USER  MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=9
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  180:sc= 0.00106
USER  MOD Set 1.2: C  29 HIS     :     no HD1:sc=       0  X(o=0.0011,f=0.087)
USER  MOD Single : C   1 GLY N   :NH3+   -113:sc=  0.0543   (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=   -0.16  K(o=-0.16,f=-2.1!)
USER  MOD Single : C   8 ASN     :      amide:sc= -0.0202  K(o=-0.02,f=-1.2)
USER  MOD Single : C  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  39 HIS     :     no HD1:sc=  -0.314  X(o=-0.31,f=-0.092)
USER  MOD Single : C  44 THR OG1 :   rot -150:sc=  -0.936
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  49 THR OG1 :   rot  180:sc= 0.00817
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot  -42:sc=    0.73
USER  MOD Single : C  61 THR OG1 :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY C   1      22.951  13.456  -3.771  1.00 20.38           N
ATOM      2  CA  GLY C   1      21.695  12.876  -3.236  1.00 19.89           C
ATOM      3  C   GLY C   1      21.469  11.466  -3.734  1.00 19.10           C
ATOM      4  O   GLY C   1      21.972  11.091  -4.793  1.00 18.87           O
ATOM      0  H1  GLY C   1      23.629  13.593  -2.994  1.00 20.38           H   new
ATOM      0  H2  GLY C   1      23.359  12.810  -4.476  1.00 20.38           H   new
ATOM      0  H3  GLY C   1      22.747  14.373  -4.218  1.00 20.38           H   new
ATOM      0  HA2 GLY C   1      21.731  12.875  -2.147  1.00 19.89           H   new
ATOM      0  HA3 GLY C   1      20.852  13.503  -3.527  1.00 19.89           H   new
ATOM     10  N   ALA C   2      20.721  10.677  -2.977  1.00 18.81           N
ATOM     11  CA  ALA C   2      20.459   9.298  -3.348  1.00 18.18           C
ATOM     12  C   ALA C   2      18.982   8.973  -3.222  1.00 17.47           C
ATOM     13  O   ALA C   2      18.495   8.636  -2.143  1.00 17.29           O
ATOM     14  CB  ALA C   2      21.280   8.352  -2.489  1.00 18.51           C
ATOM      0  H   ALA C   2      20.286  10.970  -2.102  1.00 18.81           H   new
ATOM      0  HA  ALA C   2      20.750   9.168  -4.390  1.00 18.18           H   new
ATOM      0  HB1 ALA C   2      21.072   7.323  -2.780  1.00 18.51           H   new
ATOM      0  HB2 ALA C   2      22.341   8.561  -2.629  1.00 18.51           H   new
ATOM      0  HB3 ALA C   2      21.018   8.493  -1.440  1.00 18.51           H   new
ATOM     20  N   MET C   3      18.271   9.085  -4.329  1.00 17.21           N
ATOM     21  CA  MET C   3      16.857   8.760  -4.352  1.00 16.67           C
ATOM     22  C   MET C   3      16.685   7.259  -4.506  1.00 16.02           C
ATOM     23  O   MET C   3      16.200   6.584  -3.599  1.00 15.80           O
ATOM     24  CB  MET C   3      16.150   9.495  -5.495  1.00 16.93           C
ATOM     25  CG  MET C   3      16.271  11.007  -5.414  1.00 17.23           C
ATOM     26  SD  MET C   3      15.459  11.842  -6.791  1.00 17.56           S
ATOM     27  CE  MET C   3      15.879  13.549  -6.441  1.00 18.06           C
ATOM      0  H   MET C   3      18.649   9.398  -5.223  1.00 17.21           H   new
ATOM      0  HA  MET C   3      16.406   9.081  -3.413  1.00 16.67           H   new
ATOM      0  HB2 MET C   3      16.564   9.156  -6.445  1.00 16.93           H   new
ATOM      0  HB3 MET C   3      15.095   9.223  -5.493  1.00 16.93           H   new
ATOM      0  HG2 MET C   3      15.836  11.353  -4.476  1.00 17.23           H   new
ATOM      0  HG3 MET C   3      17.325  11.283  -5.397  1.00 17.23           H   new
ATOM      0  HE1 MET C   3      15.448  14.194  -7.206  1.00 18.06           H   new
ATOM      0  HE2 MET C   3      15.482  13.829  -5.465  1.00 18.06           H   new
ATOM      0  HE3 MET C   3      16.963  13.664  -6.438  1.00 18.06           H   new
ATOM     37  N   GLU C   4      17.116   6.741  -5.650  1.00 15.89           N
ATOM     38  CA  GLU C   4      17.042   5.316  -5.925  1.00 15.45           C
ATOM     39  C   GLU C   4      17.925   4.957  -7.114  1.00 14.85           C
ATOM     40  O   GLU C   4      18.900   4.215  -6.977  1.00 14.73           O
ATOM     41  CB  GLU C   4      15.593   4.899  -6.181  1.00 15.88           C
ATOM     42  CG  GLU C   4      15.425   3.434  -6.539  1.00 16.30           C
ATOM     43  CD  GLU C   4      13.990   2.974  -6.417  1.00 16.61           C
ATOM     44  OE1 GLU C   4      13.086   3.693  -6.894  1.00 16.78           O
ATOM     45  OE2 GLU C   4      13.761   1.890  -5.846  1.00 16.83           O
ATOM      0  H   GLU C   4      17.523   7.293  -6.405  1.00 15.89           H   new
ATOM      0  HA  GLU C   4      17.407   4.773  -5.053  1.00 15.45           H   new
ATOM      0  HB2 GLU C   4      15.001   5.115  -5.291  1.00 15.88           H   new
ATOM      0  HB3 GLU C   4      15.188   5.508  -6.989  1.00 15.88           H   new
ATOM      0  HG2 GLU C   4      15.771   3.270  -7.559  1.00 16.30           H   new
ATOM      0  HG3 GLU C   4      16.055   2.829  -5.887  1.00 16.30           H   new
ATOM     52  N   GLY C   5      17.596   5.504  -8.271  1.00 14.66           N
ATOM     53  CA  GLY C   5      18.372   5.238  -9.462  1.00 14.26           C
ATOM     54  C   GLY C   5      17.523   5.287 -10.714  1.00 13.87           C
ATOM     55  O   GLY C   5      16.519   5.998 -10.760  1.00 13.77           O
ATOM      0  H   GLY C   5      16.802   6.130  -8.408  1.00 14.66           H   new
ATOM      0  HA2 GLY C   5      19.177   5.969  -9.541  1.00 14.26           H   new
ATOM      0  HA3 GLY C   5      18.839   4.257  -9.379  1.00 14.26           H   new
ATOM     59  N   GLN C   6      17.920   4.526 -11.724  1.00 13.82           N
ATOM     60  CA  GLN C   6      17.190   4.478 -12.986  1.00 13.64           C
ATOM     61  C   GLN C   6      16.098   3.415 -12.934  1.00 12.68           C
ATOM     62  O   GLN C   6      15.246   3.335 -13.822  1.00 12.45           O
ATOM     63  CB  GLN C   6      18.152   4.195 -14.140  1.00 14.30           C
ATOM     64  CG  GLN C   6      19.139   5.322 -14.390  1.00 14.92           C
ATOM     65  CD  GLN C   6      20.197   4.956 -15.411  1.00 15.49           C
ATOM     66  OE1 GLN C   6      21.264   4.454 -15.061  1.00 15.79           O
ATOM     67  NE2 GLN C   6      19.907   5.197 -16.677  1.00 15.80           N
ATOM      0  H   GLN C   6      18.747   3.930 -11.695  1.00 13.82           H   new
ATOM      0  HA  GLN C   6      16.718   5.447 -13.151  1.00 13.64           H   new
ATOM      0  HB2 GLN C   6      18.703   3.279 -13.928  1.00 14.30           H   new
ATOM      0  HB3 GLN C   6      17.576   4.017 -15.048  1.00 14.30           H   new
ATOM      0  HG2 GLN C   6      18.598   6.204 -14.733  1.00 14.92           H   new
ATOM      0  HG3 GLN C   6      19.623   5.591 -13.451  1.00 14.92           H   new
ATOM      0 HE21 GLN C   6      19.010   5.615 -16.924  1.00 15.80           H   new
ATOM      0 HE22 GLN C   6      20.580   4.965 -17.407  1.00 15.80           H   new
ATOM     76  N   GLN C   7      16.140   2.593 -11.897  1.00 12.28           N
ATOM     77  CA  GLN C   7      15.133   1.566 -11.688  1.00 11.51           C
ATOM     78  C   GLN C   7      13.816   2.200 -11.252  1.00 10.75           C
ATOM     79  O   GLN C   7      13.630   2.517 -10.080  1.00 10.49           O
ATOM     80  CB  GLN C   7      15.613   0.564 -10.634  1.00 11.80           C
ATOM     81  CG  GLN C   7      14.645  -0.583 -10.394  1.00 12.20           C
ATOM     82  CD  GLN C   7      14.471  -1.465 -11.611  1.00 12.74           C
ATOM     83  OE1 GLN C   7      13.606  -1.220 -12.456  1.00 12.97           O
ATOM     84  NE2 GLN C   7      15.286  -2.500 -11.705  1.00 13.13           N
ATOM      0  H   GLN C   7      16.867   2.619 -11.182  1.00 12.28           H   new
ATOM      0  HA  GLN C   7      14.971   1.037 -12.627  1.00 11.51           H   new
ATOM      0  HB2 GLN C   7      16.575   0.157 -10.945  1.00 11.80           H   new
ATOM      0  HB3 GLN C   7      15.778   1.091  -9.694  1.00 11.80           H   new
ATOM      0  HG2 GLN C   7      15.004  -1.187  -9.561  1.00 12.20           H   new
ATOM      0  HG3 GLN C   7      13.676  -0.180 -10.101  1.00 12.20           H   new
ATOM      0 HE21 GLN C   7      15.987  -2.664 -10.983  1.00 13.13           H   new
ATOM      0 HE22 GLN C   7      15.214  -3.135 -12.500  1.00 13.13           H   new
ATOM     93  N   ASN C   8      12.910   2.389 -12.202  1.00 10.61           N
ATOM     94  CA  ASN C   8      11.621   3.018 -11.918  1.00 10.12           C
ATOM     95  C   ASN C   8      10.620   2.005 -11.375  1.00  9.04           C
ATOM     96  O   ASN C   8       9.487   2.352 -11.042  1.00  8.88           O
ATOM     97  CB  ASN C   8      11.056   3.700 -13.168  1.00 10.85           C
ATOM     98  CG  ASN C   8      11.834   4.944 -13.557  1.00 11.31           C
ATOM     99  OD1 ASN C   8      12.414   5.619 -12.706  1.00 11.47           O
ATOM    100  ND2 ASN C   8      11.833   5.271 -14.840  1.00 11.74           N
ATOM      0  H   ASN C   8      13.041   2.117 -13.176  1.00 10.61           H   new
ATOM      0  HA  ASN C   8      11.789   3.777 -11.154  1.00 10.12           H   new
ATOM      0  HB2 ASN C   8      11.067   2.994 -13.999  1.00 10.85           H   new
ATOM      0  HB3 ASN C   8      10.014   3.968 -12.992  1.00 10.85           H   new
ATOM      0 HD21 ASN C   8      12.325   6.108 -15.153  1.00 11.74           H   new
ATOM      0 HD22 ASN C   8      11.341   4.686 -15.515  1.00 11.74           H   new
ATOM    107  N   LEU C   9      11.045   0.755 -11.291  1.00  8.49           N
ATOM    108  CA  LEU C   9      10.212  -0.300 -10.736  1.00  7.55           C
ATOM    109  C   LEU C   9      10.319  -0.294  -9.216  1.00  6.52           C
ATOM    110  O   LEU C   9      11.422  -0.225  -8.667  1.00  6.53           O
ATOM    111  CB  LEU C   9      10.642  -1.661 -11.290  1.00  7.88           C
ATOM    112  CG  LEU C   9       9.823  -2.858 -10.800  1.00  8.24           C
ATOM    113  CD1 LEU C   9       8.384  -2.759 -11.279  1.00  8.67           C
ATOM    114  CD2 LEU C   9      10.454  -4.159 -11.269  1.00  8.72           C
ATOM      0  H   LEU C   9      11.966   0.445 -11.601  1.00  8.49           H   new
ATOM      0  HA  LEU C   9       9.175  -0.121 -11.021  1.00  7.55           H   new
ATOM      0  HB2 LEU C   9      10.586  -1.625 -12.378  1.00  7.88           H   new
ATOM      0  HB3 LEU C   9      11.687  -1.827 -11.029  1.00  7.88           H   new
ATOM      0  HG  LEU C   9       9.819  -2.848  -9.710  1.00  8.24           H   new
ATOM      0 HD11 LEU C   9       7.821  -3.620 -10.919  1.00  8.67           H   new
ATOM      0 HD12 LEU C   9       7.934  -1.844 -10.893  1.00  8.67           H   new
ATOM      0 HD13 LEU C   9       8.364  -2.742 -12.369  1.00  8.67           H   new
ATOM      0 HD21 LEU C   9       9.860  -5.001 -10.913  1.00  8.72           H   new
ATOM      0 HD22 LEU C   9      10.488  -4.175 -12.358  1.00  8.72           H   new
ATOM      0 HD23 LEU C   9      11.467  -4.236 -10.873  1.00  8.72           H   new
ATOM    126  N   ALA C  10       9.179  -0.338  -8.543  1.00  5.93           N
ATOM    127  CA  ALA C  10       9.153  -0.334  -7.087  1.00  5.15           C
ATOM    128  C   ALA C  10       9.703  -1.647  -6.539  1.00  4.09           C
ATOM    129  O   ALA C  10       9.210  -2.720  -6.880  1.00  3.79           O
ATOM    130  CB  ALA C  10       7.738  -0.094  -6.580  1.00  5.31           C
ATOM      0  H   ALA C  10       8.259  -0.377  -8.982  1.00  5.93           H   new
ATOM      0  HA  ALA C  10       9.788   0.479  -6.733  1.00  5.15           H   new
ATOM      0  HB1 ALA C  10       7.737  -0.094  -5.490  1.00  5.31           H   new
ATOM      0  HB2 ALA C  10       7.380   0.869  -6.943  1.00  5.31           H   new
ATOM      0  HB3 ALA C  10       7.082  -0.885  -6.943  1.00  5.31           H   new
ATOM    136  N   PRO C  11      10.743  -1.572  -5.695  1.00  4.05           N
ATOM    137  CA  PRO C  11      11.400  -2.750  -5.110  1.00  3.68           C
ATOM    138  C   PRO C  11      10.567  -3.433  -4.020  1.00  2.90           C
ATOM    139  O   PRO C  11      11.073  -3.719  -2.931  1.00  3.43           O
ATOM    140  CB  PRO C  11      12.688  -2.176  -4.524  1.00  4.66           C
ATOM    141  CG  PRO C  11      12.357  -0.763  -4.197  1.00  5.25           C
ATOM    142  CD  PRO C  11      11.362  -0.314  -5.234  1.00  5.02           C
ATOM      0  HA  PRO C  11      11.557  -3.531  -5.854  1.00  3.68           H   new
ATOM      0  HB2 PRO C  11      12.998  -2.726  -3.635  1.00  4.66           H   new
ATOM      0  HB3 PRO C  11      13.509  -2.235  -5.238  1.00  4.66           H   new
ATOM      0  HG2 PRO C  11      11.937  -0.684  -3.194  1.00  5.25           H   new
ATOM      0  HG3 PRO C  11      13.250  -0.139  -4.219  1.00  5.25           H   new
ATOM      0  HD2 PRO C  11      10.622   0.365  -4.811  1.00  5.02           H   new
ATOM      0  HD3 PRO C  11      11.849   0.216  -6.053  1.00  5.02           H   new
ATOM    150  N   GLY C  12       9.298  -3.687  -4.314  1.00  2.28           N
ATOM    151  CA  GLY C  12       8.426  -4.353  -3.366  1.00  2.25           C
ATOM    152  C   GLY C  12       8.043  -3.464  -2.199  1.00  1.93           C
ATOM    153  O   GLY C  12       6.987  -2.822  -2.213  1.00  2.19           O
ATOM      0  H   GLY C  12       8.855  -3.441  -5.199  1.00  2.28           H   new
ATOM      0  HA2 GLY C  12       7.522  -4.682  -3.879  1.00  2.25           H   new
ATOM      0  HA3 GLY C  12       8.922  -5.247  -2.989  1.00  2.25           H   new
ATOM    157  N   ALA C  13       8.903  -3.422  -1.190  1.00  1.67           N
ATOM    158  CA  ALA C  13       8.644  -2.641   0.007  1.00  1.63           C
ATOM    159  C   ALA C  13       9.096  -1.196  -0.173  1.00  1.27           C
ATOM    160  O   ALA C  13      10.116  -0.775   0.377  1.00  1.33           O
ATOM    161  CB  ALA C  13       9.336  -3.268   1.209  1.00  2.07           C
ATOM      0  H   ALA C  13       9.791  -3.924  -1.180  1.00  1.67           H   new
ATOM      0  HA  ALA C  13       7.568  -2.639   0.183  1.00  1.63           H   new
ATOM      0  HB1 ALA C  13       9.132  -2.671   2.098  1.00  2.07           H   new
ATOM      0  HB2 ALA C  13       8.961  -4.280   1.358  1.00  2.07           H   new
ATOM      0  HB3 ALA C  13      10.411  -3.302   1.033  1.00  2.07           H   new
ATOM    167  N   ARG C  14       8.323  -0.440  -0.942  1.00  1.06           N
ATOM    168  CA  ARG C  14       8.618   0.963  -1.187  1.00  0.77           C
ATOM    169  C   ARG C  14       7.428   1.641  -1.854  1.00  0.65           C
ATOM    170  O   ARG C  14       6.823   1.085  -2.772  1.00  0.73           O
ATOM    171  CB  ARG C  14       9.864   1.093  -2.064  1.00  0.75           C
ATOM    172  CG  ARG C  14      10.322   2.524  -2.280  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.668   2.567  -2.980  1.00  1.12           C
ATOM    174  NE  ARG C  14      12.165   3.929  -3.127  1.00  1.74           N
ATOM    175  CZ  ARG C  14      13.443   4.274  -2.991  1.00  2.20           C
ATOM    176  NH1 ARG C  14      14.361   3.355  -2.720  1.00  2.19           N
ATOM    177  NH2 ARG C  14      13.796   5.542  -3.134  1.00  3.18           N
ATOM      0  H   ARG C  14       7.482  -0.779  -1.409  1.00  1.06           H   new
ATOM      0  HA  ARG C  14       8.809   1.455  -0.233  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14      10.677   0.527  -1.608  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       9.662   0.637  -3.033  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14       9.582   3.060  -2.874  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      10.391   3.036  -1.320  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      12.389   1.977  -2.415  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      11.580   2.105  -3.963  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      11.492   4.663  -3.348  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      14.089   2.378  -2.615  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      15.339   3.626  -2.617  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      13.090   6.247  -3.347  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      14.774   5.814  -3.031  1.00  3.18           H   new
ATOM    191  N   CYS C  15       7.088   2.830  -1.376  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.984   3.593  -1.934  1.00  0.46           C
ATOM    193  C   CYS C  15       6.409   4.232  -3.253  1.00  0.42           C
ATOM    194  O   CYS C  15       7.128   5.234  -3.273  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.550   4.659  -0.923  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.230   5.774  -1.466  1.00  0.48           S
ATOM      0  H   CYS C  15       7.565   3.288  -0.599  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       5.140   2.933  -2.135  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.223   4.157  -0.013  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.421   5.259  -0.661  1.00  0.46           H   new
ATOM    201  N   GLY C  16       5.941   3.657  -4.351  1.00  0.56           N
ATOM    202  CA  GLY C  16       6.332   4.128  -5.666  1.00  0.65           C
ATOM    203  C   GLY C  16       5.516   5.318  -6.114  1.00  0.54           C
ATOM    204  O   GLY C  16       5.803   5.921  -7.146  1.00  0.61           O
ATOM      0  H   GLY C  16       5.294   2.868  -4.355  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       7.388   4.398  -5.654  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       6.218   3.319  -6.388  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.503   5.663  -5.332  1.00  0.52           N
ATOM    209  CA  VAL C  17       3.637   6.786  -5.660  1.00  0.65           C
ATOM    210  C   VAL C  17       4.384   8.110  -5.494  1.00  0.66           C
ATOM    211  O   VAL C  17       4.127   9.075  -6.213  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.367   6.793  -4.786  1.00  0.78           C
ATOM    213  CG1 VAL C  17       1.396   7.865  -5.255  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.701   5.427  -4.797  1.00  0.94           C
ATOM      0  H   VAL C  17       4.261   5.181  -4.466  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.337   6.672  -6.702  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       2.661   7.023  -3.762  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       0.507   7.852  -4.624  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       1.874   8.843  -5.189  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       1.110   7.670  -6.289  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.807   5.453  -4.174  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.424   5.165  -5.818  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.393   4.681  -4.406  1.00  0.94           H   new
ATOM    224  N   CYS C  18       5.317   8.151  -4.551  1.00  0.55           N
ATOM    225  CA  CYS C  18       6.144   9.334  -4.363  1.00  0.70           C
ATOM    226  C   CYS C  18       7.592   9.029  -4.735  1.00  0.68           C
ATOM    227  O   CYS C  18       8.276   9.850  -5.347  1.00  0.84           O
ATOM    228  CB  CYS C  18       6.055   9.846  -2.920  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.567   8.647  -1.670  1.00  0.82           S
ATOM      0  H   CYS C  18       5.518   7.384  -3.909  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       5.770  10.119  -5.020  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       6.674  10.738  -2.825  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       5.027  10.148  -2.717  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.048   7.837  -4.375  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.402   7.442  -4.688  1.00  0.67           C
ATOM    236  C   GLY C  19      10.193   7.095  -3.449  1.00  0.68           C
ATOM    237  O   GLY C  19      11.300   6.573  -3.538  1.00  0.77           O
ATOM      0  H   GLY C  19       7.502   7.138  -3.872  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.383   6.582  -5.358  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19       9.901   8.251  -5.222  1.00  0.67           H   new
ATOM    241  N   ASP C  20       9.627   7.384  -2.289  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.289   7.093  -1.024  1.00  0.70           C
ATOM    243  C   ASP C  20       9.622   5.925  -0.315  1.00  0.52           C
ATOM    244  O   ASP C  20       8.397   5.802  -0.310  1.00  0.44           O
ATOM    245  CB  ASP C  20      10.279   8.318  -0.106  1.00  0.80           C
ATOM    246  CG  ASP C  20      11.304   9.365  -0.497  1.00  1.30           C
ATOM    247  OD1 ASP C  20      11.051  10.118  -1.464  1.00  2.10           O
ATOM    248  OD2 ASP C  20      12.376   9.426   0.138  1.00  1.40           O
ATOM      0  H   ASP C  20       8.710   7.820  -2.195  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.321   6.827  -1.251  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20       9.286   8.767  -0.121  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20      10.469   7.998   0.919  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.437   5.063   0.274  1.00  0.55           N
ATOM    254  CA  GLY C  21       9.920   3.970   1.073  1.00  0.51           C
ATOM    255  C   GLY C  21      10.157   4.215   2.545  1.00  0.45           C
ATOM    256  O   GLY C  21       9.849   3.376   3.387  1.00  0.51           O
ATOM      0  H   GLY C  21      11.454   5.101   0.212  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       8.852   3.853   0.888  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      10.400   3.038   0.774  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.722   5.372   2.844  1.00  0.44           N
ATOM    261  CA  THR C  22      11.004   5.767   4.210  1.00  0.46           C
ATOM    262  C   THR C  22       9.707   6.085   4.951  1.00  0.39           C
ATOM    263  O   THR C  22       8.846   6.803   4.427  1.00  0.41           O
ATOM    264  CB  THR C  22      11.934   6.992   4.229  1.00  0.60           C
ATOM    265  OG1 THR C  22      13.063   6.747   3.377  1.00  1.06           O
ATOM    266  CG2 THR C  22      12.417   7.291   5.640  1.00  0.90           C
ATOM      0  H   THR C  22      10.997   6.063   2.146  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.501   4.938   4.714  1.00  0.46           H   new
ATOM      0  HB  THR C  22      11.375   7.855   3.869  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      13.656   7.527   3.387  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      13.073   8.162   5.623  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      11.560   7.494   6.282  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.965   6.432   6.027  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.573   5.533   6.158  1.00  0.41           N
ATOM    275  CA  ASP C  23       8.360   5.682   6.962  1.00  0.45           C
ATOM    276  C   ASP C  23       7.155   5.199   6.173  1.00  0.38           C
ATOM    277  O   ASP C  23       6.140   5.892   6.061  1.00  0.42           O
ATOM    278  CB  ASP C  23       8.164   7.136   7.407  1.00  0.59           C
ATOM    279  CG  ASP C  23       9.160   7.562   8.461  1.00  1.39           C
ATOM    280  OD1 ASP C  23       8.950   7.248   9.649  1.00  1.75           O
ATOM    281  OD2 ASP C  23      10.162   8.216   8.107  1.00  2.23           O
ATOM      0  H   ASP C  23      10.299   4.972   6.604  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       8.466   5.073   7.860  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       8.254   7.792   6.541  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       7.154   7.260   7.797  1.00  0.59           H   new
ATOM    286  N   VAL C  24       7.284   4.006   5.616  1.00  0.33           N
ATOM    287  CA  VAL C  24       6.265   3.447   4.749  1.00  0.31           C
ATOM    288  C   VAL C  24       5.243   2.655   5.562  1.00  0.32           C
ATOM    289  O   VAL C  24       5.559   2.127   6.632  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.905   2.546   3.665  1.00  0.36           C
ATOM    291  CG1 VAL C  24       7.302   1.188   4.222  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.992   2.409   2.467  1.00  1.16           C
ATOM      0  H   VAL C  24       8.095   3.402   5.752  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.750   4.270   4.254  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.822   3.033   3.332  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.747   0.586   3.430  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       8.025   1.322   5.026  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       6.418   0.681   4.610  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       6.465   1.771   1.720  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       5.047   1.964   2.779  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.805   3.393   2.038  1.00  1.16           H   new
ATOM    302  N   LEU C  25       4.015   2.595   5.068  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.952   1.863   5.737  1.00  0.30           C
ATOM    304  C   LEU C  25       2.740   0.516   5.066  1.00  0.30           C
ATOM    305  O   LEU C  25       3.139   0.315   3.917  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.648   2.668   5.717  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.708   4.022   6.422  1.00  0.37           C
ATOM    308  CD1 LEU C  25       0.371   4.737   6.317  1.00  0.39           C
ATOM    309  CD2 LEU C  25       2.105   3.844   7.878  1.00  0.48           C
ATOM      0  H   LEU C  25       3.730   3.048   4.200  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       3.246   1.701   6.774  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       1.355   2.829   4.679  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.863   2.070   6.180  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       2.464   4.635   5.931  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25       0.432   5.700   6.825  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25       0.125   4.896   5.267  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.404   4.129   6.784  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       2.143   4.818   8.366  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       1.371   3.214   8.381  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       3.086   3.372   7.933  1.00  0.48           H   new
ATOM    321  N   ARG C  26       2.112  -0.398   5.784  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.873  -1.738   5.280  1.00  0.33           C
ATOM    323  C   ARG C  26       0.396  -2.071   5.399  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.226  -1.782   6.423  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.684  -2.751   6.089  1.00  0.42           C
ATOM    326  CG  ARG C  26       3.285  -3.870   5.255  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.434  -3.362   4.398  1.00  0.95           C
ATOM    328  NE  ARG C  26       5.420  -2.628   5.193  1.00  1.64           N
ATOM    329  CZ  ARG C  26       6.738  -2.785   5.094  1.00  2.21           C
ATOM    330  NH1 ARG C  26       7.255  -3.668   4.248  1.00  2.24           N
ATOM    331  NH2 ARG C  26       7.545  -2.060   5.858  1.00  3.18           N
ATOM      0  H   ARG C  26       1.756  -0.234   6.726  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.177  -1.783   4.234  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       3.487  -2.227   6.607  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.042  -3.187   6.854  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       3.641  -4.665   5.911  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       2.516  -4.304   4.616  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.919  -4.204   3.904  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       4.044  -2.714   3.614  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       5.073  -1.949   5.870  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       6.640  -4.236   3.664  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       8.267  -3.779   4.182  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       7.155  -1.386   6.517  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       8.556  -2.176   5.786  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.175  -2.665   4.359  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.563  -3.087   4.422  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.721  -4.223   5.431  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.839  -5.071   5.569  1.00  0.30           O
ATOM    349  CB  CYS C  27      -2.094  -3.533   3.053  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.846  -3.958   3.133  1.00  0.37           S
ATOM      0  H   CYS C  27       0.295  -2.862   3.476  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.150  -2.225   4.741  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.944  -2.735   2.326  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.525  -4.394   2.703  1.00  0.29           H   new
ATOM    355  N   THR C  28      -2.837  -4.217   6.149  1.00  0.25           N
ATOM    356  CA  THR C  28      -3.130  -5.255   7.124  1.00  0.31           C
ATOM    357  C   THR C  28      -3.848  -6.432   6.472  1.00  0.33           C
ATOM    358  O   THR C  28      -3.807  -7.556   6.973  1.00  0.44           O
ATOM    359  CB  THR C  28      -4.000  -4.702   8.269  1.00  0.39           C
ATOM    360  OG1 THR C  28      -5.173  -4.074   7.732  1.00  0.75           O
ATOM    361  CG2 THR C  28      -3.222  -3.697   9.107  1.00  0.72           C
ATOM      0  H   THR C  28      -3.557  -3.499   6.072  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -2.178  -5.599   7.529  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -4.291  -5.535   8.908  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -5.722  -3.726   8.465  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.858  -3.322   9.908  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -2.346  -4.182   9.537  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.904  -2.866   8.477  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.502  -6.169   5.347  1.00  0.31           N
ATOM    370  CA  HIS C  29      -5.255  -7.200   4.641  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.415  -7.834   3.541  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.583  -9.006   3.215  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.541  -6.624   4.040  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.601  -6.296   5.050  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.763  -7.021   5.175  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -7.684  -5.298   5.961  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -9.516  -6.483   6.116  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.884  -5.438   6.608  1.00  1.43           N
ATOM      0  H   HIS C  29      -4.526  -5.251   4.904  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.518  -7.968   5.368  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -6.295  -5.720   3.482  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.946  -7.340   3.325  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -6.943  -4.534   6.144  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29     -10.486  -6.840   6.429  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -9.231  -4.831   7.350  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -3.504  -7.056   2.976  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.661  -7.536   1.888  1.00  0.33           C
ATOM    389  C   CYS C  30      -1.227  -7.071   2.107  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.925  -6.419   3.105  1.00  0.31           O
ATOM    391  CB  CYS C  30      -3.171  -7.023   0.534  1.00  0.42           C
ATOM    392  SG  CYS C  30      -4.872  -6.414   0.550  1.00  0.79           S
ATOM      0  H   CYS C  30      -3.329  -6.090   3.252  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.696  -8.625   1.879  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.515  -6.221   0.194  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.095  -7.828  -0.197  1.00  0.42           H   new
ATOM    397  N   ALA C  31      -0.356  -7.391   1.171  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.044  -7.020   1.266  1.00  0.37           C
ATOM    399  C   ALA C  31       1.345  -5.855   0.336  1.00  0.36           C
ATOM    400  O   ALA C  31       1.258  -5.987  -0.886  1.00  0.42           O
ATOM    401  CB  ALA C  31       1.933  -8.210   0.937  1.00  0.47           C
ATOM      0  H   ALA C  31      -0.595  -7.912   0.328  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.253  -6.709   2.289  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       2.979  -7.914   1.013  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       1.733  -9.019   1.639  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       1.725  -8.550  -0.077  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.701  -4.719   0.921  1.00  0.32           N
ATOM    408  CA  ALA C  32       1.981  -3.515   0.156  1.00  0.35           C
ATOM    409  C   ALA C  32       2.630  -2.462   1.038  1.00  0.33           C
ATOM    410  O   ALA C  32       2.146  -2.178   2.135  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.702  -2.964  -0.464  1.00  0.37           C
ATOM      0  H   ALA C  32       1.803  -4.608   1.930  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.673  -3.774  -0.645  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.932  -2.063  -1.033  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.268  -3.711  -1.128  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32      -0.010  -2.723   0.325  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.737  -1.912   0.565  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.401  -0.805   1.233  1.00  0.38           C
ATOM    419  C   ALA C  33       4.091   0.487   0.499  1.00  0.37           C
ATOM    420  O   ALA C  33       4.525   0.689  -0.637  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.898  -1.045   1.292  1.00  0.45           C
ATOM      0  H   ALA C  33       4.199  -2.220  -0.291  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       4.033  -0.727   2.256  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.381  -0.207   1.795  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       6.098  -1.964   1.844  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.292  -1.137   0.280  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.337   1.351   1.151  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.879   2.583   0.538  1.00  0.36           C
ATOM    429  C   PHE C  34       2.593   3.622   1.610  1.00  0.32           C
ATOM    430  O   PHE C  34       2.653   3.325   2.798  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.610   2.314  -0.279  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.449   1.834   0.551  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.379   0.517   0.976  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.568   2.703   0.910  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.679   0.077   1.741  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.630   2.269   1.674  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.686   0.954   2.091  1.00  0.61           C
ATOM      0  H   PHE C  34       3.026   1.220   2.114  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.658   2.963  -0.124  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.321   3.228  -0.798  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.831   1.570  -1.044  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       1.164  -0.173   0.704  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.528   3.733   0.587  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -0.720  -0.952   2.066  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.417   2.957   1.946  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.517   0.612   2.690  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.296   4.837   1.189  1.00  0.32           N
ATOM    448  CA  HIS C  35       1.866   5.874   2.115  1.00  0.32           C
ATOM    449  C   HIS C  35       0.396   6.173   1.881  1.00  0.33           C
ATOM    450  O   HIS C  35      -0.050   6.285   0.735  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.684   7.158   1.940  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.156   6.991   2.168  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.067   7.621   1.368  1.00  0.42           N
ATOM    454  CD2 HIS C  35       4.814   6.264   3.103  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.258   7.270   1.815  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.160   6.445   2.874  1.00  0.42           N
ATOM      0  H   HIS C  35       2.344   5.132   0.214  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.022   5.512   3.131  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.526   7.540   0.931  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.305   7.912   2.630  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.369   5.659   3.879  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.192   7.602   1.386  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       6.930   6.035   3.402  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.344   6.293   2.974  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.771   6.585   2.929  1.00  0.34           C
ATOM    466  C   TRP C  36      -2.018   7.939   2.267  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.979   8.111   1.522  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.339   6.565   4.354  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.804   6.873   4.443  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.368   8.091   4.687  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.888   5.947   4.305  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.736   7.982   4.706  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -6.080   6.675   4.472  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.966   4.574   4.052  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -7.335   6.075   4.395  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -6.211   3.980   3.977  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -7.380   4.730   4.147  1.00  0.68           C
ATOM      0  H   TRP C  36       0.028   6.191   3.918  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -2.277   5.824   2.334  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -2.160   5.582   4.789  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.791   7.286   4.960  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -3.818   9.007   4.843  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.390   8.748   4.868  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -4.069   3.988   3.918  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -8.239   6.650   4.526  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -6.283   2.920   3.784  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -8.338   4.237   4.081  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.119   8.884   2.521  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.214  10.220   1.939  1.00  0.44           C
ATOM    490  C   ARG C  37      -0.926  10.193   0.440  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.392  11.051  -0.307  1.00  0.51           O
ATOM    492  CB  ARG C  37      -0.242  11.169   2.637  1.00  0.61           C
ATOM    493  CG  ARG C  37      -0.596  11.442   4.090  1.00  0.70           C
ATOM    494  CD  ARG C  37       0.490  12.241   4.788  1.00  1.05           C
ATOM    495  NE  ARG C  37       0.742  13.526   4.137  1.00  1.72           N
ATOM    496  CZ  ARG C  37       1.800  14.293   4.394  1.00  2.32           C
ATOM    497  NH1 ARG C  37       2.706  13.899   5.283  1.00  2.37           N
ATOM    498  NH2 ARG C  37       1.958  15.448   3.760  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.312   8.749   3.129  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.234  10.577   2.084  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.762  10.747   2.589  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -0.217  12.114   2.094  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -1.539  11.987   4.139  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.746  10.497   4.612  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       0.201  12.413   5.825  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37       1.411  11.659   4.806  1.00  1.05           H   new
ATOM      0  HE  ARG C  37       0.068  13.854   3.445  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       2.591  13.009   5.768  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       3.516  14.486   5.480  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37       1.268  15.751   3.073  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       2.770  16.033   3.960  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.148   9.210   0.006  1.00  0.37           N
ATOM    513  CA  CYS C  38       0.177   9.067  -1.406  1.00  0.36           C
ATOM    514  C   CYS C  38      -0.919   8.307  -2.142  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.104   8.473  -3.345  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.518   8.353  -1.576  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.921   9.258  -0.889  1.00  0.54           S
ATOM      0  H   CYS C  38       0.269   8.502   0.610  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.252  10.065  -1.838  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.461   7.375  -1.099  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.694   8.180  -2.638  1.00  0.34           H   new
ATOM    522  N   HIS C  39      -1.646   7.474  -1.411  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.708   6.675  -2.005  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.035   7.412  -1.973  1.00  0.46           C
ATOM    525  O   HIS C  39      -4.805   7.360  -2.930  1.00  0.61           O
ATOM    526  CB  HIS C  39      -2.839   5.334  -1.289  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.121   4.219  -1.978  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.767   3.113  -2.477  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.808   4.035  -2.238  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.882   2.293  -3.007  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.684   2.828  -2.879  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.520   7.334  -0.408  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.441   6.495  -3.046  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.452   5.433  -0.275  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -3.895   5.078  -1.204  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.005   4.712  -1.988  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -2.101   1.342  -3.469  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.190   2.414  -3.203  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.298   8.098  -0.874  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.535   8.843  -0.717  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.232  10.306  -0.397  1.00  0.54           C
ATOM    543  O   PHE C  40      -5.454  10.763   0.726  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.388   8.221   0.395  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.716   6.769   0.172  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -7.856   6.398  -0.524  1.00  0.71           C
ATOM    547  CD2 PHE C  40      -5.883   5.774   0.659  1.00  0.55           C
ATOM    548  CE1 PHE C  40      -8.156   5.065  -0.730  1.00  0.80           C
ATOM    549  CE2 PHE C  40      -6.179   4.440   0.456  1.00  0.66           C
ATOM    550  CZ  PHE C  40      -7.317   4.085  -0.239  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.668   8.154  -0.074  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.093   8.799  -1.652  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.861   8.323   1.344  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.317   8.784   0.485  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -8.517   7.160  -0.910  1.00  0.71           H   new
ATOM      0  HD2 PHE C  40      -4.991   6.045   1.204  1.00  0.55           H   new
ATOM      0  HE1 PHE C  40      -9.047   4.790  -1.275  1.00  0.80           H   new
ATOM      0  HE2 PHE C  40      -5.520   3.676   0.841  1.00  0.66           H   new
ATOM      0  HZ  PHE C  40      -7.551   3.043  -0.398  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -4.730  11.070  -1.386  1.00  0.89           N
ATOM    561  CA  PRO C  41      -4.295  12.456  -1.186  1.00  1.04           C
ATOM    562  C   PRO C  41      -5.460  13.435  -1.062  1.00  1.30           C
ATOM    563  O   PRO C  41      -5.258  14.647  -1.005  1.00  1.93           O
ATOM    564  CB  PRO C  41      -3.472  12.773  -2.449  1.00  1.81           C
ATOM    565  CG  PRO C  41      -3.370  11.486  -3.206  1.00  2.12           C
ATOM    566  CD  PRO C  41      -4.543  10.655  -2.780  1.00  1.43           C
ATOM      0  HA  PRO C  41      -3.736  12.560  -0.256  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -3.958  13.542  -3.049  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -2.484  13.151  -2.187  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -3.389  11.664  -4.281  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -2.432  10.977  -2.984  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -5.426  10.857  -3.386  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -4.337   9.588  -2.862  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -6.677  12.909  -1.016  1.00  1.64           N
ATOM    575  CA  ALA C  42      -7.864  13.743  -0.887  1.00  2.34           C
ATOM    576  C   ALA C  42      -8.121  14.113   0.569  1.00  1.92           C
ATOM    577  O   ALA C  42      -9.121  14.754   0.890  1.00  2.41           O
ATOM    578  CB  ALA C  42      -9.075  13.035  -1.470  1.00  3.30           C
ATOM      0  H   ALA C  42      -6.868  11.908  -1.066  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -7.690  14.663  -1.445  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -9.954  13.671  -1.366  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -8.901  12.826  -2.526  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -9.240  12.098  -0.937  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -7.219  13.704   1.448  1.00  1.37           N
ATOM    585  CA  GLY C  43      -7.375  13.999   2.856  1.00  1.46           C
ATOM    586  C   GLY C  43      -8.246  12.982   3.555  1.00  1.21           C
ATOM    587  O   GLY C  43      -8.978  13.312   4.487  1.00  1.41           O
ATOM      0  H   GLY C  43      -6.381  13.173   1.211  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -6.395  14.024   3.332  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43      -7.812  14.991   2.972  1.00  1.46           H   new
ATOM    591  N   THR C  44      -8.179  11.743   3.091  1.00  0.90           N
ATOM    592  CA  THR C  44      -8.923  10.656   3.699  1.00  0.76           C
ATOM    593  C   THR C  44      -8.363  10.354   5.088  1.00  0.65           C
ATOM    594  O   THR C  44      -7.159  10.494   5.321  1.00  0.73           O
ATOM    595  CB  THR C  44      -8.843   9.397   2.815  1.00  0.83           C
ATOM    596  OG1 THR C  44      -9.090   9.760   1.451  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.855   8.349   3.249  1.00  0.99           C
ATOM      0  H   THR C  44      -7.612  11.467   2.289  1.00  0.90           H   new
ATOM      0  HA  THR C  44      -9.967  10.954   3.793  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -7.846   8.970   2.919  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -9.504   9.006   0.982  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.772   7.474   2.604  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.659   8.059   4.281  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.861   8.761   3.173  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.218   9.921   5.998  1.00  0.67           N
ATOM    606  CA  SER C  45      -8.804   9.702   7.371  1.00  0.69           C
ATOM    607  C   SER C  45      -8.230   8.302   7.538  1.00  0.61           C
ATOM    608  O   SER C  45      -8.892   7.306   7.240  1.00  0.66           O
ATOM    609  CB  SER C  45      -9.994   9.898   8.312  1.00  0.91           C
ATOM    610  OG  SER C  45     -10.630  11.144   8.079  1.00  1.60           O
ATOM      0  H   SER C  45     -10.199   9.715   5.811  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -8.029  10.426   7.621  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -10.710   9.089   8.171  1.00  0.91           H   new
ATOM      0  HB3 SER C  45      -9.655   9.847   9.347  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -11.388  11.244   8.692  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -6.981   8.242   7.987  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.298   6.977   8.208  1.00  0.70           C
ATOM    618  C   ARG C  46      -6.953   6.197   9.346  1.00  0.82           C
ATOM    619  O   ARG C  46      -7.050   6.690  10.471  1.00  0.97           O
ATOM    620  CB  ARG C  46      -4.817   7.224   8.522  1.00  0.86           C
ATOM    621  CG  ARG C  46      -4.074   5.980   8.984  1.00  1.10           C
ATOM    622  CD  ARG C  46      -2.610   6.268   9.277  1.00  1.09           C
ATOM    623  NE  ARG C  46      -1.954   5.123   9.905  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -0.646   5.036  10.132  1.00  1.76           C
ATOM    625  NH1 ARG C  46       0.175   6.005   9.743  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -0.157   3.969  10.746  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.418   9.064   8.206  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.375   6.383   7.297  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.327   7.619   7.632  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.741   7.989   9.294  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -4.552   5.584   9.880  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -4.146   5.209   8.217  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -2.095   6.520   8.350  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -2.533   7.137   9.931  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -2.539   4.337  10.189  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -0.196   6.826   9.265  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       1.176   5.928   9.922  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -0.782   3.220  11.042  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46       0.845   3.897  10.923  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.447   4.986   9.052  1.00  0.82           N
ATOM    641  CA  PRO C  47      -8.026   4.108  10.067  1.00  1.01           C
ATOM    642  C   PRO C  47      -6.957   3.509  10.977  1.00  1.13           C
ATOM    643  O   PRO C  47      -5.854   3.191  10.528  1.00  1.14           O
ATOM    644  CB  PRO C  47      -8.716   3.020   9.246  1.00  1.02           C
ATOM    645  CG  PRO C  47      -7.975   2.981   7.955  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.464   4.375   7.710  1.00  0.70           C
ATOM      0  HA  PRO C  47      -8.704   4.638  10.736  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -8.674   2.056   9.754  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -9.769   3.252   9.089  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -7.151   2.269   8.003  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.628   2.659   7.143  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.470   4.364   7.263  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -8.113   4.925   7.029  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -7.285   3.354  12.250  1.00  1.31           N
ATOM    655  CA  GLY C  48      -6.335   2.810  13.198  1.00  1.49           C
ATOM    656  C   GLY C  48      -6.590   1.347  13.501  1.00  1.61           C
ATOM    657  O   GLY C  48      -5.769   0.682  14.128  1.00  1.90           O
ATOM      0  H   GLY C  48      -8.194   3.596  12.645  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -5.326   2.925  12.803  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -6.382   3.383  14.124  1.00  1.49           H   new
ATOM    661  N   THR C  49      -7.730   0.840  13.049  1.00  1.53           N
ATOM    662  CA  THR C  49      -8.097  -0.549  13.289  1.00  1.70           C
ATOM    663  C   THR C  49      -7.724  -1.443  12.109  1.00  1.25           C
ATOM    664  O   THR C  49      -8.107  -2.613  12.058  1.00  1.89           O
ATOM    665  CB  THR C  49      -9.606  -0.677  13.566  1.00  2.25           C
ATOM    666  OG1 THR C  49     -10.344   0.104  12.616  1.00  2.72           O
ATOM    667  CG2 THR C  49      -9.939  -0.220  14.977  1.00  2.75           C
ATOM      0  H   THR C  49      -8.417   1.371  12.514  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -7.538  -0.878  14.165  1.00  1.70           H   new
ATOM      0  HB  THR C  49      -9.885  -1.726  13.469  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -11.303   0.017  12.796  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -11.011  -0.320  15.148  1.00  2.75           H   new
ATOM      0 HG22 THR C  49      -9.398  -0.835  15.696  1.00  2.75           H   new
ATOM      0 HG23 THR C  49      -9.648   0.823  15.100  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -6.969  -0.894  11.169  1.00  0.82           N
ATOM    676  CA  GLY C  50      -6.586  -1.649   9.998  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.305  -0.760   8.810  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.187  -0.042   8.344  1.00  0.60           O
ATOM      0  H   GLY C  50      -6.615   0.062  11.198  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -5.699  -2.241  10.224  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -7.381  -2.350   9.744  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -5.076  -0.795   8.327  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.683   0.012   7.187  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.918  -0.778   5.899  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.400  -1.885   5.733  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.206   0.414   7.325  1.00  0.50           C
ATOM    687  CG  LEU C  51      -2.791   1.731   6.649  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.917   1.646   5.140  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -3.617   2.892   7.178  1.00  0.86           C
ATOM      0  H   LEU C  51      -4.330  -1.377   8.709  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.284   0.921   7.150  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -2.969   0.485   8.387  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.593  -0.389   6.915  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -1.743   1.905   6.891  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.615   2.595   4.696  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.274   0.849   4.766  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.952   1.433   4.873  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -3.306   3.814   6.686  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -4.672   2.710   6.975  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.466   2.986   8.253  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.707  -0.214   4.995  1.00  0.32           N
ATOM    702  CA  ARG C  52      -6.022  -0.884   3.742  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.368  -0.192   2.557  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.162   1.019   2.557  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.535  -0.970   3.528  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.160  -2.216   4.132  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.643  -2.310   3.821  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.398  -1.165   4.324  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.703  -1.195   4.579  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -12.388  -2.321   4.420  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -12.320  -0.101   5.007  1.00  2.65           N
ATOM      0  H   ARG C  52      -6.139   0.703   5.106  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.620  -1.895   3.811  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -8.007  -0.089   3.963  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.745  -0.949   2.459  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.651  -3.100   3.748  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -8.015  -2.208   5.212  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.780  -2.385   2.742  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52     -10.044  -3.225   4.257  1.00  0.79           H   new
ATOM      0  HE  ARG C  52      -9.896  -0.293   4.489  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.914  -3.166   4.102  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -13.389  -2.341   4.616  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -11.793   0.762   5.140  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -13.321  -0.123   5.203  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -5.043  -0.987   1.550  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.416  -0.482   0.345  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.448  -0.376  -0.777  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.615  -0.705  -0.568  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.225  -1.366  -0.060  1.00  0.47           C
ATOM    730  SG  CYS C  53      -3.630  -3.058  -0.565  1.00  0.49           S
ATOM      0  H   CYS C  53      -5.206  -1.994   1.547  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -4.026   0.517   0.539  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -2.699  -0.879  -0.881  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.531  -1.414   0.779  1.00  0.47           H   new
ATOM    735  N   ARG C  54      -5.022   0.051  -1.961  1.00  0.58           N
ATOM    736  CA  ARG C  54      -5.954   0.351  -3.053  1.00  0.68           C
ATOM    737  C   ARG C  54      -6.826  -0.852  -3.427  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.016  -0.698  -3.700  1.00  0.68           O
ATOM    739  CB  ARG C  54      -5.197   0.860  -4.287  1.00  0.87           C
ATOM    740  CG  ARG C  54      -4.180  -0.122  -4.845  1.00  1.28           C
ATOM    741  CD  ARG C  54      -3.483   0.442  -6.072  1.00  1.82           C
ATOM    742  NE  ARG C  54      -2.479  -0.476  -6.602  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -1.790  -0.264  -7.723  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -1.975   0.851  -8.423  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -0.904  -1.162  -8.134  1.00  4.09           N
ATOM      0  H   ARG C  54      -4.040   0.198  -2.193  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -6.620   1.134  -2.691  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -5.918   1.101  -5.068  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -4.686   1.787  -4.028  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -3.440  -0.357  -4.080  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -4.678  -1.056  -5.104  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -4.223   0.654  -6.844  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -3.009   1.389  -5.816  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -2.293  -1.333  -6.082  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -2.647   1.549  -8.103  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -1.445   1.009  -9.280  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -0.751  -2.013  -7.592  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -0.376  -1.002  -8.992  1.00  4.09           H   new
ATOM    759  N   SER C  55      -6.242  -2.043  -3.424  1.00  0.62           N
ATOM    760  CA  SER C  55      -6.956  -3.245  -3.835  1.00  0.65           C
ATOM    761  C   SER C  55      -8.129  -3.546  -2.900  1.00  0.60           C
ATOM    762  O   SER C  55      -9.279  -3.607  -3.330  1.00  0.68           O
ATOM    763  CB  SER C  55      -5.989  -4.426  -3.866  1.00  0.72           C
ATOM    764  OG  SER C  55      -4.786  -4.072  -4.532  1.00  1.54           O
ATOM      0  H   SER C  55      -5.275  -2.203  -3.141  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -7.363  -3.079  -4.832  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -5.766  -4.747  -2.848  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -6.456  -5.271  -4.372  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -4.178  -4.841  -4.540  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.832  -3.696  -1.617  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.833  -4.096  -0.629  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.823  -2.967  -0.338  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.948  -3.213   0.092  1.00  0.72           O
ATOM    774  CB  CYS C  56      -8.134  -4.515   0.659  1.00  0.50           C
ATOM    775  SG  CYS C  56      -6.911  -3.315   1.205  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.900  -3.546  -1.231  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -9.397  -4.934  -1.038  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -8.878  -4.652   1.444  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.649  -5.479   0.507  1.00  0.50           H   new
ATOM    780  N   SER C  57      -9.399  -1.733  -0.565  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.234  -0.579  -0.265  1.00  0.74           C
ATOM    782  C   SER C  57     -10.863  -0.020  -1.541  1.00  0.89           C
ATOM    783  O   SER C  57     -11.301   1.133  -1.579  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.405   0.500   0.444  1.00  0.78           C
ATOM    785  OG  SER C  57     -10.215   1.579   0.870  1.00  1.25           O
ATOM      0  H   SER C  57      -8.484  -1.505  -0.955  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -11.039  -0.896   0.398  1.00  0.74           H   new
ATOM      0  HB2 SER C  57      -8.897   0.064   1.304  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -8.632   0.868  -0.230  1.00  0.78           H   new
ATOM      0  HG  SER C  57     -10.866   1.795   0.170  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -10.912  -0.836  -2.583  1.00  0.86           N
ATOM    792  CA  GLY C  58     -11.479  -0.389  -3.835  1.00  1.06           C
ATOM    793  C   GLY C  58     -11.909  -1.535  -4.721  1.00  1.50           C
ATOM    794  O   GLY C  58     -11.428  -1.671  -5.844  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.570  -1.797  -2.583  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -12.338   0.251  -3.633  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -10.746   0.220  -4.365  1.00  1.06           H   new
ATOM    798  N   ASP C  59     -12.803  -2.371  -4.219  1.00  2.14           N
ATOM    799  CA  ASP C  59     -13.351  -3.456  -5.021  1.00  3.08           C
ATOM    800  C   ASP C  59     -14.596  -2.988  -5.751  1.00  3.78           C
ATOM    801  O   ASP C  59     -15.720  -3.272  -5.337  1.00  4.32           O
ATOM    802  CB  ASP C  59     -13.675  -4.681  -4.167  1.00  3.95           C
ATOM    803  CG  ASP C  59     -12.433  -5.397  -3.689  1.00  4.66           C
ATOM    804  OD1 ASP C  59     -11.798  -6.104  -4.497  1.00  5.12           O
ATOM    805  OD2 ASP C  59     -12.083  -5.252  -2.498  1.00  5.15           O
ATOM      0  H   ASP C  59     -13.164  -2.321  -3.266  1.00  2.14           H   new
ATOM      0  HA  ASP C  59     -12.592  -3.747  -5.747  1.00  3.08           H   new
ATOM      0  HB2 ASP C  59     -14.267  -4.373  -3.305  1.00  3.95           H   new
ATOM      0  HB3 ASP C  59     -14.289  -5.371  -4.746  1.00  3.95           H   new
ATOM    810  N   VAL C  60     -14.389  -2.255  -6.830  1.00  4.28           N
ATOM    811  CA  VAL C  60     -15.492  -1.748  -7.628  1.00  5.35           C
ATOM    812  C   VAL C  60     -15.827  -2.734  -8.739  1.00  6.12           C
ATOM    813  O   VAL C  60     -14.989  -3.027  -9.591  1.00  6.50           O
ATOM    814  CB  VAL C  60     -15.158  -0.373  -8.247  1.00  5.93           C
ATOM    815  CG1 VAL C  60     -16.358   0.191  -8.997  1.00  6.76           C
ATOM    816  CG2 VAL C  60     -14.690   0.598  -7.174  1.00  6.03           C
ATOM      0  H   VAL C  60     -13.465  -1.997  -7.175  1.00  4.28           H   new
ATOM      0  HA  VAL C  60     -16.351  -1.627  -6.968  1.00  5.35           H   new
ATOM      0  HB  VAL C  60     -14.347  -0.511  -8.962  1.00  5.93           H   new
ATOM      0 HG11 VAL C  60     -16.098   1.160  -9.424  1.00  6.76           H   new
ATOM      0 HG12 VAL C  60     -16.642  -0.493  -9.796  1.00  6.76           H   new
ATOM      0 HG13 VAL C  60     -17.194   0.311  -8.308  1.00  6.76           H   new
ATOM      0 HG21 VAL C  60     -14.460   1.561  -7.630  1.00  6.03           H   new
ATOM      0 HG22 VAL C  60     -15.478   0.727  -6.432  1.00  6.03           H   new
ATOM      0 HG23 VAL C  60     -13.797   0.203  -6.690  1.00  6.03           H   new
ATOM    826  N   THR C  61     -17.038  -3.267  -8.711  1.00  6.63           N
ATOM    827  CA  THR C  61     -17.473  -4.204  -9.731  1.00  7.54           C
ATOM    828  C   THR C  61     -17.793  -3.458 -11.027  1.00  8.48           C
ATOM    829  O   THR C  61     -18.466  -2.426 -11.009  1.00  8.83           O
ATOM    830  CB  THR C  61     -18.702  -5.027  -9.265  1.00  7.91           C
ATOM    831  OG1 THR C  61     -19.075  -5.980 -10.272  1.00  7.75           O
ATOM    832  CG2 THR C  61     -19.892  -4.131  -8.945  1.00  8.22           C
ATOM      0  H   THR C  61     -17.735  -3.067  -7.994  1.00  6.63           H   new
ATOM      0  HA  THR C  61     -16.657  -4.904  -9.912  1.00  7.54           H   new
ATOM      0  HB  THR C  61     -18.416  -5.551  -8.353  1.00  7.91           H   new
ATOM      0  HG1 THR C  61     -19.851  -6.494  -9.965  1.00  7.75           H   new
ATOM      0 HG21 THR C  61     -20.733  -4.745  -8.622  1.00  8.22           H   new
ATOM      0 HG22 THR C  61     -19.622  -3.438  -8.148  1.00  8.22           H   new
ATOM      0 HG23 THR C  61     -20.174  -3.569  -9.835  1.00  8.22           H   new
ATOM    840  N   PRO C  62     -17.275  -3.949 -12.161  1.00  9.10           N
ATOM    841  CA  PRO C  62     -17.510  -3.330 -13.467  1.00 10.15           C
ATOM    842  C   PRO C  62     -18.986  -3.349 -13.845  1.00 10.94           C
ATOM    843  O   PRO C  62     -19.668  -4.361 -13.671  1.00 11.04           O
ATOM    844  CB  PRO C  62     -16.692  -4.192 -14.435  1.00 10.68           C
ATOM    845  CG  PRO C  62     -16.470  -5.481 -13.722  1.00 10.16           C
ATOM    846  CD  PRO C  62     -16.424  -5.145 -12.260  1.00  9.07           C
ATOM      0  HA  PRO C  62     -17.221  -2.279 -13.480  1.00 10.15           H   new
ATOM      0  HB2 PRO C  62     -17.227  -4.348 -15.372  1.00 10.68           H   new
ATOM      0  HB3 PRO C  62     -15.745  -3.713 -14.685  1.00 10.68           H   new
ATOM      0  HG2 PRO C  62     -17.273  -6.187 -13.935  1.00 10.16           H   new
ATOM      0  HG3 PRO C  62     -15.540  -5.949 -14.044  1.00 10.16           H   new
ATOM      0  HD2 PRO C  62     -16.805  -5.962 -11.647  1.00  9.07           H   new
ATOM      0  HD3 PRO C  62     -15.406  -4.944 -11.925  1.00  9.07           H   new
ATOM    854  N   ALA C  63     -19.471  -2.225 -14.355  1.00 11.65           N
ATOM    855  CA  ALA C  63     -20.873  -2.085 -14.714  1.00 12.54           C
ATOM    856  C   ALA C  63     -21.251  -3.059 -15.824  1.00 13.45           C
ATOM    857  O   ALA C  63     -20.567  -3.138 -16.845  1.00 13.86           O
ATOM    858  CB  ALA C  63     -21.163  -0.654 -15.143  1.00 13.10           C
ATOM      0  H   ALA C  63     -18.908  -1.392 -14.530  1.00 11.65           H   new
ATOM      0  HA  ALA C  63     -21.477  -2.321 -13.838  1.00 12.54           H   new
ATOM      0  HB1 ALA C  63     -22.216  -0.560 -15.410  1.00 13.10           H   new
ATOM      0  HB2 ALA C  63     -20.935   0.025 -14.322  1.00 13.10           H   new
ATOM      0  HB3 ALA C  63     -20.546  -0.401 -16.005  1.00 13.10           H   new
ATOM    864  N   PRO C  64     -22.339  -3.823 -15.629  1.00 13.89           N
ATOM    865  CA  PRO C  64     -22.800  -4.812 -16.609  1.00 14.85           C
ATOM    866  C   PRO C  64     -23.201  -4.162 -17.929  1.00 15.87           C
ATOM    867  O   PRO C  64     -24.254  -3.527 -18.034  1.00 16.55           O
ATOM    868  CB  PRO C  64     -24.013  -5.463 -15.933  1.00 15.07           C
ATOM    869  CG  PRO C  64     -24.446  -4.492 -14.889  1.00 14.50           C
ATOM    870  CD  PRO C  64     -23.200  -3.788 -14.435  1.00 13.64           C
ATOM      0  HA  PRO C  64     -22.018  -5.527 -16.866  1.00 14.85           H   new
ATOM      0  HB2 PRO C  64     -24.811  -5.650 -16.652  1.00 15.07           H   new
ATOM      0  HB3 PRO C  64     -23.749  -6.424 -15.492  1.00 15.07           H   new
ATOM      0  HG2 PRO C  64     -25.170  -3.783 -15.292  1.00 14.50           H   new
ATOM      0  HG3 PRO C  64     -24.930  -5.004 -14.057  1.00 14.50           H   new
ATOM      0  HD2 PRO C  64     -23.408  -2.766 -14.118  1.00 13.64           H   new
ATOM      0  HD3 PRO C  64     -22.736  -4.296 -13.589  1.00 13.64           H   new
ATOM    878  N   VAL C  65     -22.347  -4.308 -18.927  1.00 16.09           N
ATOM    879  CA  VAL C  65     -22.583  -3.717 -20.232  1.00 17.13           C
ATOM    880  C   VAL C  65     -22.666  -4.799 -21.307  1.00 17.88           C
ATOM    881  O   VAL C  65     -21.842  -5.711 -21.348  1.00 18.07           O
ATOM    882  CB  VAL C  65     -21.477  -2.690 -20.582  1.00 17.14           C
ATOM    883  CG1 VAL C  65     -20.092  -3.320 -20.505  1.00 17.22           C
ATOM    884  CG2 VAL C  65     -21.715  -2.080 -21.956  1.00 16.99           C
ATOM      0  H   VAL C  65     -21.477  -4.835 -18.857  1.00 16.09           H   new
ATOM      0  HA  VAL C  65     -23.537  -3.192 -20.196  1.00 17.13           H   new
ATOM      0  HB  VAL C  65     -21.523  -1.891 -19.842  1.00 17.14           H   new
ATOM      0 HG11 VAL C  65     -19.338  -2.574 -20.756  1.00 17.22           H   new
ATOM      0 HG12 VAL C  65     -19.915  -3.688 -19.494  1.00 17.22           H   new
ATOM      0 HG13 VAL C  65     -20.030  -4.149 -21.209  1.00 17.22           H   new
ATOM      0 HG21 VAL C  65     -20.925  -1.363 -22.177  1.00 16.99           H   new
ATOM      0 HG22 VAL C  65     -21.712  -2.868 -22.709  1.00 16.99           H   new
ATOM      0 HG23 VAL C  65     -22.679  -1.572 -21.967  1.00 16.99           H   new
ATOM    894  N   GLU C  66     -23.679  -4.708 -22.154  1.00 18.42           N
ATOM    895  CA  GLU C  66     -23.854  -5.654 -23.244  1.00 19.24           C
ATOM    896  C   GLU C  66     -23.367  -5.042 -24.552  1.00 19.89           C
ATOM    897  O   GLU C  66     -24.121  -4.255 -25.163  1.00 20.26           O
ATOM    898  CB  GLU C  66     -25.324  -6.063 -23.365  1.00 19.51           C
ATOM    899  CG  GLU C  66     -25.844  -6.844 -22.167  1.00 19.47           C
ATOM    900  CD  GLU C  66     -25.222  -8.221 -22.050  1.00 19.59           C
ATOM    901  OE1 GLU C  66     -25.783  -9.182 -22.621  1.00 19.84           O
ATOM    902  OE2 GLU C  66     -24.180  -8.357 -21.380  1.00 19.53           O
ATOM    903  OXT GLU C  66     -22.226  -5.335 -24.959  1.00 20.13           O
ATOM      0  H   GLU C  66     -24.396  -3.984 -22.107  1.00 18.42           H   new
ATOM      0  HA  GLU C  66     -23.263  -6.545 -23.031  1.00 19.24           H   new
ATOM      0  HB2 GLU C  66     -25.931  -5.167 -23.495  1.00 19.51           H   new
ATOM      0  HB3 GLU C  66     -25.451  -6.667 -24.264  1.00 19.51           H   new
ATOM      0  HG2 GLU C  66     -25.642  -6.280 -21.256  1.00 19.47           H   new
ATOM      0  HG3 GLU C  66     -26.926  -6.945 -22.246  1.00 19.47           H   new
TER     910      GLU C  66
HETATM  911 ZN    ZN C 101       4.710   7.840  -0.586  1.00  0.44          ZN
HETATM  912 ZN    ZN C 102      -4.798  -4.187   1.062  1.00  0.49          ZN