USER  MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=8
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 Single : C   1 GLY N   :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : C   3 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD Single : C   6 GLN     :      amide:sc= -0.0148  K(o=-0.015,f=-1)
USER  MOD Single : C   7 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : C   8 ASN     :      amide:sc=       0  K(o=0,f=-0.67)
USER  MOD Single : C  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  28 THR OG1 :   rot  -42:sc=   0.354
USER  MOD Single : C  29 HIS     :     no HD1:sc=  -0.251  X(o=-0.25,f=0)
USER  MOD Single : C  39 HIS     :     no HD1:sc= -0.0178  X(o=-0.018,f=0)
USER  MOD Single : C  44 THR OG1 :   rot -170:sc=  -0.998
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=  0.0153
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot -167:sc=    1.33
USER  MOD Single : C  61 THR OG1 :   rot   45:sc=   0.134
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY C   1      17.229 -17.355  10.533  1.00 20.38           N
ATOM      2  CA  GLY C   1      16.184 -16.674   9.734  1.00 19.89           C
ATOM      3  C   GLY C   1      16.766 -15.800   8.646  1.00 19.10           C
ATOM      4  O   GLY C   1      16.894 -16.230   7.497  1.00 18.87           O
ATOM      0  H1  GLY C   1      16.779 -17.941  11.265  1.00 20.38           H   new
ATOM      0  H2  GLY C   1      17.804 -17.958   9.911  1.00 20.38           H   new
ATOM      0  H3  GLY C   1      17.839 -16.644  10.985  1.00 20.38           H   new
ATOM      0  HA2 GLY C   1      15.530 -17.421   9.285  1.00 19.89           H   new
ATOM      0  HA3 GLY C   1      15.566 -16.065  10.394  1.00 19.89           H   new
ATOM     10  N   ALA C   2      17.134 -14.578   9.007  1.00 18.81           N
ATOM     11  CA  ALA C   2      17.631 -13.607   8.044  1.00 18.18           C
ATOM     12  C   ALA C   2      19.103 -13.847   7.721  1.00 17.47           C
ATOM     13  O   ALA C   2      19.993 -13.309   8.382  1.00 17.29           O
ATOM     14  CB  ALA C   2      17.428 -12.194   8.570  1.00 18.51           C
ATOM      0  H   ALA C   2      17.097 -14.235   9.967  1.00 18.81           H   new
ATOM      0  HA  ALA C   2      17.063 -13.728   7.121  1.00 18.18           H   new
ATOM      0  HB1 ALA C   2      17.804 -11.477   7.840  1.00 18.51           H   new
ATOM      0  HB2 ALA C   2      16.366 -12.018   8.738  1.00 18.51           H   new
ATOM      0  HB3 ALA C   2      17.969 -12.074   9.509  1.00 18.51           H   new
ATOM     20  N   MET C   3      19.348 -14.670   6.714  1.00 17.21           N
ATOM     21  CA  MET C   3      20.699 -14.906   6.221  1.00 16.67           C
ATOM     22  C   MET C   3      21.027 -13.873   5.157  1.00 16.02           C
ATOM     23  O   MET C   3      22.013 -13.140   5.266  1.00 15.80           O
ATOM     24  CB  MET C   3      20.815 -16.310   5.616  1.00 16.93           C
ATOM     25  CG  MET C   3      20.513 -17.434   6.590  1.00 17.23           C
ATOM     26  SD  MET C   3      20.597 -19.061   5.815  1.00 17.56           S
ATOM     27  CE  MET C   3      20.190 -20.118   7.202  1.00 18.06           C
ATOM      0  H   MET C   3      18.624 -15.190   6.218  1.00 17.21           H   new
ATOM      0  HA  MET C   3      21.398 -14.825   7.054  1.00 16.67           H   new
ATOM      0  HB2 MET C   3      20.134 -16.386   4.769  1.00 16.93           H   new
ATOM      0  HB3 MET C   3      21.824 -16.443   5.226  1.00 16.93           H   new
ATOM      0  HG2 MET C   3      21.220 -17.393   7.418  1.00 17.23           H   new
ATOM      0  HG3 MET C   3      19.519 -17.287   7.012  1.00 17.23           H   new
ATOM      0  HE1 MET C   3      20.201 -21.160   6.881  1.00 18.06           H   new
ATOM      0  HE2 MET C   3      20.923 -19.975   7.996  1.00 18.06           H   new
ATOM      0  HE3 MET C   3      19.198 -19.864   7.574  1.00 18.06           H   new
ATOM     37  N   GLU C   4      20.177 -13.817   4.141  1.00 15.89           N
ATOM     38  CA  GLU C   4      20.305 -12.856   3.056  1.00 15.45           C
ATOM     39  C   GLU C   4      21.655 -12.971   2.370  1.00 14.85           C
ATOM     40  O   GLU C   4      22.435 -12.014   2.319  1.00 14.73           O
ATOM     41  CB  GLU C   4      20.065 -11.432   3.560  1.00 15.88           C
ATOM     42  CG  GLU C   4      18.654 -11.226   4.080  1.00 16.30           C
ATOM     43  CD  GLU C   4      17.613 -11.745   3.112  1.00 16.61           C
ATOM     44  OE1 GLU C   4      17.526 -11.215   1.986  1.00 16.78           O
ATOM     45  OE2 GLU C   4      16.862 -12.670   3.481  1.00 16.83           O
ATOM      0  H   GLU C   4      19.375 -14.441   4.046  1.00 15.89           H   new
ATOM      0  HA  GLU C   4      19.540 -13.088   2.315  1.00 15.45           H   new
ATOM      0  HB2 GLU C   4      20.777 -11.207   4.354  1.00 15.88           H   new
ATOM      0  HB3 GLU C   4      20.256 -10.727   2.751  1.00 15.88           H   new
ATOM      0  HG2 GLU C   4      18.543 -11.733   5.038  1.00 16.30           H   new
ATOM      0  HG3 GLU C   4      18.485 -10.164   4.260  1.00 16.30           H   new
ATOM     52  N   GLY C   5      21.923 -14.156   1.852  1.00 14.66           N
ATOM     53  CA  GLY C   5      23.112 -14.370   1.059  1.00 14.26           C
ATOM     54  C   GLY C   5      22.773 -14.486  -0.407  1.00 13.87           C
ATOM     55  O   GLY C   5      23.635 -14.335  -1.269  1.00 13.77           O
ATOM      0  H   GLY C   5      21.333 -14.980   1.968  1.00 14.66           H   new
ATOM      0  HA2 GLY C   5      23.807 -13.544   1.210  1.00 14.26           H   new
ATOM      0  HA3 GLY C   5      23.617 -15.277   1.392  1.00 14.26           H   new
ATOM     59  N   GLN C   6      21.501 -14.745  -0.688  1.00 13.82           N
ATOM     60  CA  GLN C   6      21.028 -14.884  -2.058  1.00 13.64           C
ATOM     61  C   GLN C   6      19.863 -13.938  -2.328  1.00 12.68           C
ATOM     62  O   GLN C   6      19.094 -14.135  -3.270  1.00 12.45           O
ATOM     63  CB  GLN C   6      20.605 -16.329  -2.333  1.00 14.30           C
ATOM     64  CG  GLN C   6      21.764 -17.314  -2.348  1.00 14.92           C
ATOM     65  CD  GLN C   6      21.302 -18.757  -2.372  1.00 15.49           C
ATOM     66  OE1 GLN C   6      20.251 -19.093  -1.829  1.00 15.79           O
ATOM     67  NE2 GLN C   6      22.079 -19.619  -3.003  1.00 15.80           N
ATOM      0  H   GLN C   6      20.776 -14.863   0.020  1.00 13.82           H   new
ATOM      0  HA  GLN C   6      21.848 -14.623  -2.727  1.00 13.64           H   new
ATOM      0  HB2 GLN C   6      19.887 -16.639  -1.574  1.00 14.30           H   new
ATOM      0  HB3 GLN C   6      20.092 -16.371  -3.294  1.00 14.30           H   new
ATOM      0  HG2 GLN C   6      22.388 -17.122  -3.221  1.00 14.92           H   new
ATOM      0  HG3 GLN C   6      22.387 -17.150  -1.468  1.00 14.92           H   new
ATOM      0 HE21 GLN C   6      22.943 -19.301  -3.441  1.00 15.80           H   new
ATOM      0 HE22 GLN C   6      21.814 -20.603  -3.052  1.00 15.80           H   new
ATOM     76  N   GLN C   7      19.762 -12.906  -1.488  1.00 12.28           N
ATOM     77  CA  GLN C   7      18.703 -11.901  -1.579  1.00 11.51           C
ATOM     78  C   GLN C   7      17.318 -12.545  -1.495  1.00 10.75           C
ATOM     79  O   GLN C   7      16.634 -12.724  -2.504  1.00 10.49           O
ATOM     80  CB  GLN C   7      18.845 -11.085  -2.870  1.00 11.80           C
ATOM     81  CG  GLN C   7      17.874  -9.918  -2.969  1.00 12.20           C
ATOM     82  CD  GLN C   7      18.078  -9.098  -4.225  1.00 12.74           C
ATOM     83  OE1 GLN C   7      17.486  -9.377  -5.266  1.00 12.97           O
ATOM     84  NE2 GLN C   7      18.916  -8.077  -4.136  1.00 13.13           N
ATOM      0  H   GLN C   7      20.416 -12.744  -0.722  1.00 12.28           H   new
ATOM      0  HA  GLN C   7      18.807 -11.226  -0.730  1.00 11.51           H   new
ATOM      0  HB2 GLN C   7      19.864 -10.704  -2.938  1.00 11.80           H   new
ATOM      0  HB3 GLN C   7      18.694 -11.745  -3.724  1.00 11.80           H   new
ATOM      0  HG2 GLN C   7      16.852 -10.297  -2.949  1.00 12.20           H   new
ATOM      0  HG3 GLN C   7      17.993  -9.276  -2.096  1.00 12.20           H   new
ATOM      0 HE21 GLN C   7      19.387  -7.879  -3.253  1.00 13.13           H   new
ATOM      0 HE22 GLN C   7      19.090  -7.488  -4.950  1.00 13.13           H   new
ATOM     93  N   ASN C   8      16.901 -12.885  -0.283  1.00 10.61           N
ATOM     94  CA  ASN C   8      15.595 -13.495  -0.078  1.00 10.12           C
ATOM     95  C   ASN C   8      14.574 -12.423   0.268  1.00  9.04           C
ATOM     96  O   ASN C   8      13.515 -12.332  -0.360  1.00  8.88           O
ATOM     97  CB  ASN C   8      15.649 -14.545   1.033  1.00 10.85           C
ATOM     98  CG  ASN C   8      14.339 -15.298   1.181  1.00 11.31           C
ATOM     99  OD1 ASN C   8      13.610 -15.501   0.208  1.00 11.47           O
ATOM    100  ND2 ASN C   8      14.028 -15.715   2.398  1.00 11.74           N
ATOM      0  H   ASN C   8      17.445 -12.750   0.569  1.00 10.61           H   new
ATOM      0  HA  ASN C   8      15.299 -13.992  -1.002  1.00 10.12           H   new
ATOM      0  HB2 ASN C   8      16.450 -15.253   0.821  1.00 10.85           H   new
ATOM      0  HB3 ASN C   8      15.894 -14.059   1.977  1.00 10.85           H   new
ATOM      0 HD21 ASN C   8      13.158 -16.224   2.556  1.00 11.74           H   new
ATOM      0 HD22 ASN C   8      14.658 -15.527   3.178  1.00 11.74           H   new
ATOM    107  N   LEU C   9      14.910 -11.597   1.250  1.00  8.49           N
ATOM    108  CA  LEU C   9      14.061 -10.485   1.638  1.00  7.55           C
ATOM    109  C   LEU C   9      14.066  -9.432   0.538  1.00  6.52           C
ATOM    110  O   LEU C   9      15.096  -8.812   0.259  1.00  6.53           O
ATOM    111  CB  LEU C   9      14.549  -9.873   2.954  1.00  7.88           C
ATOM    112  CG  LEU C   9      13.695  -8.727   3.499  1.00  8.24           C
ATOM    113  CD1 LEU C   9      12.321  -9.229   3.912  1.00  8.67           C
ATOM    114  CD2 LEU C   9      14.396  -8.050   4.667  1.00  8.72           C
ATOM      0  H   LEU C   9      15.769 -11.679   1.793  1.00  8.49           H   new
ATOM      0  HA  LEU C   9      13.044 -10.850   1.784  1.00  7.55           H   new
ATOM      0  HB2 LEU C   9      14.594 -10.660   3.707  1.00  7.88           H   new
ATOM      0  HB3 LEU C   9      15.567  -9.510   2.811  1.00  7.88           H   new
ATOM      0  HG  LEU C   9      13.561  -7.991   2.706  1.00  8.24           H   new
ATOM      0 HD11 LEU C   9      11.730  -8.398   4.297  1.00  8.67           H   new
ATOM      0 HD12 LEU C   9      11.817  -9.663   3.048  1.00  8.67           H   new
ATOM      0 HD13 LEU C   9      12.429  -9.987   4.688  1.00  8.67           H   new
ATOM      0 HD21 LEU C   9      13.775  -7.237   5.043  1.00  8.72           H   new
ATOM      0 HD22 LEU C   9      14.562  -8.777   5.462  1.00  8.72           H   new
ATOM      0 HD23 LEU C   9      15.354  -7.650   4.334  1.00  8.72           H   new
ATOM    126  N   ALA C  10      12.920  -9.244  -0.092  1.00  5.93           N
ATOM    127  CA  ALA C  10      12.807  -8.313  -1.201  1.00  5.15           C
ATOM    128  C   ALA C  10      12.669  -6.885  -0.694  1.00  4.09           C
ATOM    129  O   ALA C  10      11.894  -6.621   0.227  1.00  3.79           O
ATOM    130  CB  ALA C  10      11.623  -8.682  -2.083  1.00  5.31           C
ATOM      0  H   ALA C  10      12.053  -9.725   0.146  1.00  5.93           H   new
ATOM      0  HA  ALA C  10      13.718  -8.376  -1.797  1.00  5.15           H   new
ATOM      0  HB1 ALA C  10      11.551  -7.975  -2.910  1.00  5.31           H   new
ATOM      0  HB2 ALA C  10      11.763  -9.689  -2.477  1.00  5.31           H   new
ATOM      0  HB3 ALA C  10      10.706  -8.647  -1.495  1.00  5.31           H   new
ATOM    136  N   PRO C  11      13.437  -5.951  -1.275  1.00  4.05           N
ATOM    137  CA  PRO C  11      13.361  -4.526  -0.932  1.00  3.68           C
ATOM    138  C   PRO C  11      12.074  -3.884  -1.448  1.00  2.90           C
ATOM    139  O   PRO C  11      12.101  -2.920  -2.215  1.00  3.43           O
ATOM    140  CB  PRO C  11      14.584  -3.927  -1.628  1.00  4.66           C
ATOM    141  CG  PRO C  11      14.846  -4.835  -2.778  1.00  5.25           C
ATOM    142  CD  PRO C  11      14.446  -6.211  -2.320  1.00  5.02           C
ATOM      0  HA  PRO C  11      13.351  -4.359   0.145  1.00  3.68           H   new
ATOM      0  HB2 PRO C  11      14.389  -2.908  -1.964  1.00  4.66           H   new
ATOM      0  HB3 PRO C  11      15.440  -3.883  -0.955  1.00  4.66           H   new
ATOM      0  HG2 PRO C  11      14.271  -4.532  -3.653  1.00  5.25           H   new
ATOM      0  HG3 PRO C  11      15.898  -4.809  -3.064  1.00  5.25           H   new
ATOM      0  HD2 PRO C  11      14.033  -6.801  -3.138  1.00  5.02           H   new
ATOM      0  HD3 PRO C  11      15.298  -6.765  -1.926  1.00  5.02           H   new
ATOM    150  N   GLY C  12      10.947  -4.432  -1.022  1.00  2.28           N
ATOM    151  CA  GLY C  12       9.664  -3.953  -1.481  1.00  2.25           C
ATOM    152  C   GLY C  12       9.023  -2.988  -0.508  1.00  1.93           C
ATOM    153  O   GLY C  12       7.815  -2.763  -0.558  1.00  2.19           O
ATOM      0  H   GLY C  12      10.900  -5.207  -0.360  1.00  2.28           H   new
ATOM      0  HA2 GLY C  12       9.787  -3.462  -2.446  1.00  2.25           H   new
ATOM      0  HA3 GLY C  12       8.998  -4.802  -1.638  1.00  2.25           H   new
ATOM    157  N   ALA C  13       9.820  -2.416   0.381  1.00  1.67           N
ATOM    158  CA  ALA C  13       9.303  -1.441   1.322  1.00  1.63           C
ATOM    159  C   ALA C  13       9.627  -0.035   0.842  1.00  1.27           C
ATOM    160  O   ALA C  13      10.469   0.659   1.415  1.00  1.33           O
ATOM    161  CB  ALA C  13       9.874  -1.685   2.712  1.00  2.07           C
ATOM      0  H   ALA C  13      10.818  -2.609   0.469  1.00  1.67           H   new
ATOM      0  HA  ALA C  13       8.220  -1.547   1.381  1.00  1.63           H   new
ATOM      0  HB1 ALA C  13       9.475  -0.944   3.405  1.00  2.07           H   new
ATOM      0  HB2 ALA C  13       9.596  -2.684   3.049  1.00  2.07           H   new
ATOM      0  HB3 ALA C  13      10.960  -1.602   2.679  1.00  2.07           H   new
ATOM    167  N   ARG C  14       8.934   0.379  -0.209  1.00  1.06           N
ATOM    168  CA  ARG C  14       9.121   1.694  -0.806  1.00  0.77           C
ATOM    169  C   ARG C  14       7.814   2.153  -1.434  1.00  0.65           C
ATOM    170  O   ARG C  14       7.190   1.405  -2.183  1.00  0.73           O
ATOM    171  CB  ARG C  14      10.226   1.657  -1.873  1.00  0.75           C
ATOM    172  CG  ARG C  14      11.599   1.302  -1.325  1.00  1.01           C
ATOM    173  CD  ARG C  14      12.633   1.128  -2.423  1.00  1.12           C
ATOM    174  NE  ARG C  14      13.905   0.653  -1.881  1.00  1.74           N
ATOM    175  CZ  ARG C  14      14.921   0.209  -2.620  1.00  2.20           C
ATOM    176  NH1 ARG C  14      14.841   0.205  -3.945  1.00  2.19           N
ATOM    177  NH2 ARG C  14      16.024  -0.229  -2.027  1.00  3.18           N
ATOM      0  H   ARG C  14       8.225  -0.189  -0.673  1.00  1.06           H   new
ATOM      0  HA  ARG C  14       9.421   2.393  -0.026  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14       9.953   0.932  -2.640  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14      10.280   2.631  -2.360  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14      11.928   2.084  -0.641  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      11.529   0.381  -0.746  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      12.264   0.420  -3.165  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      12.785   2.077  -2.936  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      14.023   0.662  -0.868  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.997   0.544  -4.406  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      15.624  -0.137  -4.502  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      16.092  -0.225  -1.009  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      16.804  -0.570  -2.589  1.00  3.18           H   new
ATOM    191  N   CYS C  15       7.395   3.368  -1.111  1.00  0.53           N
ATOM    192  CA  CYS C  15       6.180   3.934  -1.676  1.00  0.46           C
ATOM    193  C   CYS C  15       6.324   4.056  -3.183  1.00  0.42           C
ATOM    194  O   CYS C  15       7.124   4.849  -3.664  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.906   5.306  -1.051  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.534   6.234  -1.788  1.00  0.48           S
ATOM      0  H   CYS C  15       7.881   3.982  -0.458  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       5.338   3.277  -1.457  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.701   5.169   0.011  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.812   5.908  -1.126  1.00  0.46           H   new
ATOM    201  N   GLY C  16       5.544   3.270  -3.918  1.00  0.56           N
ATOM    202  CA  GLY C  16       5.655   3.235  -5.369  1.00  0.65           C
ATOM    203  C   GLY C  16       5.430   4.589  -6.013  1.00  0.54           C
ATOM    204  O   GLY C  16       5.902   4.850  -7.121  1.00  0.61           O
ATOM      0  H   GLY C  16       4.831   2.651  -3.533  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       6.644   2.868  -5.643  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       4.930   2.525  -5.766  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.716   5.454  -5.310  1.00  0.52           N
ATOM    209  CA  VAL C  17       4.428   6.792  -5.803  1.00  0.65           C
ATOM    210  C   VAL C  17       5.629   7.721  -5.612  1.00  0.66           C
ATOM    211  O   VAL C  17       5.870   8.615  -6.422  1.00  0.86           O
ATOM    212  CB  VAL C  17       3.200   7.388  -5.082  1.00  0.78           C
ATOM    213  CG1 VAL C  17       2.823   8.740  -5.667  1.00  1.04           C
ATOM    214  CG2 VAL C  17       2.022   6.428  -5.149  1.00  0.94           C
ATOM      0  H   VAL C  17       4.323   5.252  -4.391  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       4.214   6.708  -6.868  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       3.465   7.538  -4.035  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       1.955   9.135  -5.140  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       3.660   9.430  -5.557  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       2.584   8.625  -6.724  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       1.166   6.866  -4.635  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.763   6.242  -6.191  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.291   5.487  -4.668  1.00  0.94           H   new
ATOM    224  N   CYS C  18       6.394   7.492  -4.552  1.00  0.55           N
ATOM    225  CA  CYS C  18       7.498   8.382  -4.205  1.00  0.70           C
ATOM    226  C   CYS C  18       8.859   7.767  -4.529  1.00  0.68           C
ATOM    227  O   CYS C  18       9.714   8.412  -5.134  1.00  0.84           O
ATOM    228  CB  CYS C  18       7.437   8.746  -2.720  1.00  0.82           C
ATOM    229  SG  CYS C  18       5.971   9.688  -2.251  1.00  0.82           S
ATOM      0  H   CYS C  18       6.272   6.701  -3.919  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       7.388   9.282  -4.810  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       7.471   7.830  -2.131  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       8.325   9.324  -2.462  1.00  0.82           H   new
ATOM    234  N   GLY C  19       9.046   6.519  -4.128  1.00  0.60           N
ATOM    235  CA  GLY C  19      10.337   5.875  -4.261  1.00  0.67           C
ATOM    236  C   GLY C  19      10.982   5.643  -2.910  1.00  0.68           C
ATOM    237  O   GLY C  19      11.825   4.760  -2.755  1.00  0.77           O
ATOM      0  H   GLY C  19       8.321   5.936  -3.710  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19      10.218   4.922  -4.777  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.991   6.492  -4.877  1.00  0.67           H   new
ATOM    241  N   ASP C  20      10.568   6.436  -1.928  1.00  0.70           N
ATOM    242  CA  ASP C  20      11.124   6.360  -0.580  1.00  0.70           C
ATOM    243  C   ASP C  20      10.346   5.372   0.278  1.00  0.52           C
ATOM    244  O   ASP C  20       9.153   5.148   0.057  1.00  0.44           O
ATOM    245  CB  ASP C  20      11.092   7.737   0.090  1.00  0.80           C
ATOM    246  CG  ASP C  20      11.848   8.790  -0.690  1.00  1.30           C
ATOM    247  OD1 ASP C  20      13.061   8.955  -0.445  1.00  1.40           O
ATOM    248  OD2 ASP C  20      11.237   9.449  -1.559  1.00  2.10           O
ATOM      0  H   ASP C  20       9.843   7.145  -2.041  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      12.155   6.019  -0.668  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      10.056   8.054   0.208  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20      11.517   7.658   1.091  1.00  0.80           H   new
ATOM    253  N   GLY C  21      11.025   4.791   1.256  1.00  0.55           N
ATOM    254  CA  GLY C  21      10.377   3.876   2.175  1.00  0.51           C
ATOM    255  C   GLY C  21      10.227   4.479   3.558  1.00  0.45           C
ATOM    256  O   GLY C  21       9.820   3.800   4.500  1.00  0.51           O
ATOM      0  H   GLY C  21      12.019   4.938   1.431  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       9.394   3.607   1.787  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      10.957   2.955   2.241  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.567   5.756   3.675  1.00  0.44           N
ATOM    261  CA  THR C  22      10.445   6.472   4.936  1.00  0.46           C
ATOM    262  C   THR C  22       8.977   6.708   5.281  1.00  0.39           C
ATOM    263  O   THR C  22       8.219   7.215   4.452  1.00  0.41           O
ATOM    264  CB  THR C  22      11.175   7.828   4.868  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.532   7.630   4.444  1.00  1.06           O
ATOM    266  CG2 THR C  22      11.163   8.528   6.221  1.00  0.90           C
ATOM      0  H   THR C  22      10.931   6.319   2.906  1.00  0.44           H   new
ATOM      0  HA  THR C  22      10.903   5.858   5.711  1.00  0.46           H   new
ATOM      0  HB  THR C  22      10.651   8.458   4.149  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.991   8.495   4.401  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      11.685   9.482   6.142  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      10.133   8.703   6.531  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      11.663   7.901   6.960  1.00  0.90           H   new
ATOM    274  N   ASP C  23       8.586   6.321   6.498  1.00  0.41           N
ATOM    275  CA  ASP C  23       7.209   6.491   6.977  1.00  0.45           C
ATOM    276  C   ASP C  23       6.225   5.781   6.062  1.00  0.38           C
ATOM    277  O   ASP C  23       5.133   6.282   5.794  1.00  0.42           O
ATOM    278  CB  ASP C  23       6.828   7.975   7.085  1.00  0.59           C
ATOM    279  CG  ASP C  23       7.502   8.680   8.243  1.00  1.39           C
ATOM    280  OD1 ASP C  23       7.249   8.300   9.407  1.00  1.75           O
ATOM    281  OD2 ASP C  23       8.286   9.619   7.996  1.00  2.23           O
ATOM      0  H   ASP C  23       9.210   5.884   7.176  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       7.160   6.047   7.971  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       7.093   8.480   6.156  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       5.747   8.059   7.196  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.607   4.604   5.593  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.798   3.885   4.630  1.00  0.31           C
ATOM    288  C   VAL C  24       4.792   2.982   5.343  1.00  0.32           C
ATOM    289  O   VAL C  24       5.046   2.499   6.448  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.684   3.064   3.660  1.00  0.36           C
ATOM    291  CG1 VAL C  24       7.164   1.766   4.289  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.964   2.808   2.356  1.00  1.16           C
ATOM      0  H   VAL C  24       7.469   4.130   5.864  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.246   4.616   4.039  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.570   3.661   3.446  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.782   1.222   3.574  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.751   1.989   5.180  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       6.304   1.155   4.564  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       6.607   2.230   1.693  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       5.048   2.250   2.550  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.717   3.759   1.884  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.639   2.795   4.723  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.584   1.978   5.293  1.00  0.30           C
ATOM    304  C   LEU C  25       2.349   0.746   4.431  1.00  0.30           C
ATOM    305  O   LEU C  25       2.551   0.785   3.218  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.297   2.796   5.413  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.371   3.993   6.363  1.00  0.37           C
ATOM    308  CD1 LEU C  25       0.092   4.811   6.286  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.621   3.532   7.790  1.00  0.48           C
ATOM      0  H   LEU C  25       3.410   3.203   3.817  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.888   1.652   6.288  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       1.021   3.156   4.422  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.496   2.136   5.747  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       2.206   4.623   6.056  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25       0.161   5.659   6.968  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.047   5.174   5.268  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.756   4.187   6.567  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.670   4.399   8.449  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.809   2.879   8.109  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.564   2.987   7.836  1.00  0.48           H   new
ATOM    321  N   ARG C  26       1.950  -0.346   5.065  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.686  -1.599   4.366  1.00  0.33           C
ATOM    323  C   ARG C  26       0.233  -2.001   4.568  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.350  -1.703   5.610  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.588  -2.729   4.889  1.00  0.42           C
ATOM    326  CG  ARG C  26       4.073  -2.581   4.579  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.734  -1.499   5.420  1.00  0.95           C
ATOM    328  NE  ARG C  26       6.191  -1.626   5.421  1.00  1.64           N
ATOM    329  CZ  ARG C  26       6.997  -1.030   6.303  1.00  2.21           C
ATOM    330  NH1 ARG C  26       6.502  -0.212   7.226  1.00  2.24           N
ATOM    331  NH2 ARG C  26       8.303  -1.253   6.258  1.00  3.18           N
ATOM      0  H   ARG C  26       1.800  -0.391   6.073  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       1.895  -1.443   3.308  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.466  -2.797   5.970  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.239  -3.672   4.469  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.575  -3.532   4.755  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.199  -2.345   3.522  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.455  -0.518   5.035  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       4.363  -1.557   6.443  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       6.619  -2.208   4.701  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       5.498  -0.035   7.265  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       7.126   0.239   7.895  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       8.690  -1.878   5.551  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       8.921  -0.799   6.930  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.359  -2.673   3.584  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.705  -3.194   3.763  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.680  -4.330   4.783  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.766  -5.146   4.788  1.00  0.30           O
ATOM    349  CB  CYS C  27      -2.328  -3.689   2.441  1.00  0.29           C
ATOM    350  SG  CYS C  27      -4.081  -4.133   2.651  1.00  0.37           S
ATOM      0  H   CYS C  27       0.063  -2.865   2.675  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.328  -2.376   4.124  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -2.237  -2.912   1.682  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.774  -4.555   2.079  1.00  0.29           H   new
ATOM    355  N   THR C  28      -2.675  -4.372   5.655  1.00  0.25           N
ATOM    356  CA  THR C  28      -2.761  -5.425   6.655  1.00  0.31           C
ATOM    357  C   THR C  28      -3.451  -6.666   6.074  1.00  0.33           C
ATOM    358  O   THR C  28      -3.710  -7.643   6.775  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.506  -4.941   7.915  1.00  0.39           C
ATOM    360  OG1 THR C  28      -3.360  -5.886   8.986  1.00  0.75           O
ATOM    361  CG2 THR C  28      -4.972  -4.744   7.608  1.00  0.72           C
ATOM      0  H   THR C  28      -3.433  -3.691   5.691  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -1.744  -5.691   6.944  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -3.071  -3.991   8.225  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -3.458  -6.796   8.635  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -5.489  -4.402   8.505  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -5.082  -3.999   6.820  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -5.405  -5.688   7.278  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -3.757  -6.611   4.783  1.00  0.31           N
ATOM    370  CA  HIS C  29      -4.351  -7.751   4.091  1.00  0.36           C
ATOM    371  C   HIS C  29      -3.557  -8.092   2.836  1.00  0.34           C
ATOM    372  O   HIS C  29      -3.802  -9.112   2.194  1.00  0.40           O
ATOM    373  CB  HIS C  29      -5.805  -7.465   3.706  1.00  0.41           C
ATOM    374  CG  HIS C  29      -6.740  -7.356   4.873  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -7.182  -8.443   5.591  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.315  -6.274   5.446  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -7.988  -8.035   6.553  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.087  -6.721   6.488  1.00  1.43           N
ATOM      0  H   HIS C  29      -3.605  -5.792   4.195  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -4.326  -8.599   4.776  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -5.842  -6.536   3.137  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.157  -8.258   3.046  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -7.189  -5.246   5.139  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29      -8.483  -8.670   7.273  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -8.645  -6.135   7.109  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -2.611  -7.227   2.492  1.00  0.29           N
ATOM    388  CA  CYS C  30      -1.803  -7.404   1.289  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.390  -6.910   1.532  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.080  -6.381   2.593  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.390  -6.608   0.124  1.00  0.42           C
ATOM    392  SG  CYS C  30      -4.173  -6.744  -0.047  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.383  -6.392   3.031  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -1.797  -8.466   1.045  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.129  -5.557   0.250  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -1.922  -6.944  -0.801  1.00  0.42           H   new
ATOM    397  N   ALA C  31       0.452  -7.064   0.536  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.784  -6.508   0.576  1.00  0.37           C
ATOM    399  C   ALA C  31       1.828  -5.280  -0.313  1.00  0.36           C
ATOM    400  O   ALA C  31       1.686  -5.383  -1.534  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.811  -7.535   0.127  1.00  0.47           C
ATOM      0  H   ALA C  31       0.234  -7.575  -0.320  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       2.029  -6.225   1.600  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.807  -7.094   0.165  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.772  -8.401   0.787  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.591  -7.847  -0.894  1.00  0.47           H   new
ATOM    407  N   ALA C  32       2.005  -4.123   0.302  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.057  -2.867  -0.426  1.00  0.35           C
ATOM    409  C   ALA C  32       2.625  -1.769   0.449  1.00  0.33           C
ATOM    410  O   ALA C  32       2.001  -1.374   1.429  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.668  -2.473  -0.910  1.00  0.37           C
ATOM      0  H   ALA C  32       2.116  -4.028   1.311  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.708  -3.002  -1.290  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.726  -1.530  -1.453  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.279  -3.249  -1.570  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.003  -2.358  -0.054  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.812  -1.302   0.108  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.430  -0.193   0.812  1.00  0.38           C
ATOM    419  C   ALA C  33       4.094   1.116   0.113  1.00  0.37           C
ATOM    420  O   ALA C  33       4.515   1.357  -1.019  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.931  -0.396   0.895  1.00  0.45           C
ATOM      0  H   ALA C  33       4.371  -1.677  -0.658  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       4.038  -0.150   1.828  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.383   0.442   1.425  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       6.144  -1.321   1.431  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.346  -0.455  -0.111  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.314   1.943   0.783  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.906   3.226   0.242  1.00  0.36           C
ATOM    429  C   PHE C  34       2.604   4.190   1.375  1.00  0.32           C
ATOM    430  O   PHE C  34       2.344   3.772   2.499  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.666   3.060  -0.646  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.459   2.516   0.074  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.248   1.149   0.164  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.465   3.371   0.652  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.860   0.647   0.818  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.576   2.875   1.306  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.773   1.511   1.390  1.00  0.61           C
ATOM      0  H   PHE C  34       2.947   1.746   1.714  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.719   3.626  -0.363  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.411   4.027  -1.079  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.912   2.395  -1.474  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.958   0.469  -0.282  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.315   4.439   0.591  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -1.012  -0.420   0.882  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.289   3.553   1.751  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.640   1.120   1.902  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.657   5.477   1.087  1.00  0.32           N
ATOM    448  CA  HIS C  35       2.222   6.473   2.052  1.00  0.32           C
ATOM    449  C   HIS C  35       0.729   6.682   1.876  1.00  0.33           C
ATOM    450  O   HIS C  35       0.255   6.705   0.737  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.954   7.811   1.869  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.450   7.716   1.884  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.213   8.336   0.927  1.00  0.42           N
ATOM    454  CD2 HIS C  35       5.267   7.080   2.752  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.469   8.067   1.223  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.556   7.306   2.328  1.00  0.42           N
ATOM      0  H   HIS C  35       2.993   5.856   0.202  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.454   6.112   3.054  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.642   8.254   0.923  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.639   8.492   2.659  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.966   6.504   3.614  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.318   8.413   0.652  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.411   6.963   2.766  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.010   6.797   2.970  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.468   6.911   2.903  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.900   7.973   1.890  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.696   7.693   0.988  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.043   7.241   4.282  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.539   7.331   4.296  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.293   8.468   4.350  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.462   6.239   4.241  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.630   8.149   4.334  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.758   6.786   4.267  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.316   4.850   4.174  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -6.901   5.991   4.226  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.450   4.063   4.133  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.728   4.635   4.158  1.00  0.68           C
ATOM      0  H   TRP C  36       0.371   6.814   3.916  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -1.859   5.948   2.573  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.725   6.478   4.992  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.626   8.188   4.624  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.897   9.472   4.398  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.400   8.817   4.367  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.334   4.401   4.155  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -7.888   6.429   4.247  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.350   2.989   4.081  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.595   3.993   4.123  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.323   9.166   2.013  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.704  10.313   1.184  1.00  0.44           C
ATOM    490  C   ARG C  37      -1.318  10.116  -0.284  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.721  10.890  -1.153  1.00  0.51           O
ATOM    492  CB  ARG C  37      -1.039  11.582   1.714  1.00  0.61           C
ATOM    493  CG  ARG C  37      -1.336  11.871   3.177  1.00  0.70           C
ATOM    494  CD  ARG C  37      -0.517  13.046   3.679  1.00  1.05           C
ATOM    495  NE  ARG C  37      -0.642  13.231   5.125  1.00  1.72           N
ATOM    496  CZ  ARG C  37       0.243  13.899   5.866  1.00  2.32           C
ATOM    497  NH1 ARG C  37       1.296  14.473   5.297  1.00  2.37           N
ATOM    498  NH2 ARG C  37       0.068  13.999   7.175  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.582   9.367   2.685  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.789  10.405   1.237  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.040  11.497   1.583  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -1.367  12.430   1.113  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -2.398  12.085   3.300  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -1.117  10.988   3.777  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       0.531  12.891   3.424  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37      -0.838  13.954   3.169  1.00  1.05           H   new
ATOM      0  HE  ARG C  37      -1.453  12.826   5.593  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       1.431  14.404   4.288  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       1.970  14.983   5.868  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37      -0.743  13.565   7.616  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       0.744  14.510   7.742  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.533   9.089  -0.560  1.00  0.37           N
ATOM    513  CA  CYS C  38      -0.087   8.817  -1.916  1.00  0.36           C
ATOM    514  C   CYS C  38      -1.065   7.898  -2.637  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.100   7.852  -3.864  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.320   8.229  -1.884  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.479   9.301  -1.012  1.00  0.54           S
ATOM      0  H   CYS C  38      -0.191   8.429   0.138  1.00  0.37           H   new
ATOM      0  HA  CYS C  38      -0.056   9.751  -2.477  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.294   7.253  -1.400  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.670   8.070  -2.904  1.00  0.34           H   new
ATOM    522  N   HIS C  39      -1.853   7.162  -1.868  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.904   6.326  -2.435  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.262   6.995  -2.274  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.118   6.907  -3.150  1.00  0.61           O
ATOM    526  CB  HIS C  39      -2.935   4.952  -1.768  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.088   3.916  -2.438  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.368   2.571  -2.357  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.961   4.018  -3.185  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.453   1.888  -3.012  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.584   2.739  -3.528  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.786   7.126  -0.851  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.686   6.197  -3.495  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.607   5.057  -0.734  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -3.966   4.598  -1.742  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.454   4.931  -3.459  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -1.418   0.813  -3.111  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.231   2.490  -4.088  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.448   7.666  -1.149  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.723   8.283  -0.824  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.533   9.766  -0.543  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.468  10.181  -0.091  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.331   7.608   0.410  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.437   6.115   0.292  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -7.556   5.533  -0.282  1.00  0.71           C
ATOM    547  CD2 PHE C  40      -5.423   5.296   0.755  1.00  0.55           C
ATOM    548  CE1 PHE C  40      -7.661   4.161  -0.393  1.00  0.80           C
ATOM    549  CE2 PHE C  40      -5.523   3.924   0.647  1.00  0.66           C
ATOM    550  CZ  PHE C  40      -6.619   3.355   0.075  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.726   7.798  -0.441  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.394   8.161  -1.674  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.725   7.852   1.282  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.324   8.021   0.586  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -8.356   6.160  -0.647  1.00  0.71           H   new
ATOM      0  HD2 PHE C  40      -4.545   5.735   1.205  1.00  0.55           H   new
ATOM      0  HE1 PHE C  40      -8.539   3.715  -0.837  1.00  0.80           H   new
ATOM      0  HE2 PHE C  40      -4.726   3.297   1.019  1.00  0.66           H   new
ATOM      0  HZ  PHE C  40      -6.684   2.281  -0.017  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.555  10.586  -0.829  1.00  0.89           N
ATOM    561  CA  PRO C  41      -6.554  12.001  -0.464  1.00  1.04           C
ATOM    562  C   PRO C  41      -6.382  12.179   1.037  1.00  1.30           C
ATOM    563  O   PRO C  41      -6.893  11.388   1.833  1.00  1.93           O
ATOM    564  CB  PRO C  41      -7.934  12.504  -0.910  1.00  1.81           C
ATOM    565  CG  PRO C  41      -8.749  11.278  -1.130  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.780  10.210  -1.540  1.00  1.43           C
ATOM      0  HA  PRO C  41      -5.734  12.547  -0.930  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -8.383  13.144  -0.150  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -7.861  13.096  -1.822  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -9.282  10.995  -0.222  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -9.500  11.442  -1.903  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -8.126   9.218  -1.250  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -7.631  10.193  -2.620  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -5.665  13.228   1.409  1.00  1.64           N
ATOM    575  CA  ALA C  42      -5.328  13.493   2.804  1.00  2.34           C
ATOM    576  C   ALA C  42      -6.571  13.741   3.655  1.00  1.92           C
ATOM    577  O   ALA C  42      -6.504  13.710   4.885  1.00  2.41           O
ATOM    578  CB  ALA C  42      -4.379  14.678   2.896  1.00  3.30           C
ATOM      0  H   ALA C  42      -5.299  13.920   0.755  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -4.836  12.604   3.199  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -4.134  14.867   3.941  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -3.466  14.457   2.343  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -4.856  15.560   2.470  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -7.697  14.001   2.998  1.00  1.37           N
ATOM    585  CA  GLY C  43      -8.951  14.160   3.706  1.00  1.46           C
ATOM    586  C   GLY C  43      -9.485  12.839   4.228  1.00  1.21           C
ATOM    587  O   GLY C  43     -10.246  12.807   5.197  1.00  1.41           O
ATOM      0  H   GLY C  43      -7.762  14.104   1.985  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -8.811  14.848   4.539  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43      -9.688  14.610   3.041  1.00  1.46           H   new
ATOM    591  N   THR C  44      -9.079  11.747   3.590  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.504  10.419   3.997  1.00  0.76           C
ATOM    593  C   THR C  44      -8.748   9.991   5.254  1.00  0.65           C
ATOM    594  O   THR C  44      -7.532  10.177   5.351  1.00  0.73           O
ATOM    595  CB  THR C  44      -9.267   9.397   2.867  1.00  0.83           C
ATOM    596  OG1 THR C  44      -9.820   9.899   1.643  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.907   8.056   3.196  1.00  0.99           C
ATOM      0  H   THR C  44      -8.453  11.759   2.785  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.572  10.452   4.213  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -8.192   9.249   2.760  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -9.812   9.191   0.966  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.723   7.356   2.381  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.475   7.663   4.117  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.981   8.188   3.326  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.463   9.406   6.203  1.00  0.67           N
ATOM    606  CA  SER C  45      -8.893   9.091   7.501  1.00  0.69           C
ATOM    607  C   SER C  45      -8.232   7.717   7.496  1.00  0.61           C
ATOM    608  O   SER C  45      -8.830   6.723   7.073  1.00  0.66           O
ATOM    609  CB  SER C  45      -9.983   9.145   8.568  1.00  0.91           C
ATOM    610  OG  SER C  45     -10.663  10.391   8.537  1.00  1.60           O
ATOM      0  H   SER C  45     -10.442   9.140   6.096  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -8.125   9.831   7.727  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -10.694   8.334   8.408  1.00  0.91           H   new
ATOM      0  HB3 SER C  45      -9.541   8.992   9.553  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -11.358  10.402   9.228  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -6.989   7.681   7.958  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.221   6.447   8.034  1.00  0.70           C
ATOM    618  C   ARG C  46      -6.803   5.529   9.107  1.00  0.82           C
ATOM    619  O   ARG C  46      -6.847   5.894  10.284  1.00  0.97           O
ATOM    620  CB  ARG C  46      -4.760   6.771   8.347  1.00  0.86           C
ATOM    621  CG  ARG C  46      -3.852   5.556   8.395  1.00  1.10           C
ATOM    622  CD  ARG C  46      -2.423   5.950   8.728  1.00  1.09           C
ATOM    623  NE  ARG C  46      -2.315   6.555  10.055  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -1.298   7.324  10.445  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -0.317   7.621   9.602  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -1.267   7.806  11.681  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.487   8.504   8.290  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.274   5.932   7.075  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.383   7.463   7.594  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.711   7.286   9.306  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -4.221   4.852   9.141  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -3.876   5.043   7.434  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -1.783   5.069   8.679  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -2.057   6.652   7.979  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -3.064   6.378  10.724  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -0.338   7.260   8.648  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       0.458   8.210   9.908  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -2.021   7.588  12.332  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46      -0.489   8.394  11.980  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.256   4.329   8.713  1.00  0.82           N
ATOM    641  CA  PRO C  47      -7.906   3.394   9.630  1.00  1.01           C
ATOM    642  C   PRO C  47      -6.929   2.788  10.631  1.00  1.13           C
ATOM    643  O   PRO C  47      -5.841   2.342  10.264  1.00  1.14           O
ATOM    644  CB  PRO C  47      -8.466   2.312   8.702  1.00  1.02           C
ATOM    645  CG  PRO C  47      -7.593   2.353   7.496  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.161   3.787   7.344  1.00  0.70           C
ATOM      0  HA  PRO C  47      -8.666   3.884  10.239  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -8.438   1.331   9.177  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -9.506   2.512   8.444  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -6.731   1.697   7.616  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.132   2.012   6.612  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.146   3.860   6.954  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -7.807   4.329   6.653  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -7.323   2.787  11.896  1.00  1.31           N
ATOM    655  CA  GLY C  48      -6.509   2.183  12.932  1.00  1.49           C
ATOM    656  C   GLY C  48      -6.818   0.712  13.090  1.00  1.61           C
ATOM    657  O   GLY C  48      -6.084  -0.024  13.749  1.00  1.90           O
ATOM      0  H   GLY C  48      -8.197   3.196  12.225  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -5.454   2.310  12.688  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -6.682   2.696  13.878  1.00  1.49           H   new
ATOM    661  N   THR C  49      -7.903   0.279  12.462  1.00  1.53           N
ATOM    662  CA  THR C  49      -8.326  -1.110  12.513  1.00  1.70           C
ATOM    663  C   THR C  49      -7.693  -1.907  11.376  1.00  1.25           C
ATOM    664  O   THR C  49      -8.316  -2.797  10.791  1.00  1.89           O
ATOM    665  CB  THR C  49      -9.860  -1.213  12.428  1.00  2.25           C
ATOM    666  OG1 THR C  49     -10.345  -0.418  11.337  1.00  2.72           O
ATOM    667  CG2 THR C  49     -10.505  -0.747  13.724  1.00  2.75           C
ATOM      0  H   THR C  49      -8.511   0.880  11.906  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -7.996  -1.528  13.464  1.00  1.70           H   new
ATOM      0  HB  THR C  49     -10.124  -2.258  12.263  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -11.321  -0.490  11.288  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -11.589  -0.829  13.641  1.00  2.75           H   new
ATOM      0 HG22 THR C  49     -10.156  -1.369  14.548  1.00  2.75           H   new
ATOM      0 HG23 THR C  49     -10.233   0.291  13.913  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -6.445  -1.580  11.074  1.00  0.82           N
ATOM    676  CA  GLY C  50      -5.752  -2.232   9.993  1.00  0.74           C
ATOM    677  C   GLY C  50      -5.627  -1.336   8.783  1.00  0.57           C
ATOM    678  O   GLY C  50      -6.626  -0.832   8.272  1.00  0.60           O
ATOM      0  H   GLY C  50      -5.901  -0.870  11.564  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -4.759  -2.532  10.327  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -6.284  -3.142   9.717  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -4.399  -1.124   8.333  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.155  -0.309   7.157  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.652  -1.054   5.921  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.249  -2.188   5.660  1.00  0.33           O
ATOM    686  CB  LEU C  51      -2.658   0.012   7.045  1.00  0.50           C
ATOM    687  CG  LEU C  51      -2.287   1.272   6.247  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.608   1.112   4.769  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -2.998   2.490   6.816  1.00  0.86           C
ATOM      0  H   LEU C  51      -3.558  -1.506   8.766  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -4.695   0.634   7.238  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -2.254   0.114   8.052  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.159  -0.842   6.587  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -1.211   1.417   6.339  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.332   2.022   4.236  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.046   0.270   4.364  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.675   0.929   4.646  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -2.724   3.374   6.239  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -4.076   2.341   6.761  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -2.704   2.630   7.856  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.537  -0.423   5.172  1.00  0.32           N
ATOM    702  CA  ARG C  52      -6.164  -1.070   4.035  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.776  -0.383   2.735  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.870   0.836   2.612  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.683  -1.072   4.222  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.123  -1.872   5.438  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.611  -1.745   5.707  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.009  -2.522   6.880  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.093  -2.276   7.611  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -11.905  -1.278   7.291  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -11.364  -3.035   8.665  1.00  2.65           N
ATOM      0  H   ARG C  52      -5.838   0.538   5.331  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.813  -2.100   3.976  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -8.034  -0.045   4.321  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -8.154  -1.485   3.330  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.872  -2.922   5.289  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -7.568  -1.533   6.313  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.867  -0.696   5.859  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52     -10.170  -2.086   4.836  1.00  0.79           H   new
ATOM      0  HE  ARG C  52      -9.416  -3.305   7.156  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.700  -0.694   6.480  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -12.735  -1.094   7.855  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -10.742  -3.804   8.913  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -12.194  -2.849   9.227  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -5.308  -1.180   1.778  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.946  -0.673   0.460  1.00  0.41           C
ATOM    727  C   CYS C  53      -6.214  -0.337  -0.329  1.00  0.45           C
ATOM    728  O   CYS C  53      -7.310  -0.651   0.130  1.00  0.47           O
ATOM    729  CB  CYS C  53      -4.100  -1.708  -0.285  1.00  0.47           C
ATOM    730  SG  CYS C  53      -5.033  -3.137  -0.888  1.00  0.49           S
ATOM      0  H   CYS C  53      -5.171  -2.184   1.893  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -4.354   0.236   0.571  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -3.615  -1.222  -1.131  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -3.309  -2.059   0.378  1.00  0.47           H   new
ATOM    735  N   ARG C  54      -6.071   0.254  -1.518  1.00  0.58           N
ATOM    736  CA  ARG C  54      -7.228   0.798  -2.241  1.00  0.68           C
ATOM    737  C   ARG C  54      -8.287  -0.274  -2.499  1.00  0.64           C
ATOM    738  O   ARG C  54      -9.486  -0.007  -2.410  1.00  0.68           O
ATOM    739  CB  ARG C  54      -6.801   1.452  -3.564  1.00  0.87           C
ATOM    740  CG  ARG C  54      -6.475   0.469  -4.679  1.00  1.28           C
ATOM    741  CD  ARG C  54      -6.008   1.182  -5.936  1.00  1.82           C
ATOM    742  NE  ARG C  54      -7.005   2.121  -6.446  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -6.815   2.901  -7.508  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -5.685   2.825  -8.203  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -7.761   3.750  -7.882  1.00  4.09           N
ATOM      0  H   ARG C  54      -5.178   0.368  -1.997  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -7.670   1.564  -1.604  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -7.599   2.113  -3.902  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -5.926   2.076  -3.380  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -5.700  -0.220  -4.342  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -7.357  -0.130  -4.906  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -5.083   1.718  -5.724  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -5.780   0.444  -6.706  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -7.899   2.182  -5.959  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -4.958   2.167  -7.924  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -5.545   3.425  -9.016  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -8.633   3.805  -7.356  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -7.617   4.348  -8.695  1.00  4.09           H   new
ATOM    759  N   SER C  55      -7.844  -1.488  -2.800  1.00  0.62           N
ATOM    760  CA  SER C  55      -8.761  -2.582  -3.064  1.00  0.65           C
ATOM    761  C   SER C  55      -9.481  -2.992  -1.782  1.00  0.60           C
ATOM    762  O   SER C  55     -10.675  -3.286  -1.793  1.00  0.68           O
ATOM    763  CB  SER C  55      -8.004  -3.768  -3.672  1.00  0.72           C
ATOM    764  OG  SER C  55      -8.885  -4.822  -4.025  1.00  1.54           O
ATOM      0  H   SER C  55      -6.857  -1.737  -2.867  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -9.512  -2.251  -3.782  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -7.458  -3.438  -4.556  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -7.265  -4.134  -2.959  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -8.372  -5.562  -4.411  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -8.752  -2.987  -0.674  1.00  0.52           N
ATOM    771  CA  CYS C  56      -9.313  -3.370   0.614  1.00  0.54           C
ATOM    772  C   CYS C  56     -10.252  -2.300   1.170  1.00  0.61           C
ATOM    773  O   CYS C  56     -11.228  -2.618   1.847  1.00  0.72           O
ATOM    774  CB  CYS C  56      -8.198  -3.676   1.612  1.00  0.50           C
ATOM    775  SG  CYS C  56      -7.327  -5.222   1.272  1.00  0.65           S
ATOM      0  H   CYS C  56      -7.768  -2.721  -0.642  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -9.905  -4.272   0.457  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -7.481  -2.855   1.605  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -8.622  -3.721   2.615  1.00  0.50           H   new
ATOM    780  N   SER C  57      -9.956  -1.036   0.892  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.793   0.057   1.364  1.00  0.74           C
ATOM    782  C   SER C  57     -11.972   0.285   0.422  1.00  0.89           C
ATOM    783  O   SER C  57     -12.939   0.969   0.768  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.959   1.331   1.490  1.00  0.78           C
ATOM    785  OG  SER C  57      -9.246   1.583   0.293  1.00  1.25           O
ATOM      0  H   SER C  57      -9.146  -0.745   0.345  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -11.190  -0.208   2.344  1.00  0.74           H   new
ATOM      0  HB2 SER C  57     -10.609   2.176   1.717  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -9.261   1.234   2.321  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -8.564   2.267   0.457  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.883  -0.289  -0.770  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.979  -0.225  -1.710  1.00  1.06           C
ATOM    793  C   GLY C  58     -13.932  -1.377  -1.507  1.00  1.50           C
ATOM    794  O   GLY C  58     -15.115  -1.177  -1.229  1.00  2.19           O
ATOM      0  H   GLY C  58     -11.065  -0.800  -1.102  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -13.512   0.718  -1.589  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -12.591  -0.244  -2.728  1.00  1.06           H   new
ATOM    798  N   ASP C  59     -13.409  -2.586  -1.632  1.00  2.14           N
ATOM    799  CA  ASP C  59     -14.180  -3.787  -1.354  1.00  3.08           C
ATOM    800  C   ASP C  59     -13.982  -4.189   0.097  1.00  3.78           C
ATOM    801  O   ASP C  59     -13.072  -4.953   0.424  1.00  4.32           O
ATOM    802  CB  ASP C  59     -13.764  -4.936  -2.278  1.00  3.95           C
ATOM    803  CG  ASP C  59     -14.285  -4.771  -3.689  1.00  4.66           C
ATOM    804  OD1 ASP C  59     -13.591  -4.142  -4.519  1.00  5.12           O
ATOM    805  OD2 ASP C  59     -15.392  -5.267  -3.980  1.00  5.15           O
ATOM      0  H   ASP C  59     -12.448  -2.762  -1.926  1.00  2.14           H   new
ATOM      0  HA  ASP C  59     -15.233  -3.574  -1.536  1.00  3.08           H   new
ATOM      0  HB2 ASP C  59     -12.676  -5.001  -2.302  1.00  3.95           H   new
ATOM      0  HB3 ASP C  59     -14.130  -5.877  -1.868  1.00  3.95           H   new
ATOM    810  N   VAL C  60     -14.834  -3.668   0.963  1.00  4.28           N
ATOM    811  CA  VAL C  60     -14.703  -3.900   2.391  1.00  5.35           C
ATOM    812  C   VAL C  60     -15.455  -5.159   2.797  1.00  6.12           C
ATOM    813  O   VAL C  60     -16.684  -5.171   2.868  1.00  6.50           O
ATOM    814  CB  VAL C  60     -15.223  -2.702   3.215  1.00  5.93           C
ATOM    815  CG1 VAL C  60     -15.021  -2.942   4.705  1.00  6.76           C
ATOM    816  CG2 VAL C  60     -14.536  -1.417   2.782  1.00  6.03           C
ATOM      0  H   VAL C  60     -15.626  -3.080   0.701  1.00  4.28           H   new
ATOM      0  HA  VAL C  60     -13.641  -4.025   2.602  1.00  5.35           H   new
ATOM      0  HB  VAL C  60     -16.292  -2.600   3.029  1.00  5.93           H   new
ATOM      0 HG11 VAL C  60     -15.395  -2.085   5.266  1.00  6.76           H   new
ATOM      0 HG12 VAL C  60     -15.564  -3.838   5.006  1.00  6.76           H   new
ATOM      0 HG13 VAL C  60     -13.959  -3.075   4.911  1.00  6.76           H   new
ATOM      0 HG21 VAL C  60     -14.916  -0.584   3.374  1.00  6.03           H   new
ATOM      0 HG22 VAL C  60     -13.461  -1.510   2.934  1.00  6.03           H   new
ATOM      0 HG23 VAL C  60     -14.738  -1.234   1.727  1.00  6.03           H   new
ATOM    826  N   THR C  61     -14.708  -6.221   3.040  1.00  6.63           N
ATOM    827  CA  THR C  61     -15.284  -7.488   3.446  1.00  7.54           C
ATOM    828  C   THR C  61     -15.039  -7.738   4.931  1.00  8.48           C
ATOM    829  O   THR C  61     -13.906  -7.987   5.344  1.00  8.83           O
ATOM    830  CB  THR C  61     -14.692  -8.642   2.616  1.00  7.91           C
ATOM    831  OG1 THR C  61     -13.268  -8.491   2.518  1.00  7.75           O
ATOM    832  CG2 THR C  61     -15.299  -8.677   1.221  1.00  8.22           C
ATOM      0  H   THR C  61     -13.691  -6.229   2.962  1.00  6.63           H   new
ATOM      0  HA  THR C  61     -16.359  -7.443   3.270  1.00  7.54           H   new
ATOM      0  HB  THR C  61     -14.927  -9.580   3.119  1.00  7.91           H   new
ATOM      0  HG1 THR C  61     -12.902  -8.264   3.398  1.00  7.75           H   new
ATOM      0 HG21 THR C  61     -14.864  -9.501   0.655  1.00  8.22           H   new
ATOM      0 HG22 THR C  61     -16.377  -8.818   1.297  1.00  8.22           H   new
ATOM      0 HG23 THR C  61     -15.091  -7.737   0.710  1.00  8.22           H   new
ATOM    840  N   PRO C  62     -16.095  -7.646   5.759  1.00  9.10           N
ATOM    841  CA  PRO C  62     -15.993  -7.891   7.202  1.00 10.15           C
ATOM    842  C   PRO C  62     -15.482  -9.294   7.503  1.00 10.94           C
ATOM    843  O   PRO C  62     -15.847 -10.256   6.822  1.00 11.04           O
ATOM    844  CB  PRO C  62     -17.432  -7.729   7.703  1.00 10.68           C
ATOM    845  CG  PRO C  62     -18.116  -6.920   6.659  1.00 10.16           C
ATOM    846  CD  PRO C  62     -17.466  -7.295   5.357  1.00  9.07           C
ATOM      0  HA  PRO C  62     -15.288  -7.212   7.682  1.00 10.15           H   new
ATOM      0  HB2 PRO C  62     -17.916  -8.697   7.832  1.00 10.68           H   new
ATOM      0  HB3 PRO C  62     -17.459  -7.228   8.671  1.00 10.68           H   new
ATOM      0  HG2 PRO C  62     -19.185  -7.133   6.638  1.00 10.16           H   new
ATOM      0  HG3 PRO C  62     -18.007  -5.854   6.857  1.00 10.16           H   new
ATOM      0  HD2 PRO C  62     -17.973  -8.133   4.880  1.00  9.07           H   new
ATOM      0  HD3 PRO C  62     -17.479  -6.468   4.647  1.00  9.07           H   new
ATOM    854  N   ALA C  63     -14.629  -9.398   8.516  1.00 11.65           N
ATOM    855  CA  ALA C  63     -14.035 -10.669   8.903  1.00 12.54           C
ATOM    856  C   ALA C  63     -15.111 -11.671   9.305  1.00 13.45           C
ATOM    857  O   ALA C  63     -16.057 -11.322  10.016  1.00 13.86           O
ATOM    858  CB  ALA C  63     -13.051 -10.464  10.045  1.00 13.10           C
ATOM      0  H   ALA C  63     -14.332  -8.608   9.088  1.00 11.65           H   new
ATOM      0  HA  ALA C  63     -13.499 -11.072   8.044  1.00 12.54           H   new
ATOM      0  HB1 ALA C  63     -12.614 -11.422  10.325  1.00 13.10           H   new
ATOM      0  HB2 ALA C  63     -12.261  -9.784   9.727  1.00 13.10           H   new
ATOM      0  HB3 ALA C  63     -13.572 -10.039  10.903  1.00 13.10           H   new
ATOM    864  N   PRO C  64     -14.982 -12.925   8.847  1.00 13.89           N
ATOM    865  CA  PRO C  64     -15.953 -13.978   9.139  1.00 14.85           C
ATOM    866  C   PRO C  64     -15.819 -14.504  10.565  1.00 15.87           C
ATOM    867  O   PRO C  64     -15.378 -15.632  10.794  1.00 16.55           O
ATOM    868  CB  PRO C  64     -15.606 -15.065   8.123  1.00 15.07           C
ATOM    869  CG  PRO C  64     -14.150 -14.889   7.866  1.00 14.50           C
ATOM    870  CD  PRO C  64     -13.872 -13.416   8.007  1.00 13.64           C
ATOM      0  HA  PRO C  64     -16.982 -13.625   9.066  1.00 14.85           H   new
ATOM      0  HB2 PRO C  64     -15.822 -16.058   8.516  1.00 15.07           H   new
ATOM      0  HB3 PRO C  64     -16.187 -14.952   7.207  1.00 15.07           H   new
ATOM      0  HG2 PRO C  64     -13.557 -15.466   8.575  1.00 14.50           H   new
ATOM      0  HG3 PRO C  64     -13.886 -15.241   6.869  1.00 14.50           H   new
ATOM      0  HD2 PRO C  64     -12.905 -13.235   8.477  1.00 13.64           H   new
ATOM      0  HD3 PRO C  64     -13.854 -12.918   7.038  1.00 13.64           H   new
ATOM    878  N   VAL C  65     -16.186 -13.670  11.523  1.00 16.09           N
ATOM    879  CA  VAL C  65     -16.132 -14.042  12.925  1.00 17.13           C
ATOM    880  C   VAL C  65     -17.447 -14.685  13.346  1.00 17.88           C
ATOM    881  O   VAL C  65     -18.515 -14.080  13.220  1.00 18.07           O
ATOM    882  CB  VAL C  65     -15.846 -12.818  13.822  1.00 17.14           C
ATOM    883  CG1 VAL C  65     -15.763 -13.225  15.285  1.00 17.22           C
ATOM    884  CG2 VAL C  65     -14.563 -12.126  13.387  1.00 16.99           C
ATOM      0  H   VAL C  65     -16.527 -12.724  11.353  1.00 16.09           H   new
ATOM      0  HA  VAL C  65     -15.317 -14.756  13.049  1.00 17.13           H   new
ATOM      0  HB  VAL C  65     -16.673 -12.116  13.712  1.00 17.14           H   new
ATOM      0 HG11 VAL C  65     -15.561 -12.346  15.896  1.00 17.22           H   new
ATOM      0 HG12 VAL C  65     -16.709 -13.671  15.593  1.00 17.22           H   new
ATOM      0 HG13 VAL C  65     -14.960 -13.950  15.416  1.00 17.22           H   new
ATOM      0 HG21 VAL C  65     -14.377 -11.266  14.030  1.00 16.99           H   new
ATOM      0 HG22 VAL C  65     -13.729 -12.824  13.464  1.00 16.99           H   new
ATOM      0 HG23 VAL C  65     -14.662 -11.792  12.354  1.00 16.99           H   new
ATOM    894  N   GLU C  66     -17.368 -15.915  13.820  1.00 18.42           N
ATOM    895  CA  GLU C  66     -18.548 -16.638  14.256  1.00 19.24           C
ATOM    896  C   GLU C  66     -18.462 -16.878  15.757  1.00 19.89           C
ATOM    897  O   GLU C  66     -19.166 -16.182  16.512  1.00 20.26           O
ATOM    898  CB  GLU C  66     -18.665 -17.963  13.494  1.00 19.51           C
ATOM    899  CG  GLU C  66     -20.094 -18.471  13.325  1.00 19.47           C
ATOM    900  CD  GLU C  66     -20.761 -18.854  14.631  1.00 19.59           C
ATOM    901  OE1 GLU C  66     -20.390 -19.896  15.212  1.00 19.53           O
ATOM    902  OE2 GLU C  66     -21.651 -18.108  15.090  1.00 19.84           O
ATOM    903  OXT GLU C  66     -17.660 -17.735  16.178  1.00 20.13           O
ATOM      0  H   GLU C  66     -16.496 -16.435  13.913  1.00 18.42           H   new
ATOM      0  HA  GLU C  66     -19.440 -16.049  14.044  1.00 19.24           H   new
ATOM      0  HB2 GLU C  66     -18.217 -17.841  12.508  1.00 19.51           H   new
ATOM      0  HB3 GLU C  66     -18.083 -18.721  14.017  1.00 19.51           H   new
ATOM      0  HG2 GLU C  66     -20.689 -17.700  12.835  1.00 19.47           H   new
ATOM      0  HG3 GLU C  66     -20.087 -19.337  12.663  1.00 19.47           H   new
TER     910      GLU C  66
HETATM  911 ZN    ZN C 101       4.582   8.383  -0.966  1.00  0.44          ZN
HETATM  912 ZN    ZN C 102      -5.138  -4.800   0.709  1.00  0.49          ZN