USER  MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12
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   61:sc=  0.0823
USER  MOD Set 1.2: C  29 HIS     :FLIP no HD1:sc=  -0.113  F(o=-0.9,f=-0.031)
USER  MOD Set 2.1: C   1 GLY N   :NH3+    144:sc=   0.119   (180deg=0)
USER  MOD Set 2.2: C  22 THR OG1 :   rot  180:sc=    0.11
USER  MOD Single : C   3 MET CE  :methyl  165:sc= -0.0458   (180deg=-0.303)
USER  MOD Single : C   6 GLN     :FLIP  amide:sc= -0.0169  F(o=-0.96,f=-0.017)
USER  MOD Single : C   7 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : C   8 ASN     :      amide:sc=  -0.122  X(o=-0.12,f=-0.62)
USER  MOD Single : C  39 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD Single : C  44 THR OG1 :   rot -150:sc=   -1.11
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  49 THR OG1 :   rot  180:sc= 0.00504
USER  MOD Single : C  55 SER OG  :   rot  180:sc=-0.00911
USER  MOD Single : C  57 SER OG  :   rot   82:sc=   0.338
USER  MOD Single : C  61 THR OG1 :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY C   1      15.808   6.745   3.993  1.00 20.38           N
ATOM      2  CA  GLY C   1      16.945   6.036   4.625  1.00 19.89           C
ATOM      3  C   GLY C   1      17.958   5.574   3.601  1.00 19.10           C
ATOM      4  O   GLY C   1      17.590   5.077   2.535  1.00 18.87           O
ATOM      0  H1  GLY C   1      14.931   6.521   4.505  1.00 20.38           H   new
ATOM      0  H2  GLY C   1      15.976   7.771   4.027  1.00 20.38           H   new
ATOM      0  H3  GLY C   1      15.718   6.442   3.002  1.00 20.38           H   new
ATOM      0  HA2 GLY C   1      17.430   6.696   5.344  1.00 19.89           H   new
ATOM      0  HA3 GLY C   1      16.573   5.176   5.182  1.00 19.89           H   new
ATOM     10  N   ALA C   2      19.234   5.737   3.919  1.00 18.81           N
ATOM     11  CA  ALA C   2      20.300   5.358   3.006  1.00 18.18           C
ATOM     12  C   ALA C   2      20.662   3.887   3.175  1.00 17.47           C
ATOM     13  O   ALA C   2      20.947   3.431   4.283  1.00 17.29           O
ATOM     14  CB  ALA C   2      21.518   6.236   3.228  1.00 18.51           C
ATOM      0  H   ALA C   2      19.556   6.130   4.804  1.00 18.81           H   new
ATOM      0  HA  ALA C   2      19.946   5.503   1.985  1.00 18.18           H   new
ATOM      0  HB1 ALA C   2      22.309   5.942   2.538  1.00 18.51           H   new
ATOM      0  HB2 ALA C   2      21.252   7.278   3.052  1.00 18.51           H   new
ATOM      0  HB3 ALA C   2      21.869   6.119   4.253  1.00 18.51           H   new
ATOM     20  N   MET C   3      20.633   3.148   2.078  1.00 17.21           N
ATOM     21  CA  MET C   3      20.950   1.726   2.101  1.00 16.67           C
ATOM     22  C   MET C   3      22.186   1.452   1.260  1.00 16.02           C
ATOM     23  O   MET C   3      22.167   1.631   0.043  1.00 15.80           O
ATOM     24  CB  MET C   3      19.767   0.905   1.574  1.00 16.93           C
ATOM     25  CG  MET C   3      18.490   1.080   2.382  1.00 17.23           C
ATOM     26  SD  MET C   3      17.072   0.241   1.643  1.00 17.56           S
ATOM     27  CE  MET C   3      17.591  -1.472   1.748  1.00 18.06           C
ATOM      0  H   MET C   3      20.392   3.510   1.155  1.00 17.21           H   new
ATOM      0  HA  MET C   3      21.149   1.432   3.132  1.00 16.67           H   new
ATOM      0  HB2 MET C   3      19.573   1.188   0.539  1.00 16.93           H   new
ATOM      0  HB3 MET C   3      20.042  -0.150   1.570  1.00 16.93           H   new
ATOM      0  HG2 MET C   3      18.648   0.697   3.390  1.00 17.23           H   new
ATOM      0  HG3 MET C   3      18.268   2.143   2.477  1.00 17.23           H   new
ATOM      0  HE1 MET C   3      16.732  -2.123   1.584  1.00 18.06           H   new
ATOM      0  HE2 MET C   3      18.347  -1.670   0.988  1.00 18.06           H   new
ATOM      0  HE3 MET C   3      18.009  -1.666   2.736  1.00 18.06           H   new
ATOM     37  N   GLU C   4      23.263   1.029   1.907  1.00 15.89           N
ATOM     38  CA  GLU C   4      24.504   0.727   1.204  1.00 15.45           C
ATOM     39  C   GLU C   4      24.401  -0.606   0.474  1.00 14.85           C
ATOM     40  O   GLU C   4      25.152  -0.874  -0.463  1.00 14.73           O
ATOM     41  CB  GLU C   4      25.684   0.706   2.173  1.00 15.88           C
ATOM     42  CG  GLU C   4      25.982   2.061   2.788  1.00 16.30           C
ATOM     43  CD  GLU C   4      27.191   2.032   3.695  1.00 16.61           C
ATOM     44  OE1 GLU C   4      28.326   2.053   3.179  1.00 16.78           O
ATOM     45  OE2 GLU C   4      27.012   1.977   4.930  1.00 16.83           O
ATOM      0  H   GLU C   4      23.304   0.887   2.916  1.00 15.89           H   new
ATOM      0  HA  GLU C   4      24.673   1.514   0.468  1.00 15.45           H   new
ATOM      0  HB2 GLU C   4      25.478  -0.009   2.969  1.00 15.88           H   new
ATOM      0  HB3 GLU C   4      26.570   0.351   1.647  1.00 15.88           H   new
ATOM      0  HG2 GLU C   4      26.145   2.789   1.993  1.00 16.30           H   new
ATOM      0  HG3 GLU C   4      25.114   2.398   3.355  1.00 16.30           H   new
ATOM     52  N   GLY C   5      23.466  -1.432   0.909  1.00 14.66           N
ATOM     53  CA  GLY C   5      23.238  -2.704   0.265  1.00 14.26           C
ATOM     54  C   GLY C   5      21.797  -3.138   0.391  1.00 13.87           C
ATOM     55  O   GLY C   5      21.017  -2.492   1.094  1.00 13.77           O
ATOM      0  H   GLY C   5      22.856  -1.241   1.704  1.00 14.66           H   new
ATOM      0  HA2 GLY C   5      23.507  -2.633  -0.789  1.00 14.26           H   new
ATOM      0  HA3 GLY C   5      23.887  -3.459   0.709  1.00 14.26           H   new
ATOM     59  N   GLN C   6      21.446  -4.219  -0.304  1.00 13.82           N
ATOM     60  CA  GLN C   6      20.091  -4.776  -0.271  1.00 13.64           C
ATOM     61  C   GLN C   6      19.075  -3.793  -0.856  1.00 12.68           C
ATOM     62  O   GLN C   6      17.869  -3.944  -0.661  1.00 12.45           O
ATOM     63  CB  GLN C   6      19.692  -5.159   1.161  1.00 14.30           C
ATOM     64  CG  GLN C   6      20.617  -6.185   1.805  1.00 14.92           C
ATOM     65  CD  GLN C   6      20.560  -7.547   1.137  1.00 15.49           C
ATOM     66  OE1 GLN C   6      19.389  -7.925   0.650  1.00 15.79           O   flip
ATOM     67  NE2 GLN C   6      21.558  -8.266   1.084  1.00 15.80           N   flip
ATOM      0  H   GLN C   6      22.090  -4.734  -0.905  1.00 13.82           H   new
ATOM      0  HA  GLN C   6      20.090  -5.676  -0.886  1.00 13.64           H   new
ATOM      0  HB2 GLN C   6      19.678  -4.260   1.777  1.00 14.30           H   new
ATOM      0  HB3 GLN C   6      18.676  -5.555   1.151  1.00 14.30           H   new
ATOM      0  HG2 GLN C   6      21.641  -5.813   1.770  1.00 14.92           H   new
ATOM      0  HG3 GLN C   6      20.353  -6.293   2.857  1.00 14.92           H   new
ATOM      0 HE21 GLN C   6      22.443  -7.939   1.471  1.00 15.80           H   new
ATOM      0 HE22 GLN C   6      21.499  -9.189   0.653  1.00 15.80           H   new
ATOM     76  N   GLN C   7      19.565  -2.803  -1.596  1.00 12.28           N
ATOM     77  CA  GLN C   7      18.702  -1.778  -2.171  1.00 11.51           C
ATOM     78  C   GLN C   7      18.041  -2.284  -3.445  1.00 10.75           C
ATOM     79  O   GLN C   7      17.005  -1.774  -3.871  1.00 10.49           O
ATOM     80  CB  GLN C   7      19.490  -0.493  -2.448  1.00 11.80           C
ATOM     81  CG  GLN C   7      20.728  -0.700  -3.305  1.00 12.20           C
ATOM     82  CD  GLN C   7      21.342   0.607  -3.764  1.00 12.74           C
ATOM     83  OE1 GLN C   7      22.196   1.182  -3.089  1.00 12.97           O
ATOM     84  NE2 GLN C   7      20.913   1.082  -4.918  1.00 13.13           N
ATOM      0  H   GLN C   7      20.556  -2.689  -1.811  1.00 12.28           H   new
ATOM      0  HA  GLN C   7      17.921  -1.549  -1.446  1.00 11.51           H   new
ATOM      0  HB2 GLN C   7      18.834   0.224  -2.942  1.00 11.80           H   new
ATOM      0  HB3 GLN C   7      19.788  -0.050  -1.498  1.00 11.80           H   new
ATOM      0  HG2 GLN C   7      21.468  -1.266  -2.738  1.00 12.20           H   new
ATOM      0  HG3 GLN C   7      20.466  -1.300  -4.176  1.00 12.20           H   new
ATOM      0 HE21 GLN C   7      20.204   0.574  -5.447  1.00 13.13           H   new
ATOM      0 HE22 GLN C   7      21.291   1.957  -5.281  1.00 13.13           H   new
ATOM     93  N   ASN C   8      18.651  -3.295  -4.039  1.00 10.61           N
ATOM     94  CA  ASN C   8      18.105  -3.930  -5.231  1.00 10.12           C
ATOM     95  C   ASN C   8      17.314  -5.165  -4.834  1.00  9.04           C
ATOM     96  O   ASN C   8      16.740  -5.855  -5.674  1.00  8.88           O
ATOM     97  CB  ASN C   8      19.222  -4.316  -6.205  1.00 10.85           C
ATOM     98  CG  ASN C   8      20.019  -3.117  -6.680  1.00 11.31           C
ATOM     99  OD1 ASN C   8      21.029  -2.753  -6.080  1.00 11.47           O
ATOM    100  ND2 ASN C   8      19.565  -2.489  -7.754  1.00 11.74           N
ATOM      0  H   ASN C   8      19.530  -3.697  -3.714  1.00 10.61           H   new
ATOM      0  HA  ASN C   8      17.446  -3.220  -5.732  1.00 10.12           H   new
ATOM      0  HB2 ASN C   8      19.893  -5.025  -5.720  1.00 10.85           H   new
ATOM      0  HB3 ASN C   8      18.789  -4.824  -7.066  1.00 10.85           H   new
ATOM      0 HD21 ASN C   8      20.057  -1.671  -8.113  1.00 11.74           H   new
ATOM      0 HD22 ASN C   8      18.723  -2.824  -8.223  1.00 11.74           H   new
ATOM    107  N   LEU C   9      17.297  -5.429  -3.534  1.00  8.49           N
ATOM    108  CA  LEU C   9      16.573  -6.558  -2.977  1.00  7.55           C
ATOM    109  C   LEU C   9      15.671  -6.072  -1.854  1.00  6.52           C
ATOM    110  O   LEU C   9      15.620  -6.664  -0.775  1.00  6.53           O
ATOM    111  CB  LEU C   9      17.549  -7.614  -2.445  1.00  7.88           C
ATOM    112  CG  LEU C   9      18.474  -8.241  -3.489  1.00  8.24           C
ATOM    113  CD1 LEU C   9      19.474  -9.164  -2.819  1.00  8.67           C
ATOM    114  CD2 LEU C   9      17.670  -9.002  -4.533  1.00  8.72           C
ATOM      0  H   LEU C   9      17.785  -4.865  -2.838  1.00  8.49           H   new
ATOM      0  HA  LEU C   9      15.968  -7.014  -3.761  1.00  7.55           H   new
ATOM      0  HB2 LEU C   9      18.163  -7.158  -1.668  1.00  7.88           H   new
ATOM      0  HB3 LEU C   9      16.974  -8.409  -1.971  1.00  7.88           H   new
ATOM      0  HG  LEU C   9      19.017  -7.440  -3.991  1.00  8.24           H   new
ATOM      0 HD11 LEU C   9      20.126  -9.603  -3.574  1.00  8.67           H   new
ATOM      0 HD12 LEU C   9      20.074  -8.596  -2.108  1.00  8.67           H   new
ATOM      0 HD13 LEU C   9      18.942  -9.957  -2.293  1.00  8.67           H   new
ATOM      0 HD21 LEU C   9      18.348  -9.440  -5.266  1.00  8.72           H   new
ATOM      0 HD22 LEU C   9      17.100  -9.794  -4.047  1.00  8.72           H   new
ATOM      0 HD23 LEU C   9      16.986  -8.318  -5.035  1.00  8.72           H   new
ATOM    126  N   ALA C  10      14.975  -4.977  -2.119  1.00  5.93           N
ATOM    127  CA  ALA C  10      14.114  -4.352  -1.129  1.00  5.15           C
ATOM    128  C   ALA C  10      12.896  -5.224  -0.844  1.00  4.09           C
ATOM    129  O   ALA C  10      12.353  -5.859  -1.748  1.00  3.79           O
ATOM    130  CB  ALA C  10      13.689  -2.973  -1.610  1.00  5.31           C
ATOM      0  H   ALA C  10      14.991  -4.500  -3.020  1.00  5.93           H   new
ATOM      0  HA  ALA C  10      14.671  -4.243  -0.199  1.00  5.15           H   new
ATOM      0  HB1 ALA C  10      13.044  -2.510  -0.863  1.00  5.31           H   new
ATOM      0  HB2 ALA C  10      14.572  -2.352  -1.761  1.00  5.31           H   new
ATOM      0  HB3 ALA C  10      13.146  -3.067  -2.550  1.00  5.31           H   new
ATOM    136  N   PRO C  11      12.458  -5.271   0.425  1.00  4.05           N
ATOM    137  CA  PRO C  11      11.317  -6.095   0.856  1.00  3.68           C
ATOM    138  C   PRO C  11       9.963  -5.569   0.369  1.00  2.90           C
ATOM    139  O   PRO C  11       8.929  -5.843   0.980  1.00  3.43           O
ATOM    140  CB  PRO C  11      11.393  -6.024   2.382  1.00  4.66           C
ATOM    141  CG  PRO C  11      12.067  -4.728   2.665  1.00  5.25           C
ATOM    142  CD  PRO C  11      13.056  -4.527   1.552  1.00  5.02           C
ATOM      0  HA  PRO C  11      11.380  -7.103   0.445  1.00  3.68           H   new
ATOM      0  HB2 PRO C  11      10.400  -6.061   2.830  1.00  4.66           H   new
ATOM      0  HB3 PRO C  11      11.958  -6.862   2.790  1.00  4.66           H   new
ATOM      0  HG2 PRO C  11      11.346  -3.912   2.699  1.00  5.25           H   new
ATOM      0  HG3 PRO C  11      12.568  -4.751   3.633  1.00  5.25           H   new
ATOM      0  HD2 PRO C  11      13.184  -3.471   1.314  1.00  5.02           H   new
ATOM      0  HD3 PRO C  11      14.040  -4.916   1.814  1.00  5.02           H   new
ATOM    150  N   GLY C  12       9.972  -4.825  -0.730  1.00  2.28           N
ATOM    151  CA  GLY C  12       8.747  -4.256  -1.253  1.00  2.25           C
ATOM    152  C   GLY C  12       8.212  -3.153  -0.367  1.00  1.93           C
ATOM    153  O   GLY C  12       7.016  -2.857  -0.382  1.00  2.19           O
ATOM      0  H   GLY C  12      10.809  -4.606  -1.269  1.00  2.28           H   new
ATOM      0  HA2 GLY C  12       8.928  -3.862  -2.253  1.00  2.25           H   new
ATOM      0  HA3 GLY C  12       7.996  -5.040  -1.350  1.00  2.25           H   new
ATOM    157  N   ALA C  13       9.101  -2.547   0.408  1.00  1.67           N
ATOM    158  CA  ALA C  13       8.719  -1.503   1.342  1.00  1.63           C
ATOM    159  C   ALA C  13       9.093  -0.134   0.793  1.00  1.27           C
ATOM    160  O   ALA C  13      10.045   0.498   1.257  1.00  1.33           O
ATOM    161  CB  ALA C  13       9.376  -1.738   2.695  1.00  2.07           C
ATOM      0  H   ALA C  13      10.098  -2.764   0.406  1.00  1.67           H   new
ATOM      0  HA  ALA C  13       7.638  -1.533   1.475  1.00  1.63           H   new
ATOM      0  HB1 ALA C  13       9.081  -0.948   3.385  1.00  2.07           H   new
ATOM      0  HB2 ALA C  13       9.059  -2.703   3.091  1.00  2.07           H   new
ATOM      0  HB3 ALA C  13      10.460  -1.732   2.579  1.00  2.07           H   new
ATOM    167  N   ARG C  14       8.330   0.325  -0.190  1.00  1.06           N
ATOM    168  CA  ARG C  14       8.602   1.600  -0.834  1.00  0.77           C
ATOM    169  C   ARG C  14       7.345   2.146  -1.504  1.00  0.65           C
ATOM    170  O   ARG C  14       6.676   1.442  -2.260  1.00  0.73           O
ATOM    171  CB  ARG C  14       9.729   1.440  -1.859  1.00  0.75           C
ATOM    172  CG  ARG C  14      10.117   2.731  -2.561  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.352   2.544  -3.425  1.00  1.12           C
ATOM    174  NE  ARG C  14      11.154   1.532  -4.460  1.00  1.74           N
ATOM    175  CZ  ARG C  14      12.149   0.926  -5.108  1.00  2.20           C
ATOM    176  NH1 ARG C  14      13.411   1.250  -4.844  1.00  2.19           N
ATOM    177  NH2 ARG C  14      11.882   0.008  -6.029  1.00  3.18           N
ATOM      0  H   ARG C  14       7.517  -0.169  -0.558  1.00  1.06           H   new
ATOM      0  HA  ARG C  14       8.917   2.313  -0.072  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14      10.607   1.034  -1.357  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       9.423   0.709  -2.608  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14       9.287   3.074  -3.179  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      10.304   3.508  -1.820  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      11.613   3.493  -3.893  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      12.194   2.257  -2.795  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      10.197   1.274  -4.701  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.619   1.963  -4.145  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      14.171   0.786  -5.341  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      10.914  -0.235  -6.242  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      12.644  -0.455  -6.524  1.00  3.18           H   new
ATOM    191  N   CYS C  15       7.028   3.399  -1.207  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.877   4.069  -1.798  1.00  0.46           C
ATOM    193  C   CYS C  15       6.128   4.324  -3.277  1.00  0.42           C
ATOM    194  O   CYS C  15       6.983   5.133  -3.632  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.616   5.388  -1.065  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.371   6.461  -1.827  1.00  0.48           S
ATOM      0  H   CYS C  15       7.557   3.977  -0.554  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       4.998   3.432  -1.700  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.303   5.163  -0.045  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.554   5.939  -0.996  1.00  0.46           H   new
ATOM    201  N   GLY C  16       5.379   3.628  -4.127  1.00  0.56           N
ATOM    202  CA  GLY C  16       5.562   3.734  -5.563  1.00  0.65           C
ATOM    203  C   GLY C  16       5.366   5.141  -6.085  1.00  0.54           C
ATOM    204  O   GLY C  16       6.012   5.547  -7.051  1.00  0.61           O
ATOM      0  H   GLY C  16       4.640   2.985  -3.842  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       6.565   3.394  -5.821  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       4.860   3.067  -6.063  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.484   5.891  -5.438  1.00  0.52           N
ATOM    209  CA  VAL C  17       4.204   7.262  -5.841  1.00  0.65           C
ATOM    210  C   VAL C  17       5.418   8.161  -5.600  1.00  0.66           C
ATOM    211  O   VAL C  17       5.724   9.039  -6.407  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.981   7.829  -5.083  1.00  0.78           C
ATOM    213  CG1 VAL C  17       2.700   9.265  -5.498  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.755   6.964  -5.323  1.00  0.94           C
ATOM      0  H   VAL C  17       3.949   5.572  -4.630  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.979   7.247  -6.907  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       3.213   7.819  -4.018  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       1.835   9.639  -4.950  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       3.568   9.885  -5.274  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       2.495   9.301  -6.568  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.905   7.379  -4.781  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.529   6.940  -6.389  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       1.950   5.951  -4.971  1.00  0.94           H   new
ATOM    224  N   CYS C  18       6.126   7.917  -4.504  1.00  0.55           N
ATOM    225  CA  CYS C  18       7.251   8.763  -4.124  1.00  0.70           C
ATOM    226  C   CYS C  18       8.584   8.203  -4.608  1.00  0.68           C
ATOM    227  O   CYS C  18       9.449   8.946  -5.064  1.00  0.84           O
ATOM    228  CB  CYS C  18       7.294   8.946  -2.607  1.00  0.82           C
ATOM    229  SG  CYS C  18       5.915   9.902  -1.946  1.00  0.82           S
ATOM      0  H   CYS C  18       5.942   7.144  -3.865  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       7.099   9.728  -4.607  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       7.303   7.965  -2.133  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       8.228   9.439  -2.337  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.740   6.891  -4.519  1.00  0.60           N
ATOM    235  CA  GLY C  19      10.011   6.274  -4.835  1.00  0.67           C
ATOM    236  C   GLY C  19      10.881   6.136  -3.602  1.00  0.68           C
ATOM    237  O   GLY C  19      12.041   5.736  -3.688  1.00  0.77           O
ATOM      0  H   GLY C  19       8.008   6.241  -4.233  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.841   5.291  -5.274  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.531   6.871  -5.584  1.00  0.67           H   new
ATOM    241  N   ASP C  20      10.309   6.464  -2.449  1.00  0.70           N
ATOM    242  CA  ASP C  20      11.032   6.402  -1.183  1.00  0.70           C
ATOM    243  C   ASP C  20      10.351   5.434  -0.230  1.00  0.52           C
ATOM    244  O   ASP C  20       9.128   5.262  -0.270  1.00  0.44           O
ATOM    245  CB  ASP C  20      11.118   7.787  -0.536  1.00  0.80           C
ATOM    246  CG  ASP C  20      11.944   8.763  -1.349  1.00  1.30           C
ATOM    247  OD1 ASP C  20      13.176   8.830  -1.142  1.00  1.40           O
ATOM    248  OD2 ASP C  20      11.367   9.469  -2.197  1.00  2.10           O
ATOM      0  H   ASP C  20       9.342   6.777  -2.364  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      12.042   6.049  -1.390  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      10.112   8.187  -0.409  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20      11.552   7.692   0.460  1.00  0.80           H   new
ATOM    253  N   GLY C  21      11.140   4.802   0.624  1.00  0.55           N
ATOM    254  CA  GLY C  21      10.602   3.821   1.545  1.00  0.51           C
ATOM    255  C   GLY C  21      10.563   4.314   2.976  1.00  0.45           C
ATOM    256  O   GLY C  21      10.342   3.534   3.901  1.00  0.51           O
ATOM      0  H   GLY C  21      12.146   4.951   0.697  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       9.594   3.551   1.232  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      11.205   2.914   1.495  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.770   5.606   3.166  1.00  0.44           N
ATOM    261  CA  THR C  22      10.754   6.186   4.498  1.00  0.46           C
ATOM    262  C   THR C  22       9.322   6.424   4.977  1.00  0.39           C
ATOM    263  O   THR C  22       8.512   7.032   4.268  1.00  0.41           O
ATOM    264  CB  THR C  22      11.547   7.506   4.536  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.887   7.268   4.088  1.00  1.06           O
ATOM    266  CG2 THR C  22      11.573   8.091   5.941  1.00  0.90           C
ATOM      0  H   THR C  22      10.951   6.273   2.416  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.231   5.473   5.170  1.00  0.46           H   new
ATOM      0  HB  THR C  22      11.056   8.223   3.878  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      13.393   8.107   4.110  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      12.140   9.022   5.937  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      10.553   8.288   6.272  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.045   7.382   6.622  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.026   5.918   6.173  1.00  0.41           N
ATOM    275  CA  ASP C  23       7.720   6.086   6.810  1.00  0.45           C
ATOM    276  C   ASP C  23       6.604   5.508   5.941  1.00  0.38           C
ATOM    277  O   ASP C  23       5.603   6.168   5.654  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.459   7.564   7.128  1.00  0.59           C
ATOM    279  CG  ASP C  23       6.254   7.759   8.026  1.00  1.39           C
ATOM    280  OD1 ASP C  23       6.115   7.012   9.014  1.00  1.75           O
ATOM    281  OD2 ASP C  23       5.436   8.663   7.751  1.00  2.23           O
ATOM      0  H   ASP C  23       9.688   5.378   6.730  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       7.729   5.532   7.749  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       8.340   7.990   7.609  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       7.308   8.111   6.198  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.791   4.265   5.520  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.799   3.578   4.708  1.00  0.31           C
ATOM    288  C   VAL C  24       4.805   2.824   5.575  1.00  0.32           C
ATOM    289  O   VAL C  24       5.151   2.303   6.638  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.438   2.584   3.711  1.00  0.36           C
ATOM    291  CG1 VAL C  24       7.121   3.323   2.574  1.00  1.14           C
ATOM    292  CG2 VAL C  24       7.425   1.663   4.417  1.00  1.16           C
ATOM      0  H   VAL C  24       7.622   3.712   5.728  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.285   4.356   4.143  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       5.640   1.972   3.292  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.563   2.603   1.886  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       6.388   3.930   2.043  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       7.903   3.967   2.976  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       7.861   0.974   3.694  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       8.216   2.258   4.873  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       6.905   1.097   5.190  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.570   2.786   5.113  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.525   2.022   5.761  1.00  0.30           C
ATOM    304  C   LEU C  25       2.314   0.722   5.003  1.00  0.30           C
ATOM    305  O   LEU C  25       2.435   0.688   3.779  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.228   2.832   5.797  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.308   4.142   6.584  1.00  0.37           C
ATOM    308  CD1 LEU C  25       0.060   4.972   6.355  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.491   3.863   8.068  1.00  0.48           C
ATOM      0  H   LEU C  25       3.264   3.285   4.277  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.819   1.798   6.786  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       0.929   3.058   4.773  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.442   2.213   6.229  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       2.171   4.705   6.229  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25       0.132   5.901   6.921  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.035   5.201   5.294  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.815   4.412   6.685  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.546   4.806   8.612  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.646   3.281   8.436  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.413   3.302   8.222  1.00  0.48           H   new
ATOM    321  N   ARG C  26       2.023  -0.345   5.725  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.831  -1.648   5.106  1.00  0.33           C
ATOM    323  C   ARG C  26       0.380  -2.074   5.207  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.255  -1.898   6.248  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.723  -2.709   5.760  1.00  0.42           C
ATOM    326  CG  ARG C  26       4.146  -2.755   5.217  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.935  -1.500   5.557  1.00  0.95           C
ATOM    328  NE  ARG C  26       5.059  -1.301   7.000  1.00  1.64           N
ATOM    329  CZ  ARG C  26       6.215  -1.094   7.629  1.00  2.21           C
ATOM    330  NH1 ARG C  26       7.360  -1.138   6.959  1.00  2.24           N
ATOM    331  NH2 ARG C  26       6.224  -0.865   8.934  1.00  3.18           N
ATOM      0  H   ARG C  26       1.914  -0.337   6.739  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.109  -1.559   4.056  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.762  -2.522   6.833  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.263  -3.688   5.623  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.660  -3.626   5.624  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.116  -2.880   4.135  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       5.929  -1.566   5.114  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       4.445  -0.633   5.113  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       4.207  -1.322   7.560  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       7.358  -1.331   5.957  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       8.242  -0.979   7.446  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       5.347  -0.848   9.455  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       7.108  -0.706   9.418  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.145  -2.622   4.120  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.496  -3.145   4.123  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.567  -4.324   5.087  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.672  -5.166   5.118  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.923  -3.570   2.710  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.719  -3.630   2.492  1.00  0.37           S
ATOM      0  H   CYS C  27       0.345  -2.714   3.230  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.184  -2.366   4.451  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.499  -2.875   1.985  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.504  -4.552   2.492  1.00  0.29           H   new
ATOM    355  N   THR C  28      -2.604  -4.361   5.899  1.00  0.25           N
ATOM    356  CA  THR C  28      -2.759  -5.426   6.872  1.00  0.31           C
ATOM    357  C   THR C  28      -3.477  -6.621   6.259  1.00  0.33           C
ATOM    358  O   THR C  28      -3.395  -7.739   6.762  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.533  -4.936   8.109  1.00  0.39           C
ATOM    360  OG1 THR C  28      -4.776  -4.349   7.704  1.00  0.75           O
ATOM    361  CG2 THR C  28      -2.718  -3.914   8.888  1.00  0.72           C
ATOM      0  H   THR C  28      -3.352  -3.667   5.905  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -1.761  -5.734   7.182  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -3.725  -5.793   8.754  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -5.317  -5.019   7.236  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.286  -3.582   9.757  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -1.783  -4.368   9.216  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.501  -3.058   8.249  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.167  -6.379   5.151  1.00  0.31           N
ATOM    370  CA  HIS C  29      -4.950  -7.423   4.500  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.179  -8.057   3.346  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.522  -9.146   2.884  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.283  -6.861   4.000  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.189  -6.400   5.099  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -7.193  -5.255   5.822  1.00  0.91           N   flip
ATOM    376  CD2 HIS C  29      -8.245  -7.148   5.568  1.00  1.16           C   flip
ATOM    377  CE1 HIS C  29      -8.239  -5.334   6.703  1.00  1.23           C   flip
ATOM    378  NE2 HIS C  29      -8.859  -6.484   6.530  1.00  1.43           N   flip
ATOM      0  H   HIS C  29      -4.201  -5.472   4.685  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.149  -8.199   5.240  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -6.086  -6.026   3.328  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.794  -7.626   3.416  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -8.527  -8.125   5.206  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29      -8.511  -4.576   7.423  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -9.675  -6.806   7.051  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -3.149  -7.370   2.875  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.296  -7.904   1.825  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.893  -7.318   1.968  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.585  -6.685   2.971  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.873  -7.587   0.440  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.515  -5.922  -0.150  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.884  -6.441   3.204  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.246  -8.988   1.924  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.479  -8.307  -0.278  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.954  -7.725   0.469  1.00  0.42           H   new
ATOM    397  N   ALA C  31      -0.059  -7.516   0.965  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.308  -7.029   1.000  1.00  0.37           C
ATOM    399  C   ALA C  31       1.460  -5.798   0.121  1.00  0.36           C
ATOM    400  O   ALA C  31       1.319  -5.877  -1.103  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.272  -8.117   0.557  1.00  0.47           C
ATOM      0  H   ALA C  31      -0.306  -8.014   0.110  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.546  -6.751   2.027  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.292  -7.734   0.589  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.185  -8.974   1.224  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.032  -8.424  -0.461  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.757  -4.670   0.748  1.00  0.32           N
ATOM    408  CA  ALA C  32       1.931  -3.408   0.043  1.00  0.35           C
ATOM    409  C   ALA C  32       2.452  -2.348   0.999  1.00  0.33           C
ATOM    410  O   ALA C  32       1.984  -2.251   2.133  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.619  -2.948  -0.582  1.00  0.37           C
ATOM      0  H   ALA C  32       1.884  -4.603   1.758  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.656  -3.559  -0.757  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.776  -2.003  -1.103  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.270  -3.699  -1.290  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32      -0.128  -2.812   0.200  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.421  -1.570   0.544  1.00  0.38           N
ATOM    418  CA  ALA C  33       3.977  -0.490   1.342  1.00  0.38           C
ATOM    419  C   ALA C  33       3.825   0.829   0.608  1.00  0.37           C
ATOM    420  O   ALA C  33       4.293   0.979  -0.520  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.436  -0.752   1.659  1.00  0.45           C
ATOM      0  H   ALA C  33       3.841  -1.668  -0.380  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.429  -0.437   2.283  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       5.832   0.069   2.257  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.525  -1.684   2.218  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.002  -0.830   0.731  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.165   1.775   1.248  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.883   3.057   0.629  1.00  0.36           C
ATOM    429  C   PHE C  34       2.573   4.097   1.690  1.00  0.32           C
ATOM    430  O   PHE C  34       2.407   3.770   2.862  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.693   2.927  -0.329  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.432   2.418   0.323  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.190   1.057   0.426  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.510   3.301   0.828  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.964   0.587   1.021  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.667   2.837   1.424  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.893   1.478   1.520  1.00  0.61           C
ATOM      0  H   PHE C  34       2.813   1.680   2.200  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.763   3.374   0.069  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.491   3.901  -0.775  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.966   2.254  -1.142  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.913   0.356   0.036  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.337   4.365   0.755  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -1.140  -0.476   1.096  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.393   3.535   1.814  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.796   1.112   1.985  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.510   5.348   1.278  1.00  0.32           N
ATOM    448  CA  HIS C  35       2.048   6.405   2.158  1.00  0.32           C
ATOM    449  C   HIS C  35       0.569   6.631   1.885  1.00  0.33           C
ATOM    450  O   HIS C  35       0.152   6.749   0.729  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.822   7.710   1.926  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.317   7.577   1.956  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.101   8.267   1.070  1.00  0.42           N
ATOM    454  CD2 HIS C  35       5.113   6.838   2.764  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.349   7.941   1.347  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.411   7.072   2.372  1.00  0.42           N
ATOM      0  H   HIS C  35       2.772   5.658   0.342  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.213   6.106   3.193  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.529   8.122   0.960  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.522   8.432   2.685  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.791   6.188   3.564  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.210   8.323   0.819  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.254   6.666   2.778  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.215   6.659   2.954  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.665   6.809   2.867  1.00  0.34           C
ATOM    466  C   TRP C  36      -2.057   8.071   2.100  1.00  0.28           C
ATOM    467  O   TRP C  36      -3.018   8.068   1.334  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.266   6.841   4.276  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.747   7.068   4.303  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.388   8.250   4.537  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.771   6.091   4.088  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.744   8.070   4.481  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -6.007   6.751   4.205  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.761   4.721   3.803  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -7.222   6.091   4.050  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.969   4.065   3.651  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -7.184   4.751   3.775  1.00  0.68           C
ATOM      0  H   TRP C  36       0.135   6.578   3.909  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -2.060   5.954   2.319  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -2.044   5.898   4.776  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.778   7.628   4.850  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.897   9.191   4.737  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.445   8.798   4.621  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.828   4.186   3.704  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -8.161   6.617   4.143  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.976   3.007   3.433  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -8.111   4.211   3.651  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.292   9.136   2.292  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.584  10.419   1.660  1.00  0.44           C
ATOM    490  C   ARG C  37      -1.290  10.388   0.163  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.729  11.261  -0.585  1.00  0.51           O
ATOM    492  CB  ARG C  37      -0.773  11.524   2.331  1.00  0.61           C
ATOM    493  CG  ARG C  37      -1.126  11.709   3.792  1.00  0.70           C
ATOM    494  CD  ARG C  37      -0.188  12.678   4.483  1.00  1.05           C
ATOM    495  NE  ARG C  37      -0.520  12.828   5.897  1.00  1.72           N
ATOM    496  CZ  ARG C  37       0.346  13.222   6.828  1.00  2.32           C
ATOM    497  NH1 ARG C  37       1.604  13.486   6.498  1.00  2.37           N
ATOM    498  NH2 ARG C  37      -0.043  13.335   8.090  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.460   9.139   2.883  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.648  10.621   1.785  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.289  11.292   2.245  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -0.938  12.462   1.801  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -2.150  12.074   3.874  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -1.089  10.745   4.299  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       0.839  12.325   4.385  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37      -0.240  13.649   3.991  1.00  1.05           H   new
ATOM      0  HE  ARG C  37      -1.474  12.618   6.189  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       1.909  13.387   5.530  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       2.266  13.788   7.213  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37      -1.006  13.120   8.348  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       0.621  13.637   8.803  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.552   9.376  -0.267  1.00  0.37           N
ATOM    513  CA  CYS C  38      -0.180   9.241  -1.665  1.00  0.36           C
ATOM    514  C   CYS C  38      -1.213   8.413  -2.419  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.333   8.510  -3.639  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.212   8.621  -1.757  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.411   9.511  -0.746  1.00  0.54           S
ATOM      0  H   CYS C  38      -0.198   8.634   0.336  1.00  0.37           H   new
ATOM      0  HA  CYS C  38      -0.154  10.225  -2.133  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.168   7.580  -1.436  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.542   8.621  -2.796  1.00  0.34           H   new
ATOM    522  N   HIS C  39      -1.959   7.599  -1.682  1.00  0.35           N
ATOM    523  CA  HIS C  39      -3.047   6.824  -2.266  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.367   7.566  -2.121  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.188   7.581  -3.036  1.00  0.61           O
ATOM    526  CB  HIS C  39      -3.154   5.447  -1.609  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.308   4.398  -2.258  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.818   3.204  -2.714  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.981   4.357  -2.513  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.843   2.471  -3.216  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.714   3.149  -3.109  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.831   7.458  -0.680  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.828   6.688  -3.325  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.869   5.532  -0.561  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -4.195   5.125  -1.631  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.263   5.132  -2.289  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -1.949   1.484  -3.642  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.204   2.828  -3.418  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.566   8.177  -0.965  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.785   8.919  -0.687  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.454  10.377  -0.370  1.00  0.54           C
ATOM    543  O   PHE C  40      -5.431  10.781   0.794  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.537   8.275   0.481  1.00  0.51           C
ATOM    545  CG  PHE C  40      -7.038   6.886   0.188  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -6.224   5.782   0.388  1.00  0.55           C
ATOM    547  CD2 PHE C  40      -8.325   6.686  -0.286  1.00  0.71           C
ATOM    548  CE1 PHE C  40      -6.683   4.507   0.120  1.00  0.66           C
ATOM    549  CE2 PHE C  40      -8.789   5.413  -0.556  1.00  0.80           C
ATOM    550  CZ  PHE C  40      -7.967   4.323  -0.353  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.893   8.173  -0.198  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.424   8.893  -1.570  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.879   8.238   1.349  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.383   8.908   0.749  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -5.219   5.920   0.758  1.00  0.55           H   new
ATOM      0  HD2 PHE C  40      -8.973   7.535  -0.446  1.00  0.71           H   new
ATOM      0  HE1 PHE C  40      -6.038   3.655   0.280  1.00  0.66           H   new
ATOM      0  HE2 PHE C  40      -9.794   5.271  -0.926  1.00  0.80           H   new
ATOM      0  HZ  PHE C  40      -8.328   3.327  -0.564  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -5.206  11.190  -1.412  1.00  0.89           N
ATOM    561  CA  PRO C  41      -4.775  12.580  -1.249  1.00  1.04           C
ATOM    562  C   PRO C  41      -5.941  13.540  -1.021  1.00  1.30           C
ATOM    563  O   PRO C  41      -5.776  14.760  -1.078  1.00  1.93           O
ATOM    564  CB  PRO C  41      -4.095  12.873  -2.583  1.00  1.81           C
ATOM    565  CG  PRO C  41      -4.848  12.048  -3.574  1.00  2.12           C
ATOM    566  CD  PRO C  41      -5.326  10.821  -2.837  1.00  1.43           C
ATOM      0  HA  PRO C  41      -4.136  12.714  -0.376  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -4.145  13.934  -2.830  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -3.040  12.600  -2.559  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -5.690  12.607  -3.984  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -4.210  11.772  -4.413  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -6.354  10.573  -3.100  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -4.717   9.949  -3.076  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -7.119  12.984  -0.770  1.00  1.64           N
ATOM    575  CA  ALA C  42      -8.313  13.787  -0.536  1.00  2.34           C
ATOM    576  C   ALA C  42      -8.424  14.196   0.930  1.00  1.92           C
ATOM    577  O   ALA C  42      -9.376  14.872   1.328  1.00  2.41           O
ATOM    578  CB  ALA C  42      -9.555  13.024  -0.968  1.00  3.30           C
ATOM      0  H   ALA C  42      -7.274  11.977  -0.723  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -8.231  14.695  -1.133  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42     -10.439  13.636  -0.787  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -9.487  12.789  -2.030  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -9.631  12.099  -0.396  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -7.448  13.788   1.730  1.00  1.37           N
ATOM    585  CA  GLY C  43      -7.492  14.064   3.153  1.00  1.46           C
ATOM    586  C   GLY C  43      -8.233  12.981   3.910  1.00  1.21           C
ATOM    587  O   GLY C  43      -8.761  13.218   4.998  1.00  1.41           O
ATOM      0  H   GLY C  43      -6.626  13.270   1.419  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -6.476  14.148   3.539  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43      -7.978  15.025   3.323  1.00  1.46           H   new
ATOM    591  N   THR C  44      -8.276  11.796   3.316  1.00  0.90           N
ATOM    592  CA  THR C  44      -8.948  10.649   3.904  1.00  0.76           C
ATOM    593  C   THR C  44      -8.300  10.268   5.236  1.00  0.65           C
ATOM    594  O   THR C  44      -7.098  10.452   5.427  1.00  0.73           O
ATOM    595  CB  THR C  44      -8.877   9.456   2.932  1.00  0.83           C
ATOM    596  OG1 THR C  44      -9.154   9.915   1.602  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.875   8.372   3.311  1.00  0.99           C
ATOM      0  H   THR C  44      -7.845  11.604   2.412  1.00  0.90           H   new
ATOM      0  HA  THR C  44      -9.990  10.911   4.088  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -7.876   9.029   2.985  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -9.573   9.194   1.088  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.799   7.545   2.605  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.657   8.012   4.317  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.885   8.781   3.283  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.091   9.724   6.148  1.00  0.67           N
ATOM    606  CA  SER C  45      -8.601   9.388   7.471  1.00  0.69           C
ATOM    607  C   SER C  45      -8.009   7.982   7.481  1.00  0.61           C
ATOM    608  O   SER C  45      -8.686   7.011   7.138  1.00  0.66           O
ATOM    609  CB  SER C  45      -9.742   9.486   8.484  1.00  0.91           C
ATOM    610  OG  SER C  45     -10.390  10.746   8.400  1.00  1.60           O
ATOM      0  H   SER C  45     -10.076   9.507   5.994  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -7.816  10.093   7.745  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -10.463   8.689   8.303  1.00  0.91           H   new
ATOM      0  HB3 SER C  45      -9.352   9.340   9.491  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -11.117  10.784   9.056  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -6.736   7.892   7.855  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.030   6.618   7.914  1.00  0.70           C
ATOM    618  C   ARG C  46      -6.643   5.702   8.971  1.00  0.82           C
ATOM    619  O   ARG C  46      -6.687   6.053  10.151  1.00  0.97           O
ATOM    620  CB  ARG C  46      -4.549   6.854   8.229  1.00  0.86           C
ATOM    621  CG  ARG C  46      -3.759   5.570   8.420  1.00  1.10           C
ATOM    622  CD  ARG C  46      -2.301   5.849   8.745  1.00  1.09           C
ATOM    623  NE  ARG C  46      -2.139   6.614   9.982  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -1.256   6.314  10.936  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -0.514   5.215  10.847  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -1.135   7.100  11.997  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.168   8.696   8.124  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.122   6.133   6.942  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.101   7.430   7.420  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.469   7.458   9.133  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -4.205   4.985   9.224  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -3.821   4.967   7.514  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -1.765   4.904   8.833  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -1.847   6.398   7.920  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -2.738   7.427  10.124  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -0.617   4.593  10.045  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       0.159   4.993  11.581  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -1.717   7.933  12.083  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46      -0.460   6.871  12.727  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.126   4.518   8.564  1.00  0.82           N
ATOM    641  CA  PRO C  47      -7.726   3.555   9.489  1.00  1.01           C
ATOM    642  C   PRO C  47      -6.707   3.023  10.487  1.00  1.13           C
ATOM    643  O   PRO C  47      -5.603   2.627  10.115  1.00  1.14           O
ATOM    644  CB  PRO C  47      -8.224   2.419   8.584  1.00  1.02           C
ATOM    645  CG  PRO C  47      -8.197   2.969   7.199  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.123   4.017   7.183  1.00  0.70           C
ATOM      0  HA  PRO C  47      -8.519   4.008  10.083  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -7.584   1.541   8.669  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -9.231   2.108   8.863  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -7.985   2.184   6.473  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -9.163   3.398   6.932  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.155   3.598   6.908  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -7.343   4.809   6.467  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -7.083   3.020  11.756  1.00  1.31           N
ATOM    655  CA  GLY C  48      -6.199   2.526  12.789  1.00  1.49           C
ATOM    656  C   GLY C  48      -6.495   1.086  13.141  1.00  1.61           C
ATOM    657  O   GLY C  48      -5.680   0.408  13.767  1.00  1.90           O
ATOM      0  H   GLY C  48      -7.988   3.352  12.090  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -5.165   2.613  12.455  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -6.299   3.146  13.680  1.00  1.49           H   new
ATOM    661  N   THR C  49      -7.664   0.617  12.731  1.00  1.53           N
ATOM    662  CA  THR C  49      -8.077  -0.752  12.995  1.00  1.70           C
ATOM    663  C   THR C  49      -7.791  -1.652  11.793  1.00  1.25           C
ATOM    664  O   THR C  49      -8.567  -2.553  11.472  1.00  1.89           O
ATOM    665  CB  THR C  49      -9.577  -0.815  13.348  1.00  2.25           C
ATOM    666  OG1 THR C  49     -10.340  -0.083  12.377  1.00  2.72           O
ATOM    667  CG2 THR C  49      -9.834  -0.240  14.732  1.00  2.75           C
ATOM      0  H   THR C  49      -8.347   1.169  12.211  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -7.499  -1.111  13.847  1.00  1.70           H   new
ATOM      0  HB  THR C  49      -9.883  -1.861  13.342  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -11.292  -0.129  12.607  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -10.899  -0.296  14.957  1.00  2.75           H   new
ATOM      0 HG22 THR C  49      -9.276  -0.812  15.473  1.00  2.75           H   new
ATOM      0 HG23 THR C  49      -9.512   0.801  14.759  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -6.670  -1.396  11.134  1.00  0.82           N
ATOM    676  CA  GLY C  50      -6.298  -2.172   9.971  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.107  -1.300   8.751  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.062  -0.708   8.249  1.00  0.60           O
ATOM      0  H   GLY C  50      -6.009  -0.661  11.386  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -5.376  -2.716  10.177  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -7.069  -2.916   9.769  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -4.877  -1.221   8.276  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.547  -0.382   7.137  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.871  -1.122   5.840  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.386  -2.232   5.606  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.058   0.003   7.196  1.00  0.50           C
ATOM    687  CG  LEU C  51      -2.625   1.228   6.373  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.636   0.933   4.882  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -3.517   2.422   6.680  1.00  0.86           C
ATOM      0  H   LEU C  51      -4.084  -1.732   8.665  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.141   0.531   7.167  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -2.795   0.184   8.238  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.472  -0.854   6.863  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -1.601   1.469   6.659  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.325   1.822   4.333  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -1.949   0.115   4.668  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.643   0.651   4.574  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -3.195   3.279   6.088  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -4.550   2.178   6.432  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.446   2.666   7.740  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.702  -0.512   5.009  1.00  0.32           N
ATOM    702  CA  ARG C  52      -6.084  -1.111   3.741  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.514  -0.316   2.577  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.351   0.900   2.659  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.605  -1.186   3.602  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.283  -2.098   4.606  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.747  -2.307   4.250  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.439  -3.158   5.215  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.403  -4.024   4.893  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -11.758  -4.197   3.623  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -12.008  -4.726   5.844  1.00  2.65           N
ATOM      0  H   ARG C  52      -6.125   0.398   5.191  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.677  -2.122   3.723  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -8.017  -0.182   3.706  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.849  -1.528   2.596  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.771  -3.060   4.633  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -8.206  -1.667   5.604  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52     -10.247  -1.340   4.198  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.817  -2.755   3.259  1.00  0.79           H   new
ATOM      0  HE  ARG C  52     -10.169  -3.086   6.196  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.293  -3.666   2.887  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -12.495  -4.861   3.385  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -11.736  -4.603   6.819  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -12.745  -5.388   5.599  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -5.206  -1.016   1.500  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.752  -0.381   0.278  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.947  -0.151  -0.638  1.00  0.45           C
ATOM    728  O   CYS C  53      -7.054  -0.570  -0.304  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.716  -1.259  -0.424  1.00  0.47           C
ATOM    730  SG  CYS C  53      -4.407  -2.785  -1.097  1.00  0.49           S
ATOM      0  H   CYS C  53      -5.263  -2.033   1.448  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -4.286   0.574   0.520  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -3.256  -0.690  -1.232  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.924  -1.508   0.282  1.00  0.47           H   new
ATOM    735  N   ARG C  54      -5.733   0.461  -1.795  1.00  0.58           N
ATOM    736  CA  ARG C  54      -6.839   0.773  -2.698  1.00  0.68           C
ATOM    737  C   ARG C  54      -7.594  -0.497  -3.107  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.811  -0.475  -3.282  1.00  0.68           O
ATOM    739  CB  ARG C  54      -6.340   1.561  -3.926  1.00  0.87           C
ATOM    740  CG  ARG C  54      -5.246   0.878  -4.739  1.00  1.28           C
ATOM    741  CD  ARG C  54      -5.820  -0.029  -5.818  1.00  1.82           C
ATOM    742  NE  ARG C  54      -4.779  -0.719  -6.578  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -5.016  -1.741  -7.400  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -6.259  -2.162  -7.600  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -4.013  -2.345  -8.024  1.00  4.09           N
ATOM      0  H   ARG C  54      -4.814   0.750  -2.131  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -7.544   1.410  -2.164  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -7.189   1.756  -4.582  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -5.969   2.529  -3.589  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -4.612   1.635  -5.201  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -4.611   0.293  -4.073  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -6.478  -0.766  -5.357  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -6.431   0.563  -6.499  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -3.816  -0.400  -6.473  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -7.036  -1.703  -7.124  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -6.437  -2.944  -8.230  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -3.055  -2.028  -7.876  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -4.200  -3.127  -8.652  1.00  4.09           H   new
ATOM    759  N   SER C  55      -6.870  -1.604  -3.225  1.00  0.62           N
ATOM    760  CA  SER C  55      -7.467  -2.881  -3.588  1.00  0.65           C
ATOM    761  C   SER C  55      -8.343  -3.425  -2.457  1.00  0.60           C
ATOM    762  O   SER C  55      -9.505  -3.769  -2.668  1.00  0.68           O
ATOM    763  CB  SER C  55      -6.368  -3.884  -3.917  1.00  0.72           C
ATOM    764  OG  SER C  55      -5.409  -3.322  -4.796  1.00  1.54           O
ATOM      0  H   SER C  55      -5.862  -1.641  -3.073  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -8.100  -2.727  -4.462  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -5.878  -4.206  -2.998  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -6.807  -4.772  -4.372  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -4.714  -3.986  -4.990  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.781  -3.486  -1.253  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.491  -4.038  -0.100  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.601  -3.095   0.375  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.498  -3.500   1.118  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.514  -4.339   1.041  1.00  0.50           C
ATOM    775  SG  CYS C  56      -6.246  -5.568   0.634  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.836  -3.160  -1.049  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.958  -4.972  -0.412  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -7.023  -3.412   1.337  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -8.079  -4.690   1.904  1.00  0.50           H   new
ATOM    780  N   SER C  57      -9.528  -1.837  -0.039  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.591  -0.879   0.235  1.00  0.74           C
ATOM    782  C   SER C  57     -11.593  -0.857  -0.916  1.00  0.89           C
ATOM    783  O   SER C  57     -12.592  -0.136  -0.877  1.00  1.13           O
ATOM    784  CB  SER C  57     -10.007   0.519   0.451  1.00  0.78           C
ATOM    785  OG  SER C  57      -9.089   0.524   1.530  1.00  1.25           O
ATOM      0  H   SER C  57      -8.743  -1.456  -0.567  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -11.107  -1.186   1.145  1.00  0.74           H   new
ATOM      0  HB2 SER C  57      -9.507   0.853  -0.458  1.00  0.78           H   new
ATOM      0  HB3 SER C  57     -10.812   1.227   0.650  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -8.219   0.196   1.221  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.321  -1.662  -1.939  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.194  -1.730  -3.090  1.00  1.06           C
ATOM    793  C   GLY C  58     -13.425  -2.566  -2.820  1.00  1.50           C
ATOM    794  O   GLY C  58     -13.427  -3.776  -3.047  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.504  -2.271  -1.988  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -12.496  -0.722  -3.376  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -11.648  -2.151  -3.934  1.00  1.06           H   new
ATOM    798  N   ASP C  59     -14.474  -1.921  -2.337  1.00  2.14           N
ATOM    799  CA  ASP C  59     -15.716  -2.608  -2.009  1.00  3.08           C
ATOM    800  C   ASP C  59     -16.629  -2.658  -3.221  1.00  3.78           C
ATOM    801  O   ASP C  59     -17.674  -3.308  -3.206  1.00  4.32           O
ATOM    802  CB  ASP C  59     -16.433  -1.901  -0.854  1.00  3.95           C
ATOM    803  CG  ASP C  59     -16.940  -0.523  -1.238  1.00  4.66           C
ATOM    804  OD1 ASP C  59     -16.108   0.389  -1.436  1.00  5.12           O
ATOM    805  OD2 ASP C  59     -18.172  -0.346  -1.351  1.00  5.15           O
ATOM      0  H   ASP C  59     -14.491  -0.916  -2.162  1.00  2.14           H   new
ATOM      0  HA  ASP C  59     -15.471  -3.625  -1.704  1.00  3.08           H   new
ATOM      0  HB2 ASP C  59     -17.272  -2.513  -0.523  1.00  3.95           H   new
ATOM      0  HB3 ASP C  59     -15.751  -1.811  -0.009  1.00  3.95           H   new
ATOM    810  N   VAL C  60     -16.209  -1.989  -4.277  1.00  4.28           N
ATOM    811  CA  VAL C  60     -16.998  -1.897  -5.491  1.00  5.35           C
ATOM    812  C   VAL C  60     -16.689  -3.059  -6.431  1.00  6.12           C
ATOM    813  O   VAL C  60     -16.052  -2.897  -7.471  1.00  6.50           O
ATOM    814  CB  VAL C  60     -16.768  -0.547  -6.206  1.00  5.93           C
ATOM    815  CG1 VAL C  60     -17.437   0.577  -5.430  1.00  6.76           C
ATOM    816  CG2 VAL C  60     -15.282  -0.255  -6.374  1.00  6.03           C
ATOM      0  H   VAL C  60     -15.317  -1.496  -4.319  1.00  4.28           H   new
ATOM      0  HA  VAL C  60     -18.049  -1.955  -5.207  1.00  5.35           H   new
ATOM      0  HB  VAL C  60     -17.213  -0.612  -7.199  1.00  5.93           H   new
ATOM      0 HG11 VAL C  60     -17.268   1.524  -5.943  1.00  6.76           H   new
ATOM      0 HG12 VAL C  60     -18.508   0.386  -5.364  1.00  6.76           H   new
ATOM      0 HG13 VAL C  60     -17.015   0.628  -4.426  1.00  6.76           H   new
ATOM      0 HG21 VAL C  60     -15.154   0.702  -6.880  1.00  6.03           H   new
ATOM      0 HG22 VAL C  60     -14.806  -0.213  -5.394  1.00  6.03           H   new
ATOM      0 HG23 VAL C  60     -14.821  -1.044  -6.968  1.00  6.03           H   new
ATOM    826  N   THR C  61     -17.155  -4.235  -6.048  1.00  6.63           N
ATOM    827  CA  THR C  61     -16.951  -5.434  -6.838  1.00  7.54           C
ATOM    828  C   THR C  61     -17.735  -5.342  -8.147  1.00  8.48           C
ATOM    829  O   THR C  61     -18.955  -5.155  -8.131  1.00  8.83           O
ATOM    830  CB  THR C  61     -17.389  -6.680  -6.047  1.00  7.91           C
ATOM    831  OG1 THR C  61     -16.738  -6.682  -4.766  1.00  7.75           O
ATOM    832  CG2 THR C  61     -17.041  -7.959  -6.795  1.00  8.22           C
ATOM      0  H   THR C  61     -17.681  -4.384  -5.187  1.00  6.63           H   new
ATOM      0  HA  THR C  61     -15.889  -5.522  -7.067  1.00  7.54           H   new
ATOM      0  HB  THR C  61     -18.471  -6.644  -5.920  1.00  7.91           H   new
ATOM      0  HG1 THR C  61     -17.016  -7.473  -4.259  1.00  7.75           H   new
ATOM      0 HG21 THR C  61     -17.363  -8.821  -6.211  1.00  8.22           H   new
ATOM      0 HG22 THR C  61     -17.547  -7.965  -7.760  1.00  8.22           H   new
ATOM      0 HG23 THR C  61     -15.963  -8.008  -6.950  1.00  8.22           H   new
ATOM    840  N   PRO C  62     -17.039  -5.448  -9.291  1.00  9.10           N
ATOM    841  CA  PRO C  62     -17.661  -5.322 -10.613  1.00 10.15           C
ATOM    842  C   PRO C  62     -18.741  -6.370 -10.842  1.00 10.94           C
ATOM    843  O   PRO C  62     -18.597  -7.530 -10.444  1.00 11.04           O
ATOM    844  CB  PRO C  62     -16.497  -5.525 -11.594  1.00 10.68           C
ATOM    845  CG  PRO C  62     -15.428  -6.192 -10.801  1.00 10.16           C
ATOM    846  CD  PRO C  62     -15.593  -5.706  -9.390  1.00  9.07           C
ATOM      0  HA  PRO C  62     -18.162  -4.361 -10.732  1.00 10.15           H   new
ATOM      0  HB2 PRO C  62     -16.800  -6.140 -12.442  1.00 10.68           H   new
ATOM      0  HB3 PRO C  62     -16.152  -4.573 -11.997  1.00 10.68           H   new
ATOM      0  HG2 PRO C  62     -15.523  -7.277 -10.853  1.00 10.16           H   new
ATOM      0  HG3 PRO C  62     -14.441  -5.939 -11.187  1.00 10.16           H   new
ATOM      0  HD2 PRO C  62     -15.267  -6.453  -8.666  1.00  9.07           H   new
ATOM      0  HD3 PRO C  62     -15.009  -4.805  -9.204  1.00  9.07           H   new
ATOM    854  N   ALA C  63     -19.828  -5.947 -11.467  1.00 11.65           N
ATOM    855  CA  ALA C  63     -20.937  -6.837 -11.754  1.00 12.54           C
ATOM    856  C   ALA C  63     -20.574  -7.794 -12.881  1.00 13.45           C
ATOM    857  O   ALA C  63     -19.945  -7.395 -13.865  1.00 13.86           O
ATOM    858  CB  ALA C  63     -22.180  -6.036 -12.117  1.00 13.10           C
ATOM      0  H   ALA C  63     -19.964  -4.988 -11.786  1.00 11.65           H   new
ATOM      0  HA  ALA C  63     -21.151  -7.422 -10.860  1.00 12.54           H   new
ATOM      0  HB1 ALA C  63     -23.003  -6.718 -12.330  1.00 13.10           H   new
ATOM      0  HB2 ALA C  63     -22.452  -5.388 -11.284  1.00 13.10           H   new
ATOM      0  HB3 ALA C  63     -21.976  -5.428 -12.998  1.00 13.10           H   new
ATOM    864  N   PRO C  64     -20.964  -9.070 -12.758  1.00 13.89           N
ATOM    865  CA  PRO C  64     -20.696 -10.085 -13.779  1.00 14.85           C
ATOM    866  C   PRO C  64     -21.654  -9.977 -14.963  1.00 15.87           C
ATOM    867  O   PRO C  64     -22.089 -10.982 -15.524  1.00 16.55           O
ATOM    868  CB  PRO C  64     -20.914 -11.394 -13.025  1.00 15.07           C
ATOM    869  CG  PRO C  64     -21.935 -11.064 -11.997  1.00 14.50           C
ATOM    870  CD  PRO C  64     -21.693  -9.630 -11.605  1.00 13.64           C
ATOM      0  HA  PRO C  64     -19.701  -9.987 -14.213  1.00 14.85           H   new
ATOM      0  HB2 PRO C  64     -21.262 -12.183 -13.692  1.00 15.07           H   new
ATOM      0  HB3 PRO C  64     -19.990 -11.748 -12.568  1.00 15.07           H   new
ATOM      0  HG2 PRO C  64     -22.942 -11.194 -12.394  1.00 14.50           H   new
ATOM      0  HG3 PRO C  64     -21.845 -11.723 -11.134  1.00 14.50           H   new
ATOM      0  HD2 PRO C  64     -22.629  -9.100 -11.427  1.00 13.64           H   new
ATOM      0  HD3 PRO C  64     -21.108  -9.559 -10.688  1.00 13.64           H   new
ATOM    878  N   VAL C  65     -21.975  -8.748 -15.333  1.00 16.09           N
ATOM    879  CA  VAL C  65     -22.890  -8.485 -16.430  1.00 17.13           C
ATOM    880  C   VAL C  65     -22.173  -7.701 -17.519  1.00 17.88           C
ATOM    881  O   VAL C  65     -21.717  -6.578 -17.288  1.00 18.07           O
ATOM    882  CB  VAL C  65     -24.130  -7.690 -15.958  1.00 17.14           C
ATOM    883  CG1 VAL C  65     -25.111  -7.482 -17.102  1.00 17.22           C
ATOM    884  CG2 VAL C  65     -24.811  -8.391 -14.791  1.00 16.99           C
ATOM      0  H   VAL C  65     -21.610  -7.908 -14.883  1.00 16.09           H   new
ATOM      0  HA  VAL C  65     -23.229  -9.445 -16.820  1.00 17.13           H   new
ATOM      0  HB  VAL C  65     -23.791  -6.711 -15.619  1.00 17.14           H   new
ATOM      0 HG11 VAL C  65     -25.974  -6.921 -16.744  1.00 17.22           H   new
ATOM      0 HG12 VAL C  65     -24.623  -6.926 -17.903  1.00 17.22           H   new
ATOM      0 HG13 VAL C  65     -25.440  -8.450 -17.480  1.00 17.22           H   new
ATOM      0 HG21 VAL C  65     -25.680  -7.813 -14.477  1.00 16.99           H   new
ATOM      0 HG22 VAL C  65     -25.130  -9.386 -15.100  1.00 16.99           H   new
ATOM      0 HG23 VAL C  65     -24.112  -8.476 -13.959  1.00 16.99           H   new
ATOM    894  N   GLU C  66     -22.051  -8.301 -18.691  1.00 18.42           N
ATOM    895  CA  GLU C  66     -21.386  -7.656 -19.811  1.00 19.24           C
ATOM    896  C   GLU C  66     -22.401  -6.855 -20.621  1.00 19.89           C
ATOM    897  O   GLU C  66     -23.100  -7.459 -21.458  1.00 20.26           O
ATOM    898  CB  GLU C  66     -20.709  -8.699 -20.707  1.00 19.51           C
ATOM    899  CG  GLU C  66     -19.729  -9.611 -19.981  1.00 19.47           C
ATOM    900  CD  GLU C  66     -18.514  -8.881 -19.445  1.00 19.59           C
ATOM    901  OE1 GLU C  66     -17.624  -8.527 -20.246  1.00 19.53           O
ATOM    902  OE2 GLU C  66     -18.424  -8.690 -18.215  1.00 19.84           O
ATOM    903  OXT GLU C  66     -22.511  -5.629 -20.406  1.00 20.13           O
ATOM      0  H   GLU C  66     -22.405  -9.236 -18.892  1.00 18.42           H   new
ATOM      0  HA  GLU C  66     -20.621  -6.983 -19.424  1.00 19.24           H   new
ATOM      0  HB2 GLU C  66     -21.479  -9.312 -21.175  1.00 19.51           H   new
ATOM      0  HB3 GLU C  66     -20.181  -8.183 -21.509  1.00 19.51           H   new
ATOM      0  HG2 GLU C  66     -20.244 -10.101 -19.154  1.00 19.47           H   new
ATOM      0  HG3 GLU C  66     -19.401 -10.396 -20.662  1.00 19.47           H   new
TER     910      GLU C  66
HETATM  911 ZN    ZN C 101       4.478   8.519  -0.808  1.00  0.44          ZN
HETATM  912 ZN    ZN C 102      -4.222  -4.498   0.430  1.00  0.49          ZN