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 Set 1.1: C  28 THR OG1 :   rot  -63:sc=   -0.51
USER  MOD Set 1.2: C  29 HIS     :     no HD1:sc=  -0.445  X(o=-0.95,f=-0.74)
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  X(o=0,f=0)
USER  MOD Single : C   7 GLN     :      amide:sc=       0  K(o=0,f=-0.65)
USER  MOD Single : C   8 ASN     :      amide:sc=-0.00381  K(o=-0.0038,f=-0.82)
USER  MOD Single : C  22 THR OG1 :   rot   93:sc=    1.29
USER  MOD Single : C  39 HIS     :     no HD1:sc= -0.0167  X(o=-0.017,f=0)
USER  MOD Single : C  44 THR OG1 :   rot -179:sc=   -1.46!
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot  -43:sc=   0.445
USER  MOD Single : C  61 THR OG1 :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY C   1      21.075   3.131  13.316  1.00 20.38           N
ATOM      2  CA  GLY C   1      21.294   4.043  12.170  1.00 19.89           C
ATOM      3  C   GLY C   1      22.056   3.380  11.043  1.00 19.10           C
ATOM      4  O   GLY C   1      21.468   2.957  10.048  1.00 18.87           O
ATOM      0  H1  GLY C   1      20.550   3.630  14.062  1.00 20.38           H   new
ATOM      0  H2  GLY C   1      20.528   2.304  13.002  1.00 20.38           H   new
ATOM      0  H3  GLY C   1      21.993   2.817  13.690  1.00 20.38           H   new
ATOM      0  HA2 GLY C   1      20.331   4.392  11.798  1.00 19.89           H   new
ATOM      0  HA3 GLY C   1      21.843   4.922  12.508  1.00 19.89           H   new
ATOM     10  N   ALA C   2      23.368   3.271  11.201  1.00 18.81           N
ATOM     11  CA  ALA C   2      24.218   2.713  10.159  1.00 18.18           C
ATOM     12  C   ALA C   2      24.596   1.269  10.468  1.00 17.47           C
ATOM     13  O   ALA C   2      25.761   0.965  10.734  1.00 17.29           O
ATOM     14  CB  ALA C   2      25.466   3.568   9.986  1.00 18.51           C
ATOM      0  H   ALA C   2      23.867   3.562  12.042  1.00 18.81           H   new
ATOM      0  HA  ALA C   2      23.656   2.716   9.225  1.00 18.18           H   new
ATOM      0  HB1 ALA C   2      26.094   3.141   9.204  1.00 18.51           H   new
ATOM      0  HB2 ALA C   2      25.177   4.581   9.706  1.00 18.51           H   new
ATOM      0  HB3 ALA C   2      26.022   3.595  10.923  1.00 18.51           H   new
ATOM     20  N   MET C   3      23.613   0.380  10.446  1.00 17.21           N
ATOM     21  CA  MET C   3      23.867  -1.034  10.698  1.00 16.67           C
ATOM     22  C   MET C   3      23.299  -1.893   9.576  1.00 16.02           C
ATOM     23  O   MET C   3      23.061  -3.088   9.753  1.00 15.80           O
ATOM     24  CB  MET C   3      23.265  -1.468  12.038  1.00 16.93           C
ATOM     25  CG  MET C   3      23.860  -0.757  13.243  1.00 17.23           C
ATOM     26  SD  MET C   3      23.146  -1.315  14.801  1.00 17.56           S
ATOM     27  CE  MET C   3      23.989  -0.240  15.960  1.00 18.06           C
ATOM      0  H   MET C   3      22.637   0.609  10.258  1.00 17.21           H   new
ATOM      0  HA  MET C   3      24.947  -1.174  10.738  1.00 16.67           H   new
ATOM      0  HB2 MET C   3      22.190  -1.288  12.017  1.00 16.93           H   new
ATOM      0  HB3 MET C   3      23.406  -2.542  12.157  1.00 16.93           H   new
ATOM      0  HG2 MET C   3      24.937  -0.922  13.262  1.00 17.23           H   new
ATOM      0  HG3 MET C   3      23.704   0.317  13.140  1.00 17.23           H   new
ATOM      0  HE1 MET C   3      23.654  -0.463  16.973  1.00 18.06           H   new
ATOM      0  HE2 MET C   3      25.065  -0.402  15.890  1.00 18.06           H   new
ATOM      0  HE3 MET C   3      23.762   0.800  15.723  1.00 18.06           H   new
ATOM     37  N   GLU C   4      23.090  -1.286   8.417  1.00 15.89           N
ATOM     38  CA  GLU C   4      22.542  -2.005   7.277  1.00 15.45           C
ATOM     39  C   GLU C   4      23.658  -2.643   6.459  1.00 14.85           C
ATOM     40  O   GLU C   4      23.929  -2.234   5.329  1.00 14.73           O
ATOM     41  CB  GLU C   4      21.705  -1.076   6.395  1.00 15.88           C
ATOM     42  CG  GLU C   4      20.474  -0.514   7.090  1.00 16.30           C
ATOM     43  CD  GLU C   4      19.534  -1.598   7.579  1.00 16.61           C
ATOM     44  OE1 GLU C   4      18.723  -2.098   6.769  1.00 16.83           O
ATOM     45  OE2 GLU C   4      19.598  -1.953   8.775  1.00 16.78           O
ATOM      0  H   GLU C   4      23.291  -0.301   8.242  1.00 15.89           H   new
ATOM      0  HA  GLU C   4      21.893  -2.793   7.658  1.00 15.45           H   new
ATOM      0  HB2 GLU C   4      22.330  -0.249   6.059  1.00 15.88           H   new
ATOM      0  HB3 GLU C   4      21.391  -1.621   5.505  1.00 15.88           H   new
ATOM      0  HG2 GLU C   4      20.787   0.099   7.935  1.00 16.30           H   new
ATOM      0  HG3 GLU C   4      19.940   0.141   6.402  1.00 16.30           H   new
ATOM     52  N   GLY C   5      24.313  -3.639   7.042  1.00 14.66           N
ATOM     53  CA  GLY C   5      25.371  -4.343   6.344  1.00 14.26           C
ATOM     54  C   GLY C   5      24.829  -5.270   5.278  1.00 13.87           C
ATOM     55  O   GLY C   5      25.500  -5.553   4.282  1.00 13.77           O
ATOM      0  H   GLY C   5      24.130  -3.972   7.988  1.00 14.66           H   new
ATOM      0  HA2 GLY C   5      26.047  -3.620   5.886  1.00 14.26           H   new
ATOM      0  HA3 GLY C   5      25.957  -4.918   7.060  1.00 14.26           H   new
ATOM     59  N   GLN C   6      23.614  -5.748   5.487  1.00 13.82           N
ATOM     60  CA  GLN C   6      22.957  -6.608   4.517  1.00 13.64           C
ATOM     61  C   GLN C   6      22.107  -5.767   3.576  1.00 12.68           C
ATOM     62  O   GLN C   6      22.182  -5.930   2.358  1.00 12.45           O
ATOM     63  CB  GLN C   6      22.096  -7.655   5.225  1.00 14.30           C
ATOM     64  CG  GLN C   6      22.889  -8.573   6.140  1.00 14.92           C
ATOM     65  CD  GLN C   6      22.008  -9.542   6.901  1.00 15.49           C
ATOM     66  OE1 GLN C   6      21.736 -10.651   6.440  1.00 15.79           O
ATOM     67  NE2 GLN C   6      21.561  -9.135   8.078  1.00 15.80           N
ATOM      0  H   GLN C   6      23.061  -5.554   6.322  1.00 13.82           H   new
ATOM      0  HA  GLN C   6      23.717  -7.130   3.936  1.00 13.64           H   new
ATOM      0  HB2 GLN C   6      21.328  -7.148   5.809  1.00 14.30           H   new
ATOM      0  HB3 GLN C   6      21.581  -8.257   4.476  1.00 14.30           H   new
ATOM      0  HG2 GLN C   6      23.612  -9.134   5.548  1.00 14.92           H   new
ATOM      0  HG3 GLN C   6      23.457  -7.971   6.849  1.00 14.92           H   new
ATOM      0 HE21 GLN C   6      21.809  -8.208   8.425  1.00 15.80           H   new
ATOM      0 HE22 GLN C   6      20.969  -9.748   8.638  1.00 15.80           H   new
ATOM     76  N   GLN C   7      21.317  -4.861   4.158  1.00 12.28           N
ATOM     77  CA  GLN C   7      20.482  -3.929   3.398  1.00 11.51           C
ATOM     78  C   GLN C   7      19.634  -4.670   2.363  1.00 10.75           C
ATOM     79  O   GLN C   7      19.917  -4.633   1.161  1.00 10.49           O
ATOM     80  CB  GLN C   7      21.353  -2.866   2.717  1.00 11.80           C
ATOM     81  CG  GLN C   7      20.558  -1.768   2.024  1.00 12.20           C
ATOM     82  CD  GLN C   7      21.443  -0.748   1.337  1.00 12.74           C
ATOM     83  OE1 GLN C   7      22.546  -1.062   0.890  1.00 12.97           O
ATOM     84  NE2 GLN C   7      20.965   0.482   1.246  1.00 13.13           N
ATOM      0  H   GLN C   7      21.239  -4.753   5.169  1.00 12.28           H   new
ATOM      0  HA  GLN C   7      19.806  -3.433   4.095  1.00 11.51           H   new
ATOM      0  HB2 GLN C   7      22.006  -2.413   3.463  1.00 11.80           H   new
ATOM      0  HB3 GLN C   7      21.997  -3.353   1.984  1.00 11.80           H   new
ATOM      0  HG2 GLN C   7      19.891  -2.218   1.289  1.00 12.20           H   new
ATOM      0  HG3 GLN C   7      19.930  -1.262   2.757  1.00 12.20           H   new
ATOM      0 HE21 GLN C   7      20.046   0.702   1.629  1.00 13.13           H   new
ATOM      0 HE22 GLN C   7      21.516   1.211   0.792  1.00 13.13           H   new
ATOM     93  N   ASN C   8      18.598  -5.341   2.835  1.00 10.61           N
ATOM     94  CA  ASN C   8      17.753  -6.143   1.964  1.00 10.12           C
ATOM     95  C   ASN C   8      16.534  -5.353   1.515  1.00  9.04           C
ATOM     96  O   ASN C   8      16.001  -4.530   2.263  1.00  8.88           O
ATOM     97  CB  ASN C   8      17.317  -7.429   2.670  1.00 10.85           C
ATOM     98  CG  ASN C   8      18.487  -8.343   2.979  1.00 11.31           C
ATOM     99  OD1 ASN C   8      19.065  -8.289   4.064  1.00 11.47           O
ATOM    100  ND2 ASN C   8      18.854  -9.178   2.020  1.00 11.74           N
ATOM      0  H   ASN C   8      18.321  -5.347   3.817  1.00 10.61           H   new
ATOM      0  HA  ASN C   8      18.336  -6.409   1.082  1.00 10.12           H   new
ATOM      0  HB2 ASN C   8      16.803  -7.175   3.597  1.00 10.85           H   new
ATOM      0  HB3 ASN C   8      16.600  -7.960   2.043  1.00 10.85           H   new
ATOM      0 HD21 ASN C   8      19.643  -9.808   2.167  1.00 11.74           H   new
ATOM      0 HD22 ASN C   8      18.348  -9.192   1.134  1.00 11.74           H   new
ATOM    107  N   LEU C   9      16.099  -5.603   0.291  1.00  8.49           N
ATOM    108  CA  LEU C   9      14.972  -4.889  -0.280  1.00  7.55           C
ATOM    109  C   LEU C   9      13.896  -5.862  -0.744  1.00  6.52           C
ATOM    110  O   LEU C   9      14.130  -6.691  -1.625  1.00  6.53           O
ATOM    111  CB  LEU C   9      15.436  -4.017  -1.452  1.00  7.88           C
ATOM    112  CG  LEU C   9      14.338  -3.195  -2.137  1.00  8.24           C
ATOM    113  CD1 LEU C   9      13.704  -2.218  -1.159  1.00  8.67           C
ATOM    114  CD2 LEU C   9      14.902  -2.453  -3.338  1.00  8.72           C
ATOM      0  H   LEU C   9      16.513  -6.300  -0.328  1.00  8.49           H   new
ATOM      0  HA  LEU C   9      14.546  -4.247   0.492  1.00  7.55           H   new
ATOM      0  HB2 LEU C   9      16.206  -3.334  -1.092  1.00  7.88           H   new
ATOM      0  HB3 LEU C   9      15.903  -4.660  -2.198  1.00  7.88           H   new
ATOM      0  HG  LEU C   9      13.565  -3.881  -2.483  1.00  8.24           H   new
ATOM      0 HD11 LEU C   9      12.928  -1.646  -1.668  1.00  8.67           H   new
ATOM      0 HD12 LEU C   9      13.263  -2.769  -0.328  1.00  8.67           H   new
ATOM      0 HD13 LEU C   9      14.466  -1.538  -0.779  1.00  8.67           H   new
ATOM      0 HD21 LEU C   9      14.110  -1.874  -3.813  1.00  8.72           H   new
ATOM      0 HD22 LEU C   9      15.696  -1.781  -3.011  1.00  8.72           H   new
ATOM      0 HD23 LEU C   9      15.305  -3.171  -4.052  1.00  8.72           H   new
ATOM    126  N   ALA C  10      12.724  -5.768  -0.133  1.00  5.93           N
ATOM    127  CA  ALA C  10      11.582  -6.573  -0.533  1.00  5.15           C
ATOM    128  C   ALA C  10      11.007  -6.054  -1.849  1.00  4.09           C
ATOM    129  O   ALA C  10      11.026  -4.846  -2.101  1.00  3.79           O
ATOM    130  CB  ALA C  10      10.523  -6.555   0.558  1.00  5.31           C
ATOM      0  H   ALA C  10      12.540  -5.137   0.647  1.00  5.93           H   new
ATOM      0  HA  ALA C  10      11.908  -7.602  -0.682  1.00  5.15           H   new
ATOM      0  HB1 ALA C  10       9.671  -7.161   0.249  1.00  5.31           H   new
ATOM      0  HB2 ALA C  10      10.942  -6.961   1.479  1.00  5.31           H   new
ATOM      0  HB3 ALA C  10      10.195  -5.530   0.730  1.00  5.31           H   new
ATOM    136  N   PRO C  11      10.503  -6.968  -2.704  1.00  4.05           N
ATOM    137  CA  PRO C  11       9.984  -6.634  -4.042  1.00  3.68           C
ATOM    138  C   PRO C  11       8.991  -5.476  -4.047  1.00  2.90           C
ATOM    139  O   PRO C  11       7.806  -5.650  -3.749  1.00  3.43           O
ATOM    140  CB  PRO C  11       9.289  -7.922  -4.482  1.00  4.66           C
ATOM    141  CG  PRO C  11      10.013  -9.002  -3.762  1.00  5.25           C
ATOM    142  CD  PRO C  11      10.408  -8.417  -2.434  1.00  5.02           C
ATOM      0  HA  PRO C  11      10.788  -6.303  -4.700  1.00  3.68           H   new
ATOM      0  HB2 PRO C  11       8.231  -7.911  -4.220  1.00  4.66           H   new
ATOM      0  HB3 PRO C  11       9.349  -8.056  -5.562  1.00  4.66           H   new
ATOM      0  HG2 PRO C  11       9.378  -9.878  -3.630  1.00  5.25           H   new
ATOM      0  HG3 PRO C  11      10.890  -9.326  -4.323  1.00  5.25           H   new
ATOM      0  HD2 PRO C  11       9.667  -8.633  -1.665  1.00  5.02           H   new
ATOM      0  HD3 PRO C  11      11.358  -8.822  -2.084  1.00  5.02           H   new
ATOM    150  N   GLY C  12       9.494  -4.291  -4.373  1.00  2.28           N
ATOM    151  CA  GLY C  12       8.644  -3.128  -4.530  1.00  2.25           C
ATOM    152  C   GLY C  12       8.105  -2.607  -3.216  1.00  1.93           C
ATOM    153  O   GLY C  12       7.077  -1.929  -3.190  1.00  2.19           O
ATOM      0  H   GLY C  12      10.486  -4.115  -4.533  1.00  2.28           H   new
ATOM      0  HA2 GLY C  12       9.208  -2.337  -5.024  1.00  2.25           H   new
ATOM      0  HA3 GLY C  12       7.809  -3.381  -5.184  1.00  2.25           H   new
ATOM    157  N   ALA C  13       8.787  -2.913  -2.119  1.00  1.67           N
ATOM    158  CA  ALA C  13       8.338  -2.457  -0.812  1.00  1.63           C
ATOM    159  C   ALA C  13       8.770  -1.015  -0.568  1.00  1.27           C
ATOM    160  O   ALA C  13       9.638  -0.739   0.259  1.00  1.33           O
ATOM    161  CB  ALA C  13       8.870  -3.369   0.280  1.00  2.07           C
ATOM      0  H   ALA C  13       9.643  -3.468  -2.108  1.00  1.67           H   new
ATOM      0  HA  ALA C  13       7.249  -2.494  -0.790  1.00  1.63           H   new
ATOM      0  HB1 ALA C  13       8.525  -3.014   1.251  1.00  2.07           H   new
ATOM      0  HB2 ALA C  13       8.508  -4.384   0.115  1.00  2.07           H   new
ATOM      0  HB3 ALA C  13       9.960  -3.365   0.259  1.00  2.07           H   new
ATOM    167  N   ARG C  14       8.118  -0.109  -1.281  1.00  1.06           N
ATOM    168  CA  ARG C  14       8.356   1.327  -1.192  1.00  0.77           C
ATOM    169  C   ARG C  14       7.168   2.037  -1.820  1.00  0.65           C
ATOM    170  O   ARG C  14       6.471   1.450  -2.647  1.00  0.73           O
ATOM    171  CB  ARG C  14       9.644   1.735  -1.932  1.00  0.75           C
ATOM    172  CG  ARG C  14      10.934   1.415  -1.189  1.00  1.01           C
ATOM    173  CD  ARG C  14      12.159   1.901  -1.948  1.00  1.12           C
ATOM    174  NE  ARG C  14      13.399   1.619  -1.223  1.00  1.74           N
ATOM    175  CZ  ARG C  14      14.606   2.041  -1.604  1.00  2.20           C
ATOM    176  NH1 ARG C  14      14.744   2.777  -2.701  1.00  2.19           N
ATOM    177  NH2 ARG C  14      15.674   1.724  -0.880  1.00  3.18           N
ATOM      0  H   ARG C  14       7.392  -0.356  -1.953  1.00  1.06           H   new
ATOM      0  HA  ARG C  14       8.475   1.604  -0.145  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14       9.665   1.234  -2.900  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       9.610   2.807  -2.128  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14      10.910   1.879  -0.203  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      11.006   0.339  -1.033  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      12.194   1.421  -2.926  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      12.076   2.974  -2.122  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      13.336   1.063  -0.370  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.925   3.022  -3.257  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      15.669   3.097  -2.987  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      15.569   1.160  -0.037  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      16.599   2.045  -1.168  1.00  3.18           H   new
ATOM    191  N   CYS C  15       6.925   3.279  -1.427  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.848   4.060  -2.016  1.00  0.46           C
ATOM    193  C   CYS C  15       6.135   4.295  -3.493  1.00  0.42           C
ATOM    194  O   CYS C  15       7.025   5.071  -3.833  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.694   5.398  -1.286  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.491   6.528  -2.032  1.00  0.48           S
ATOM      0  H   CYS C  15       7.457   3.766  -0.706  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       4.914   3.507  -1.916  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.399   5.203  -0.255  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.665   5.892  -1.252  1.00  0.46           H   new
ATOM    201  N   GLY C  16       5.374   3.632  -4.357  1.00  0.56           N
ATOM    202  CA  GLY C  16       5.611   3.708  -5.792  1.00  0.65           C
ATOM    203  C   GLY C  16       5.406   5.098  -6.355  1.00  0.54           C
ATOM    204  O   GLY C  16       5.809   5.388  -7.481  1.00  0.61           O
ATOM      0  H   GLY C  16       4.590   3.038  -4.089  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       6.630   3.383  -6.004  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       4.943   3.014  -6.302  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.776   5.960  -5.572  1.00  0.52           N
ATOM    209  CA  VAL C  17       4.551   7.336  -5.979  1.00  0.65           C
ATOM    210  C   VAL C  17       5.795   8.184  -5.717  1.00  0.66           C
ATOM    211  O   VAL C  17       6.089   9.127  -6.454  1.00  0.86           O
ATOM    212  CB  VAL C  17       3.348   7.944  -5.226  1.00  0.78           C
ATOM    213  CG1 VAL C  17       3.039   9.343  -5.733  1.00  1.04           C
ATOM    214  CG2 VAL C  17       2.126   7.048  -5.353  1.00  0.94           C
ATOM      0  H   VAL C  17       4.411   5.729  -4.648  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       4.335   7.334  -7.047  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       3.614   8.017  -4.171  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       2.188   9.748  -5.186  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       3.907   9.985  -5.581  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       2.801   9.300  -6.796  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       1.290   7.495  -4.815  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.863   6.938  -6.405  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.348   6.068  -4.930  1.00  0.94           H   new
ATOM    224  N   CYS C  18       6.537   7.828  -4.677  1.00  0.55           N
ATOM    225  CA  CYS C  18       7.685   8.618  -4.255  1.00  0.70           C
ATOM    226  C   CYS C  18       9.010   7.928  -4.576  1.00  0.68           C
ATOM    227  O   CYS C  18      10.036   8.584  -4.755  1.00  0.84           O
ATOM    228  CB  CYS C  18       7.603   8.902  -2.755  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.169   9.888  -2.275  1.00  0.82           S
ATOM      0  H   CYS C  18       6.364   6.998  -4.110  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       7.656   9.554  -4.812  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       7.577   7.955  -2.217  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       8.509   9.421  -2.443  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.978   6.603  -4.653  1.00  0.60           N
ATOM    235  CA  GLY C  19      10.193   5.835  -4.832  1.00  0.67           C
ATOM    236  C   GLY C  19      10.939   5.684  -3.524  1.00  0.68           C
ATOM    237  O   GLY C  19      12.152   5.486  -3.504  1.00  0.77           O
ATOM      0  H   GLY C  19       8.126   6.045  -4.594  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.949   4.850  -5.231  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.833   6.326  -5.565  1.00  0.67           H   new
ATOM    241  N   ASP C  20      10.199   5.770  -2.428  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.787   5.783  -1.096  1.00  0.70           C
ATOM    243  C   ASP C  20       9.930   4.993  -0.114  1.00  0.52           C
ATOM    244  O   ASP C  20       8.702   5.022  -0.191  1.00  0.44           O
ATOM    245  CB  ASP C  20      10.943   7.228  -0.620  1.00  0.80           C
ATOM    246  CG  ASP C  20      11.331   7.327   0.838  1.00  1.30           C
ATOM    247  OD1 ASP C  20      12.457   6.919   1.190  1.00  1.40           O
ATOM    248  OD2 ASP C  20      10.511   7.820   1.639  1.00  2.10           O
ATOM      0  H   ASP C  20       9.181   5.832  -2.436  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.768   5.309  -1.142  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      11.699   7.726  -1.227  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20      10.006   7.761  -0.779  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.582   4.281   0.797  1.00  0.55           N
ATOM    254  CA  GLY C  21       9.866   3.482   1.774  1.00  0.51           C
ATOM    255  C   GLY C  21      10.017   4.024   3.181  1.00  0.45           C
ATOM    256  O   GLY C  21       9.758   3.323   4.159  1.00  0.51           O
ATOM      0  H   GLY C  21      11.598   4.243   0.877  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       8.809   3.451   1.510  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      10.233   2.456   1.741  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.445   5.271   3.279  1.00  0.44           N
ATOM    261  CA  THR C  22      10.600   5.927   4.562  1.00  0.46           C
ATOM    262  C   THR C  22       9.246   6.424   5.059  1.00  0.39           C
ATOM    263  O   THR C  22       8.518   7.086   4.313  1.00  0.41           O
ATOM    264  CB  THR C  22      11.589   7.105   4.449  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.785   6.666   3.786  1.00  1.06           O
ATOM    266  CG2 THR C  22      11.945   7.663   5.816  1.00  0.90           C
ATOM      0  H   THR C  22      10.692   5.852   2.478  1.00  0.44           H   new
ATOM      0  HA  THR C  22      10.999   5.207   5.277  1.00  0.46           H   new
ATOM      0  HB  THR C  22      11.109   7.896   3.873  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.708   6.839   2.824  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      12.644   8.492   5.700  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      11.041   8.017   6.311  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.406   6.881   6.419  1.00  0.90           H   new
ATOM    274  N   ASP C  23       8.907   6.079   6.302  1.00  0.41           N
ATOM    275  CA  ASP C  23       7.620   6.452   6.894  1.00  0.45           C
ATOM    276  C   ASP C  23       6.473   5.903   6.057  1.00  0.38           C
ATOM    277  O   ASP C  23       5.455   6.567   5.845  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.500   7.975   7.034  1.00  0.59           C
ATOM    279  CG  ASP C  23       8.378   8.530   8.136  1.00  1.39           C
ATOM    280  OD1 ASP C  23       9.581   8.760   7.889  1.00  2.23           O
ATOM    281  OD2 ASP C  23       7.869   8.741   9.257  1.00  1.75           O
ATOM      0  H   ASP C  23       9.510   5.538   6.922  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       7.566   6.016   7.891  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       7.769   8.445   6.088  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       6.461   8.237   7.236  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.651   4.678   5.589  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.695   4.056   4.696  1.00  0.31           C
ATOM    288  C   VAL C  24       4.646   3.289   5.491  1.00  0.32           C
ATOM    289  O   VAL C  24       4.910   2.821   6.599  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.404   3.115   3.690  1.00  0.36           C
ATOM    291  CG1 VAL C  24       6.643   1.731   4.274  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.631   3.038   2.391  1.00  1.16           C
ATOM      0  H   VAL C  24       7.456   4.094   5.817  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.199   4.844   4.130  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.384   3.542   3.478  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.142   1.105   3.534  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.270   1.814   5.162  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       5.688   1.281   4.545  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       6.147   2.372   1.699  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       4.630   2.654   2.586  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.559   4.033   1.951  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.451   3.187   4.936  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.389   2.429   5.564  1.00  0.30           C
ATOM    304  C   LEU C  25       2.241   1.083   4.875  1.00  0.30           C
ATOM    305  O   LEU C  25       2.540   0.948   3.686  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.073   3.207   5.516  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.066   4.511   6.313  1.00  0.37           C
ATOM    308  CD1 LEU C  25      -0.271   5.209   6.154  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.359   4.247   7.783  1.00  0.48           C
ATOM      0  H   LEU C  25       3.194   3.621   4.050  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.645   2.262   6.610  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       0.839   3.433   4.476  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.275   2.566   5.890  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       1.850   5.160   5.924  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25      -0.267   6.137   6.725  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.442   5.432   5.101  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -1.066   4.560   6.521  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.349   5.189   8.331  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.599   3.581   8.192  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.340   3.781   7.881  1.00  0.48           H   new
ATOM    321  N   ARG C  26       1.787   0.096   5.625  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.691  -1.262   5.124  1.00  0.33           C
ATOM    323  C   ARG C  26       0.245  -1.734   5.165  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.486  -1.432   6.110  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.552  -2.192   5.982  1.00  0.42           C
ATOM    326  CG  ARG C  26       2.968  -3.474   5.278  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.122  -3.223   4.317  1.00  0.95           C
ATOM    328  NE  ARG C  26       5.306  -2.720   5.016  1.00  1.64           N
ATOM    329  CZ  ARG C  26       6.528  -2.677   4.490  1.00  2.21           C
ATOM    330  NH1 ARG C  26       6.737  -3.074   3.239  1.00  2.24           N
ATOM    331  NH2 ARG C  26       7.545  -2.235   5.221  1.00  3.18           N
ATOM      0  H   ARG C  26       1.477   0.211   6.590  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.046  -1.282   4.094  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       3.447  -1.655   6.296  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.001  -2.449   6.887  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       3.262  -4.219   6.017  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       2.119  -3.884   4.732  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.371  -4.148   3.797  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       3.814  -2.504   3.558  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       5.186  -2.380   5.970  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       5.958  -3.415   2.675  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       7.676  -3.038   2.843  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       7.388  -1.930   6.182  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       8.483  -2.200   4.822  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.170  -2.457   4.136  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.491  -3.063   4.125  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.499  -4.251   5.085  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.497  -4.953   5.221  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.869  -3.512   2.706  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.648  -3.745   2.467  1.00  0.37           S
ATOM      0  H   CYS C  27       0.387  -2.638   3.301  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.229  -2.329   4.448  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.509  -2.771   1.992  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.356  -4.447   2.481  1.00  0.29           H   new
ATOM    355  N   THR C  28      -2.607  -4.448   5.780  1.00  0.25           N
ATOM    356  CA  THR C  28      -2.730  -5.566   6.700  1.00  0.31           C
ATOM    357  C   THR C  28      -3.448  -6.735   6.036  1.00  0.33           C
ATOM    358  O   THR C  28      -3.322  -7.882   6.460  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.491  -5.159   7.973  1.00  0.39           C
ATOM    360  OG1 THR C  28      -4.778  -4.638   7.617  1.00  0.75           O
ATOM    361  CG2 THR C  28      -2.714  -4.114   8.763  1.00  0.72           C
ATOM      0  H   THR C  28      -3.432  -3.850   5.725  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -1.721  -5.872   6.976  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -3.611  -6.042   8.600  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -4.665  -3.821   7.087  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.274  -3.844   9.658  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -1.745  -4.522   9.051  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.566  -3.228   8.146  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.203  -6.436   4.984  1.00  0.31           N
ATOM    370  CA  HIS C  29      -4.950  -7.464   4.267  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.105  -8.057   3.149  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.368  -9.162   2.676  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.257  -6.899   3.705  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.294  -6.622   4.753  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.428  -7.386   4.909  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.367  -5.650   5.695  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -9.153  -6.901   5.898  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.530  -5.847   6.392  1.00  1.43           N
ATOM      0  H   HIS C  29      -4.314  -5.494   4.610  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.197  -8.256   4.974  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -6.042  -5.976   3.167  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.665  -7.603   2.980  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -6.643  -4.866   5.864  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29     -10.096  -7.298   6.245  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -8.861  -5.272   7.167  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -3.093  -7.313   2.730  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.139  -7.798   1.749  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.802  -7.112   1.995  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.667  -6.349   2.943  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.633  -7.534   0.320  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.328  -5.859  -0.287  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.912  -6.364   3.058  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.025  -8.877   1.855  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.151  -8.243  -0.353  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.704  -7.732   0.278  1.00  0.42           H   new
ATOM    397  N   ALA C  31       0.167  -7.361   1.140  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.483  -6.765   1.291  1.00  0.37           C
ATOM    399  C   ALA C  31       1.652  -5.604   0.323  1.00  0.36           C
ATOM    400  O   ALA C  31       1.661  -5.797  -0.894  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.568  -7.806   1.067  1.00  0.47           C
ATOM      0  H   ALA C  31       0.070  -7.973   0.330  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.576  -6.385   2.308  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.547  -7.342   1.184  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.458  -8.609   1.796  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.478  -8.214   0.060  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.782  -4.406   0.872  1.00  0.32           N
ATOM    408  CA  ALA C  32       1.947  -3.202   0.070  1.00  0.35           C
ATOM    409  C   ALA C  32       2.495  -2.067   0.922  1.00  0.33           C
ATOM    410  O   ALA C  32       2.049  -1.865   2.053  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.623  -2.795  -0.565  1.00  0.37           C
ATOM      0  H   ALA C  32       1.776  -4.241   1.878  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.660  -3.416  -0.726  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.767  -1.893  -1.160  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.265  -3.600  -1.207  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32      -0.111  -2.600   0.217  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.466  -1.352   0.377  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.073  -0.211   1.048  1.00  0.38           C
ATOM    419  C   ALA C  33       3.719   1.075   0.317  1.00  0.37           C
ATOM    420  O   ALA C  33       4.044   1.241  -0.859  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.581  -0.391   1.118  1.00  0.45           C
ATOM      0  H   ALA C  33       3.857  -1.546  -0.545  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.684  -0.147   2.064  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.027   0.467   1.621  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.814  -1.299   1.674  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       5.985  -0.470   0.109  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.037   1.975   1.008  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.624   3.240   0.417  1.00  0.36           C
ATOM    429  C   PHE C  34       2.410   4.292   1.496  1.00  0.32           C
ATOM    430  O   PHE C  34       2.091   3.963   2.633  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.330   3.051  -0.385  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.162   2.572   0.434  1.00  0.47           C
ATOM    433  CD1 PHE C  34      -0.013   1.222   0.694  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.762   3.472   0.943  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -1.085   0.779   1.443  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.837   3.034   1.691  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.998   1.687   1.942  1.00  0.61           C
ATOM      0  H   PHE C  34       2.757   1.853   1.981  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.415   3.580  -0.252  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.066   3.998  -0.855  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.514   2.337  -1.188  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.698   0.508   0.306  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.639   4.528   0.752  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -1.209  -0.276   1.638  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.551   3.745   2.079  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.837   1.343   2.528  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.610   5.555   1.145  1.00  0.32           N
ATOM    448  CA  HIS C  35       2.267   6.646   2.048  1.00  0.32           C
ATOM    449  C   HIS C  35       0.784   6.939   1.913  1.00  0.33           C
ATOM    450  O   HIS C  35       0.273   6.962   0.789  1.00  0.36           O
ATOM    451  CB  HIS C  35       3.056   7.923   1.743  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.547   7.768   1.762  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.335   8.375   0.822  1.00  0.42           N
ATOM    454  CD2 HIS C  35       5.337   7.080   2.617  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.579   8.047   1.109  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.635   7.258   2.198  1.00  0.42           N
ATOM      0  H   HIS C  35       3.004   5.848   0.251  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.520   6.336   3.062  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.757   8.291   0.762  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.776   8.687   2.469  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       5.011   6.500   3.468  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.441   8.369   0.544  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.474   6.869   2.628  1.00  0.42           H   new
ATOM    464  N   TRP C  36       0.095   7.133   3.029  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.353   7.334   3.012  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.763   8.389   1.985  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.564   8.109   1.094  1.00  0.37           O
ATOM    468  CB  TRP C  36      -1.853   7.744   4.400  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.348   7.763   4.510  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.142   8.848   4.744  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.228   6.641   4.380  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.461   8.470   4.775  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.540   7.119   4.550  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.032   5.278   4.136  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -6.650   6.281   4.482  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.134   4.449   4.069  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.429   4.952   4.240  1.00  0.68           C
ATOM      0  H   TRP C  36       0.513   7.156   3.959  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -1.810   6.386   2.728  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.450   7.055   5.142  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.465   8.734   4.640  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.784   9.857   4.884  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.253   9.092   4.939  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.037   4.881   4.002  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -7.650   6.666   4.616  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -4.994   3.395   3.881  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.271   4.278   4.180  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.155   9.569   2.079  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.536  10.717   1.250  1.00  0.44           C
ATOM    490  C   ARG C  37      -1.214  10.499  -0.229  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.717  11.215  -1.095  1.00  0.51           O
ATOM    492  CB  ARG C  37      -0.824  11.976   1.745  1.00  0.61           C
ATOM    493  CG  ARG C  37      -1.149  12.334   3.185  1.00  0.70           C
ATOM    494  CD  ARG C  37      -0.448  13.614   3.613  1.00  1.05           C
ATOM    495  NE  ARG C  37      -0.911  14.081   4.919  1.00  1.72           N
ATOM    496  CZ  ARG C  37      -0.369  15.100   5.583  1.00  2.32           C
ATOM    497  NH1 ARG C  37       0.693  15.732   5.099  1.00  2.37           N
ATOM    498  NH2 ARG C  37      -0.886  15.479   6.741  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.390   9.759   2.726  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.616  10.835   1.340  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.253  11.836   1.649  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -1.095  12.813   1.102  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -2.227  12.453   3.297  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.849  11.517   3.841  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       0.628  13.443   3.649  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37      -0.623  14.390   2.868  1.00  1.05           H   new
ATOM      0  HE  ARG C  37      -1.699  13.596   5.348  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       1.101  15.438   4.211  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       1.101  16.512   5.615  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37      -1.697  14.991   7.122  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37      -0.474  16.259   7.253  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.377   9.515  -0.512  1.00  0.37           N
ATOM    513  CA  CYS C  38       0.028   9.223  -1.878  1.00  0.36           C
ATOM    514  C   CYS C  38      -0.985   8.307  -2.557  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.045   8.224  -3.782  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.422   8.604  -1.879  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.647   9.637  -1.048  1.00  0.54           S
ATOM      0  H   CYS C  38       0.037   8.902   0.190  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.061  10.152  -2.447  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.383   7.631  -1.390  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.737   8.431  -2.908  1.00  0.34           H   new
ATOM    522  N   HIS C  39      -1.762   7.601  -1.750  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.800   6.719  -2.268  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.184   7.301  -2.023  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.035   7.305  -2.910  1.00  0.61           O
ATOM    526  CB  HIS C  39      -2.703   5.338  -1.622  1.00  0.43           C
ATOM    527  CG  HIS C  39      -1.843   4.370  -2.373  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.047   3.010  -2.333  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.770   4.563  -3.176  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.139   2.408  -3.073  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.352   3.326  -3.599  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.694   7.621  -0.732  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.647   6.623  -3.343  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.310   5.448  -0.611  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -3.706   4.921  -1.530  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.326   5.513  -3.435  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -1.053   1.342  -3.224  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.438   3.146  -4.219  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.398   7.794  -0.816  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.690   8.321  -0.416  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.583   9.809  -0.108  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.549  10.277   0.374  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.208   7.576   0.819  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.506   6.122   0.582  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -5.498   5.174   0.664  1.00  0.55           C
ATOM    547  CD2 PHE C  40      -7.789   5.704   0.268  1.00  0.71           C
ATOM    548  CE1 PHE C  40      -5.766   3.836   0.440  1.00  0.66           C
ATOM    549  CE2 PHE C  40      -8.063   4.369   0.043  1.00  0.80           C
ATOM    550  CZ  PHE C  40      -7.063   3.432   0.159  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.684   7.840  -0.089  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.390   8.178  -1.239  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.469   7.659   1.616  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.114   8.068   1.173  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -4.492   5.484   0.906  1.00  0.55           H   new
ATOM      0  HD2 PHE C  40      -8.585   6.431   0.198  1.00  0.71           H   new
ATOM      0  HE1 PHE C  40      -4.969   3.109   0.484  1.00  0.66           H   new
ATOM      0  HE2 PHE C  40      -9.063   4.061  -0.224  1.00  0.80           H   new
ATOM      0  HZ  PHE C  40      -7.287   2.383   0.032  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.647  10.572  -0.402  1.00  0.89           N
ATOM    561  CA  PRO C  41      -6.721  11.994  -0.076  1.00  1.04           C
ATOM    562  C   PRO C  41      -6.499  12.246   1.410  1.00  1.30           C
ATOM    563  O   PRO C  41      -6.928  11.463   2.259  1.00  1.93           O
ATOM    564  CB  PRO C  41      -8.147  12.396  -0.480  1.00  1.81           C
ATOM    565  CG  PRO C  41      -8.882  11.116  -0.680  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.853  10.111  -1.096  1.00  1.43           C
ATOM      0  HA  PRO C  41      -5.951  12.569  -0.591  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -8.618  13.002   0.294  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -8.143  12.992  -1.392  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -9.382  10.806   0.237  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -9.653  11.224  -1.443  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -8.131   9.101  -0.796  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -7.716  10.096  -2.177  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -5.836  13.354   1.707  1.00  1.64           N
ATOM    575  CA  ALA C  42      -5.446  13.697   3.073  1.00  2.34           C
ATOM    576  C   ALA C  42      -6.655  13.907   3.979  1.00  1.92           C
ATOM    577  O   ALA C  42      -6.526  13.917   5.204  1.00  2.41           O
ATOM    578  CB  ALA C  42      -4.565  14.938   3.070  1.00  3.30           C
ATOM      0  H   ALA C  42      -5.552  14.043   1.010  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -4.883  12.855   3.475  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -4.280  15.185   4.093  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -3.669  14.747   2.480  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -5.114  15.773   2.635  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -7.825  14.086   3.378  1.00  1.37           N
ATOM    585  CA  GLY C  43      -9.040  14.237   4.152  1.00  1.46           C
ATOM    586  C   GLY C  43      -9.559  12.908   4.668  1.00  1.21           C
ATOM    587  O   GLY C  43     -10.353  12.865   5.610  1.00  1.41           O
ATOM      0  H   GLY C  43      -7.953  14.129   2.367  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -8.852  14.903   4.994  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43      -9.805  14.710   3.536  1.00  1.46           H   new
ATOM    591  N   THR C  44      -9.105  11.822   4.054  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.501  10.485   4.467  1.00  0.76           C
ATOM    593  C   THR C  44      -8.787  10.103   5.763  1.00  0.65           C
ATOM    594  O   THR C  44      -7.653  10.522   6.003  1.00  0.73           O
ATOM    595  CB  THR C  44      -9.179   9.455   3.361  1.00  0.83           C
ATOM    596  OG1 THR C  44      -9.785   9.866   2.129  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.689   8.067   3.726  1.00  0.99           C
ATOM      0  H   THR C  44      -8.459  11.844   3.265  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.577  10.482   4.639  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -8.095   9.408   3.254  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -9.592   9.204   1.433  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.445   7.368   2.926  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.217   7.738   4.652  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.770   8.101   3.862  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.447   9.309   6.590  1.00  0.67           N
ATOM    606  CA  SER C  45      -8.922   8.964   7.899  1.00  0.69           C
ATOM    607  C   SER C  45      -8.030   7.729   7.815  1.00  0.61           C
ATOM    608  O   SER C  45      -8.462   6.667   7.363  1.00  0.66           O
ATOM    609  CB  SER C  45     -10.081   8.715   8.862  1.00  0.91           C
ATOM    610  OG  SER C  45     -11.031   9.768   8.788  1.00  1.60           O
ATOM      0  H   SER C  45     -10.352   8.890   6.376  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -8.317   9.793   8.267  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -10.562   7.767   8.622  1.00  0.91           H   new
ATOM      0  HB3 SER C  45      -9.702   8.631   9.881  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -11.766   9.589   9.411  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -6.783   7.886   8.240  1.00  0.66           N
ATOM    617  CA  ARG C  46      -5.818   6.797   8.216  1.00  0.70           C
ATOM    618  C   ARG C  46      -6.169   5.752   9.274  1.00  0.82           C
ATOM    619  O   ARG C  46      -6.236   6.068  10.463  1.00  0.97           O
ATOM    620  CB  ARG C  46      -4.407   7.332   8.472  1.00  0.86           C
ATOM    621  CG  ARG C  46      -3.331   6.264   8.388  1.00  1.10           C
ATOM    622  CD  ARG C  46      -1.998   6.758   8.929  1.00  1.09           C
ATOM    623  NE  ARG C  46      -1.469   7.897   8.180  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -0.201   8.305   8.255  1.00  1.76           C
ATOM    625  NH1 ARG C  46       0.653   7.688   9.064  1.00  1.65           N
ATOM    626  NH2 ARG C  46       0.206   9.339   7.527  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.415   8.764   8.608  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -5.851   6.332   7.231  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.187   8.116   7.748  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.375   7.792   9.460  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -3.647   5.385   8.950  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -3.209   5.953   7.351  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -2.118   7.041   9.975  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -1.275   5.943   8.900  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -2.104   8.408   7.567  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46       0.340   6.900   9.630  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       1.622   8.003   9.119  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -0.451   9.820   6.912  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46       1.175   9.652   7.583  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -6.411   4.499   8.858  1.00  0.82           N
ATOM    641  CA  PRO C  47      -6.706   3.404   9.783  1.00  1.01           C
ATOM    642  C   PRO C  47      -5.522   3.091  10.691  1.00  1.13           C
ATOM    643  O   PRO C  47      -4.385   2.971  10.232  1.00  1.14           O
ATOM    644  CB  PRO C  47      -6.992   2.207   8.865  1.00  1.02           C
ATOM    645  CG  PRO C  47      -7.235   2.790   7.515  1.00  0.83           C
ATOM    646  CD  PRO C  47      -6.432   4.055   7.458  1.00  0.70           C
ATOM      0  HA  PRO C  47      -7.534   3.652  10.447  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -6.150   1.515   8.848  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -7.859   1.645   9.212  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -6.928   2.098   6.731  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.295   2.994   7.364  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -5.427   3.877   7.076  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -6.894   4.797   6.807  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -5.795   2.971  11.982  1.00  1.31           N
ATOM    655  CA  GLY C  48      -4.763   2.603  12.928  1.00  1.49           C
ATOM    656  C   GLY C  48      -4.603   1.101  13.004  1.00  1.61           C
ATOM    657  O   GLY C  48      -3.487   0.583  13.025  1.00  1.90           O
ATOM      0  H   GLY C  48      -6.717   3.123  12.392  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -3.817   3.058  12.634  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -5.013   2.995  13.914  1.00  1.49           H   new
ATOM    661  N   THR C  49      -5.726   0.404  13.039  1.00  1.53           N
ATOM    662  CA  THR C  49      -5.725  -1.045  13.011  1.00  1.70           C
ATOM    663  C   THR C  49      -6.389  -1.544  11.730  1.00  1.25           C
ATOM    664  O   THR C  49      -7.435  -1.027  11.319  1.00  1.89           O
ATOM    665  CB  THR C  49      -6.434  -1.638  14.249  1.00  2.25           C
ATOM    666  OG1 THR C  49      -6.451  -3.071  14.178  1.00  2.72           O
ATOM    667  CG2 THR C  49      -7.853  -1.114  14.369  1.00  2.75           C
ATOM      0  H   THR C  49      -6.655   0.823  13.087  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -4.688  -1.380  13.032  1.00  1.70           H   new
ATOM      0  HB  THR C  49      -5.875  -1.329  15.133  1.00  2.25           H   new
ATOM      0  HG1 THR C  49      -6.902  -3.432  14.970  1.00  2.72           H   new
ATOM      0 HG21 THR C  49      -8.328  -1.548  15.249  1.00  2.75           H   new
ATOM      0 HG22 THR C  49      -7.833  -0.028  14.466  1.00  2.75           H   new
ATOM      0 HG23 THR C  49      -8.419  -1.389  13.479  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -5.768  -2.526  11.089  1.00  0.82           N
ATOM    676  CA  GLY C  50      -6.303  -3.059   9.854  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.270  -2.043   8.730  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.315  -1.622   8.233  1.00  0.60           O
ATOM      0  H   GLY C  50      -4.902  -2.963  11.404  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -5.731  -3.940   9.562  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -7.330  -3.386  10.016  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -5.070  -1.641   8.340  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.901  -0.673   7.272  1.00  0.41           C
ATOM    684  C   LEU C  51      -5.102  -1.338   5.916  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.540  -2.400   5.638  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.531  -0.027   7.352  1.00  0.50           C
ATOM    687  CG  LEU C  51      -3.428   1.277   6.576  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.598   2.272   7.345  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -2.852   1.031   5.198  1.00  0.86           C
ATOM      0  H   LEU C  51      -4.197  -1.973   8.750  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.654   0.106   7.389  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -3.288   0.162   8.398  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.786  -0.726   6.972  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -4.427   1.693   6.448  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.530   3.202   6.781  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -3.065   2.466   8.311  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -1.598   1.868   7.500  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -2.786   1.975   4.657  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -1.857   0.596   5.292  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.498   0.344   4.651  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.912  -0.717   5.075  1.00  0.32           N
ATOM    702  CA  ARG C  52      -6.239  -1.287   3.782  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.698  -0.417   2.656  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.837   0.803   2.679  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.757  -1.427   3.631  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.418  -2.237   4.735  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.919  -2.346   4.523  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.562  -1.032   4.443  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.763  -0.824   3.910  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -12.459  -1.838   3.417  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -12.268   0.401   3.872  1.00  2.65           N
ATOM      0  H   ARG C  52      -6.354   0.182   5.266  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.776  -2.272   3.722  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -8.202  -0.432   3.608  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.974  -1.896   2.671  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.981  -3.235   4.767  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -8.219  -1.770   5.700  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52     -10.116  -2.902   3.606  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52     -10.360  -2.915   5.341  1.00  0.79           H   new
ATOM      0  HE  ARG C  52     -10.059  -0.228   4.819  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -12.074  -2.782   3.445  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -13.379  -1.674   3.009  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -11.736   1.184   4.251  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -13.189   0.561   3.463  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -5.062  -1.053   1.684  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.629  -0.359   0.481  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.834  -0.139  -0.434  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.929  -0.596  -0.112  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.548  -1.166  -0.239  1.00  0.47           C
ATOM    730  SG  CYS C  53      -4.173  -2.644  -1.071  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.835  -2.047   1.705  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -4.204   0.607   0.753  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -3.059  -0.526  -0.974  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.787  -1.461   0.483  1.00  0.47           H   new
ATOM    735  N   ARG C  54      -5.638   0.514  -1.578  1.00  0.58           N
ATOM    736  CA  ARG C  54      -6.761   0.882  -2.447  1.00  0.68           C
ATOM    737  C   ARG C  54      -7.587  -0.338  -2.861  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.818  -0.280  -2.889  1.00  0.68           O
ATOM    739  CB  ARG C  54      -6.275   1.634  -3.692  1.00  0.87           C
ATOM    740  CG  ARG C  54      -5.319   0.845  -4.570  1.00  1.28           C
ATOM    741  CD  ARG C  54      -5.053   1.564  -5.879  1.00  1.82           C
ATOM    742  NE  ARG C  54      -4.063   0.876  -6.701  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -3.415   1.445  -7.712  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -3.688   2.697  -8.060  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -2.502   0.759  -8.387  1.00  4.09           N
ATOM      0  H   ARG C  54      -4.722   0.798  -1.925  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -7.404   1.543  -1.866  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -7.141   1.923  -4.288  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -5.783   2.554  -3.377  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -4.379   0.690  -4.040  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -5.737  -0.141  -4.773  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -5.985   1.654  -6.437  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -4.708   2.577  -5.670  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -3.856  -0.100  -6.487  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -4.397   3.225  -7.551  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -3.189   3.131  -8.836  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -2.297  -0.207  -8.130  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -2.005   1.197  -9.163  1.00  4.09           H   new
ATOM    759  N   SER C  55      -6.910  -1.439  -3.161  1.00  0.62           N
ATOM    760  CA  SER C  55      -7.579  -2.653  -3.602  1.00  0.65           C
ATOM    761  C   SER C  55      -8.383  -3.278  -2.462  1.00  0.60           C
ATOM    762  O   SER C  55      -9.564  -3.587  -2.616  1.00  0.68           O
ATOM    763  CB  SER C  55      -6.544  -3.641  -4.135  1.00  0.72           C
ATOM    764  OG  SER C  55      -5.675  -3.007  -5.062  1.00  1.54           O
ATOM      0  H   SER C  55      -5.894  -1.515  -3.106  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -8.277  -2.401  -4.400  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -5.965  -4.050  -3.307  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -7.048  -4.479  -4.616  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -5.018  -3.656  -5.391  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.746  -3.430  -1.305  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.394  -4.043  -0.148  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.455  -3.116   0.453  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.320  -3.555   1.206  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.354  -4.406   0.914  1.00  0.50           C
ATOM    775  SG  CYS C  56      -6.081  -5.561   0.349  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.782  -3.138  -1.143  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.891  -4.952  -0.488  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.871  -3.492   1.259  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.866  -4.840   1.773  1.00  0.50           H   new
ATOM    780  N   SER C  57      -9.381  -1.834   0.117  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.339  -0.858   0.618  1.00  0.74           C
ATOM    782  C   SER C  57     -11.524  -0.733  -0.340  1.00  0.89           C
ATOM    783  O   SER C  57     -12.377   0.142  -0.183  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.656   0.503   0.805  1.00  0.78           C
ATOM    785  OG  SER C  57     -10.500   1.421   1.483  1.00  1.25           O
ATOM      0  H   SER C  57      -8.667  -1.447  -0.500  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.712  -1.198   1.584  1.00  0.74           H   new
ATOM      0  HB2 SER C  57      -8.732   0.373   1.368  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -9.382   0.910  -0.168  1.00  0.78           H   new
ATOM      0  HG  SER C  57     -11.411   1.350   1.130  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.567  -1.612  -1.330  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.658  -1.606  -2.281  1.00  1.06           C
ATOM    793  C   GLY C  58     -13.708  -2.642  -1.942  1.00  1.50           C
ATOM    794  O   GLY C  58     -14.006  -2.873  -0.767  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.863  -2.332  -1.492  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -13.117  -0.617  -2.301  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -12.269  -1.797  -3.281  1.00  1.06           H   new
ATOM    798  N   ASP C  59     -14.260  -3.273  -2.963  1.00  2.14           N
ATOM    799  CA  ASP C  59     -15.277  -4.297  -2.773  1.00  3.08           C
ATOM    800  C   ASP C  59     -14.828  -5.601  -3.412  1.00  3.78           C
ATOM    801  O   ASP C  59     -14.170  -5.595  -4.454  1.00  4.32           O
ATOM    802  CB  ASP C  59     -16.620  -3.849  -3.366  1.00  3.95           C
ATOM    803  CG  ASP C  59     -16.588  -3.696  -4.878  1.00  4.66           C
ATOM    804  OD1 ASP C  59     -16.179  -2.618  -5.366  1.00  5.12           O
ATOM    805  OD2 ASP C  59     -16.980  -4.646  -5.588  1.00  5.15           O
ATOM      0  H   ASP C  59     -14.021  -3.094  -3.938  1.00  2.14           H   new
ATOM      0  HA  ASP C  59     -15.413  -4.454  -1.703  1.00  3.08           H   new
ATOM      0  HB2 ASP C  59     -17.388  -4.574  -3.097  1.00  3.95           H   new
ATOM      0  HB3 ASP C  59     -16.908  -2.898  -2.917  1.00  3.95           H   new
ATOM    810  N   VAL C  60     -15.160  -6.714  -2.779  1.00  4.28           N
ATOM    811  CA  VAL C  60     -14.791  -8.016  -3.296  1.00  5.35           C
ATOM    812  C   VAL C  60     -15.940  -8.621  -4.092  1.00  6.12           C
ATOM    813  O   VAL C  60     -17.084  -8.654  -3.633  1.00  6.50           O
ATOM    814  CB  VAL C  60     -14.364  -8.978  -2.166  1.00  5.93           C
ATOM    815  CG1 VAL C  60     -13.085  -8.493  -1.506  1.00  6.76           C
ATOM    816  CG2 VAL C  60     -15.466  -9.142  -1.131  1.00  6.03           C
ATOM      0  H   VAL C  60     -15.685  -6.739  -1.905  1.00  4.28           H   new
ATOM      0  HA  VAL C  60     -13.936  -7.874  -3.957  1.00  5.35           H   new
ATOM      0  HB  VAL C  60     -14.178  -9.954  -2.614  1.00  5.93           H   new
ATOM      0 HG11 VAL C  60     -12.800  -9.184  -0.712  1.00  6.76           H   new
ATOM      0 HG12 VAL C  60     -12.288  -8.445  -2.248  1.00  6.76           H   new
ATOM      0 HG13 VAL C  60     -13.247  -7.502  -1.083  1.00  6.76           H   new
ATOM      0 HG21 VAL C  60     -15.133  -9.825  -0.350  1.00  6.03           H   new
ATOM      0 HG22 VAL C  60     -15.698  -8.173  -0.690  1.00  6.03           H   new
ATOM      0 HG23 VAL C  60     -16.358  -9.546  -1.610  1.00  6.03           H   new
ATOM    826  N   THR C  61     -15.639  -9.083  -5.290  1.00  6.63           N
ATOM    827  CA  THR C  61     -16.658  -9.636  -6.156  1.00  7.54           C
ATOM    828  C   THR C  61     -16.621 -11.165  -6.122  1.00  8.48           C
ATOM    829  O   THR C  61     -15.547 -11.775  -6.130  1.00  8.83           O
ATOM    830  CB  THR C  61     -16.492  -9.121  -7.608  1.00  7.91           C
ATOM    831  OG1 THR C  61     -17.650  -9.445  -8.387  1.00  7.75           O
ATOM    832  CG2 THR C  61     -15.252  -9.704  -8.273  1.00  8.22           C
ATOM      0  H   THR C  61     -14.698  -9.086  -5.684  1.00  6.63           H   new
ATOM      0  HA  THR C  61     -17.629  -9.305  -5.788  1.00  7.54           H   new
ATOM      0  HB  THR C  61     -16.376  -8.038  -7.558  1.00  7.91           H   new
ATOM      0  HG1 THR C  61     -17.533  -9.113  -9.301  1.00  7.75           H   new
ATOM      0 HG21 THR C  61     -15.170  -9.320  -9.290  1.00  8.22           H   new
ATOM      0 HG22 THR C  61     -14.367  -9.419  -7.705  1.00  8.22           H   new
ATOM      0 HG23 THR C  61     -15.331 -10.791  -8.301  1.00  8.22           H   new
ATOM    840  N   PRO C  62     -17.795 -11.804  -6.026  1.00  9.10           N
ATOM    841  CA  PRO C  62     -17.905 -13.259  -6.080  1.00 10.15           C
ATOM    842  C   PRO C  62     -17.708 -13.780  -7.499  1.00 10.94           C
ATOM    843  O   PRO C  62     -18.271 -13.236  -8.451  1.00 11.04           O
ATOM    844  CB  PRO C  62     -19.329 -13.525  -5.596  1.00 10.68           C
ATOM    845  CG  PRO C  62     -20.089 -12.292  -5.940  1.00 10.16           C
ATOM    846  CD  PRO C  62     -19.108 -11.154  -5.845  1.00  9.07           C
ATOM      0  HA  PRO C  62     -17.146 -13.760  -5.479  1.00 10.15           H   new
ATOM      0  HB2 PRO C  62     -19.755 -14.401  -6.085  1.00 10.68           H   new
ATOM      0  HB3 PRO C  62     -19.352 -13.717  -4.523  1.00 10.68           H   new
ATOM      0  HG2 PRO C  62     -20.509 -12.361  -6.943  1.00 10.16           H   new
ATOM      0  HG3 PRO C  62     -20.923 -12.145  -5.254  1.00 10.16           H   new
ATOM      0  HD2 PRO C  62     -19.292 -10.403  -6.613  1.00  9.07           H   new
ATOM      0  HD3 PRO C  62     -19.174 -10.648  -4.882  1.00  9.07           H   new
ATOM    854  N   ALA C  63     -16.903 -14.824  -7.636  1.00 11.65           N
ATOM    855  CA  ALA C  63     -16.614 -15.397  -8.942  1.00 12.54           C
ATOM    856  C   ALA C  63     -17.864 -16.037  -9.541  1.00 13.45           C
ATOM    857  O   ALA C  63     -18.486 -16.896  -8.914  1.00 13.86           O
ATOM    858  CB  ALA C  63     -15.491 -16.419  -8.833  1.00 13.10           C
ATOM      0  H   ALA C  63     -16.438 -15.292  -6.858  1.00 11.65           H   new
ATOM      0  HA  ALA C  63     -16.292 -14.595  -9.606  1.00 12.54           H   new
ATOM      0  HB1 ALA C  63     -15.285 -16.840  -9.817  1.00 13.10           H   new
ATOM      0  HB2 ALA C  63     -14.593 -15.934  -8.451  1.00 13.10           H   new
ATOM      0  HB3 ALA C  63     -15.790 -17.217  -8.153  1.00 13.10           H   new
ATOM    864  N   PRO C  64     -18.258 -15.609 -10.750  1.00 13.89           N
ATOM    865  CA  PRO C  64     -19.436 -16.145 -11.437  1.00 14.85           C
ATOM    866  C   PRO C  64     -19.190 -17.556 -11.972  1.00 15.87           C
ATOM    867  O   PRO C  64     -18.912 -17.753 -13.158  1.00 16.55           O
ATOM    868  CB  PRO C  64     -19.660 -15.158 -12.582  1.00 15.07           C
ATOM    869  CG  PRO C  64     -18.319 -14.566 -12.851  1.00 14.50           C
ATOM    870  CD  PRO C  64     -17.586 -14.559 -11.538  1.00 13.64           C
ATOM      0  HA  PRO C  64     -20.296 -16.238 -10.774  1.00 14.85           H   new
ATOM      0  HB2 PRO C  64     -20.053 -15.661 -13.465  1.00 15.07           H   new
ATOM      0  HB3 PRO C  64     -20.382 -14.390 -12.305  1.00 15.07           H   new
ATOM      0  HG2 PRO C  64     -17.778 -15.152 -13.594  1.00 14.50           H   new
ATOM      0  HG3 PRO C  64     -18.413 -13.555 -13.248  1.00 14.50           H   new
ATOM      0  HD2 PRO C  64     -16.526 -14.776 -11.671  1.00 13.64           H   new
ATOM      0  HD3 PRO C  64     -17.653 -13.588 -11.048  1.00 13.64           H   new
ATOM    878  N   VAL C  65     -19.295 -18.535 -11.086  1.00 16.09           N
ATOM    879  CA  VAL C  65     -18.996 -19.918 -11.426  1.00 17.13           C
ATOM    880  C   VAL C  65     -20.266 -20.742 -11.625  1.00 17.88           C
ATOM    881  O   VAL C  65     -20.199 -21.926 -11.955  1.00 18.07           O
ATOM    882  CB  VAL C  65     -18.125 -20.587 -10.340  1.00 17.14           C
ATOM    883  CG1 VAL C  65     -16.765 -19.912 -10.254  1.00 17.22           C
ATOM    884  CG2 VAL C  65     -18.824 -20.558  -8.987  1.00 16.99           C
ATOM      0  H   VAL C  65     -19.587 -18.395 -10.119  1.00 16.09           H   new
ATOM      0  HA  VAL C  65     -18.444 -19.892 -12.366  1.00 17.13           H   new
ATOM      0  HB  VAL C  65     -17.975 -21.629 -10.621  1.00 17.14           H   new
ATOM      0 HG11 VAL C  65     -16.166 -20.397  -9.483  1.00 17.22           H   new
ATOM      0 HG12 VAL C  65     -16.256 -19.994 -11.215  1.00 17.22           H   new
ATOM      0 HG13 VAL C  65     -16.896 -18.860 -10.002  1.00 17.22           H   new
ATOM      0 HG21 VAL C  65     -18.190 -21.035  -8.240  1.00 16.99           H   new
ATOM      0 HG22 VAL C  65     -19.012 -19.524  -8.697  1.00 16.99           H   new
ATOM      0 HG23 VAL C  65     -19.771 -21.094  -9.055  1.00 16.99           H   new
ATOM    894  N   GLU C  66     -21.415 -20.120 -11.419  1.00 18.42           N
ATOM    895  CA  GLU C  66     -22.691 -20.806 -11.577  1.00 19.24           C
ATOM    896  C   GLU C  66     -23.483 -20.197 -12.726  1.00 19.89           C
ATOM    897  O   GLU C  66     -24.076 -19.114 -12.533  1.00 20.26           O
ATOM    898  CB  GLU C  66     -23.499 -20.742 -10.278  1.00 19.51           C
ATOM    899  CG  GLU C  66     -24.797 -21.534 -10.324  1.00 19.47           C
ATOM    900  CD  GLU C  66     -25.556 -21.484  -9.016  1.00 19.59           C
ATOM    901  OE1 GLU C  66     -25.232 -22.269  -8.098  1.00 19.53           O
ATOM    902  OE2 GLU C  66     -26.483 -20.659  -8.894  1.00 19.84           O
ATOM    903  OXT GLU C  66     -23.508 -20.798 -13.818  1.00 20.13           O
ATOM      0  H   GLU C  66     -21.493 -19.141 -11.142  1.00 18.42           H   new
ATOM      0  HA  GLU C  66     -22.493 -21.853 -11.809  1.00 19.24           H   new
ATOM      0  HB2 GLU C  66     -22.884 -21.117  -9.460  1.00 19.51           H   new
ATOM      0  HB3 GLU C  66     -23.728 -19.700 -10.054  1.00 19.51           H   new
ATOM      0  HG2 GLU C  66     -25.429 -21.143 -11.122  1.00 19.47           H   new
ATOM      0  HG3 GLU C  66     -24.576 -22.572 -10.572  1.00 19.47           H   new
TER     910      GLU C  66
HETATM  911 ZN    ZN C 101       4.698   8.602  -1.060  1.00  0.44          ZN
HETATM  912 ZN    ZN C 102      -4.056  -4.472   0.327  1.00  0.49          ZN