745  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      11.029   9.979   5.953  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      10.016   8.672   6.612  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      11.767   8.425   6.407  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.127   5.719   6.291  1.00  0.41           N
ATOM    275  CA  ASP C  23       7.934   5.331   7.052  1.00  0.45           C
ATOM    276  C   ASP C  23       6.780   4.931   6.142  1.00  0.38           C
ATOM    277  O   ASP C  23       5.783   5.645   6.031  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.493   6.452   7.997  1.00  0.59           C
ATOM    279  CG  ASP C  23       8.417   6.606   9.185  1.00  1.39           C
ATOM    280  OD1 ASP C  23       8.351   5.766  10.107  1.00  1.75           O
ATOM    281  OD2 ASP C  23       9.213   7.564   9.205  1.00  2.23           O
ATOM      0  H   ASP C  23       9.991   5.308   6.644  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       8.210   4.459   7.645  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       7.454   7.392   7.447  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       6.482   6.248   8.351  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.913   3.784   5.499  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.863   3.286   4.625  1.00  0.31           C
ATOM    288  C   VAL C  24       4.868   2.452   5.414  1.00  0.32           C
ATOM    289  O   VAL C  24       5.231   1.776   6.378  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.425   2.436   3.467  1.00  0.36           C
ATOM    291  CG1 VAL C  24       7.169   3.304   2.467  1.00  1.14           C
ATOM    292  CG2 VAL C  24       7.338   1.341   3.995  1.00  1.16           C
ATOM      0  H   VAL C  24       7.734   3.182   5.564  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.366   4.158   4.199  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       5.582   1.969   2.957  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.555   2.681   1.661  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       6.489   4.049   2.055  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       7.998   3.806   2.966  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       7.723   0.754   3.161  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       8.170   1.791   4.536  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       6.777   0.692   4.667  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.616   2.514   5.011  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.560   1.781   5.677  1.00  0.30           C
ATOM    304  C   LEU C  25       2.335   0.450   4.977  1.00  0.30           C
ATOM    305  O   LEU C  25       2.542   0.333   3.767  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.271   2.606   5.686  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.388   3.987   6.340  1.00  0.37           C
ATOM    308  CD1 LEU C  25       0.084   4.754   6.206  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.778   3.859   7.804  1.00  0.48           C
ATOM      0  H   LEU C  25       3.303   3.071   4.216  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.854   1.589   6.709  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       0.934   2.735   4.658  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.499   2.039   6.206  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       2.171   4.541   5.823  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25       0.187   5.732   6.676  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.156   4.883   5.150  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.717   4.199   6.695  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.855   4.851   8.248  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       1.019   3.283   8.334  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.739   3.351   7.881  1.00  0.48           H   new
ATOM    321  N   ARG C  26       1.937  -0.549   5.744  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.692  -1.877   5.206  1.00  0.33           C
ATOM    323  C   ARG C  26       0.200  -2.167   5.193  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.534  -1.723   6.079  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.413  -2.931   6.050  1.00  0.42           C
ATOM    326  CG  ARG C  26       3.930  -2.867   5.966  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.430  -3.190   4.567  1.00  0.95           C
ATOM    328  NE  ARG C  26       5.885  -3.301   4.523  1.00  1.64           N
ATOM    329  CZ  ARG C  26       6.573  -3.758   3.479  1.00  2.21           C
ATOM    330  NH1 ARG C  26       5.947  -4.102   2.357  1.00  2.24           N
ATOM    331  NH2 ARG C  26       7.892  -3.870   3.558  1.00  3.18           N
ATOM      0  H   ARG C  26       1.775  -0.466   6.748  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.074  -1.915   4.186  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.113  -2.814   7.091  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.084  -3.921   5.733  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.269  -1.871   6.253  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.364  -3.569   6.678  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       3.984  -4.125   4.229  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       4.104  -2.413   3.876  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       6.410  -3.009   5.347  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       4.933  -4.016   2.292  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       6.481  -4.451   1.561  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       8.376  -3.606   4.416  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       8.423  -4.220   2.760  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.248  -2.903   4.188  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.642  -3.295   4.109  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.901  -4.415   5.113  1.00  0.24           C
ATOM    348  O   CYS C  27      -1.099  -5.338   5.243  1.00  0.30           O
ATOM    349  CB  CYS C  27      -2.003  -3.744   2.683  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.784  -3.753   2.355  1.00  0.37           S
ATOM      0  H   CYS C  27       0.333  -3.239   3.420  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.272  -2.440   4.352  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.514  -3.083   1.968  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.606  -4.745   2.515  1.00  0.29           H   new
ATOM      0  HG  CYS C  27      -3.995  -3.508   1.096  1.00  0.37           H   new
ATOM    355  N   THR C  28      -2.999  -4.321   5.847  1.00  0.25           N
ATOM    356  CA  THR C  28      -3.328  -5.335   6.840  1.00  0.31           C
ATOM    357  C   THR C  28      -4.093  -6.494   6.216  1.00  0.33           C
ATOM    358  O   THR C  28      -4.348  -7.506   6.866  1.00  0.44           O
ATOM    359  CB  THR C  28      -4.157  -4.741   7.991  1.00  0.39           C
ATOM    360  OG1 THR C  28      -5.299  -4.050   7.465  1.00  0.75           O
ATOM    361  CG2 THR C  28      -3.316  -3.791   8.829  1.00  0.72           C
ATOM      0  H   THR C  28      -3.674  -3.559   5.776  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -2.383  -5.707   7.237  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -4.493  -5.557   8.630  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -6.078  -4.228   8.032  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.924  -3.383   9.637  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -2.468  -4.331   9.250  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.953  -2.977   8.202  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.465  -6.343   4.951  1.00  0.31           N
ATOM    370  CA  HIS C  29      -5.218  -7.381   4.259  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.373  -8.047   3.181  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.683  -9.150   2.733  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.500  -6.806   3.649  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.532  -6.425   4.667  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.615  -7.217   4.977  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.645  -5.321   5.445  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -9.349  -6.618   5.897  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.779  -5.466   6.199  1.00  1.43           N
ATOM      0  H   HIS C  29      -4.259  -5.518   4.387  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.491  -8.138   4.994  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -6.247  -5.928   3.054  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.929  -7.540   2.967  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -6.966  -4.482   5.466  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29     -10.260  -7.005   6.329  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -9.127  -4.794   6.883  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -3.310  -7.375   2.756  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.400  -7.942   1.771  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.998  -7.367   1.973  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.751  -6.658   2.943  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.906  -7.678   0.347  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.520  -6.039  -0.298  1.00  0.79           S
ATOM      0  H   CYS C  30      -3.058  -6.440   3.077  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.357  -9.022   1.909  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.478  -8.426  -0.320  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.987  -7.815   0.329  1.00  0.42           H   new
ATOM      0  HG  CYS C  30      -2.918  -5.135   0.547  1.00  0.79           H   new
ATOM    397  N   ALA C  31      -0.092  -7.663   1.054  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.299  -7.243   1.178  1.00  0.37           C
ATOM    399  C   ALA C  31       1.616  -6.082   0.239  1.00  0.36           C
ATOM    400  O   ALA C  31       1.567  -6.239  -0.983  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.227  -8.414   0.901  1.00  0.47           C
ATOM      0  H   ALA C  31      -0.295  -8.196   0.208  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.456  -6.898   2.200  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.263  -8.088   0.997  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.030  -9.212   1.617  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.055  -8.783  -0.110  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.948  -4.925   0.806  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.289  -3.745   0.014  1.00  0.35           C
ATOM    409  C   ALA C  32       2.937  -2.669   0.881  1.00  0.33           C
ATOM    410  O   ALA C  32       2.553  -2.484   2.036  1.00  0.40           O
ATOM    411  CB  ALA C  32       1.049  -3.184  -0.672  1.00  0.37           C
ATOM      0  H   ALA C  32       1.988  -4.779   1.815  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       3.007  -4.051  -0.747  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       1.323  -2.306  -1.257  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.624  -3.941  -1.331  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.312  -2.903   0.081  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.932  -1.981   0.328  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.554  -0.841   0.996  1.00  0.38           C
ATOM    419  C   ALA C  33       4.148   0.450   0.298  1.00  0.37           C
ATOM    420  O   ALA C  33       4.438   0.642  -0.884  1.00  0.42           O
ATOM    421  CB  ALA C  33       6.070  -0.977   1.003  1.00  0.45           C
ATOM      0  H   ALA C  33       4.327  -2.195  -0.588  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       4.210  -0.816   2.030  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.510  -0.116   1.506  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       6.351  -1.888   1.531  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.436  -1.024  -0.023  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.468   1.327   1.022  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.942   2.546   0.427  1.00  0.36           C
ATOM    429  C   PHE C  34       2.605   3.577   1.493  1.00  0.32           C
ATOM    430  O   PHE C  34       2.502   3.255   2.671  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.685   2.218  -0.387  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.571   1.616   0.429  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.575   0.268   0.746  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.479   2.401   0.881  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.447  -0.286   1.491  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.502   1.852   1.627  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.482   0.504   1.935  1.00  0.61           C
ATOM      0  H   PHE C  34       3.269   1.218   2.016  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.708   2.967  -0.225  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.323   3.130  -0.862  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.952   1.527  -1.186  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       1.387  -0.358   0.406  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.496   3.455   0.646  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -0.434  -1.340   1.725  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.316   2.474   1.969  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.278   0.072   2.523  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.448   4.821   1.070  1.00  0.32           N
ATOM    448  CA  HIS C  35       1.960   5.869   1.953  1.00  0.32           C
ATOM    449  C   HIS C  35       0.467   6.041   1.752  1.00  0.33           C
ATOM    450  O   HIS C  35      -0.023   5.986   0.619  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.646   7.208   1.670  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.119   7.223   1.916  1.00  0.32           C
ATOM    453  ND1 HIS C  35       4.967   7.883   1.065  1.00  0.42           N
ATOM    454  CD2 HIS C  35       4.838   6.683   2.930  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.179   7.735   1.573  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.151   7.014   2.708  1.00  0.42           N
ATOM      0  H   HIS C  35       2.652   5.130   0.120  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.183   5.572   2.978  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.463   7.481   0.631  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.181   7.976   2.288  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.451   6.103   3.755  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.077   8.142   1.132  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       6.950   6.762   3.290  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.247   6.258   2.845  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.669   6.553   2.785  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.888   7.851   2.019  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.764   7.933   1.167  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.250   6.655   4.200  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.684   7.092   4.247  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.147   8.340   4.547  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.841   6.287   3.990  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.518   8.359   4.504  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.969   7.114   4.157  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -5.033   4.950   3.636  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -7.269   6.646   3.983  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -6.325   4.487   3.462  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -7.427   5.334   3.636  1.00  0.68           C
ATOM      0  H   TRP C  36       0.138   6.235   3.789  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -2.183   5.745   2.264  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -2.162   5.684   4.687  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.649   7.357   4.777  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.524   9.190   4.784  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.106   9.169   4.699  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -4.189   4.290   3.501  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -8.121   7.296   4.117  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -6.487   3.455   3.187  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -8.423   4.942   3.493  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.041   8.839   2.295  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.129  10.152   1.650  1.00  0.44           C
ATOM    490  C   ARG C  37      -0.895  10.061   0.141  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.309  10.939  -0.616  1.00  0.51           O
ATOM    492  CB  ARG C  37      -0.101  11.108   2.259  1.00  0.61           C
ATOM    493  CG  ARG C  37      -0.291  11.364   3.744  1.00  0.70           C
ATOM    494  CD  ARG C  37       0.855  12.190   4.312  1.00  1.05           C
ATOM    495  NE  ARG C  37       0.940  13.514   3.694  1.00  1.72           N
ATOM    496  CZ  ARG C  37       2.016  13.982   3.056  1.00  2.32           C
ATOM    497  NH1 ARG C  37       3.104  13.230   2.921  1.00  2.37           N
ATOM    498  NH2 ARG C  37       1.997  15.206   2.546  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.278   8.756   2.967  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.138  10.529   1.819  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.897  10.701   2.097  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -0.148  12.059   1.729  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -1.234  11.885   3.908  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.355  10.414   4.274  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       0.722  12.301   5.388  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37       1.794  11.659   4.160  1.00  1.05           H   new
ATOM      0  HE  ARG C  37       0.122  14.120   3.755  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       3.122  12.286   3.306  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       3.920  13.597   2.432  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37       1.163  15.786   2.642  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       2.816  15.568   2.058  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.217   9.006  -0.288  1.00  0.37           N
ATOM    513  CA  CYS C  38       0.087   8.818  -1.700  1.00  0.36           C
ATOM    514  C   CYS C  38      -1.046   8.093  -2.419  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.177   8.181  -3.639  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.411   8.068  -1.868  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.853   9.086  -1.487  1.00  0.54           S
ATOM      0  H   CYS C  38       0.133   8.267   0.321  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.189   9.802  -2.157  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.410   7.192  -1.220  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.489   7.706  -2.893  1.00  0.34           H   new
ATOM      0  HG  CYS C  38       3.549   8.518  -0.548  1.00  0.54           H   new
ATOM    522  N   HIS C  39      -1.862   7.373  -1.664  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.980   6.640  -2.247  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.281   7.412  -2.076  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.123   7.437  -2.973  1.00  0.61           O
ATOM    526  CB  HIS C  39      -3.108   5.253  -1.614  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.090   4.274  -2.108  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.422   3.044  -2.629  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.738   4.345  -2.153  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.321   2.402  -2.971  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.287   3.168  -2.695  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.774   7.280  -0.652  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.782   6.521  -3.312  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -3.015   5.346  -0.532  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -4.105   4.861  -1.816  1.00  0.43           H   new
ATOM      0  HD1 HIS C  39      -3.371   2.685  -2.734  1.00  0.55           H   new
ATOM      0  HD2 HIS C  39      -0.129   5.174  -1.824  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -1.276   1.414  -3.405  1.00  0.59           H   new
ATOM    540  N   PHE C  40      -4.434   8.041  -0.924  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.631   8.799  -0.611  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.239  10.155  -0.039  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.181  10.291   0.572  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.498   8.031   0.395  1.00  0.51           C
ATOM    545  CG  PHE C  40      -7.025   6.722  -0.130  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -8.201   6.674  -0.864  1.00  0.71           C
ATOM    547  CD2 PHE C  40      -6.342   5.540   0.110  1.00  0.55           C
ATOM    548  CE1 PHE C  40      -8.685   5.474  -1.347  1.00  0.80           C
ATOM    549  CE2 PHE C  40      -6.822   4.336  -0.372  1.00  0.66           C
ATOM    550  CZ  PHE C  40      -8.002   4.306  -1.100  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.734   8.040  -0.182  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.209   8.947  -1.523  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.912   7.841   1.295  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.339   8.659   0.689  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -8.745   7.586  -1.060  1.00  0.71           H   new
ATOM      0  HD2 PHE C  40      -5.425   5.560   0.680  1.00  0.55           H   new
ATOM      0  HE1 PHE C  40      -9.601   5.453  -1.919  1.00  0.80           H   new
ATOM      0  HE2 PHE C  40      -6.279   3.422  -0.182  1.00  0.66           H   new
ATOM      0  HZ  PHE C  40      -8.384   3.367  -1.472  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.066  11.188  -0.254  1.00  0.89           N
ATOM    561  CA  PRO C  41      -5.806  12.519   0.285  1.00  1.04           C
ATOM    562  C   PRO C  41      -5.873  12.528   1.806  1.00  1.30           C
ATOM    563  O   PRO C  41      -6.741  11.888   2.405  1.00  1.93           O
ATOM    564  CB  PRO C  41      -6.922  13.388  -0.310  1.00  1.81           C
ATOM    565  CG  PRO C  41      -7.490  12.584  -1.427  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.310  11.151  -1.030  1.00  1.43           C
ATOM      0  HA  PRO C  41      -4.808  12.876   0.031  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -7.683  13.617   0.436  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -6.531  14.340  -0.669  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -8.543  12.818  -1.581  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -6.976  12.798  -2.364  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -8.148  10.787  -0.436  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -7.227  10.497  -1.898  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -4.959  13.271   2.416  1.00  1.64           N
ATOM    575  CA  ALA C  42      -4.823  13.317   3.870  1.00  2.34           C
ATOM    576  C   ALA C  42      -6.052  13.928   4.539  1.00  1.92           C
ATOM    577  O   ALA C  42      -6.173  13.913   5.765  1.00  2.41           O
ATOM    578  CB  ALA C  42      -3.571  14.087   4.256  1.00  3.30           C
ATOM      0  H   ALA C  42      -4.290  13.859   1.919  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -4.736  12.290   4.225  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -3.481  14.114   5.342  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -2.696  13.595   3.831  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -3.637  15.105   3.872  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -6.951  14.480   3.730  1.00  1.37           N
ATOM    585  CA  GLY C  43      -8.225  14.942   4.241  1.00  1.46           C
ATOM    586  C   GLY C  43      -9.052  13.781   4.751  1.00  1.21           C
ATOM    587  O   GLY C  43      -9.891  13.936   5.639  1.00  1.41           O
ATOM      0  H   GLY C  43      -6.818  14.615   2.728  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -8.061  15.659   5.046  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43      -8.770  15.465   3.455  1.00  1.46           H   new
ATOM    591  N   THR C  44      -8.797  12.611   4.186  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.419  11.386   4.641  1.00  0.76           C
ATOM    593  C   THR C  44      -8.582  10.784   5.766  1.00  0.65           C
ATOM    594  O   THR C  44      -7.362  10.654   5.641  1.00  0.73           O
ATOM    595  CB  THR C  44      -9.548  10.371   3.488  1.00  0.83           C
ATOM    596  OG1 THR C  44     -10.202  10.989   2.371  1.00  1.03           O
ATOM    597  CG2 THR C  44     -10.335   9.141   3.920  1.00  0.99           C
ATOM      0  H   THR C  44      -8.155  12.488   3.403  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.420  11.617   5.005  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -8.545  10.053   3.203  1.00  0.83           H   new
ATOM      0  HG1 THR C  44     -10.281  10.342   1.639  1.00  1.03           H   new
ATOM      0 HG21 THR C  44     -10.409   8.444   3.085  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.825   8.657   4.753  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -11.336   9.440   4.232  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.232  10.414   6.854  1.00  0.67           N
ATOM    606  CA  SER C  45      -8.526   9.909   8.014  1.00  0.69           C
ATOM    607  C   SER C  45      -8.320   8.405   7.904  1.00  0.61           C
ATOM    608  O   SER C  45      -9.280   7.629   7.882  1.00  0.66           O
ATOM    609  CB  SER C  45      -9.293  10.262   9.289  1.00  0.91           C
ATOM    610  OG  SER C  45      -9.464  11.668   9.396  1.00  1.60           O
ATOM      0  H   SER C  45     -10.246  10.454   6.957  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -7.544  10.379   8.059  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -10.266   9.771   9.282  1.00  0.91           H   new
ATOM      0  HB3 SER C  45      -8.754   9.888  10.160  1.00  0.91           H   new
ATOM      0  HG  SER C  45      -9.958  11.876  10.216  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -7.053   8.017   7.814  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.668   6.621   7.672  1.00  0.70           C
ATOM    618  C   ARG C  46      -7.198   5.781   8.834  1.00  0.82           C
ATOM    619  O   ARG C  46      -7.139   6.197   9.992  1.00  0.97           O
ATOM    620  CB  ARG C  46      -5.142   6.510   7.571  1.00  0.86           C
ATOM    621  CG  ARG C  46      -4.391   7.003   8.799  1.00  1.10           C
ATOM    622  CD  ARG C  46      -2.888   6.991   8.572  1.00  1.09           C
ATOM    623  NE  ARG C  46      -2.147   7.431   9.753  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -0.817   7.487   9.823  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -0.078   7.206   8.758  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -0.227   7.852  10.953  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.264   8.663   7.838  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -7.112   6.231   6.756  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.877   5.468   7.393  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.806   7.077   6.703  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -4.715   8.014   9.044  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -4.636   6.374   9.654  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -2.571   5.984   8.301  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -2.644   7.639   7.730  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -2.681   7.713  10.575  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -0.527   6.946   7.880  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       0.939   7.250   8.817  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -0.791   8.090  11.769  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46       0.791   7.895  11.006  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.740   4.595   8.526  1.00  0.82           N
ATOM    641  CA  PRO C  47      -8.365   3.721   9.523  1.00  1.01           C
ATOM    642  C   PRO C  47      -7.359   3.125  10.504  1.00  1.13           C
ATOM    643  O   PRO C  47      -6.290   2.646  10.110  1.00  1.14           O
ATOM    644  CB  PRO C  47      -9.007   2.616   8.679  1.00  1.02           C
ATOM    645  CG  PRO C  47      -8.220   2.594   7.417  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.793   4.012   7.172  1.00  0.70           C
ATOM      0  HA  PRO C  47      -9.072   4.268  10.147  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -8.964   1.654   9.189  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47     -10.059   2.827   8.485  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -7.356   1.936   7.507  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.821   2.219   6.589  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.823   4.059   6.677  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -8.502   4.540   6.535  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -7.713   3.149  11.784  1.00  1.31           N
ATOM    655  CA  GLY C  48      -6.852   2.595  12.807  1.00  1.49           C
ATOM    656  C   GLY C  48      -7.093   1.114  13.001  1.00  1.61           C
ATOM    657  O   GLY C  48      -6.318   0.429  13.667  1.00  1.90           O
ATOM      0  H   GLY C  48      -8.587   3.545  12.131  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -5.810   2.761  12.534  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -7.023   3.118  13.748  1.00  1.49           H   new
ATOM    661  N   THR C  49      -8.162   0.617  12.397  1.00  1.53           N
ATOM    662  CA  THR C  49      -8.522  -0.788  12.499  1.00  1.70           C
ATOM    663  C   THR C  49      -7.860  -1.605  11.394  1.00  1.25           C
ATOM    664  O   THR C  49      -8.210  -2.764  11.162  1.00  1.89           O
ATOM    665  CB  THR C  49     -10.050  -0.969  12.425  1.00  2.25           C
ATOM    666  OG1 THR C  49     -10.570  -0.274  11.281  1.00  2.72           O
ATOM    667  CG2 THR C  49     -10.719  -0.449  13.686  1.00  2.75           C
ATOM      0  H   THR C  49      -8.800   1.172  11.826  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -8.166  -1.147  13.465  1.00  1.70           H   new
ATOM      0  HB  THR C  49     -10.264  -2.034  12.333  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -11.542  -0.395  11.239  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -11.797  -0.588  13.610  1.00  2.75           H   new
ATOM      0 HG22 THR C  49     -10.343  -0.997  14.550  1.00  2.75           H   new
ATOM      0 HG23 THR C  49     -10.497   0.612  13.805  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -6.908  -0.990  10.709  1.00  0.82           N
ATOM    676  CA  GLY C  50      -6.188  -1.679   9.661  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.015  -0.830   8.424  1.00  0.57           C
ATOM    678  O   GLY C  50      -6.997  -0.458   7.780  1.00  0.60           O
ATOM      0  H   GLY C  50      -6.621  -0.023  10.861  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -5.208  -1.977  10.033  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -6.721  -2.593   9.399  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -4.769  -0.524   8.099  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.450   0.272   6.926  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.705  -0.555   5.668  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.195  -1.670   5.525  1.00  0.33           O
ATOM    686  CB  LEU C  51      -2.988   0.733   6.992  1.00  0.50           C
ATOM    687  CG  LEU C  51      -2.665   2.084   6.333  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.891   2.036   4.831  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -3.490   3.197   6.960  1.00  0.86           C
ATOM      0  H   LEU C  51      -3.955  -0.819   8.638  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.085   1.157   6.896  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -2.694   0.786   8.040  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.368  -0.032   6.525  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -1.609   2.293   6.506  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.653   3.007   4.396  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.248   1.274   4.390  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.934   1.793   4.628  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -3.247   4.145   6.480  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -4.550   2.984   6.826  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.265   3.261   8.025  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.504  -0.009   4.767  1.00  0.32           N
ATOM    702  CA  ARG C  52      -5.905  -0.728   3.572  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.360  -0.056   2.321  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.461   1.158   2.162  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.431  -0.798   3.493  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.069  -1.573   4.632  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.587  -1.519   4.567  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.099  -0.159   4.732  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.366   0.131   5.026  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -12.262  -0.838   5.156  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -11.740   1.395   5.175  1.00  2.65           N
ATOM      0  H   ARG C  52      -5.888   0.933   4.842  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.495  -1.736   3.629  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -7.832   0.216   3.486  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.716  -1.260   2.548  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.740  -2.611   4.595  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -7.731  -1.165   5.584  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.922  -1.918   3.610  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52     -10.005  -2.160   5.343  1.00  0.79           H   new
ATOM      0  HE  ARG C  52      -9.446   0.616   4.615  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.983  -1.811   5.031  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -13.230  -0.610   5.381  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -11.058   2.145   5.065  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -12.710   1.617   5.400  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.764  -0.856   1.443  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.353  -0.372   0.134  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.597  -0.184  -0.731  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.687  -0.574  -0.315  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.391  -1.360  -0.521  1.00  0.47           C
ATOM    730  SG  CYS C  53      -4.206  -2.796  -1.243  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.556  -1.840   1.615  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -3.834   0.580   0.241  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -2.828  -0.844  -1.299  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.670  -1.699   0.223  1.00  0.47           H   new
ATOM      0  HG  CYS C  53      -3.580  -3.877  -0.883  1.00  0.49           H   new
ATOM    735  N   ARG C  54      -5.445   0.356  -1.938  1.00  0.58           N
ATOM    736  CA  ARG C  54      -6.607   0.779  -2.722  1.00  0.68           C
ATOM    737  C   ARG C  54      -7.586  -0.372  -2.985  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.797  -0.188  -2.875  1.00  0.68           O
ATOM    739  CB  ARG C  54      -6.184   1.447  -4.041  1.00  0.87           C
ATOM    740  CG  ARG C  54      -5.522   0.519  -5.049  1.00  1.28           C
ATOM    741  CD  ARG C  54      -5.141   1.263  -6.320  1.00  1.82           C
ATOM    742  NE  ARG C  54      -6.306   1.853  -6.982  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -6.255   2.915  -7.789  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -5.092   3.495  -8.056  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -7.367   3.385  -8.336  1.00  4.09           N
ATOM      0  H   ARG C  54      -4.544   0.510  -2.391  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -7.133   1.519  -2.118  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -7.065   1.893  -4.504  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -5.497   2.262  -3.814  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -4.632   0.073  -4.606  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -6.200  -0.299  -5.293  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -4.425   2.049  -6.079  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -4.643   0.577  -7.006  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -7.216   1.424  -6.816  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -4.233   3.130  -7.644  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -5.057   4.306  -8.673  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -8.261   2.935  -8.140  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -7.328   4.197  -8.953  1.00  4.09           H   new
ATOM    759  N   SER C  55      -7.075  -1.558  -3.302  1.00  0.62           N
ATOM    760  CA  SER C  55      -7.942  -2.694  -3.601  1.00  0.65           C
ATOM    761  C   SER C  55      -8.672  -3.183  -2.347  1.00  0.60           C
ATOM    762  O   SER C  55      -9.886  -3.389  -2.368  1.00  0.68           O
ATOM    763  CB  SER C  55      -7.143  -3.835  -4.232  1.00  0.72           C
ATOM    764  OG  SER C  55      -7.993  -4.888  -4.650  1.00  1.54           O
ATOM      0  H   SER C  55      -6.076  -1.757  -3.358  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -8.692  -2.357  -4.317  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -6.580  -3.459  -5.086  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -6.417  -4.214  -3.513  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -7.456  -5.603  -5.051  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.934  -3.360  -1.254  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.525  -3.849  -0.010  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.394  -2.774   0.651  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.227  -3.077   1.504  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.435  -4.309   0.963  1.00  0.50           C
ATOM    775  SG  CYS C  56      -6.273  -5.522   0.283  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.932  -3.174  -1.203  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -9.159  -4.700  -0.259  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.874  -3.436   1.297  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.912  -4.738   1.845  1.00  0.50           H   new
ATOM      0  HG  CYS C  56      -5.347  -4.906  -0.390  1.00  0.65           H   new
ATOM    780  N   SER C  57      -9.186  -1.519   0.261  1.00  0.62           N
ATOM    781  CA  SER C  57      -9.942  -0.402   0.822  1.00  0.74           C
ATOM    782  C   SER C  57     -11.268  -0.234   0.087  1.00  0.89           C
ATOM    783  O   SER C  57     -12.165   0.470   0.555  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.119   0.892   0.736  1.00  0.78           C
ATOM    785  OG  SER C  57      -9.754   1.965   1.413  1.00  1.25           O
ATOM      0  H   SER C  57      -8.499  -1.249  -0.443  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.151  -0.616   1.870  1.00  0.74           H   new
ATOM      0  HB2 SER C  57      -8.132   0.724   1.166  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -8.970   1.159  -0.310  1.00  0.78           H   new
ATOM      0  HG  SER C  57     -10.723   1.819   1.422  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.390  -0.885  -1.059  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.605  -0.788  -1.837  1.00  1.06           C
ATOM    793  C   GLY C  58     -13.670  -1.740  -1.346  1.00  1.50           C
ATOM    794  O   GLY C  58     -13.466  -2.954  -1.334  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.667  -1.480  -1.464  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -12.983   0.233  -1.792  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -12.383  -1.000  -2.883  1.00  1.06           H   new