USER  MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11
USER  MOD reduce.3.24.130724 removed 438 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 NoAdj-H: C  35 HIS HD1 : C  35 HIS ND1 : C 101  ZNZN   :(H bumps)
USER  MOD Set 1.1: C  28 THR OG1 :   rot  -67:sc=   0.735
USER  MOD Set 1.2: C  29 HIS     :     no HD1:sc= -0.0822  X(o=0.65,f=0.58)
USER  MOD Single : C   1 GLY N   :NH3+   -120:sc=   0.115   (180deg=0)
USER  MOD Single : C   3 MET CE  :methyl -164:sc= -0.0686   (180deg=-0.431)
USER  MOD Single : C   6 GLN     :      amide:sc=  -0.848  K(o=-0.85,f=-2.3!)
USER  MOD Single : C   7 GLN     :FLIP  amide:sc=       0  F(o=-0.85,f=0)
USER  MOD Single : C   8 ASN     :      amide:sc=       0  X(o=0,f=-0.069)
USER  MOD Single : C  22 THR OG1 :   rot   66:sc=    1.17
USER  MOD Single : C  39 HIS     :     no HD1:sc=   -1.88  K(o=-1.9,f=-2.8!)
USER  MOD Single : C  44 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot -150:sc=       0
USER  MOD Single : C  61 THR OG1 :   rot   42:sc=  0.0883
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY C   1      11.294   0.229  -7.525  1.00 20.38           N
ATOM      2  CA  GLY C   1      12.323  -0.001  -6.483  1.00 19.89           C
ATOM      3  C   GLY C   1      13.459   0.989  -6.595  1.00 19.10           C
ATOM      4  O   GLY C   1      13.489   1.797  -7.524  1.00 18.87           O
ATOM      0  H1  GLY C   1      10.381   0.437  -7.072  1.00 20.38           H   new
ATOM      0  H2  GLY C   1      11.576   1.034  -8.120  1.00 20.38           H   new
ATOM      0  H3  GLY C   1      11.201  -0.622  -8.115  1.00 20.38           H   new
ATOM      0  HA2 GLY C   1      11.867   0.078  -5.496  1.00 19.89           H   new
ATOM      0  HA3 GLY C   1      12.713  -1.015  -6.573  1.00 19.89           H   new
ATOM     10  N   ALA C   2      14.392   0.938  -5.654  1.00 18.81           N
ATOM     11  CA  ALA C   2      15.533   1.839  -5.678  1.00 18.18           C
ATOM     12  C   ALA C   2      16.839   1.071  -5.511  1.00 17.47           C
ATOM     13  O   ALA C   2      17.602   0.917  -6.461  1.00 17.29           O
ATOM     14  CB  ALA C   2      15.388   2.905  -4.602  1.00 18.51           C
ATOM      0  H   ALA C   2      14.381   0.286  -4.870  1.00 18.81           H   new
ATOM      0  HA  ALA C   2      15.560   2.332  -6.650  1.00 18.18           H   new
ATOM      0  HB1 ALA C   2      16.250   3.572  -4.632  1.00 18.51           H   new
ATOM      0  HB2 ALA C   2      14.478   3.479  -4.779  1.00 18.51           H   new
ATOM      0  HB3 ALA C   2      15.332   2.429  -3.623  1.00 18.51           H   new
ATOM     20  N   MET C   3      17.085   0.574  -4.307  1.00 17.21           N
ATOM     21  CA  MET C   3      18.300  -0.184  -4.035  1.00 16.67           C
ATOM     22  C   MET C   3      17.991  -1.670  -3.896  1.00 16.02           C
ATOM     23  O   MET C   3      18.793  -2.520  -4.278  1.00 15.80           O
ATOM     24  CB  MET C   3      18.998   0.340  -2.771  1.00 16.93           C
ATOM     25  CG  MET C   3      18.153   0.245  -1.510  1.00 17.23           C
ATOM     26  SD  MET C   3      18.947   0.986  -0.069  1.00 17.56           S
ATOM     27  CE  MET C   3      20.427  -0.017   0.067  1.00 18.06           C
ATOM      0  H   MET C   3      16.463   0.681  -3.506  1.00 17.21           H   new
ATOM      0  HA  MET C   3      18.976  -0.052  -4.880  1.00 16.67           H   new
ATOM      0  HB2 MET C   3      19.921  -0.220  -2.620  1.00 16.93           H   new
ATOM      0  HB3 MET C   3      19.279   1.381  -2.929  1.00 16.93           H   new
ATOM      0  HG2 MET C   3      17.196   0.737  -1.683  1.00 17.23           H   new
ATOM      0  HG3 MET C   3      17.939  -0.803  -1.301  1.00 17.23           H   new
ATOM      0  HE1 MET C   3      20.871   0.121   1.053  1.00 18.06           H   new
ATOM      0  HE2 MET C   3      20.169  -1.067  -0.070  1.00 18.06           H   new
ATOM      0  HE3 MET C   3      21.142   0.284  -0.699  1.00 18.06           H   new
ATOM     37  N   GLU C   4      16.814  -1.979  -3.364  1.00 15.89           N
ATOM     38  CA  GLU C   4      16.403  -3.362  -3.172  1.00 15.45           C
ATOM     39  C   GLU C   4      15.690  -3.886  -4.412  1.00 14.85           C
ATOM     40  O   GLU C   4      14.458  -3.880  -4.486  1.00 14.73           O
ATOM     41  CB  GLU C   4      15.490  -3.487  -1.952  1.00 15.88           C
ATOM     42  CG  GLU C   4      16.146  -3.062  -0.650  1.00 16.30           C
ATOM     43  CD  GLU C   4      15.218  -3.203   0.536  1.00 16.61           C
ATOM     44  OE1 GLU C   4      14.471  -2.244   0.830  1.00 16.78           O
ATOM     45  OE2 GLU C   4      15.229  -4.271   1.181  1.00 16.83           O
ATOM      0  H   GLU C   4      16.128  -1.289  -3.058  1.00 15.89           H   new
ATOM      0  HA  GLU C   4      17.298  -3.961  -3.003  1.00 15.45           H   new
ATOM      0  HB2 GLU C   4      14.598  -2.881  -2.113  1.00 15.88           H   new
ATOM      0  HB3 GLU C   4      15.160  -4.522  -1.861  1.00 15.88           H   new
ATOM      0  HG2 GLU C   4      17.039  -3.664  -0.483  1.00 16.30           H   new
ATOM      0  HG3 GLU C   4      16.472  -2.025  -0.732  1.00 16.30           H   new
ATOM     52  N   GLY C   5      16.466  -4.325  -5.386  1.00 14.66           N
ATOM     53  CA  GLY C   5      15.897  -4.851  -6.606  1.00 14.26           C
ATOM     54  C   GLY C   5      16.958  -5.186  -7.628  1.00 13.87           C
ATOM     55  O   GLY C   5      18.151  -5.024  -7.369  1.00 13.77           O
ATOM      0  H   GLY C   5      17.485  -4.327  -5.354  1.00 14.66           H   new
ATOM      0  HA2 GLY C   5      15.317  -5.746  -6.379  1.00 14.26           H   new
ATOM      0  HA3 GLY C   5      15.206  -4.121  -7.027  1.00 14.26           H   new
ATOM     59  N   GLN C   6      16.522  -5.642  -8.791  1.00 13.82           N
ATOM     60  CA  GLN C   6      17.431  -6.015  -9.865  1.00 13.64           C
ATOM     61  C   GLN C   6      17.091  -5.249 -11.139  1.00 12.68           C
ATOM     62  O   GLN C   6      17.555  -5.597 -12.227  1.00 12.45           O
ATOM     63  CB  GLN C   6      17.345  -7.521 -10.127  1.00 14.30           C
ATOM     64  CG  GLN C   6      15.938  -7.991 -10.466  1.00 14.92           C
ATOM     65  CD  GLN C   6      15.870  -9.460 -10.834  1.00 15.49           C
ATOM     66  OE1 GLN C   6      15.022  -9.870 -11.626  1.00 15.79           O
ATOM     67  NE2 GLN C   6      16.756 -10.263 -10.268  1.00 15.80           N
ATOM      0  H   GLN C   6      15.535  -5.764  -9.017  1.00 13.82           H   new
ATOM      0  HA  GLN C   6      18.447  -5.762  -9.563  1.00 13.64           H   new
ATOM      0  HB2 GLN C   6      18.015  -7.779 -10.947  1.00 14.30           H   new
ATOM      0  HB3 GLN C   6      17.698  -8.057  -9.246  1.00 14.30           H   new
ATOM      0  HG2 GLN C   6      15.285  -7.807  -9.613  1.00 14.92           H   new
ATOM      0  HG3 GLN C   6      15.554  -7.397 -11.296  1.00 14.92           H   new
ATOM      0 HE21 GLN C   6      17.444  -9.885  -9.616  1.00 15.80           H   new
ATOM      0 HE22 GLN C   6      16.752 -11.260 -10.483  1.00 15.80           H   new
ATOM     76  N   GLN C   7      16.274  -4.208 -10.986  1.00 12.28           N
ATOM     77  CA  GLN C   7      15.787  -3.410 -12.112  1.00 11.51           C
ATOM     78  C   GLN C   7      15.016  -4.278 -13.104  1.00 10.75           C
ATOM     79  O   GLN C   7      15.236  -4.211 -14.312  1.00 10.49           O
ATOM     80  CB  GLN C   7      16.938  -2.684 -12.820  1.00 11.80           C
ATOM     81  CG  GLN C   7      17.581  -1.591 -11.980  1.00 12.20           C
ATOM     82  CD  GLN C   7      18.657  -0.827 -12.731  1.00 12.74           C
ATOM     83  OE1 GLN C   7      19.348  -1.503 -13.635  1.00 12.97           O   flip
ATOM     84  NE2 GLN C   7      18.869   0.363 -12.494  1.00 13.13           N   flip
ATOM      0  H   GLN C   7      15.931  -3.893 -10.079  1.00 12.28           H   new
ATOM      0  HA  GLN C   7      15.108  -2.658 -11.711  1.00 11.51           H   new
ATOM      0  HB2 GLN C   7      17.700  -3.413 -13.097  1.00 11.80           H   new
ATOM      0  HB3 GLN C   7      16.565  -2.246 -13.746  1.00 11.80           H   new
ATOM      0  HG2 GLN C   7      16.811  -0.894 -11.648  1.00 12.20           H   new
ATOM      0  HG3 GLN C   7      18.015  -2.036 -11.085  1.00 12.20           H   new
ATOM      0 HE21 GLN C   7      18.315   0.849 -11.789  1.00 13.13           H   new
ATOM      0 HE22 GLN C   7      19.599   0.862 -13.002  1.00 13.13           H   new
ATOM     93  N   ASN C   8      14.109  -5.095 -12.585  1.00 10.61           N
ATOM     94  CA  ASN C   8      13.297  -5.967 -13.424  1.00 10.12           C
ATOM     95  C   ASN C   8      11.962  -6.257 -12.753  1.00  9.04           C
ATOM     96  O   ASN C   8      10.899  -5.984 -13.311  1.00  8.88           O
ATOM     97  CB  ASN C   8      14.031  -7.283 -13.709  1.00 10.85           C
ATOM     98  CG  ASN C   8      13.246  -8.202 -14.629  1.00 11.31           C
ATOM     99  OD1 ASN C   8      12.425  -9.002 -14.179  1.00 11.47           O
ATOM    100  ND2 ASN C   8      13.495  -8.101 -15.924  1.00 11.74           N
ATOM      0  H   ASN C   8      13.917  -5.172 -11.586  1.00 10.61           H   new
ATOM      0  HA  ASN C   8      13.116  -5.455 -14.369  1.00 10.12           H   new
ATOM      0  HB2 ASN C   8      14.999  -7.065 -14.160  1.00 10.85           H   new
ATOM      0  HB3 ASN C   8      14.226  -7.797 -12.768  1.00 10.85           H   new
ATOM      0 HD21 ASN C   8      13.000  -8.698 -16.587  1.00 11.74           H   new
ATOM      0 HD22 ASN C   8      14.182  -7.426 -16.260  1.00 11.74           H   new
ATOM    107  N   LEU C   9      12.025  -6.804 -11.550  1.00  8.49           N
ATOM    108  CA  LEU C   9      10.825  -7.156 -10.809  1.00  7.55           C
ATOM    109  C   LEU C   9      10.570  -6.154  -9.693  1.00  6.52           C
ATOM    110  O   LEU C   9      11.438  -5.914  -8.852  1.00  6.53           O
ATOM    111  CB  LEU C   9      10.957  -8.567 -10.226  1.00  7.88           C
ATOM    112  CG  LEU C   9       9.767  -9.043  -9.388  1.00  8.24           C
ATOM    113  CD1 LEU C   9       8.511  -9.134 -10.239  1.00  8.67           C
ATOM    114  CD2 LEU C   9      10.074 -10.386  -8.742  1.00  8.72           C
ATOM      0  H   LEU C   9      12.897  -7.014 -11.065  1.00  8.49           H   new
ATOM      0  HA  LEU C   9       9.979  -7.133 -11.496  1.00  7.55           H   new
ATOM      0  HB2 LEU C   9      11.106  -9.269 -11.047  1.00  7.88           H   new
ATOM      0  HB3 LEU C   9      11.854  -8.604  -9.608  1.00  7.88           H   new
ATOM      0  HG  LEU C   9       9.591  -8.312  -8.599  1.00  8.24           H   new
ATOM      0 HD11 LEU C   9       7.678  -9.474  -9.623  1.00  8.67           H   new
ATOM      0 HD12 LEU C   9       8.280  -8.152 -10.652  1.00  8.67           H   new
ATOM      0 HD13 LEU C   9       8.673  -9.841 -11.053  1.00  8.67           H   new
ATOM      0 HD21 LEU C   9       9.218 -10.709  -8.150  1.00  8.72           H   new
ATOM      0 HD22 LEU C   9      10.279 -11.124  -9.517  1.00  8.72           H   new
ATOM      0 HD23 LEU C   9      10.946 -10.288  -8.095  1.00  8.72           H   new
ATOM    126  N   ALA C  10       9.389  -5.557  -9.702  1.00  5.93           N
ATOM    127  CA  ALA C  10       8.983  -4.660  -8.636  1.00  5.15           C
ATOM    128  C   ALA C  10       8.663  -5.460  -7.383  1.00  4.09           C
ATOM    129  O   ALA C  10       7.826  -6.366  -7.418  1.00  3.79           O
ATOM    130  CB  ALA C  10       7.777  -3.839  -9.066  1.00  5.31           C
ATOM      0  H   ALA C  10       8.694  -5.679 -10.439  1.00  5.93           H   new
ATOM      0  HA  ALA C  10       9.802  -3.975  -8.417  1.00  5.15           H   new
ATOM      0  HB1 ALA C  10       7.484  -3.171  -8.256  1.00  5.31           H   new
ATOM      0  HB2 ALA C  10       8.033  -3.251  -9.947  1.00  5.31           H   new
ATOM      0  HB3 ALA C  10       6.948  -4.506  -9.303  1.00  5.31           H   new
ATOM    136  N   PRO C  11       9.330  -5.145  -6.258  1.00  4.05           N
ATOM    137  CA  PRO C  11       9.155  -5.875  -4.995  1.00  3.68           C
ATOM    138  C   PRO C  11       7.729  -5.814  -4.465  1.00  2.90           C
ATOM    139  O   PRO C  11       7.335  -6.621  -3.624  1.00  3.43           O
ATOM    140  CB  PRO C  11      10.110  -5.168  -4.027  1.00  4.66           C
ATOM    141  CG  PRO C  11      11.082  -4.449  -4.896  1.00  5.25           C
ATOM    142  CD  PRO C  11      10.326  -4.068  -6.134  1.00  5.02           C
ATOM      0  HA  PRO C  11       9.362  -6.938  -5.123  1.00  3.68           H   new
ATOM      0  HB2 PRO C  11       9.573  -4.475  -3.379  1.00  4.66           H   new
ATOM      0  HB3 PRO C  11      10.615  -5.884  -3.379  1.00  4.66           H   new
ATOM      0  HG2 PRO C  11      11.477  -3.566  -4.393  1.00  5.25           H   new
ATOM      0  HG3 PRO C  11      11.933  -5.085  -5.139  1.00  5.25           H   new
ATOM      0  HD2 PRO C  11       9.854  -3.091  -6.034  1.00  5.02           H   new
ATOM      0  HD3 PRO C  11      10.978  -4.019  -7.006  1.00  5.02           H   new
ATOM    150  N   GLY C  12       6.971  -4.844  -4.946  1.00  2.28           N
ATOM    151  CA  GLY C  12       5.585  -4.708  -4.542  1.00  2.25           C
ATOM    152  C   GLY C  12       5.435  -3.913  -3.262  1.00  1.93           C
ATOM    153  O   GLY C  12       4.600  -3.012  -3.171  1.00  2.19           O
ATOM      0  H   GLY C  12       7.291  -4.143  -5.614  1.00  2.28           H   new
ATOM      0  HA2 GLY C  12       5.023  -4.220  -5.338  1.00  2.25           H   new
ATOM      0  HA3 GLY C  12       5.150  -5.698  -4.405  1.00  2.25           H   new
ATOM    157  N   ALA C  13       6.251  -4.235  -2.270  1.00  1.67           N
ATOM    158  CA  ALA C  13       6.202  -3.536  -0.998  1.00  1.63           C
ATOM    159  C   ALA C  13       7.063  -2.277  -1.037  1.00  1.27           C
ATOM    160  O   ALA C  13       8.138  -2.217  -0.438  1.00  1.33           O
ATOM    161  CB  ALA C  13       6.639  -4.456   0.127  1.00  2.07           C
ATOM      0  H   ALA C  13       6.952  -4.974  -2.322  1.00  1.67           H   new
ATOM      0  HA  ALA C  13       5.172  -3.231  -0.812  1.00  1.63           H   new
ATOM      0  HB1 ALA C  13       6.597  -3.918   1.074  1.00  2.07           H   new
ATOM      0  HB2 ALA C  13       5.975  -5.319   0.170  1.00  2.07           H   new
ATOM      0  HB3 ALA C  13       7.660  -4.793  -0.054  1.00  2.07           H   new
ATOM    167  N   ARG C  14       6.564  -1.274  -1.743  1.00  1.06           N
ATOM    168  CA  ARG C  14       7.192   0.035  -1.806  1.00  0.77           C
ATOM    169  C   ARG C  14       6.244   1.006  -2.486  1.00  0.65           C
ATOM    170  O   ARG C  14       5.668   0.692  -3.526  1.00  0.73           O
ATOM    171  CB  ARG C  14       8.520  -0.017  -2.562  1.00  0.75           C
ATOM    172  CG  ARG C  14       9.216   1.330  -2.627  1.00  1.01           C
ATOM    173  CD  ARG C  14      10.583   1.231  -3.274  1.00  1.12           C
ATOM    174  NE  ARG C  14      11.228   2.540  -3.357  1.00  1.74           N
ATOM    175  CZ  ARG C  14      12.165   2.968  -2.512  1.00  2.20           C
ATOM    176  NH1 ARG C  14      12.588   2.185  -1.527  1.00  2.19           N
ATOM    177  NH2 ARG C  14      12.672   4.186  -2.647  1.00  3.18           N
ATOM      0  H   ARG C  14       5.707  -1.347  -2.291  1.00  1.06           H   new
ATOM      0  HA  ARG C  14       7.405   0.368  -0.790  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14       9.179  -0.738  -2.079  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       8.342  -0.377  -3.575  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14       8.599   2.031  -3.189  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14       9.320   1.734  -1.620  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      11.211   0.550  -2.700  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      10.485   0.808  -4.274  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      10.942   3.166  -4.110  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      12.195   1.250  -1.414  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      13.306   2.518  -0.883  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      12.345   4.794  -3.397  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      13.389   4.514  -2.000  1.00  3.18           H   new
ATOM    191  N   CYS C  15       6.075   2.170  -1.888  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.174   3.172  -2.420  1.00  0.46           C
ATOM    193  C   CYS C  15       5.762   3.793  -3.681  1.00  0.42           C
ATOM    194  O   CYS C  15       6.661   4.631  -3.613  1.00  0.40           O
ATOM    195  CB  CYS C  15       4.932   4.235  -1.353  1.00  0.46           C
ATOM    196  SG  CYS C  15       3.888   5.624  -1.849  1.00  0.48           S
ATOM      0  H   CYS C  15       6.553   2.445  -1.030  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       4.224   2.710  -2.688  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       4.478   3.755  -0.486  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       5.897   4.627  -1.032  1.00  0.46           H   new
ATOM    201  N   GLY C  16       5.233   3.388  -4.827  1.00  0.56           N
ATOM    202  CA  GLY C  16       5.701   3.916  -6.090  1.00  0.65           C
ATOM    203  C   GLY C  16       5.041   5.232  -6.425  1.00  0.54           C
ATOM    204  O   GLY C  16       5.429   5.909  -7.375  1.00  0.61           O
ATOM      0  H   GLY C  16       4.484   2.700  -4.903  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       6.782   4.051  -6.050  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       5.499   3.196  -6.883  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.039   5.595  -5.633  1.00  0.52           N
ATOM    209  CA  VAL C  17       3.329   6.850  -5.821  1.00  0.65           C
ATOM    210  C   VAL C  17       4.286   8.025  -5.652  1.00  0.66           C
ATOM    211  O   VAL C  17       4.335   8.923  -6.491  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.161   6.995  -4.827  1.00  0.78           C
ATOM    213  CG1 VAL C  17       1.337   8.231  -5.149  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.288   5.749  -4.831  1.00  0.94           C
ATOM      0  H   VAL C  17       3.700   5.034  -4.852  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       2.921   6.848  -6.832  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       2.577   7.111  -3.826  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       0.517   8.317  -4.437  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       1.969   9.117  -5.084  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       0.934   8.147  -6.158  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.470   5.875  -4.121  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       0.881   5.593  -5.830  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       1.887   4.884  -4.544  1.00  0.94           H   new
ATOM    224  N   CYS C  18       5.053   8.008  -4.569  1.00  0.55           N
ATOM    225  CA  CYS C  18       6.075   9.020  -4.358  1.00  0.70           C
ATOM    226  C   CYS C  18       7.435   8.465  -4.775  1.00  0.68           C
ATOM    227  O   CYS C  18       8.327   9.205  -5.187  1.00  0.84           O
ATOM    228  CB  CYS C  18       6.105   9.485  -2.894  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.537   8.193  -1.704  1.00  0.82           S
ATOM      0  H   CYS C  18       4.986   7.309  -3.829  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       5.837   9.889  -4.972  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       6.821  10.302  -2.800  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       5.126   9.888  -2.634  1.00  0.82           H   new
ATOM    234  N   GLY C  19       7.579   7.148  -4.674  1.00  0.60           N
ATOM    235  CA  GLY C  19       8.811   6.502  -5.075  1.00  0.67           C
ATOM    236  C   GLY C  19       9.690   6.176  -3.889  1.00  0.68           C
ATOM    237  O   GLY C  19      10.801   5.674  -4.048  1.00  0.77           O
ATOM      0  H   GLY C  19       6.861   6.516  -4.320  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       8.580   5.586  -5.618  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19       9.354   7.151  -5.762  1.00  0.67           H   new
ATOM    241  N   ASP C  20       9.183   6.452  -2.699  1.00  0.70           N
ATOM    242  CA  ASP C  20       9.944   6.256  -1.476  1.00  0.70           C
ATOM    243  C   ASP C  20       9.223   5.293  -0.536  1.00  0.52           C
ATOM    244  O   ASP C  20       7.992   5.265  -0.485  1.00  0.44           O
ATOM    245  CB  ASP C  20      10.178   7.605  -0.791  1.00  0.80           C
ATOM    246  CG  ASP C  20      10.893   7.474   0.535  1.00  1.30           C
ATOM    247  OD1 ASP C  20      11.944   6.800   0.590  1.00  1.40           O
ATOM    248  OD2 ASP C  20      10.415   8.054   1.528  1.00  2.10           O
ATOM      0  H   ASP C  20       8.241   6.815  -2.553  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      10.908   5.815  -1.730  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      10.762   8.246  -1.451  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20       9.219   8.099  -0.634  1.00  0.80           H   new
ATOM    253  N   GLY C  21       9.996   4.494   0.185  1.00  0.55           N
ATOM    254  CA  GLY C  21       9.431   3.548   1.126  1.00  0.51           C
ATOM    255  C   GLY C  21       9.846   3.854   2.555  1.00  0.45           C
ATOM    256  O   GLY C  21       9.738   3.000   3.434  1.00  0.51           O
ATOM      0  H   GLY C  21      11.015   4.485   0.134  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       8.344   3.567   1.052  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21       9.751   2.540   0.863  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.331   5.070   2.785  1.00  0.44           N
ATOM    261  CA  THR C  22      10.805   5.472   4.104  1.00  0.46           C
ATOM    262  C   THR C  22       9.634   5.811   5.025  1.00  0.39           C
ATOM    263  O   THR C  22       8.815   6.680   4.702  1.00  0.41           O
ATOM    264  CB  THR C  22      11.751   6.688   4.008  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.775   6.433   3.038  1.00  1.06           O
ATOM    266  CG2 THR C  22      12.391   6.994   5.355  1.00  0.90           C
ATOM      0  H   THR C  22      10.406   5.796   2.072  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.355   4.629   4.522  1.00  0.46           H   new
ATOM      0  HB  THR C  22      11.161   7.552   3.703  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.372   6.361   2.148  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      13.052   7.855   5.257  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      11.613   7.215   6.086  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.967   6.131   5.689  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.566   5.114   6.166  1.00  0.41           N
ATOM    275  CA  ASP C  23       8.481   5.289   7.136  1.00  0.45           C
ATOM    276  C   ASP C  23       7.133   5.132   6.453  1.00  0.38           C
ATOM    277  O   ASP C  23       6.245   5.980   6.572  1.00  0.42           O
ATOM    278  CB  ASP C  23       8.574   6.645   7.844  1.00  0.59           C
ATOM    279  CG  ASP C  23       9.621   6.654   8.939  1.00  1.39           C
ATOM    280  OD1 ASP C  23      10.799   6.953   8.645  1.00  2.23           O
ATOM    281  OD2 ASP C  23       9.273   6.359  10.103  1.00  1.75           O
ATOM      0  H   ASP C  23      10.258   4.417   6.441  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       8.582   4.514   7.896  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       8.810   7.418   7.113  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       7.603   6.896   8.271  1.00  0.59           H   new
ATOM    286  N   VAL C  24       7.003   4.031   5.741  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.827   3.757   4.938  1.00  0.31           C
ATOM    288  C   VAL C  24       4.805   2.952   5.745  1.00  0.32           C
ATOM    289  O   VAL C  24       5.162   2.260   6.704  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.243   2.976   3.669  1.00  0.36           C
ATOM    291  CG1 VAL C  24       6.574   1.527   3.998  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.180   3.071   2.593  1.00  1.16           C
ATOM      0  H   VAL C  24       7.712   3.298   5.702  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.365   4.700   4.646  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.149   3.438   3.276  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       6.863   1.004   3.086  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.398   1.495   4.711  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       5.699   1.043   4.432  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       5.501   2.512   1.714  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       4.245   2.653   2.967  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.028   4.116   2.323  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.535   3.055   5.374  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.491   2.279   6.022  1.00  0.30           C
ATOM    304  C   LEU C  25       2.378   0.915   5.356  1.00  0.30           C
ATOM    305  O   LEU C  25       2.606   0.780   4.151  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.147   3.015   5.970  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.096   4.346   6.721  1.00  0.37           C
ATOM    308  CD1 LEU C  25      -0.256   5.013   6.527  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.376   4.137   8.202  1.00  0.48           C
ATOM      0  H   LEU C  25       3.206   3.668   4.628  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.757   2.144   7.071  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       0.892   3.197   4.926  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.377   2.359   6.376  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       1.868   4.999   6.314  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25      -0.276   5.959   7.068  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.421   5.198   5.466  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -1.042   4.361   6.908  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.335   5.096   8.719  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.627   3.466   8.623  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.366   3.699   8.327  1.00  0.48           H   new
ATOM    321  N   ARG C  26       2.045  -0.094   6.141  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.984  -1.457   5.644  1.00  0.33           C
ATOM    323  C   ARG C  26       0.538  -1.928   5.572  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.258  -1.646   6.471  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.786  -2.379   6.567  1.00  0.42           C
ATOM    326  CG  ARG C  26       3.181  -3.702   5.934  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.155  -3.501   4.784  1.00  0.95           C
ATOM    328  NE  ARG C  26       5.331  -2.723   5.183  1.00  1.64           N
ATOM    329  CZ  ARG C  26       6.508  -2.779   4.562  1.00  2.21           C
ATOM    330  NH1 ARG C  26       6.685  -3.604   3.538  1.00  2.24           N
ATOM    331  NH2 ARG C  26       7.512  -2.017   4.979  1.00  3.18           N
ATOM      0  H   ARG C  26       1.812   0.006   7.129  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.413  -1.487   4.642  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       3.688  -1.858   6.887  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.198  -2.579   7.463  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       3.634  -4.346   6.688  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       2.289  -4.214   5.572  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.475  -4.473   4.407  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       3.647  -2.993   3.964  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       5.243  -2.100   5.986  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       5.918  -4.198   3.224  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       7.588  -3.644   3.065  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       7.381  -1.391   5.773  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       8.414  -2.058   4.505  1.00  3.18           H   new
ATOM    345  N   CYS C  27       0.198  -2.628   4.496  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.139  -3.177   4.346  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.345  -4.311   5.347  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.439  -5.111   5.586  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.370  -3.677   2.911  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.123  -3.808   2.482  1.00  0.37           S
ATOM      0  H   CYS C  27       0.828  -2.827   3.719  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -1.864  -2.388   4.546  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -0.880  -2.999   2.212  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -0.898  -4.652   2.792  1.00  0.29           H   new
ATOM    355  N   THR C  28      -2.524  -4.357   5.950  1.00  0.25           N
ATOM    356  CA  THR C  28      -2.843  -5.392   6.919  1.00  0.31           C
ATOM    357  C   THR C  28      -3.575  -6.559   6.264  1.00  0.33           C
ATOM    358  O   THR C  28      -3.536  -7.685   6.757  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.710  -4.834   8.059  1.00  0.39           C
ATOM    360  OG1 THR C  28      -4.904  -4.245   7.524  1.00  0.75           O
ATOM    361  CG2 THR C  28      -2.946  -3.797   8.867  1.00  0.72           C
ATOM      0  H   THR C  28      -3.276  -3.688   5.784  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -1.897  -5.748   7.326  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -3.975  -5.660   8.719  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -4.671  -3.446   7.006  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.582  -3.418   9.667  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -2.055  -4.255   9.297  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.652  -2.973   8.217  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.238  -6.287   5.147  1.00  0.31           N
ATOM    370  CA  HIS C  29      -5.017  -7.312   4.456  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.151  -8.051   3.444  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.478  -9.156   3.019  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.238  -6.698   3.765  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.265  -6.157   4.716  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.330  -6.897   5.175  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.389  -4.934   5.286  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -9.065  -6.156   5.981  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.517  -4.959   6.068  1.00  1.43           N
ATOM      0  H   HIS C  29      -4.253  -5.370   4.700  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.369  -8.027   5.200  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -5.906  -5.894   3.108  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.704  -7.454   3.133  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -6.723  -4.094   5.150  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29      -9.965  -6.475   6.485  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -8.872  -4.181   6.624  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -3.051  -7.428   3.057  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.074  -8.061   2.189  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.711  -7.462   2.494  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.575  -6.703   3.445  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.433  -7.854   0.713  1.00  0.42           C
ATOM    392  SG  CYS C  30      -1.835  -6.300   0.019  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.811  -6.476   3.333  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.063  -9.135   2.372  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.024  -8.680   0.132  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.517  -7.894   0.605  1.00  0.42           H   new
ATOM    397  N   ALA C  31       0.284  -7.774   1.688  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.605  -7.219   1.879  1.00  0.37           C
ATOM    399  C   ALA C  31       1.861  -6.123   0.855  1.00  0.36           C
ATOM    400  O   ALA C  31       1.971  -6.390  -0.339  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.659  -8.312   1.777  1.00  0.47           C
ATOM      0  H   ALA C  31       0.201  -8.410   0.895  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.666  -6.782   2.876  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.648  -7.878   1.923  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.477  -9.066   2.543  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.608  -8.776   0.792  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.969  -4.894   1.332  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.182  -3.745   0.464  1.00  0.35           C
ATOM    409  C   ALA C  32       2.637  -2.554   1.283  1.00  0.33           C
ATOM    410  O   ALA C  32       2.226  -2.394   2.433  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.908  -3.394  -0.300  1.00  0.37           C
ATOM      0  H   ALA C  32       1.912  -4.664   2.324  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.956  -4.003  -0.259  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       1.094  -2.532  -0.941  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.605  -4.243  -0.912  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.114  -3.155   0.407  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.486  -1.733   0.693  1.00  0.38           N
ATOM    418  CA  ALA C  33       3.960  -0.524   1.341  1.00  0.38           C
ATOM    419  C   ALA C  33       3.363   0.692   0.655  1.00  0.37           C
ATOM    420  O   ALA C  33       3.532   0.885  -0.550  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.476  -0.466   1.308  1.00  0.45           C
ATOM      0  H   ALA C  33       3.864  -1.884  -0.242  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.643  -0.531   2.384  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       5.816   0.446   1.798  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.885  -1.332   1.829  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       5.818  -0.471   0.273  1.00  0.45           H   new
ATOM    427  N   PHE C  34       2.647   1.498   1.416  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.000   2.673   0.869  1.00  0.36           C
ATOM    429  C   PHE C  34       1.901   3.764   1.922  1.00  0.32           C
ATOM    430  O   PHE C  34       1.708   3.483   3.097  1.00  0.36           O
ATOM    431  CB  PHE C  34       0.601   2.309   0.359  1.00  0.45           C
ATOM    432  CG  PHE C  34      -0.361   1.874   1.434  1.00  0.47           C
ATOM    433  CD1 PHE C  34      -0.293   0.595   1.964  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -1.329   2.743   1.913  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -1.172   0.191   2.950  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -2.211   2.343   2.899  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -2.139   1.075   3.416  1.00  0.61           C
ATOM      0  H   PHE C  34       2.499   1.359   2.416  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       2.598   3.045   0.038  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       0.181   3.171  -0.160  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       0.692   1.509  -0.375  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.456  -0.094   1.602  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -1.395   3.743   1.511  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -1.108  -0.807   3.357  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.959   3.031   3.263  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.832   0.763   4.184  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.063   5.004   1.506  1.00  0.32           N
ATOM    448  CA  HIS C  35       1.810   6.128   2.392  1.00  0.32           C
ATOM    449  C   HIS C  35       0.360   6.542   2.249  1.00  0.33           C
ATOM    450  O   HIS C  35      -0.172   6.568   1.133  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.707   7.322   2.057  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.173   7.081   2.252  1.00  0.32           C
ATOM    453  ND1 HIS C  35       4.997   6.790   1.199  1.00  0.42           N
ATOM    454  CD2 HIS C  35       4.918   7.133   3.385  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.217   6.679   1.688  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.220   6.876   3.018  1.00  0.42           N
ATOM      0  H   HIS C  35       2.367   5.260   0.567  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.028   5.818   3.414  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.535   7.608   1.019  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.407   8.168   2.675  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.559   7.337   4.383  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.095   6.459   1.099  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.031   6.842   3.636  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.278   6.855   3.368  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.663   7.301   3.350  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.794   8.560   2.505  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.695   8.670   1.687  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.171   7.575   4.768  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.626   7.937   4.809  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.165   9.192   4.795  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.726   7.026   4.860  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.536   9.114   4.829  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.903   7.795   4.871  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.829   5.633   4.896  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -7.167   7.215   4.914  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -6.085   5.058   4.941  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -7.240   5.850   4.949  1.00  0.68           C
ATOM      0  H   TRP C  36       0.140   6.808   4.297  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -2.269   6.507   2.915  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -2.004   6.692   5.385  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.588   8.385   5.207  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.597  10.110   4.762  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.176   9.908   4.824  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.942   5.016   4.889  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -8.060   7.822   4.920  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -6.177   3.982   4.970  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -8.208   5.373   4.984  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -0.859   9.483   2.687  1.00  0.35           N
ATOM    489  CA  ARG C  37      -0.891  10.763   1.986  1.00  0.44           C
ATOM    490  C   ARG C  37      -0.681  10.585   0.485  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.129  11.403  -0.317  1.00  0.51           O
ATOM    492  CB  ARG C  37       0.176  11.698   2.555  1.00  0.61           C
ATOM    493  CG  ARG C  37      -0.044  12.038   4.017  1.00  0.70           C
ATOM    494  CD  ARG C  37       1.091  12.877   4.575  1.00  1.05           C
ATOM    495  NE  ARG C  37       0.869  13.231   5.976  1.00  1.72           N
ATOM    496  CZ  ARG C  37       1.846  13.507   6.840  1.00  2.32           C
ATOM    497  NH1 ARG C  37       3.115  13.434   6.460  1.00  2.37           N
ATOM    498  NH2 ARG C  37       1.551  13.842   8.088  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.065   9.370   3.317  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -1.877  11.202   2.137  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       1.155  11.233   2.440  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37       0.190  12.619   1.973  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -0.984  12.578   4.128  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.135  11.118   4.595  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       2.028  12.327   4.483  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37       1.196  13.786   3.983  1.00  1.05           H   new
ATOM      0  HE  ARG C  37      -0.093  13.269   6.313  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       3.346  13.166   5.503  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       3.859  13.646   7.124  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37       0.577  13.888   8.387  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       2.298  14.053   8.750  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.003   9.517   0.106  1.00  0.37           N
ATOM    513  CA  CYS C  38       0.248   9.248  -1.300  1.00  0.36           C
ATOM    514  C   CYS C  38      -0.962   8.576  -1.944  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.164   8.659  -3.154  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.487   8.367  -1.454  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.978   9.046  -0.688  1.00  0.54           S
ATOM      0  H   CYS C  38       0.382   8.824   0.748  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.424  10.197  -1.807  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.281   7.390  -1.018  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.677   8.209  -2.516  1.00  0.34           H   new
ATOM    522  N   HIS C  39      -1.774   7.920  -1.127  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.914   7.161  -1.631  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.220   7.925  -1.458  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.068   7.926  -2.350  1.00  0.61           O
ATOM    526  CB  HIS C  39      -3.008   5.809  -0.923  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.121   4.751  -1.507  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.544   3.459  -1.726  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.826   4.792  -1.906  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.550   2.750  -2.231  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.498   3.535  -2.351  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.666   7.897  -0.113  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.755   7.002  -2.697  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.753   5.943   0.128  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -4.041   5.463  -0.959  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.174   5.653  -1.879  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -1.592   1.705  -2.500  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.412   3.254  -2.715  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.381   8.570  -0.316  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.616   9.265   0.001  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.340  10.723   0.348  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.421  11.025   1.114  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.323   8.583   1.178  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.713   7.156   0.912  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -7.880   6.860   0.226  1.00  0.71           C
ATOM    547  CD2 PHE C  40      -5.915   6.112   1.349  1.00  0.55           C
ATOM    548  CE1 PHE C  40      -8.242   5.550  -0.021  1.00  0.80           C
ATOM    549  CE2 PHE C  40      -6.272   4.799   1.106  1.00  0.66           C
ATOM    550  CZ  PHE C  40      -7.437   4.518   0.420  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.668   8.627   0.411  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.261   9.227  -0.877  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.669   8.614   2.049  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.217   9.152   1.431  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -8.514   7.663  -0.120  1.00  0.71           H   new
ATOM      0  HD2 PHE C  40      -5.003   6.326   1.886  1.00  0.55           H   new
ATOM      0  HE1 PHE C  40      -9.153   5.333  -0.558  1.00  0.80           H   new
ATOM      0  HE2 PHE C  40      -5.641   3.994   1.452  1.00  0.66           H   new
ATOM      0  HZ  PHE C  40      -7.718   3.493   0.229  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.111  11.648  -0.241  1.00  0.89           N
ATOM    561  CA  PRO C  41      -6.067  13.064   0.125  1.00  1.04           C
ATOM    562  C   PRO C  41      -6.534  13.281   1.561  1.00  1.30           C
ATOM    563  O   PRO C  41      -7.166  12.409   2.163  1.00  1.93           O
ATOM    564  CB  PRO C  41      -7.042  13.727  -0.857  1.00  1.81           C
ATOM    565  CG  PRO C  41      -7.209  12.745  -1.962  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.070  11.396  -1.323  1.00  1.43           C
ATOM      0  HA  PRO C  41      -5.058  13.473   0.072  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -7.996  13.946  -0.377  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -6.646  14.673  -1.227  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -8.182  12.854  -2.440  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -6.455  12.892  -2.735  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -8.023  11.028  -0.942  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -6.699  10.651  -2.027  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -6.239  14.463   2.093  1.00  1.64           N
ATOM    575  CA  ALA C  42      -6.534  14.796   3.487  1.00  2.34           C
ATOM    576  C   ALA C  42      -8.036  14.846   3.761  1.00  1.92           C
ATOM    577  O   ALA C  42      -8.462  15.066   4.897  1.00  2.41           O
ATOM    578  CB  ALA C  42      -5.884  16.121   3.856  1.00  3.30           C
ATOM      0  H   ALA C  42      -5.790  15.217   1.573  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -6.119  14.003   4.109  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -6.109  16.360   4.895  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -4.804  16.045   3.727  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -6.272  16.909   3.210  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -8.835  14.660   2.717  1.00  1.37           N
ATOM    585  CA  GLY C  43     -10.268  14.553   2.886  1.00  1.46           C
ATOM    586  C   GLY C  43     -10.652  13.283   3.621  1.00  1.21           C
ATOM    587  O   GLY C  43     -11.655  13.246   4.334  1.00  1.41           O
ATOM      0  H   GLY C  43      -8.512  14.581   1.753  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43     -10.635  15.418   3.438  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43     -10.752  14.569   1.909  1.00  1.46           H   new
ATOM    591  N   THR C  44      -9.841  12.245   3.460  1.00  0.90           N
ATOM    592  CA  THR C  44     -10.078  10.977   4.130  1.00  0.76           C
ATOM    593  C   THR C  44      -9.158  10.845   5.345  1.00  0.65           C
ATOM    594  O   THR C  44      -7.969  11.157   5.272  1.00  0.73           O
ATOM    595  CB  THR C  44      -9.844   9.797   3.167  1.00  0.83           C
ATOM    596  OG1 THR C  44     -10.494  10.064   1.916  1.00  1.03           O
ATOM    597  CG2 THR C  44     -10.392   8.501   3.748  1.00  0.99           C
ATOM      0  H   THR C  44      -9.010  12.259   2.868  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -11.116  10.954   4.460  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -8.770   9.685   3.017  1.00  0.83           H   new
ATOM      0  HG1 THR C  44     -10.344   9.314   1.303  1.00  1.03           H   new
ATOM      0 HG21 THR C  44     -10.214   7.685   3.048  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.892   8.285   4.692  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -11.463   8.604   3.920  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.714  10.383   6.456  1.00  0.67           N
ATOM    606  CA  SER C  45      -8.977  10.297   7.707  1.00  0.69           C
ATOM    607  C   SER C  45      -8.262   8.955   7.825  1.00  0.61           C
ATOM    608  O   SER C  45      -8.807   7.915   7.445  1.00  0.66           O
ATOM    609  CB  SER C  45      -9.940  10.487   8.880  1.00  0.91           C
ATOM    610  OG  SER C  45      -9.266  10.423  10.124  1.00  1.60           O
ATOM      0  H   SER C  45     -10.680  10.060   6.515  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -8.223  11.084   7.725  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -10.442  11.450   8.787  1.00  0.91           H   new
ATOM      0  HB3 SER C  45     -10.713   9.720   8.845  1.00  0.91           H   new
ATOM      0  HG  SER C  45      -9.910  10.550  10.852  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -7.040   8.990   8.346  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.240   7.784   8.522  1.00  0.70           C
ATOM    618  C   ARG C  46      -6.640   7.055   9.802  1.00  0.82           C
ATOM    619  O   ARG C  46      -6.533   7.609  10.898  1.00  0.97           O
ATOM    620  CB  ARG C  46      -4.751   8.138   8.576  1.00  0.86           C
ATOM    621  CG  ARG C  46      -3.835   6.926   8.685  1.00  1.10           C
ATOM    622  CD  ARG C  46      -2.398   7.336   8.979  1.00  1.09           C
ATOM    623  NE  ARG C  46      -2.273   7.979  10.288  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -1.117   8.194  10.912  1.00  1.76           C
ATOM    625  NH1 ARG C  46       0.030   7.832  10.348  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -1.109   8.773  12.108  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.580   9.846   8.655  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.422   7.128   7.671  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.488   8.701   7.680  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.574   8.794   9.428  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -4.195   6.267   9.475  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -3.869   6.358   7.755  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -1.755   6.457   8.943  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -2.049   8.018   8.204  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -3.129   8.283  10.753  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46       0.029   7.386   9.431  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       0.912   8.000  10.832  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -1.987   9.051  12.546  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46      -0.225   8.939  12.588  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.130   5.813   9.672  1.00  0.82           N
ATOM    641  CA  PRO C  47      -7.475   4.977  10.821  1.00  1.01           C
ATOM    642  C   PRO C  47      -6.232   4.455  11.537  1.00  1.13           C
ATOM    643  O   PRO C  47      -5.143   4.396  10.958  1.00  1.14           O
ATOM    644  CB  PRO C  47      -8.264   3.826  10.197  1.00  1.02           C
ATOM    645  CG  PRO C  47      -7.754   3.724   8.803  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.360   5.117   8.393  1.00  0.70           C
ATOM      0  HA  PRO C  47      -8.034   5.525  11.580  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -8.107   2.897  10.744  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -9.335   4.027  10.212  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -6.901   3.047   8.750  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.519   3.325   8.137  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.463   5.112   7.774  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -8.146   5.599   7.812  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -6.399   4.081  12.797  1.00  1.31           N
ATOM    655  CA  GLY C  48      -5.304   3.516  13.560  1.00  1.49           C
ATOM    656  C   GLY C  48      -5.200   2.019  13.364  1.00  1.61           C
ATOM    657  O   GLY C  48      -4.177   1.408  13.679  1.00  1.90           O
ATOM      0  H   GLY C  48      -7.279   4.159  13.308  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -4.369   3.988  13.259  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -5.446   3.736  14.618  1.00  1.49           H   new
ATOM    661  N   THR C  49      -6.269   1.428  12.843  1.00  1.53           N
ATOM    662  CA  THR C  49      -6.305   0.004  12.570  1.00  1.70           C
ATOM    663  C   THR C  49      -7.079  -0.267  11.278  1.00  1.25           C
ATOM    664  O   THR C  49      -8.021   0.458  10.946  1.00  1.89           O
ATOM    665  CB  THR C  49      -6.940  -0.777  13.745  1.00  2.25           C
ATOM    666  OG1 THR C  49      -6.859  -2.189  13.517  1.00  2.72           O
ATOM    667  CG2 THR C  49      -8.391  -0.381  13.946  1.00  2.75           C
ATOM      0  H   THR C  49      -7.128   1.922  12.601  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -5.278  -0.342  12.451  1.00  1.70           H   new
ATOM      0  HB  THR C  49      -6.380  -0.525  14.645  1.00  2.25           H   new
ATOM      0  HG1 THR C  49      -7.264  -2.666  14.271  1.00  2.72           H   new
ATOM      0 HG21 THR C  49      -8.810  -0.946  14.778  1.00  2.75           H   new
ATOM      0 HG22 THR C  49      -8.450   0.685  14.165  1.00  2.75           H   new
ATOM      0 HG23 THR C  49      -8.956  -0.597  13.039  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -6.664  -1.289  10.542  1.00  0.82           N
ATOM    676  CA  GLY C  50      -7.344  -1.639   9.310  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.831  -0.856   8.123  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.613  -0.291   7.355  1.00  0.60           O
ATOM      0  H   GLY C  50      -5.868  -1.883  10.776  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -7.219  -2.705   9.120  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -8.413  -1.459   9.425  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -5.516  -0.809   7.975  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.908  -0.141   6.835  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.902  -1.063   5.624  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.342  -2.162   5.661  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.480   0.306   7.169  1.00  0.50           C
ATOM    687  CG  LEU C  51      -3.333   1.755   7.653  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -3.601   2.727   6.517  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -4.270   2.038   8.817  1.00  0.86           C
ATOM      0  H   LEU C  51      -4.851  -1.224   8.628  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.500   0.744   6.599  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -3.082  -0.357   7.937  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.861   0.174   6.282  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -2.308   1.891   7.997  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -3.492   3.749   6.879  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.889   2.550   5.711  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -4.615   2.580   6.144  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -4.146   3.071   9.141  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -5.301   1.878   8.501  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -4.036   1.368   9.644  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.519  -0.613   4.547  1.00  0.32           N
ATOM    702  CA  ARG C  52      -5.586  -1.400   3.335  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.084  -0.582   2.153  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.403   0.598   2.009  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.014  -1.911   3.097  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.013  -0.822   2.793  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.420  -1.376   2.636  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.405  -0.321   2.402  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.526  -0.483   1.698  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -11.795  -1.648   1.119  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -12.370   0.531   1.562  1.00  2.65           N
ATOM      0  H   ARG C  52      -5.981   0.295   4.489  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -4.941  -2.272   3.444  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -7.002  -2.620   2.269  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.345  -2.457   3.980  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -8.000  -0.083   3.594  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -7.721  -0.306   1.878  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.441  -2.081   1.805  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.692  -1.932   3.533  1.00  0.79           H   new
ATOM      0  HE  ARG C  52     -10.223   0.599   2.803  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.142  -2.426   1.211  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -12.654  -1.764   0.582  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -12.161   1.430   1.995  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -13.229   0.411   1.024  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.267  -1.219   1.330  1.00  0.33           N
ATOM    726  CA  CYS C  53      -3.674  -0.571   0.174  1.00  0.41           C
ATOM    727  C   CYS C  53      -4.732  -0.348  -0.907  1.00  0.45           C
ATOM    728  O   CYS C  53      -5.869  -0.772  -0.740  1.00  0.47           O
ATOM    729  CB  CYS C  53      -2.541  -1.433  -0.373  1.00  0.47           C
ATOM    730  SG  CYS C  53      -3.108  -2.946  -1.179  1.00  0.49           S
ATOM      0  H   CYS C  53      -3.998  -2.196   1.445  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -3.274   0.397   0.475  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -1.961  -0.847  -1.086  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -1.869  -1.696   0.444  1.00  0.47           H   new
ATOM    735  N   ARG C  54      -4.354   0.277  -2.017  1.00  0.58           N
ATOM    736  CA  ARG C  54      -5.325   0.645  -3.053  1.00  0.68           C
ATOM    737  C   ARG C  54      -6.076  -0.572  -3.591  1.00  0.64           C
ATOM    738  O   ARG C  54      -7.292  -0.519  -3.778  1.00  0.68           O
ATOM    739  CB  ARG C  54      -4.646   1.405  -4.196  1.00  0.87           C
ATOM    740  CG  ARG C  54      -3.424   0.716  -4.778  1.00  1.28           C
ATOM    741  CD  ARG C  54      -2.768   1.578  -5.842  1.00  1.82           C
ATOM    742  NE  ARG C  54      -1.455   1.074  -6.237  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -0.482   1.850  -6.719  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -0.687   3.155  -6.872  1.00  3.47           N
ATOM    745  NH2 ARG C  54       0.691   1.326  -7.052  1.00  4.09           N
ATOM      0  H   ARG C  54      -3.391   0.540  -2.226  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -6.058   1.303  -2.585  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -5.373   1.560  -4.993  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -4.353   2.391  -3.835  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -2.708   0.505  -3.984  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -3.713  -0.242  -5.209  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -3.415   1.624  -6.718  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -2.665   2.597  -5.468  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -1.272   0.075  -6.139  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -1.588   3.563  -6.621  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54       0.056   3.748  -7.240  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54       0.853   0.325  -6.940  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54       1.431   1.924  -7.420  1.00  4.09           H   new
ATOM    759  N   SER C  55      -5.364  -1.669  -3.807  1.00  0.62           N
ATOM    760  CA  SER C  55      -5.976  -2.886  -4.314  1.00  0.65           C
ATOM    761  C   SER C  55      -6.985  -3.439  -3.306  1.00  0.60           C
ATOM    762  O   SER C  55      -8.082  -3.858  -3.670  1.00  0.68           O
ATOM    763  CB  SER C  55      -4.891  -3.917  -4.614  1.00  0.72           C
ATOM    764  OG  SER C  55      -3.877  -3.355  -5.433  1.00  1.54           O
ATOM      0  H   SER C  55      -4.361  -1.740  -3.638  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -6.512  -2.659  -5.235  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -4.455  -4.275  -3.681  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -5.331  -4.781  -5.113  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -3.190  -4.030  -5.613  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -6.607  -3.422  -2.033  1.00  0.52           N
ATOM    771  CA  CYS C  56      -7.493  -3.855  -0.955  1.00  0.54           C
ATOM    772  C   CYS C  56      -8.601  -2.835  -0.698  1.00  0.61           C
ATOM    773  O   CYS C  56      -9.627  -3.154  -0.097  1.00  0.72           O
ATOM    774  CB  CYS C  56      -6.693  -4.071   0.325  1.00  0.50           C
ATOM    775  SG  CYS C  56      -5.539  -5.461   0.250  1.00  0.65           S
ATOM      0  H   CYS C  56      -5.688  -3.111  -1.719  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -7.956  -4.793  -1.263  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.135  -3.162   0.550  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.386  -4.232   1.151  1.00  0.50           H   new
ATOM    780  N   SER C  57      -8.378  -1.608  -1.143  1.00  0.62           N
ATOM    781  CA  SER C  57      -9.303  -0.519  -0.882  1.00  0.74           C
ATOM    782  C   SER C  57     -10.473  -0.566  -1.861  1.00  0.89           C
ATOM    783  O   SER C  57     -11.500   0.082  -1.655  1.00  1.13           O
ATOM    784  CB  SER C  57      -8.564   0.821  -0.976  1.00  0.78           C
ATOM    785  OG  SER C  57      -9.370   1.901  -0.536  1.00  1.25           O
ATOM      0  H   SER C  57      -7.559  -1.342  -1.690  1.00  0.62           H   new
ATOM      0  HA  SER C  57      -9.705  -0.626   0.125  1.00  0.74           H   new
ATOM      0  HB2 SER C  57      -7.656   0.778  -0.375  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -8.256   0.994  -2.007  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -9.115   2.716  -1.016  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -10.320  -1.347  -2.918  1.00  0.86           N
ATOM    792  CA  GLY C  58     -11.393  -1.517  -3.869  1.00  1.06           C
ATOM    793  C   GLY C  58     -12.269  -2.695  -3.508  1.00  1.50           C
ATOM    794  O   GLY C  58     -11.772  -3.713  -3.020  1.00  2.19           O
ATOM      0  H   GLY C  58      -9.469  -1.867  -3.133  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -11.997  -0.610  -3.904  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -10.978  -1.663  -4.866  1.00  1.06           H   new
ATOM    798  N   ASP C  59     -13.565  -2.567  -3.735  1.00  2.14           N
ATOM    799  CA  ASP C  59     -14.488  -3.646  -3.417  1.00  3.08           C
ATOM    800  C   ASP C  59     -14.624  -4.576  -4.611  1.00  3.78           C
ATOM    801  O   ASP C  59     -14.426  -4.162  -5.755  1.00  4.32           O
ATOM    802  CB  ASP C  59     -15.866  -3.103  -3.013  1.00  3.95           C
ATOM    803  CG  ASP C  59     -16.673  -2.592  -4.189  1.00  4.66           C
ATOM    804  OD1 ASP C  59     -16.448  -1.436  -4.614  1.00  5.12           O
ATOM    805  OD2 ASP C  59     -17.526  -3.346  -4.707  1.00  5.15           O
ATOM      0  H   ASP C  59     -14.000  -1.735  -4.134  1.00  2.14           H   new
ATOM      0  HA  ASP C  59     -14.084  -4.199  -2.569  1.00  3.08           H   new
ATOM      0  HB2 ASP C  59     -16.427  -3.891  -2.510  1.00  3.95           H   new
ATOM      0  HB3 ASP C  59     -15.735  -2.296  -2.292  1.00  3.95           H   new
ATOM    810  N   VAL C  60     -14.941  -5.827  -4.343  1.00  4.28           N
ATOM    811  CA  VAL C  60     -15.092  -6.810  -5.398  1.00  5.35           C
ATOM    812  C   VAL C  60     -16.340  -7.658  -5.175  1.00  6.12           C
ATOM    813  O   VAL C  60     -16.537  -8.238  -4.104  1.00  6.50           O
ATOM    814  CB  VAL C  60     -13.838  -7.712  -5.519  1.00  5.93           C
ATOM    815  CG1 VAL C  60     -13.532  -8.425  -4.209  1.00  6.76           C
ATOM    816  CG2 VAL C  60     -14.003  -8.716  -6.653  1.00  6.03           C
ATOM      0  H   VAL C  60     -15.099  -6.188  -3.402  1.00  4.28           H   new
ATOM      0  HA  VAL C  60     -15.204  -6.267  -6.337  1.00  5.35           H   new
ATOM      0  HB  VAL C  60     -12.990  -7.067  -5.749  1.00  5.93           H   new
ATOM      0 HG11 VAL C  60     -12.646  -9.048  -4.332  1.00  6.76           H   new
ATOM      0 HG12 VAL C  60     -13.351  -7.688  -3.427  1.00  6.76           H   new
ATOM      0 HG13 VAL C  60     -14.380  -9.050  -3.929  1.00  6.76           H   new
ATOM      0 HG21 VAL C  60     -13.111  -9.339  -6.720  1.00  6.03           H   new
ATOM      0 HG22 VAL C  60     -14.871  -9.345  -6.458  1.00  6.03           H   new
ATOM      0 HG23 VAL C  60     -14.145  -8.183  -7.593  1.00  6.03           H   new
ATOM    826  N   THR C  61     -17.202  -7.682  -6.176  1.00  6.63           N
ATOM    827  CA  THR C  61     -18.382  -8.522  -6.149  1.00  7.54           C
ATOM    828  C   THR C  61     -18.028  -9.949  -6.571  1.00  8.48           C
ATOM    829  O   THR C  61     -17.597 -10.177  -7.707  1.00  8.83           O
ATOM    830  CB  THR C  61     -19.470  -7.947  -7.076  1.00  7.91           C
ATOM    831  OG1 THR C  61     -18.873  -7.488  -8.297  1.00  7.75           O
ATOM    832  CG2 THR C  61     -20.203  -6.795  -6.407  1.00  8.22           C
ATOM      0  H   THR C  61     -17.104  -7.123  -7.024  1.00  6.63           H   new
ATOM      0  HA  THR C  61     -18.768  -8.545  -5.130  1.00  7.54           H   new
ATOM      0  HB  THR C  61     -20.189  -8.738  -7.290  1.00  7.91           H   new
ATOM      0  HG1 THR C  61     -18.199  -8.134  -8.595  1.00  7.75           H   new
ATOM      0 HG21 THR C  61     -20.965  -6.407  -7.083  1.00  8.22           H   new
ATOM      0 HG22 THR C  61     -20.676  -7.148  -5.491  1.00  8.22           H   new
ATOM      0 HG23 THR C  61     -19.494  -6.003  -6.168  1.00  8.22           H   new
ATOM    840  N   PRO C  62     -18.164 -10.920  -5.650  1.00  9.10           N
ATOM    841  CA  PRO C  62     -17.846 -12.325  -5.923  1.00 10.15           C
ATOM    842  C   PRO C  62     -18.658 -12.880  -7.086  1.00 10.94           C
ATOM    843  O   PRO C  62     -19.872 -12.672  -7.169  1.00 11.04           O
ATOM    844  CB  PRO C  62     -18.213 -13.044  -4.621  1.00 10.68           C
ATOM    845  CG  PRO C  62     -18.191 -11.982  -3.579  1.00 10.16           C
ATOM    846  CD  PRO C  62     -18.632 -10.724  -4.269  1.00  9.07           C
ATOM      0  HA  PRO C  62     -16.803 -12.456  -6.210  1.00 10.15           H   new
ATOM      0  HB2 PRO C  62     -19.196 -13.510  -4.690  1.00 10.68           H   new
ATOM      0  HB3 PRO C  62     -17.500 -13.837  -4.393  1.00 10.68           H   new
ATOM      0  HG2 PRO C  62     -18.858 -12.230  -2.754  1.00 10.16           H   new
ATOM      0  HG3 PRO C  62     -17.192 -11.868  -3.158  1.00 10.16           H   new
ATOM      0  HD2 PRO C  62     -19.714 -10.597  -4.224  1.00  9.07           H   new
ATOM      0  HD3 PRO C  62     -18.188  -9.838  -3.815  1.00  9.07           H   new
ATOM    854  N   ALA C  63     -17.983 -13.578  -7.980  1.00 11.65           N
ATOM    855  CA  ALA C  63     -18.625 -14.131  -9.157  1.00 12.54           C
ATOM    856  C   ALA C  63     -18.984 -15.592  -8.925  1.00 13.45           C
ATOM    857  O   ALA C  63     -18.224 -16.323  -8.287  1.00 13.86           O
ATOM    858  CB  ALA C  63     -17.711 -13.991 -10.366  1.00 13.10           C
ATOM      0  H   ALA C  63     -16.985 -13.776  -7.912  1.00 11.65           H   new
ATOM      0  HA  ALA C  63     -19.544 -13.577  -9.350  1.00 12.54           H   new
ATOM      0  HB1 ALA C  63     -18.203 -14.409 -11.244  1.00 13.10           H   new
ATOM      0  HB2 ALA C  63     -17.495 -12.937 -10.539  1.00 13.10           H   new
ATOM      0  HB3 ALA C  63     -16.780 -14.527 -10.182  1.00 13.10           H   new
ATOM    864  N   PRO C  64     -20.146 -16.044  -9.426  1.00 13.89           N
ATOM    865  CA  PRO C  64     -20.578 -17.433  -9.283  1.00 14.85           C
ATOM    866  C   PRO C  64     -19.816 -18.366 -10.223  1.00 15.87           C
ATOM    867  O   PRO C  64     -20.396 -18.973 -11.125  1.00 16.55           O
ATOM    868  CB  PRO C  64     -22.071 -17.403  -9.649  1.00 15.07           C
ATOM    869  CG  PRO C  64     -22.419 -15.965  -9.878  1.00 14.50           C
ATOM    870  CD  PRO C  64     -21.132 -15.250 -10.169  1.00 13.64           C
ATOM      0  HA  PRO C  64     -20.391 -17.812  -8.278  1.00 14.85           H   new
ATOM      0  HB2 PRO C  64     -22.264 -17.997 -10.542  1.00 15.07           H   new
ATOM      0  HB3 PRO C  64     -22.676 -17.827  -8.848  1.00 15.07           H   new
ATOM      0  HG2 PRO C  64     -23.115 -15.863 -10.711  1.00 14.50           H   new
ATOM      0  HG3 PRO C  64     -22.907 -15.541  -9.001  1.00 14.50           H   new
ATOM      0  HD2 PRO C  64     -20.913 -15.229 -11.237  1.00 13.64           H   new
ATOM      0  HD3 PRO C  64     -21.158 -14.215  -9.828  1.00 13.64           H   new
ATOM    878  N   VAL C  65     -18.510 -18.452 -10.017  1.00 16.09           N
ATOM    879  CA  VAL C  65     -17.656 -19.302 -10.830  1.00 17.13           C
ATOM    880  C   VAL C  65     -16.449 -19.781 -10.021  1.00 17.88           C
ATOM    881  O   VAL C  65     -15.762 -18.988  -9.372  1.00 18.07           O
ATOM    882  CB  VAL C  65     -17.190 -18.569 -12.115  1.00 17.14           C
ATOM    883  CG1 VAL C  65     -16.456 -17.276 -11.784  1.00 17.22           C
ATOM    884  CG2 VAL C  65     -16.320 -19.474 -12.971  1.00 16.99           C
ATOM      0  H   VAL C  65     -18.016 -17.938  -9.287  1.00 16.09           H   new
ATOM      0  HA  VAL C  65     -18.241 -20.170 -11.133  1.00 17.13           H   new
ATOM      0  HB  VAL C  65     -18.082 -18.310 -12.686  1.00 17.14           H   new
ATOM      0 HG11 VAL C  65     -16.144 -16.788 -12.707  1.00 17.22           H   new
ATOM      0 HG12 VAL C  65     -17.120 -16.612 -11.230  1.00 17.22           H   new
ATOM      0 HG13 VAL C  65     -15.579 -17.501 -11.178  1.00 17.22           H   new
ATOM      0 HG21 VAL C  65     -16.006 -18.937 -13.866  1.00 16.99           H   new
ATOM      0 HG22 VAL C  65     -15.441 -19.777 -12.403  1.00 16.99           H   new
ATOM      0 HG23 VAL C  65     -16.888 -20.358 -13.259  1.00 16.99           H   new
ATOM    894  N   GLU C  66     -16.217 -21.085 -10.036  1.00 18.42           N
ATOM    895  CA  GLU C  66     -15.075 -21.663  -9.347  1.00 19.24           C
ATOM    896  C   GLU C  66     -13.891 -21.788 -10.295  1.00 19.89           C
ATOM    897  O   GLU C  66     -12.944 -20.983 -10.176  1.00 20.26           O
ATOM    898  CB  GLU C  66     -15.433 -23.031  -8.762  1.00 19.51           C
ATOM    899  CG  GLU C  66     -16.465 -22.968  -7.649  1.00 19.47           C
ATOM    900  CD  GLU C  66     -15.989 -22.162  -6.459  1.00 19.59           C
ATOM    901  OE1 GLU C  66     -15.237 -22.709  -5.623  1.00 19.84           O
ATOM    902  OE2 GLU C  66     -16.362 -20.977  -6.344  1.00 19.53           O
ATOM    903  OXT GLU C  66     -13.917 -22.679 -11.172  1.00 20.13           O
ATOM      0  H   GLU C  66     -16.806 -21.763 -10.519  1.00 18.42           H   new
ATOM      0  HA  GLU C  66     -14.798 -21.000  -8.528  1.00 19.24           H   new
ATOM      0  HB2 GLU C  66     -15.811 -23.670  -9.560  1.00 19.51           H   new
ATOM      0  HB3 GLU C  66     -14.527 -23.501  -8.379  1.00 19.51           H   new
ATOM      0  HG2 GLU C  66     -17.385 -22.529  -8.036  1.00 19.47           H   new
ATOM      0  HG3 GLU C  66     -16.706 -23.980  -7.325  1.00 19.47           H   new
TER     910      GLU C  66
HETATM  911 ZN    ZN C 101       4.628   7.440  -0.664  1.00  0.44          ZN
HETATM  912 ZN    ZN C 102      -3.392  -4.645   0.358  1.00  0.49          ZN