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=  0.0281
USER  MOD Set 1.2: C  18 CYS SG  :   rot  145:sc=    1.08
USER  MOD Set 1.3: C  35 HIS     :     no HD1:sc=   0.202  K(o=-2.9,f=-6.6!)
USER  MOD Set 1.4: C  38 CYS SG  :   rot -142:sc=   -4.23!
USER  MOD Set 2.1: C  27 CYS SG  :   rot  153:sc=    2.02
USER  MOD Set 2.2: C  30 CYS SG  :   rot  -54:sc=   0.682
USER  MOD Set 2.3: C  53 CYS SG  :   rot -134:sc=       1
USER  MOD Set 2.4: C  56 CYS SG  :   rot  144:sc=  -0.153
USER  MOD Set 3.1: C  28 THR OG1 :   rot  -78:sc=    1.23
USER  MOD Set 3.2: C  29 HIS     :     no HD1:sc=       0  X(o=1.2,f=1.2)
USER  MOD Single : C  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  39 HIS     :     no HD1:sc=       0  X(o=0,f=-0.014)
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=  0.0292
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot  -27:sc=    1.27
USER  MOD -----------------------------------------------------------------
ATOM    167  N   ARG C  14       8.380  -0.016  -2.058  1.00  1.06           N
ATOM    168  CA  ARG C  14       8.459   1.408  -1.770  1.00  0.77           C
ATOM    169  C   ARG C  14       7.169   2.089  -2.201  1.00  0.65           C
ATOM    170  O   ARG C  14       6.386   1.515  -2.955  1.00  0.73           O
ATOM    171  CB  ARG C  14       9.630   2.043  -2.521  1.00  0.75           C
ATOM    172  CG  ARG C  14      11.002   1.547  -2.095  1.00  1.01           C
ATOM    173  CD  ARG C  14      12.085   2.198  -2.933  1.00  1.12           C
ATOM    174  NE  ARG C  14      13.431   1.873  -2.471  1.00  1.74           N
ATOM    175  CZ  ARG C  14      14.472   2.699  -2.589  1.00  2.20           C
ATOM    176  NH1 ARG C  14      14.310   3.909  -3.112  1.00  2.19           N
ATOM    177  NH2 ARG C  14      15.670   2.318  -2.171  1.00  3.18           N
ATOM      0  HA  ARG C  14       8.610   1.536  -0.698  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14       9.505   1.854  -3.587  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       9.590   3.123  -2.382  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14      11.165   1.771  -1.041  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      11.053   0.463  -2.202  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      11.975   1.881  -3.970  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      11.951   3.280  -2.915  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      13.584   0.964  -2.034  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.387   4.210  -3.425  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      15.109   4.537  -3.200  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      15.796   1.393  -1.759  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      16.466   2.949  -2.261  1.00  3.18           H   new
ATOM    191  N   CYS C  15       6.951   3.310  -1.725  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.806   4.096  -2.156  1.00  0.46           C
ATOM    193  C   CYS C  15       5.994   4.499  -3.612  1.00  0.42           C
ATOM    194  O   CYS C  15       6.808   5.369  -3.909  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.650   5.343  -1.276  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.331   6.473  -1.796  1.00  0.48           S
ATOM      0  H   CYS C  15       7.551   3.774  -1.043  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       4.901   3.496  -2.059  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.456   5.026  -0.251  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.595   5.887  -1.269  1.00  0.46           H   new
ATOM      0  HG  CYS C  15       4.791   7.688  -1.836  1.00  0.48           H   new
ATOM    201  N   GLY C  16       5.240   3.867  -4.507  1.00  0.56           N
ATOM    202  CA  GLY C  16       5.393   4.104  -5.937  1.00  0.65           C
ATOM    203  C   GLY C  16       5.171   5.551  -6.327  1.00  0.54           C
ATOM    204  O   GLY C  16       5.640   6.001  -7.372  1.00  0.61           O
ATOM      0  H   GLY C  16       4.518   3.188  -4.267  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       6.394   3.801  -6.244  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       4.688   3.475  -6.481  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.454   6.279  -5.489  1.00  0.52           N
ATOM    209  CA  VAL C  17       4.197   7.692  -5.722  1.00  0.65           C
ATOM    210  C   VAL C  17       5.440   8.531  -5.414  1.00  0.66           C
ATOM    211  O   VAL C  17       5.680   9.567  -6.037  1.00  0.86           O
ATOM    212  CB  VAL C  17       3.021   8.180  -4.850  1.00  0.78           C
ATOM    213  CG1 VAL C  17       2.687   9.635  -5.139  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.798   7.297  -5.058  1.00  0.94           C
ATOM      0  H   VAL C  17       4.036   5.912  -4.634  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.940   7.813  -6.774  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       3.326   8.109  -3.806  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       1.855   9.949  -4.509  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       3.557  10.257  -4.928  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       2.410   9.743  -6.188  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.979   7.657  -4.435  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.499   7.331  -6.106  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.039   6.270  -4.783  1.00  0.94           H   new
ATOM    224  N   CYS C  18       6.246   8.059  -4.475  1.00  0.55           N
ATOM    225  CA  CYS C  18       7.394   8.823  -3.995  1.00  0.70           C
ATOM    226  C   CYS C  18       8.728   8.239  -4.457  1.00  0.68           C
ATOM    227  O   CYS C  18       9.607   8.963  -4.919  1.00  0.84           O
ATOM    228  CB  CYS C  18       7.371   8.892  -2.471  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.001   9.857  -1.804  1.00  0.82           S
ATOM      0  H   CYS C  18       6.128   7.150  -4.028  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       7.311   9.822  -4.422  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       7.317   7.879  -2.072  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       8.310   9.323  -2.122  1.00  0.82           H   new
ATOM      0  HG  CYS C  18       5.596   9.323  -0.690  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.873   6.931  -4.333  1.00  0.60           N
ATOM    235  CA  GLY C  19      10.146   6.298  -4.603  1.00  0.67           C
ATOM    236  C   GLY C  19      10.874   5.944  -3.322  1.00  0.68           C
ATOM    237  O   GLY C  19      11.799   5.137  -3.325  1.00  0.77           O
ATOM      0  H   GLY C  19       8.129   6.293  -4.049  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.987   5.396  -5.193  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.765   6.965  -5.202  1.00  0.67           H   new
ATOM    241  N   ASP C  20      10.445   6.557  -2.224  1.00  0.70           N
ATOM    242  CA  ASP C  20      11.015   6.280  -0.910  1.00  0.70           C
ATOM    243  C   ASP C  20      10.228   5.188  -0.200  1.00  0.52           C
ATOM    244  O   ASP C  20       9.024   5.027  -0.424  1.00  0.44           O
ATOM    245  CB  ASP C  20      11.016   7.538  -0.033  1.00  0.80           C
ATOM    246  CG  ASP C  20      12.044   8.568  -0.455  1.00  1.30           C
ATOM    247  OD1 ASP C  20      13.213   8.461  -0.026  1.00  1.40           O
ATOM    248  OD2 ASP C  20      11.696   9.474  -1.244  1.00  2.10           O
ATOM      0  H   ASP C  20       9.700   7.253  -2.218  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      12.042   5.949  -1.066  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      10.025   7.992  -0.062  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20      11.205   7.250   1.001  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.916   4.437   0.645  1.00  0.55           N
ATOM    254  CA  GLY C  21      10.259   3.442   1.471  1.00  0.51           C
ATOM    255  C   GLY C  21      10.283   3.841   2.932  1.00  0.45           C
ATOM    256  O   GLY C  21       9.933   3.056   3.810  1.00  0.51           O
ATOM      0  H   GLY C  21      11.926   4.498   0.775  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       9.227   3.316   1.142  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      10.753   2.478   1.346  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.710   5.072   3.179  1.00  0.44           N
ATOM    261  CA  THR C  22      10.789   5.620   4.523  1.00  0.46           C
ATOM    262  C   THR C  22       9.393   5.917   5.063  1.00  0.39           C
ATOM    263  O   THR C  22       8.545   6.431   4.328  1.00  0.41           O
ATOM    264  CB  THR C  22      11.640   6.902   4.527  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.857   6.664   3.806  1.00  1.06           O
ATOM    266  CG2 THR C  22      11.968   7.340   5.946  1.00  0.90           C
ATOM      0  H   THR C  22      11.012   5.719   2.450  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.262   4.880   5.169  1.00  0.46           H   new
ATOM      0  HB  THR C  22      11.068   7.697   4.049  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      13.401   7.479   3.805  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      12.570   8.248   5.916  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      11.043   7.535   6.489  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.526   6.551   6.450  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.165   5.556   6.338  1.00  0.41           N
ATOM    275  CA  ASP C  23       7.861   5.704   7.008  1.00  0.45           C
ATOM    276  C   ASP C  23       6.724   5.255   6.099  1.00  0.38           C
ATOM    277  O   ASP C  23       5.695   5.920   5.964  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.627   7.134   7.548  1.00  0.59           C
ATOM    279  CG  ASP C  23       7.639   8.232   6.496  1.00  1.39           C
ATOM    280  OD1 ASP C  23       8.730   8.740   6.160  1.00  2.23           O
ATOM    281  OD2 ASP C  23       6.556   8.565   5.964  1.00  1.75           O
ATOM      0  H   ASP C  23       9.885   5.151   6.936  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       7.877   5.048   7.878  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       6.667   7.158   8.064  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       8.394   7.355   8.290  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.921   4.092   5.498  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.970   3.552   4.555  1.00  0.31           C
ATOM    288  C   VAL C  24       4.941   2.696   5.289  1.00  0.32           C
ATOM    289  O   VAL C  24       5.271   1.986   6.242  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.689   2.734   3.453  1.00  0.36           C
ATOM    291  CG1 VAL C  24       7.020   1.319   3.912  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.873   2.722   2.177  1.00  1.16           C
ATOM      0  H   VAL C  24       7.740   3.504   5.652  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.452   4.378   4.067  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.639   3.228   3.247  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.523   0.784   3.107  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.674   1.363   4.783  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       6.100   0.797   4.175  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       6.396   2.142   1.416  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       4.900   2.271   2.372  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.735   3.744   1.824  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.692   2.793   4.876  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.626   2.054   5.523  1.00  0.30           C
ATOM    304  C   LEU C  25       2.426   0.711   4.844  1.00  0.30           C
ATOM    305  O   LEU C  25       2.584   0.586   3.627  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.326   2.860   5.509  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.367   4.165   6.306  1.00  0.37           C
ATOM    308  CD1 LEU C  25       0.047   4.901   6.180  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.686   3.892   7.769  1.00  0.48           C
ATOM      0  H   LEU C  25       3.391   3.376   4.095  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.909   1.879   6.561  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       1.070   3.091   4.475  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.524   2.236   5.904  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       2.157   4.794   5.896  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25       0.091   5.828   6.752  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.143   5.131   5.132  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.757   4.274   6.565  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.710   4.833   8.318  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.919   3.244   8.194  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.657   3.403   7.844  1.00  0.48           H   new
ATOM    321  N   ARG C  26       2.096  -0.288   5.642  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.915  -1.642   5.153  1.00  0.33           C
ATOM    323  C   ARG C  26       0.438  -2.007   5.199  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.303  -1.510   6.046  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.728  -2.615   6.010  1.00  0.42           C
ATOM    326  CG  ARG C  26       4.213  -2.279   6.080  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.887  -2.391   4.720  1.00  0.95           C
ATOM    328  NE  ARG C  26       4.784  -3.742   4.170  1.00  1.64           N
ATOM    329  CZ  ARG C  26       5.608  -4.249   3.255  1.00  2.21           C
ATOM    330  NH1 ARG C  26       6.637  -3.538   2.803  1.00  2.24           N
ATOM    331  NH2 ARG C  26       5.416  -5.483   2.809  1.00  3.18           N
ATOM      0  H   ARG C  26       1.946  -0.184   6.646  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.264  -1.706   4.123  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.319  -2.624   7.020  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.611  -3.622   5.610  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.338  -1.267   6.464  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.704  -2.950   6.784  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.431  -1.682   4.029  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       5.938  -2.115   4.812  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       4.029  -4.337   4.511  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       6.801  -2.596   3.157  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       7.263  -3.935   2.102  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       4.640  -6.040   3.167  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       6.045  -5.876   2.108  1.00  3.18           H   new
ATOM    345  N   CYS C  27       0.007  -2.864   4.287  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.391  -3.251   4.228  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.677  -4.377   5.219  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.903  -5.325   5.342  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.786  -3.670   2.808  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.576  -3.712   2.553  1.00  0.37           S
ATOM      0  H   CYS C  27       0.601  -3.301   3.583  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -1.993  -2.385   4.504  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.339  -2.978   2.094  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.372  -4.656   2.598  1.00  0.29           H   new
ATOM      0  HG  CYS C  27      -3.841  -3.498   1.298  1.00  0.37           H   new
ATOM    355  N   THR C  28      -2.801  -4.266   5.913  1.00  0.25           N
ATOM    356  CA  THR C  28      -3.178  -5.230   6.940  1.00  0.31           C
ATOM    357  C   THR C  28      -3.909  -6.436   6.351  1.00  0.33           C
ATOM    358  O   THR C  28      -4.259  -7.373   7.069  1.00  0.44           O
ATOM    359  CB  THR C  28      -4.077  -4.567   7.998  1.00  0.39           C
ATOM    360  OG1 THR C  28      -5.173  -3.904   7.353  1.00  0.75           O
ATOM    361  CG2 THR C  28      -3.291  -3.568   8.829  1.00  0.72           C
ATOM      0  H   THR C  28      -3.474  -3.511   5.782  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -2.254  -5.578   7.402  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -4.457  -5.343   8.662  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -4.867  -3.050   6.984  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.949  -3.113   9.569  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -2.473  -4.080   9.336  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.886  -2.793   8.179  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.156  -6.406   5.048  1.00  0.31           N
ATOM    370  CA  HIS C  29      -4.864  -7.500   4.392  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.036  -8.111   3.268  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.346  -9.197   2.782  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.215  -7.028   3.851  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.271  -6.875   4.905  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.269  -7.803   5.106  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.486  -5.893   5.813  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -9.052  -7.401   6.089  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.597  -6.245   6.534  1.00  1.43           N
ATOM      0  H   HIS C  29      -3.880  -5.644   4.428  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.035  -8.271   5.144  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -6.079  -6.072   3.345  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.564  -7.738   3.101  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -6.893  -5.000   5.944  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29      -9.917  -7.928   6.465  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -9.007  -5.701   7.293  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -2.996  -7.406   2.842  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.104  -7.924   1.816  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.714  -7.327   2.000  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.431  -6.710   3.028  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.644  -7.609   0.416  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.314  -5.927  -0.149  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.751  -6.479   3.190  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.044  -9.008   1.915  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.207  -8.310  -0.295  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.721  -7.777   0.409  1.00  0.42           H   new
ATOM      0  HG  CYS C  30      -2.749  -5.079   0.735  1.00  0.79           H   new
ATOM    397  N   ALA C  31       0.138  -7.496   1.004  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.486  -6.956   1.036  1.00  0.37           C
ATOM    399  C   ALA C  31       1.584  -5.729   0.138  1.00  0.36           C
ATOM    400  O   ALA C  31       1.431  -5.828  -1.082  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.494  -8.013   0.606  1.00  0.47           C
ATOM      0  H   ALA C  31      -0.084  -8.010   0.152  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.717  -6.658   2.059  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.499  -7.591   0.636  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.438  -8.866   1.283  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.268  -8.340  -0.409  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.835  -4.576   0.743  1.00  0.32           N
ATOM    408  CA  ALA C  32       1.941  -3.326   0.004  1.00  0.35           C
ATOM    409  C   ALA C  32       2.696  -2.288   0.818  1.00  0.33           C
ATOM    410  O   ALA C  32       2.597  -2.260   2.045  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.558  -2.802  -0.365  1.00  0.37           C
ATOM      0  H   ALA C  32       1.970  -4.481   1.750  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.495  -3.519  -0.915  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.658  -1.867  -0.917  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.044  -3.536  -0.986  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32      -0.019  -2.627   0.543  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.456  -1.450   0.129  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.188  -0.370   0.770  1.00  0.38           C
ATOM    419  C   ALA C  33       3.840   0.957   0.114  1.00  0.37           C
ATOM    420  O   ALA C  33       4.166   1.192  -1.048  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.685  -0.628   0.694  1.00  0.45           C
ATOM      0  H   ALA C  33       3.582  -1.499  -0.882  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.901  -0.325   1.821  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.220   0.189   1.178  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.919  -1.565   1.200  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       5.990  -0.693  -0.350  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.165   1.819   0.856  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.749   3.115   0.342  1.00  0.36           C
ATOM    429  C   PHE C  34       2.506   4.076   1.495  1.00  0.32           C
ATOM    430  O   PHE C  34       2.372   3.654   2.637  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.469   2.966  -0.491  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.297   2.426   0.286  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.143   1.062   0.479  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.647   3.285   0.826  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.927   0.567   1.196  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.720   2.796   1.542  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.860   1.435   1.728  1.00  0.61           C
ATOM      0  H   PHE C  34       2.892   1.644   1.823  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.540   3.513  -0.294  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.201   3.938  -0.905  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.670   2.305  -1.334  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.869   0.379   0.063  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.541   4.350   0.685  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -1.035  -0.498   1.341  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.449   3.476   1.956  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.698   1.050   2.289  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.468   5.365   1.202  1.00  0.32           N
ATOM    448  CA  HIS C  35       2.097   6.350   2.211  1.00  0.32           C
ATOM    449  C   HIS C  35       0.613   6.649   2.078  1.00  0.33           C
ATOM    450  O   HIS C  35       0.118   6.760   0.954  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.898   7.652   2.065  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.389   7.480   2.077  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.184   8.139   1.177  1.00  0.42           N
ATOM    454  CD2 HIS C  35       5.169   6.727   2.883  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.425   7.773   1.439  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.470   6.913   2.475  1.00  0.42           N
ATOM      0  H   HIS C  35       2.686   5.754   0.285  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.322   5.935   3.194  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.610   8.136   1.132  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.618   8.327   2.874  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.835   6.098   3.695  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.291   8.118   0.894  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.304   6.484   2.877  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.092   6.756   3.197  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.545   6.938   3.179  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.952   8.075   2.247  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.749   7.879   1.329  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.068   7.212   4.593  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.559   7.353   4.662  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.264   8.487   4.950  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.531   6.326   4.432  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.612   8.226   4.916  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.800   6.907   4.598  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.448   4.971   4.100  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -6.977   6.180   4.444  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.616   4.250   3.948  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.865   4.856   4.119  1.00  0.68           C
ATOM      0  H   TRP C  36       0.316   6.720   4.131  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -1.988   6.015   2.805  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.757   6.400   5.251  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.607   8.124   4.972  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.825   9.449   5.172  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.352   8.904   5.098  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.487   4.496   3.965  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -7.943   6.644   4.576  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.564   3.202   3.693  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.760   4.266   3.992  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.349   9.241   2.452  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.720  10.449   1.715  1.00  0.44           C
ATOM    490  C   ARG C  37      -1.387  10.336   0.226  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.913  11.087  -0.595  1.00  0.51           O
ATOM    492  CB  ARG C  37      -1.011  11.665   2.311  1.00  0.61           C
ATOM    493  CG  ARG C  37      -1.313  11.884   3.785  1.00  0.70           C
ATOM    494  CD  ARG C  37      -0.621  13.129   4.316  1.00  1.05           C
ATOM    495  NE  ARG C  37       0.833  13.058   4.170  1.00  1.72           N
ATOM    496  CZ  ARG C  37       1.636  14.122   4.190  1.00  2.32           C
ATOM    497  NH1 ARG C  37       1.130  15.341   4.344  1.00  2.37           N
ATOM    498  NH2 ARG C  37       2.945  13.968   4.049  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.596   9.378   3.126  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.799  10.569   1.807  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.065  11.547   2.183  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -1.303  12.555   1.753  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -2.390  11.976   3.927  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.989  11.014   4.357  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37      -0.995  14.005   3.786  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37      -0.873  13.262   5.368  1.00  1.05           H   new
ATOM      0  HE  ARG C  37       1.258  12.139   4.045  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       0.123  15.466   4.448  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       1.749  16.152   4.359  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37       3.338  13.035   3.925  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       3.559  14.782   4.064  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.519   9.398  -0.116  1.00  0.37           N
ATOM    513  CA  CYS C  38      -0.103   9.207  -1.498  1.00  0.36           C
ATOM    514  C   CYS C  38      -1.100   8.329  -2.249  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.164   8.346  -3.476  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.290   8.592  -1.538  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.506   9.523  -0.582  1.00  0.54           S
ATOM      0  H   CYS C  38      -0.087   8.754   0.546  1.00  0.37           H   new
ATOM      0  HA  CYS C  38      -0.075  10.178  -1.992  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.241   7.572  -1.156  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.623   8.529  -2.574  1.00  0.34           H   new
ATOM      0  HG  CYS C  38       3.645   9.520  -1.209  1.00  0.54           H   new
ATOM    522  N   HIS C  39      -1.859   7.542  -1.504  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.872   6.681  -2.096  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.261   7.274  -1.903  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.136   7.136  -2.758  1.00  0.61           O
ATOM    526  CB  HIS C  39      -2.812   5.285  -1.477  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.161   4.261  -2.353  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.762   3.066  -2.674  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.944   4.237  -2.943  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.944   2.347  -3.417  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.833   3.035  -3.600  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.793   7.481  -0.488  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.671   6.604  -3.164  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.269   5.340  -0.533  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -3.825   4.958  -1.243  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.198   5.017  -2.905  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -2.149   1.362  -3.809  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39      -0.025   2.726  -4.140  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.458   7.929  -0.774  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.734   8.539  -0.452  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.538  10.022  -0.161  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.626  10.398   0.573  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.363   7.846   0.761  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.722   6.401   0.528  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -5.762   5.408   0.643  1.00  0.55           C
ATOM    547  CD2 PHE C  40      -8.017   6.038   0.190  1.00  0.71           C
ATOM    548  CE1 PHE C  40      -6.084   4.082   0.426  1.00  0.66           C
ATOM    549  CE2 PHE C  40      -8.346   4.712  -0.027  1.00  0.80           C
ATOM    550  CZ  PHE C  40      -7.392   3.736   0.101  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.742   8.053  -0.058  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.404   8.427  -1.304  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.670   7.906   1.600  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.262   8.390   1.051  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -4.749   5.674   0.906  1.00  0.55           H   new
ATOM      0  HD2 PHE C  40      -8.777   6.799   0.095  1.00  0.71           H   new
ATOM      0  HE1 PHE C  40      -5.325   3.318   0.508  1.00  0.66           H   new
ATOM      0  HE2 PHE C  40      -9.357   4.445  -0.298  1.00  0.80           H   new
ATOM      0  HZ  PHE C  40      -7.655   2.700  -0.050  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.375  10.886  -0.760  1.00  0.89           N
ATOM    561  CA  PRO C  41      -6.325  12.333  -0.529  1.00  1.04           C
ATOM    562  C   PRO C  41      -6.461  12.672   0.949  1.00  1.30           C
ATOM    563  O   PRO C  41      -7.045  11.915   1.724  1.00  1.93           O
ATOM    564  CB  PRO C  41      -7.526  12.875  -1.318  1.00  1.81           C
ATOM    565  CG  PRO C  41      -8.372  11.686  -1.623  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.429  10.526  -1.713  1.00  1.43           C
ATOM      0  HA  PRO C  41      -5.375  12.765  -0.843  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -8.079  13.611  -0.734  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -7.203  13.372  -2.233  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -9.116  11.525  -0.843  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -8.915  11.822  -2.558  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -7.915   9.588  -1.443  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -7.036  10.402  -2.722  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -5.923  13.829   1.320  1.00  1.64           N
ATOM    575  CA  ALA C  42      -5.828  14.244   2.720  1.00  2.34           C
ATOM    576  C   ALA C  42      -7.192  14.353   3.388  1.00  1.92           C
ATOM    577  O   ALA C  42      -7.288  14.343   4.616  1.00  2.41           O
ATOM    578  CB  ALA C  42      -5.088  15.567   2.828  1.00  3.30           C
ATOM      0  H   ALA C  42      -5.540  14.507   0.661  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -5.270  13.469   3.246  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -5.025  15.864   3.875  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -4.083  15.456   2.421  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -5.625  16.331   2.266  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -8.241  14.472   2.583  1.00  1.37           N
ATOM    585  CA  GLY C  43      -9.588  14.499   3.113  1.00  1.46           C
ATOM    586  C   GLY C  43     -10.036  13.134   3.601  1.00  1.21           C
ATOM    587  O   GLY C  43     -10.985  13.023   4.378  1.00  1.41           O
ATOM      0  H   GLY C  43      -8.180  14.551   1.568  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -9.639  15.213   3.935  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43     -10.274  14.851   2.342  1.00  1.46           H   new
ATOM    591  N   THR C  44      -9.353  12.093   3.144  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.662  10.736   3.553  1.00  0.76           C
ATOM    593  C   THR C  44      -8.942  10.407   4.857  1.00  0.65           C
ATOM    594  O   THR C  44      -7.720  10.538   4.956  1.00  0.73           O
ATOM    595  CB  THR C  44      -9.253   9.723   2.465  1.00  0.83           C
ATOM    596  OG1 THR C  44      -9.795  10.127   1.199  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.751   8.325   2.805  1.00  0.99           C
ATOM      0  H   THR C  44      -8.577  12.167   2.486  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.739  10.665   3.704  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -8.165   9.700   2.412  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -9.532   9.482   0.510  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.449   7.630   2.021  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.323   8.008   3.756  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.838   8.335   2.882  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.702   9.977   5.847  1.00  0.67           N
ATOM    606  CA  SER C  45      -9.161   9.712   7.167  1.00  0.69           C
ATOM    607  C   SER C  45      -8.660   8.275   7.262  1.00  0.61           C
ATOM    608  O   SER C  45      -9.318   7.344   6.788  1.00  0.66           O
ATOM    609  CB  SER C  45     -10.240   9.967   8.216  1.00  0.91           C
ATOM    610  OG  SER C  45     -10.856  11.227   8.008  1.00  1.60           O
ATOM      0  H   SER C  45     -10.703   9.803   5.760  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -8.317  10.378   7.347  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -10.991   9.178   8.171  1.00  0.91           H   new
ATOM      0  HB3 SER C  45      -9.800   9.932   9.213  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -11.546  11.371   8.689  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -7.488   8.107   7.862  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.892   6.790   8.026  1.00  0.70           C
ATOM    618  C   ARG C  46      -7.687   5.971   9.043  1.00  0.82           C
ATOM    619  O   ARG C  46      -7.905   6.407  10.177  1.00  0.97           O
ATOM    620  CB  ARG C  46      -5.425   6.916   8.452  1.00  0.86           C
ATOM    621  CG  ARG C  46      -5.224   7.604   9.794  1.00  1.10           C
ATOM    622  CD  ARG C  46      -3.758   7.663  10.185  1.00  1.09           C
ATOM    623  NE  ARG C  46      -3.576   8.295  11.490  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -2.464   8.206  12.215  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -1.420   7.526  11.761  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -2.396   8.805  13.396  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.931   8.871   8.244  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.924   6.269   7.069  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.984   5.920   8.497  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.882   7.471   7.687  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -5.629   8.615   9.748  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -5.784   7.071  10.563  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -3.346   6.654  10.208  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -3.201   8.218   9.430  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -4.351   8.839  11.869  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -1.467   7.067  10.851  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46      -0.570   7.462  12.322  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -3.195   9.333  13.747  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46      -1.544   8.738  13.954  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -8.156   4.784   8.634  1.00  0.82           N
ATOM    641  CA  PRO C  47      -8.984   3.927   9.483  1.00  1.01           C
ATOM    642  C   PRO C  47      -8.192   3.285  10.616  1.00  1.13           C
ATOM    643  O   PRO C  47      -7.034   2.905  10.442  1.00  1.14           O
ATOM    644  CB  PRO C  47      -9.498   2.861   8.515  1.00  1.02           C
ATOM    645  CG  PRO C  47      -8.465   2.788   7.447  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.904   4.177   7.314  1.00  0.70           C
ATOM      0  HA  PRO C  47      -9.775   4.489   9.979  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -9.620   1.900   9.014  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47     -10.471   3.134   8.106  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -7.683   2.075   7.709  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.900   2.452   6.506  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.840   4.158   7.079  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -8.397   4.733   6.517  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -8.821   3.166  11.775  1.00  1.31           N
ATOM    655  CA  GLY C  48      -8.190   2.500  12.898  1.00  1.49           C
ATOM    656  C   GLY C  48      -8.509   1.022  12.919  1.00  1.61           C
ATOM    657  O   GLY C  48      -8.144   0.304  13.851  1.00  1.90           O
ATOM      0  H   GLY C  48      -9.760   3.519  11.960  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -7.110   2.639  12.844  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -8.525   2.958  13.829  1.00  1.49           H   new
ATOM    661  N   THR C  49      -9.194   0.571  11.880  1.00  1.53           N
ATOM    662  CA  THR C  49      -9.563  -0.826  11.738  1.00  1.70           C
ATOM    663  C   THR C  49      -8.513  -1.587  10.932  1.00  1.25           C
ATOM    664  O   THR C  49      -8.772  -2.677  10.415  1.00  1.89           O
ATOM    665  CB  THR C  49     -10.930  -0.943  11.042  1.00  2.25           C
ATOM    666  OG1 THR C  49     -10.987  -0.025   9.938  1.00  2.72           O
ATOM    667  CG2 THR C  49     -12.059  -0.644  12.012  1.00  2.75           C
ATOM      0  H   THR C  49      -9.509   1.164  11.112  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -9.623  -1.264  12.734  1.00  1.70           H   new
ATOM      0  HB  THR C  49     -11.048  -1.964  10.680  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -11.857  -0.101   9.494  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -13.015  -0.733  11.496  1.00  2.75           H   new
ATOM      0 HG22 THR C  49     -12.025  -1.353  12.839  1.00  2.75           H   new
ATOM      0 HG23 THR C  49     -11.948   0.369  12.398  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -7.326  -1.009  10.835  1.00  0.82           N
ATOM    676  CA  GLY C  50      -6.274  -1.599  10.038  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.060  -0.842   8.746  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.023  -0.471   8.071  1.00  0.60           O
ATOM      0  H   GLY C  50      -7.072  -0.136  11.298  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -5.347  -1.611  10.611  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -6.524  -2.636   9.815  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -4.804  -0.596   8.411  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.459   0.129   7.198  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.769  -0.729   5.969  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.292  -1.860   5.848  1.00  0.33           O
ATOM    686  CB  LEU C  51      -2.972   0.510   7.235  1.00  0.50           C
ATOM    687  CG  LEU C  51      -2.591   1.834   6.558  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.879   1.792   5.066  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -3.320   3.001   7.212  1.00  0.86           C
ATOM      0  H   LEU C  51      -4.001  -0.890   8.966  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.053   1.041   7.136  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -2.657   0.556   8.277  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.402  -0.291   6.764  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -1.519   1.979   6.688  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.599   2.744   4.614  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.303   0.989   4.607  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.942   1.613   4.906  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -3.036   3.930   6.718  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -4.396   2.855   7.120  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.050   3.054   8.267  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.583  -0.199   5.068  1.00  0.32           N
ATOM    702  CA  ARG C  52      -5.967  -0.922   3.864  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.482  -0.191   2.620  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.558   1.033   2.540  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.489  -1.094   3.793  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.066  -1.983   4.883  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.556  -2.223   4.677  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.328  -0.980   4.701  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.528  -0.833   4.140  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -12.102  -1.847   3.498  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -12.155   0.332   4.214  1.00  2.65           N
ATOM      0  H   ARG C  52      -5.992   0.732   5.148  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.500  -1.906   3.906  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -7.958  -0.112   3.854  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.751  -1.512   2.821  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.540  -2.938   4.891  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -7.902  -1.520   5.856  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.712  -2.726   3.723  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.925  -2.892   5.454  1.00  0.79           H   new
ATOM      0  HE  ARG C  52      -9.922  -0.175   5.177  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.623  -2.745   3.432  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -13.021  -1.726   3.071  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -11.719   1.116   4.700  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -13.073   0.445   3.785  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.969  -0.949   1.660  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.558  -0.384   0.385  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.777  -0.207  -0.515  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.899  -0.513  -0.105  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.533  -1.290  -0.300  1.00  0.47           C
ATOM    730  SG  CYS C  53      -4.245  -2.791  -1.008  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.828  -1.956   1.741  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -4.096   0.587   0.565  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -3.035  -0.728  -1.090  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.767  -1.569   0.424  1.00  0.47           H   new
ATOM      0  HG  CYS C  53      -3.511  -3.814  -0.684  1.00  0.49           H   new
ATOM    735  N   ARG C  54      -5.551   0.239  -1.747  1.00  0.58           N
ATOM    736  CA  ARG C  54      -6.639   0.501  -2.681  1.00  0.68           C
ATOM    737  C   ARG C  54      -7.489  -0.747  -2.898  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.707  -0.716  -2.727  1.00  0.68           O
ATOM    739  CB  ARG C  54      -6.082   0.991  -4.022  1.00  0.87           C
ATOM    740  CG  ARG C  54      -7.143   1.199  -5.090  1.00  1.28           C
ATOM    741  CD  ARG C  54      -8.130   2.297  -4.722  1.00  1.82           C
ATOM    742  NE  ARG C  54      -9.233   2.366  -5.678  1.00  2.43           N
ATOM    743  CZ  ARG C  54     -10.081   3.390  -5.777  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -9.927   4.467  -5.011  1.00  3.47           N
ATOM    745  NH2 ARG C  54     -11.075   3.340  -6.652  1.00  4.09           N
ATOM      0  H   ARG C  54      -4.621   0.427  -2.122  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -7.272   1.277  -2.250  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -5.552   1.930  -3.863  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -5.351   0.269  -4.386  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -6.660   1.450  -6.034  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -7.684   0.266  -5.247  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -8.524   2.114  -3.722  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -7.614   3.256  -4.690  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -9.363   1.578  -6.312  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -9.157   4.512  -4.344  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54     -10.579   5.247  -5.091  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54     -11.190   2.520  -7.247  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54     -11.725   4.122  -6.730  1.00  4.09           H   new
ATOM    759  N   SER C  55      -6.842  -1.850  -3.242  1.00  0.62           N
ATOM    760  CA  SER C  55      -7.553  -3.076  -3.570  1.00  0.65           C
ATOM    761  C   SER C  55      -8.341  -3.602  -2.368  1.00  0.60           C
ATOM    762  O   SER C  55      -9.517  -3.941  -2.492  1.00  0.68           O
ATOM    763  CB  SER C  55      -6.571  -4.136  -4.079  1.00  0.72           C
ATOM    764  OG  SER C  55      -7.242  -5.325  -4.462  1.00  1.54           O
ATOM      0  H   SER C  55      -5.826  -1.921  -3.301  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -8.269  -2.851  -4.360  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -6.016  -3.740  -4.929  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -5.843  -4.363  -3.300  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -6.588  -5.981  -4.783  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.704  -3.637  -1.201  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.346  -4.177  -0.003  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.435  -3.245   0.536  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.272  -3.665   1.334  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.313  -4.455   1.089  1.00  0.50           C
ATOM    775  SG  CYS C  56      -6.042  -5.653   0.624  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.752  -3.301  -1.058  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.821  -5.114  -0.294  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.829  -3.517   1.362  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.830  -4.818   1.978  1.00  0.50           H   new
ATOM      0  HG  CYS C  56      -4.905  -5.304   1.148  1.00  0.65           H   new
ATOM    780  N   SER C  57      -9.420  -1.981   0.126  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.457  -1.052   0.559  1.00  0.74           C
ATOM    782  C   SER C  57     -11.708  -1.224  -0.298  1.00  0.89           C
ATOM    783  O   SER C  57     -12.783  -0.737   0.045  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.962   0.399   0.508  1.00  0.78           C
ATOM    785  OG  SER C  57      -9.736   0.832  -0.825  1.00  1.25           O
ATOM      0  H   SER C  57      -8.715  -1.582  -0.494  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.706  -1.280   1.595  1.00  0.74           H   new
ATOM      0  HB2 SER C  57     -10.696   1.050   0.982  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -9.039   0.489   1.081  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -9.520   0.059  -1.388  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.551  -1.931  -1.411  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.667  -2.203  -2.289  1.00  1.06           C
ATOM    793  C   GLY C  58     -12.996  -3.678  -2.326  1.00  1.50           C
ATOM    794  O   GLY C  58     -13.341  -4.267  -1.300  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.661  -2.323  -1.721  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -13.540  -1.643  -1.954  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -12.433  -1.856  -3.295  1.00  1.06           H   new