USER  MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11
USER  MOD reduce.3.24.130724 removed 438 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD NoAdj-H: C  35 HIS HD1 : C  35 HIS ND1 : C 101  ZNZN   :(H bumps)
USER  MOD Set 1.1: C   6 GLN     :      amide:sc=   0.284! C(o=0.78!,f=-3!)
USER  MOD Set 1.2: C   7 GLN     :      amide:sc=   0.498  K(o=0.78,f=-3)
USER  MOD Single : C   1 GLY N   :NH3+   -140:sc=  0.0166   (180deg=0)
USER  MOD Single : C   3 MET CE  :methyl  160:sc=  -0.142   (180deg=-0.66)
USER  MOD Single : C   8 ASN     :      amide:sc=       0  X(o=0,f=-0.45)
USER  MOD Single : C  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  28 THR OG1 :   rot  -81:sc=    1.17
USER  MOD Single : C  29 HIS     :FLIP no HE2:sc=   0.443  F(o=-1.9,f=0.44)
USER  MOD Single : C  39 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD Single : C  44 THR OG1 :   rot  180:sc=  -0.216
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=  0.0148
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot   72:sc=   0.309
USER  MOD Single : C  61 THR OG1 :   rot   31:sc=   0.339
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY C   1      24.499 -11.703  14.607  1.00 20.38           N
ATOM      2  CA  GLY C   1      24.136 -13.129  14.777  1.00 19.89           C
ATOM      3  C   GLY C   1      23.584 -13.724  13.500  1.00 19.10           C
ATOM      4  O   GLY C   1      24.024 -13.368  12.405  1.00 18.87           O
ATOM      0  H1  GLY C   1      25.388 -11.508  15.111  1.00 20.38           H   new
ATOM      0  H2  GLY C   1      24.622 -11.494  13.596  1.00 20.38           H   new
ATOM      0  H3  GLY C   1      23.743 -11.104  14.995  1.00 20.38           H   new
ATOM      0  HA2 GLY C   1      25.014 -13.693  15.091  1.00 19.89           H   new
ATOM      0  HA3 GLY C   1      23.396 -13.224  15.572  1.00 19.89           H   new
ATOM     10  N   ALA C   2      22.616 -14.620  13.636  1.00 18.81           N
ATOM     11  CA  ALA C   2      22.015 -15.280  12.486  1.00 18.18           C
ATOM     12  C   ALA C   2      21.092 -14.332  11.730  1.00 17.47           C
ATOM     13  O   ALA C   2      20.904 -14.469  10.521  1.00 17.29           O
ATOM     14  CB  ALA C   2      21.258 -16.525  12.925  1.00 18.51           C
ATOM      0  H   ALA C   2      22.229 -14.907  14.535  1.00 18.81           H   new
ATOM      0  HA  ALA C   2      22.816 -15.579  11.810  1.00 18.18           H   new
ATOM      0  HB1 ALA C   2      20.814 -17.007  12.054  1.00 18.51           H   new
ATOM      0  HB2 ALA C   2      21.946 -17.216  13.412  1.00 18.51           H   new
ATOM      0  HB3 ALA C   2      20.471 -16.244  13.625  1.00 18.51           H   new
ATOM     20  N   MET C   3      20.525 -13.368  12.441  1.00 17.21           N
ATOM     21  CA  MET C   3      19.655 -12.382  11.819  1.00 16.67           C
ATOM     22  C   MET C   3      20.497 -11.314  11.128  1.00 16.02           C
ATOM     23  O   MET C   3      20.740 -10.237  11.675  1.00 15.80           O
ATOM     24  CB  MET C   3      18.728 -11.742  12.857  1.00 16.93           C
ATOM     25  CG  MET C   3      17.696 -10.795  12.257  1.00 17.23           C
ATOM     26  SD  MET C   3      16.563 -11.621  11.121  1.00 17.56           S
ATOM     27  CE  MET C   3      15.791 -12.809  12.218  1.00 18.06           C
ATOM      0  H   MET C   3      20.652 -13.248  13.446  1.00 17.21           H   new
ATOM      0  HA  MET C   3      19.034 -12.883  11.076  1.00 16.67           H   new
ATOM      0  HB2 MET C   3      18.210 -12.530  13.403  1.00 16.93           H   new
ATOM      0  HB3 MET C   3      19.331 -11.195  13.582  1.00 16.93           H   new
ATOM      0  HG2 MET C   3      17.124 -10.333  13.061  1.00 17.23           H   new
ATOM      0  HG3 MET C   3      18.210  -9.992  11.729  1.00 17.23           H   new
ATOM      0  HE1 MET C   3      14.847 -13.143  11.787  1.00 18.06           H   new
ATOM      0  HE2 MET C   3      16.452 -13.665  12.350  1.00 18.06           H   new
ATOM      0  HE3 MET C   3      15.603 -12.343  13.185  1.00 18.06           H   new
ATOM     37  N   GLU C   4      20.964 -11.633   9.934  1.00 15.89           N
ATOM     38  CA  GLU C   4      21.792 -10.721   9.167  1.00 15.45           C
ATOM     39  C   GLU C   4      21.370 -10.746   7.705  1.00 14.85           C
ATOM     40  O   GLU C   4      21.063 -11.808   7.158  1.00 14.73           O
ATOM     41  CB  GLU C   4      23.265 -11.112   9.305  1.00 15.88           C
ATOM     42  CG  GLU C   4      24.222 -10.165   8.603  1.00 16.30           C
ATOM     43  CD  GLU C   4      25.669 -10.575   8.771  1.00 16.61           C
ATOM     44  OE1 GLU C   4      26.268 -10.248   9.817  1.00 16.83           O
ATOM     45  OE2 GLU C   4      26.221 -11.224   7.854  1.00 16.78           O
ATOM      0  H   GLU C   4      20.782 -12.524   9.472  1.00 15.89           H   new
ATOM      0  HA  GLU C   4      21.663  -9.709   9.551  1.00 15.45           H   new
ATOM      0  HB2 GLU C   4      23.522 -11.154  10.363  1.00 15.88           H   new
ATOM      0  HB3 GLU C   4      23.403 -12.116   8.904  1.00 15.88           H   new
ATOM      0  HG2 GLU C   4      23.979 -10.129   7.541  1.00 16.30           H   new
ATOM      0  HG3 GLU C   4      24.085  -9.158   8.996  1.00 16.30           H   new
ATOM     52  N   GLY C   5      21.345  -9.580   7.080  1.00 14.66           N
ATOM     53  CA  GLY C   5      20.946  -9.496   5.693  1.00 14.26           C
ATOM     54  C   GLY C   5      20.349  -8.150   5.350  1.00 13.87           C
ATOM     55  O   GLY C   5      19.220  -7.847   5.734  1.00 13.77           O
ATOM      0  H   GLY C   5      21.594  -8.689   7.510  1.00 14.66           H   new
ATOM      0  HA2 GLY C   5      21.811  -9.681   5.056  1.00 14.26           H   new
ATOM      0  HA3 GLY C   5      20.219 -10.279   5.478  1.00 14.26           H   new
ATOM     59  N   GLN C   6      21.105  -7.341   4.618  1.00 13.82           N
ATOM     60  CA  GLN C   6      20.649  -6.013   4.222  1.00 13.64           C
ATOM     61  C   GLN C   6      19.530  -6.110   3.185  1.00 12.68           C
ATOM     62  O   GLN C   6      18.787  -5.154   2.965  1.00 12.45           O
ATOM     63  CB  GLN C   6      21.815  -5.171   3.675  1.00 14.30           C
ATOM     64  CG  GLN C   6      22.369  -5.629   2.328  1.00 14.92           C
ATOM     65  CD  GLN C   6      23.064  -6.976   2.384  1.00 15.49           C
ATOM     66  OE1 GLN C   6      23.625  -7.357   3.411  1.00 15.79           O
ATOM     67  NE2 GLN C   6      23.032  -7.704   1.281  1.00 15.80           N
ATOM      0  H   GLN C   6      22.039  -7.581   4.286  1.00 13.82           H   new
ATOM      0  HA  GLN C   6      20.255  -5.517   5.109  1.00 13.64           H   new
ATOM      0  HB2 GLN C   6      21.483  -4.137   3.581  1.00 14.30           H   new
ATOM      0  HB3 GLN C   6      22.624  -5.181   4.405  1.00 14.30           H   new
ATOM      0  HG2 GLN C   6      21.553  -5.680   1.607  1.00 14.92           H   new
ATOM      0  HG3 GLN C   6      23.072  -4.882   1.961  1.00 14.92           H   new
ATOM      0 HE21 GLN C   6      22.556  -7.351   0.451  1.00 15.80           H   new
ATOM      0 HE22 GLN C   6      23.483  -8.618   1.260  1.00 15.80           H   new
ATOM     76  N   GLN C   7      19.410  -7.276   2.565  1.00 12.28           N
ATOM     77  CA  GLN C   7      18.372  -7.522   1.577  1.00 11.51           C
ATOM     78  C   GLN C   7      17.438  -8.627   2.056  1.00 10.75           C
ATOM     79  O   GLN C   7      16.769  -9.288   1.259  1.00 10.49           O
ATOM     80  CB  GLN C   7      18.998  -7.890   0.231  1.00 11.80           C
ATOM     81  CG  GLN C   7      19.700  -6.722  -0.442  1.00 12.20           C
ATOM     82  CD  GLN C   7      20.594  -7.152  -1.583  1.00 12.74           C
ATOM     83  OE1 GLN C   7      21.778  -7.430  -1.383  1.00 12.97           O
ATOM     84  NE2 GLN C   7      20.042  -7.214  -2.783  1.00 13.13           N
ATOM      0  H   GLN C   7      20.025  -8.072   2.732  1.00 12.28           H   new
ATOM      0  HA  GLN C   7      17.788  -6.611   1.447  1.00 11.51           H   new
ATOM      0  HB2 GLN C   7      19.713  -8.699   0.379  1.00 11.80           H   new
ATOM      0  HB3 GLN C   7      18.221  -8.269  -0.432  1.00 11.80           H   new
ATOM      0  HG2 GLN C   7      18.953  -6.022  -0.816  1.00 12.20           H   new
ATOM      0  HG3 GLN C   7      20.295  -6.187   0.298  1.00 12.20           H   new
ATOM      0 HE21 GLN C   7      19.058  -6.975  -2.905  1.00 13.13           H   new
ATOM      0 HE22 GLN C   7      20.600  -7.501  -3.587  1.00 13.13           H   new
ATOM     93  N   ASN C   8      17.411  -8.828   3.371  1.00 10.61           N
ATOM     94  CA  ASN C   8      16.493  -9.781   3.984  1.00 10.12           C
ATOM     95  C   ASN C   8      15.066  -9.316   3.749  1.00  9.04           C
ATOM     96  O   ASN C   8      14.178 -10.107   3.437  1.00  8.88           O
ATOM     97  CB  ASN C   8      16.770  -9.901   5.486  1.00 10.85           C
ATOM     98  CG  ASN C   8      15.847 -10.883   6.183  1.00 11.31           C
ATOM     99  OD1 ASN C   8      15.408 -11.872   5.599  1.00 11.47           O
ATOM    100  ND2 ASN C   8      15.544 -10.613   7.443  1.00 11.74           N
ATOM      0  H   ASN C   8      18.016  -8.342   4.033  1.00 10.61           H   new
ATOM      0  HA  ASN C   8      16.637 -10.763   3.532  1.00 10.12           H   new
ATOM      0  HB2 ASN C   8      17.803 -10.214   5.635  1.00 10.85           H   new
ATOM      0  HB3 ASN C   8      16.664  -8.920   5.949  1.00 10.85           H   new
ATOM      0 HD21 ASN C   8      14.926 -11.236   7.964  1.00 11.74           H   new
ATOM      0 HD22 ASN C   8      15.928  -9.782   7.893  1.00 11.74           H   new
ATOM    107  N   LEU C   9      14.861  -8.018   3.893  1.00  8.49           N
ATOM    108  CA  LEU C   9      13.599  -7.399   3.543  1.00  7.55           C
ATOM    109  C   LEU C   9      13.798  -6.516   2.318  1.00  6.52           C
ATOM    110  O   LEU C   9      13.968  -5.299   2.429  1.00  6.53           O
ATOM    111  CB  LEU C   9      13.052  -6.580   4.717  1.00  7.88           C
ATOM    112  CG  LEU C   9      11.676  -5.952   4.486  1.00  8.24           C
ATOM    113  CD1 LEU C   9      10.624  -7.027   4.264  1.00  8.67           C
ATOM    114  CD2 LEU C   9      11.296  -5.068   5.662  1.00  8.72           C
ATOM      0  H   LEU C   9      15.561  -7.369   4.253  1.00  8.49           H   new
ATOM      0  HA  LEU C   9      12.870  -8.176   3.313  1.00  7.55           H   new
ATOM      0  HB2 LEU C   9      12.997  -7.224   5.595  1.00  7.88           H   new
ATOM      0  HB3 LEU C   9      13.762  -5.786   4.948  1.00  7.88           H   new
ATOM      0  HG  LEU C   9      11.725  -5.335   3.589  1.00  8.24           H   new
ATOM      0 HD11 LEU C   9       9.653  -6.558   4.102  1.00  8.67           H   new
ATOM      0 HD12 LEU C   9      10.890  -7.622   3.390  1.00  8.67           H   new
ATOM      0 HD13 LEU C   9      10.573  -7.673   5.141  1.00  8.67           H   new
ATOM      0 HD21 LEU C   9      10.315  -4.628   5.484  1.00  8.72           H   new
ATOM      0 HD22 LEU C   9      11.265  -5.667   6.572  1.00  8.72           H   new
ATOM      0 HD23 LEU C   9      12.035  -4.274   5.774  1.00  8.72           H   new
ATOM    126  N   ALA C  10      13.810  -7.149   1.151  1.00  5.93           N
ATOM    127  CA  ALA C  10      14.031  -6.447  -0.104  1.00  5.15           C
ATOM    128  C   ALA C  10      12.896  -5.469  -0.382  1.00  4.09           C
ATOM    129  O   ALA C  10      11.726  -5.812  -0.206  1.00  3.79           O
ATOM    130  CB  ALA C  10      14.160  -7.445  -1.245  1.00  5.31           C
ATOM      0  H   ALA C  10      13.668  -8.154   1.050  1.00  5.93           H   new
ATOM      0  HA  ALA C  10      14.958  -5.880  -0.024  1.00  5.15           H   new
ATOM      0  HB1 ALA C  10      14.325  -6.909  -2.180  1.00  5.31           H   new
ATOM      0  HB2 ALA C  10      15.003  -8.109  -1.054  1.00  5.31           H   new
ATOM      0  HB3 ALA C  10      13.245  -8.032  -1.320  1.00  5.31           H   new
ATOM    136  N   PRO C  11      13.223  -4.232  -0.801  1.00  4.05           N
ATOM    137  CA  PRO C  11      12.225  -3.201  -1.118  1.00  3.68           C
ATOM    138  C   PRO C  11      11.438  -3.496  -2.400  1.00  2.90           C
ATOM    139  O   PRO C  11      11.385  -2.669  -3.313  1.00  3.43           O
ATOM    140  CB  PRO C  11      13.054  -1.919  -1.293  1.00  4.66           C
ATOM    141  CG  PRO C  11      14.414  -2.245  -0.777  1.00  5.25           C
ATOM    142  CD  PRO C  11      14.590  -3.721  -0.969  1.00  5.02           C
ATOM      0  HA  PRO C  11      11.471  -3.137  -0.333  1.00  3.68           H   new
ATOM      0  HB2 PRO C  11      13.094  -1.618  -2.340  1.00  4.66           H   new
ATOM      0  HB3 PRO C  11      12.614  -1.089  -0.740  1.00  4.66           H   new
ATOM      0  HG2 PRO C  11      15.179  -1.688  -1.317  1.00  5.25           H   new
ATOM      0  HG3 PRO C  11      14.506  -1.975   0.275  1.00  5.25           H   new
ATOM      0  HD2 PRO C  11      14.992  -3.956  -1.954  1.00  5.02           H   new
ATOM      0  HD3 PRO C  11      15.275  -4.146  -0.235  1.00  5.02           H   new
ATOM    150  N   GLY C  12      10.831  -4.676  -2.459  1.00  2.28           N
ATOM    151  CA  GLY C  12       9.963  -5.014  -3.571  1.00  2.25           C
ATOM    152  C   GLY C  12       8.671  -4.231  -3.513  1.00  1.93           C
ATOM    153  O   GLY C  12       8.013  -4.009  -4.531  1.00  2.19           O
ATOM      0  H   GLY C  12      10.925  -5.407  -1.754  1.00  2.28           H   new
ATOM      0  HA2 GLY C  12      10.475  -4.808  -4.511  1.00  2.25           H   new
ATOM      0  HA3 GLY C  12       9.745  -6.082  -3.554  1.00  2.25           H   new
ATOM    157  N   ALA C  13       8.307  -3.820  -2.308  1.00  1.67           N
ATOM    158  CA  ALA C  13       7.171  -2.943  -2.104  1.00  1.63           C
ATOM    159  C   ALA C  13       7.657  -1.571  -1.670  1.00  1.27           C
ATOM    160  O   ALA C  13       8.281  -1.426  -0.615  1.00  1.33           O
ATOM    161  CB  ALA C  13       6.221  -3.524  -1.069  1.00  2.07           C
ATOM      0  H   ALA C  13       8.790  -4.085  -1.450  1.00  1.67           H   new
ATOM      0  HA  ALA C  13       6.626  -2.848  -3.043  1.00  1.63           H   new
ATOM      0  HB1 ALA C  13       5.376  -2.850  -0.932  1.00  2.07           H   new
ATOM      0  HB2 ALA C  13       5.859  -4.494  -1.411  1.00  2.07           H   new
ATOM      0  HB3 ALA C  13       6.746  -3.646  -0.121  1.00  2.07           H   new
ATOM    167  N   ARG C  14       7.388  -0.575  -2.492  1.00  1.06           N
ATOM    168  CA  ARG C  14       7.848   0.778  -2.241  1.00  0.77           C
ATOM    169  C   ARG C  14       6.863   1.763  -2.853  1.00  0.65           C
ATOM    170  O   ARG C  14       6.293   1.495  -3.911  1.00  0.73           O
ATOM    171  CB  ARG C  14       9.244   0.961  -2.847  1.00  0.75           C
ATOM    172  CG  ARG C  14       9.903   2.288  -2.514  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.304   2.380  -3.101  1.00  1.12           C
ATOM    174  NE  ARG C  14      11.295   2.368  -4.565  1.00  1.74           N
ATOM    175  CZ  ARG C  14      12.365   2.630  -5.321  1.00  2.20           C
ATOM    176  NH1 ARG C  14      13.532   2.911  -4.754  1.00  2.19           N
ATOM    177  NH2 ARG C  14      12.266   2.607  -6.643  1.00  3.18           N
ATOM      0  H   ARG C  14       6.846  -0.680  -3.350  1.00  1.06           H   new
ATOM      0  HA  ARG C  14       7.907   0.961  -1.168  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14       9.887   0.152  -2.499  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14       9.172   0.867  -3.931  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14       9.292   3.105  -2.899  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14       9.952   2.409  -1.432  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      11.783   3.294  -2.750  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      11.904   1.546  -2.737  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      10.418   2.146  -5.037  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.614   2.927  -3.737  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      14.346   3.110  -5.335  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      11.372   2.389  -7.084  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      13.084   2.807  -7.219  1.00  3.18           H   new
ATOM    191  N   CYS C  15       6.647   2.889  -2.181  1.00  0.53           N
ATOM    192  CA  CYS C  15       5.724   3.898  -2.676  1.00  0.46           C
ATOM    193  C   CYS C  15       6.230   4.480  -3.988  1.00  0.42           C
ATOM    194  O   CYS C  15       7.173   5.268  -3.995  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.547   5.018  -1.645  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.486   6.373  -2.208  1.00  0.48           S
ATOM      0  H   CYS C  15       7.097   3.123  -1.296  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       4.758   3.422  -2.847  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.126   4.595  -0.733  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.527   5.420  -1.388  1.00  0.46           H   new
ATOM    201  N   GLY C  16       5.594   4.097  -5.089  1.00  0.56           N
ATOM    202  CA  GLY C  16       5.991   4.585  -6.398  1.00  0.65           C
ATOM    203  C   GLY C  16       5.670   6.054  -6.587  1.00  0.54           C
ATOM    204  O   GLY C  16       6.123   6.683  -7.539  1.00  0.61           O
ATOM      0  H   GLY C  16       4.804   3.452  -5.098  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       7.062   4.429  -6.532  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       5.486   4.003  -7.169  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.877   6.596  -5.676  1.00  0.52           N
ATOM    209  CA  VAL C  17       4.546   8.012  -5.693  1.00  0.65           C
ATOM    210  C   VAL C  17       5.718   8.834  -5.163  1.00  0.66           C
ATOM    211  O   VAL C  17       5.919   9.981  -5.550  1.00  0.86           O
ATOM    212  CB  VAL C  17       3.288   8.298  -4.843  1.00  0.78           C
ATOM    213  CG1 VAL C  17       2.918   9.775  -4.882  1.00  1.04           C
ATOM    214  CG2 VAL C  17       2.122   7.443  -5.312  1.00  0.94           C
ATOM      0  H   VAL C  17       4.449   6.073  -4.912  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       4.340   8.296  -6.725  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       3.517   8.038  -3.809  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       2.029   9.944  -4.274  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       3.744  10.368  -4.489  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       2.716  10.072  -5.911  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       1.245   7.658  -4.702  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.902   7.668  -6.356  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.382   6.389  -5.215  1.00  0.94           H   new
ATOM    224  N   CYS C  18       6.502   8.228  -4.285  1.00  0.55           N
ATOM    225  CA  CYS C  18       7.628   8.921  -3.673  1.00  0.70           C
ATOM    226  C   CYS C  18       8.967   8.379  -4.161  1.00  0.68           C
ATOM    227  O   CYS C  18       9.923   9.131  -4.335  1.00  0.84           O
ATOM    228  CB  CYS C  18       7.553   8.810  -2.153  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.133   9.653  -1.431  1.00  0.82           S
ATOM      0  H   CYS C  18       6.381   7.262  -3.980  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       7.563   9.968  -3.970  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       7.517   7.756  -1.876  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       8.466   9.222  -1.723  1.00  0.82           H   new
ATOM    234  N   GLY C  19       9.026   7.074  -4.384  1.00  0.60           N
ATOM    235  CA  GLY C  19      10.281   6.434  -4.717  1.00  0.67           C
ATOM    236  C   GLY C  19      11.029   6.022  -3.468  1.00  0.68           C
ATOM    237  O   GLY C  19      12.176   5.583  -3.530  1.00  0.77           O
ATOM      0  H   GLY C  19       8.224   6.446  -4.340  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19      10.093   5.558  -5.338  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.896   7.115  -5.305  1.00  0.67           H   new
ATOM    241  N   ASP C  20      10.359   6.158  -2.327  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.964   5.868  -1.035  1.00  0.70           C
ATOM    243  C   ASP C  20      10.117   4.886  -0.245  1.00  0.52           C
ATOM    244  O   ASP C  20       8.906   4.785  -0.456  1.00  0.44           O
ATOM    245  CB  ASP C  20      11.136   7.147  -0.208  1.00  0.80           C
ATOM    246  CG  ASP C  20      12.202   8.068  -0.756  1.00  1.30           C
ATOM    247  OD1 ASP C  20      13.384   7.662  -0.806  1.00  1.40           O
ATOM    248  OD2 ASP C  20      11.865   9.203  -1.151  1.00  2.10           O
ATOM      0  H   ASP C  20       9.389   6.470  -2.274  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.942   5.429  -1.231  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      10.186   7.681  -0.173  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20      11.389   6.878   0.818  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.763   4.162   0.654  1.00  0.55           N
ATOM    254  CA  GLY C  21      10.054   3.263   1.540  1.00  0.51           C
ATOM    255  C   GLY C  21      10.228   3.664   2.988  1.00  0.45           C
ATOM    256  O   GLY C  21       9.973   2.875   3.900  1.00  0.51           O
ATOM      0  H   GLY C  21      11.774   4.181   0.787  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       8.994   3.261   1.286  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      10.418   2.246   1.396  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.675   4.894   3.193  1.00  0.44           N
ATOM    261  CA  THR C  22      10.900   5.423   4.527  1.00  0.46           C
ATOM    262  C   THR C  22       9.592   5.884   5.165  1.00  0.39           C
ATOM    263  O   THR C  22       8.858   6.691   4.584  1.00  0.41           O
ATOM    264  CB  THR C  22      11.894   6.595   4.482  1.00  0.60           C
ATOM    265  OG1 THR C  22      13.102   6.173   3.838  1.00  1.06           O
ATOM    266  CG2 THR C  22      12.207   7.102   5.881  1.00  0.90           C
ATOM      0  H   THR C  22      10.891   5.550   2.442  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.319   4.620   5.134  1.00  0.46           H   new
ATOM      0  HB  THR C  22      11.440   7.410   3.919  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      13.735   6.921   3.808  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      12.912   7.931   5.818  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      11.288   7.443   6.359  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.645   6.296   6.470  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.312   5.357   6.360  1.00  0.41           N
ATOM    275  CA  ASP C  23       8.085   5.670   7.092  1.00  0.45           C
ATOM    276  C   ASP C  23       6.869   5.399   6.213  1.00  0.38           C
ATOM    277  O   ASP C  23       5.942   6.201   6.111  1.00  0.42           O
ATOM    278  CB  ASP C  23       8.104   7.122   7.587  1.00  0.59           C
ATOM    279  CG  ASP C  23       6.967   7.430   8.544  1.00  1.39           C
ATOM    280  OD1 ASP C  23       6.929   6.844   9.644  1.00  1.75           O
ATOM    281  OD2 ASP C  23       6.090   8.247   8.187  1.00  2.23           O
ATOM      0  H   ASP C  23       9.928   4.704   6.845  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       8.023   5.025   7.969  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       9.054   7.320   8.083  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       8.045   7.794   6.731  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.893   4.251   5.564  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.845   3.873   4.644  1.00  0.31           C
ATOM    288  C   VAL C  24       4.831   2.988   5.366  1.00  0.32           C
ATOM    289  O   VAL C  24       5.175   2.310   6.336  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.444   3.141   3.420  1.00  0.36           C
ATOM    291  CG1 VAL C  24       6.660   1.662   3.694  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.589   3.355   2.187  1.00  1.16           C
ATOM      0  H   VAL C  24       7.636   3.559   5.661  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.337   4.768   4.284  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.425   3.576   3.228  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.082   1.186   2.809  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.347   1.544   4.532  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       5.706   1.194   3.938  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       6.033   2.830   1.341  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       4.586   2.969   2.368  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.533   4.420   1.964  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.585   3.013   4.924  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.547   2.234   5.577  1.00  0.30           C
ATOM    304  C   LEU C  25       2.372   0.889   4.892  1.00  0.30           C
ATOM    305  O   LEU C  25       2.551   0.764   3.677  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.222   2.998   5.600  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.239   4.306   6.397  1.00  0.37           C
ATOM    308  CD1 LEU C  25      -0.114   4.988   6.321  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.622   4.045   7.849  1.00  0.48           C
ATOM      0  H   LEU C  25       3.269   3.559   4.123  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.858   2.059   6.607  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       0.931   3.220   4.573  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.453   2.347   6.016  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       1.987   4.967   5.958  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25      -0.086   5.916   6.892  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.352   5.209   5.281  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.877   4.329   6.736  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.628   4.986   8.398  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.898   3.367   8.300  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.614   3.595   7.888  1.00  0.48           H   new
ATOM    321  N   ARG C  26       2.035  -0.112   5.687  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.851  -1.470   5.200  1.00  0.33           C
ATOM    323  C   ARG C  26       0.371  -1.820   5.191  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.397  -1.315   6.011  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.607  -2.452   6.102  1.00  0.42           C
ATOM    326  CG  ARG C  26       4.105  -2.202   6.178  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.792  -2.479   4.850  1.00  0.95           C
ATOM    328  NE  ARG C  26       4.616  -3.867   4.427  1.00  1.64           N
ATOM    329  CZ  ARG C  26       5.269  -4.432   3.414  1.00  2.21           C
ATOM    330  NH1 ARG C  26       6.183  -3.743   2.738  1.00  2.24           N
ATOM    331  NH2 ARG C  26       5.019  -5.695   3.094  1.00  3.18           N
ATOM      0  H   ARG C  26       1.881  -0.007   6.690  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.242  -1.540   4.185  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.190  -2.399   7.108  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.437  -3.466   5.739  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.286  -1.168   6.472  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.540  -2.835   6.951  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.390  -1.813   4.087  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       5.856  -2.258   4.938  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       3.948  -4.441   4.942  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       6.387  -2.777   2.995  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       6.681  -4.180   1.963  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       4.329  -6.228   3.623  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       5.517  -6.133   2.319  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.034  -2.681   4.270  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.414  -3.129   4.226  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.593  -4.289   5.198  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.729  -5.154   5.312  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.814  -3.543   2.803  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.606  -3.611   2.544  1.00  0.37           S
ATOM      0  H   CYS C  27       0.568  -3.080   3.550  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.066  -2.307   4.521  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.379  -2.839   2.093  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.386  -4.522   2.585  1.00  0.29           H   new
ATOM    355  N   THR C  28      -2.703  -4.298   5.912  1.00  0.25           N
ATOM    356  CA  THR C  28      -2.927  -5.294   6.947  1.00  0.31           C
ATOM    357  C   THR C  28      -3.563  -6.570   6.402  1.00  0.33           C
ATOM    358  O   THR C  28      -3.592  -7.592   7.086  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.799  -4.725   8.078  1.00  0.39           C
ATOM    360  OG1 THR C  28      -4.893  -3.981   7.521  1.00  0.75           O
ATOM    361  CG2 THR C  28      -2.977  -3.829   8.993  1.00  0.72           C
ATOM      0  H   THR C  28      -3.464  -3.628   5.796  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -1.945  -5.554   7.342  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -4.188  -5.556   8.667  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -4.586  -3.084   7.272  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.614  -3.437   9.786  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -2.163  -4.406   9.432  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.564  -3.001   8.417  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.067  -6.521   5.173  1.00  0.31           N
ATOM    370  CA  HIS C  29      -4.698  -7.676   4.579  1.00  0.36           C
ATOM    371  C   HIS C  29      -3.852  -8.208   3.415  1.00  0.34           C
ATOM    372  O   HIS C  29      -3.970  -9.369   3.030  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.124  -7.296   4.150  1.00  0.41           C
ATOM    374  CG  HIS C  29      -6.782  -8.272   3.238  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -6.654  -8.413   1.912  1.00  0.91           N   flip
ATOM    376  CD2 HIS C  29      -7.685  -9.226   3.646  1.00  1.16           C   flip
ATOM    377  CE1 HIS C  29      -7.472  -9.444   1.526  1.00  1.23           C   flip
ATOM    378  NE2 HIS C  29      -8.083  -9.920   2.596  1.00  1.43           N   flip
ATOM      0  H   HIS C  29      -4.047  -5.693   4.577  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -4.768  -8.487   5.304  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -6.739  -7.183   5.043  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.094  -6.324   3.658  1.00  0.41           H   new
ATOM      0  HD1 HIS C  29      -6.057  -7.855   1.301  1.00  0.91           H   new
ATOM      0  HD2 HIS C  29      -8.015  -9.382   4.662  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29      -7.596  -9.806   0.516  1.00  1.23           H   new
ATOM    387  N   CYS C  30      -2.986  -7.364   2.867  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.082  -7.797   1.808  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.714  -7.165   2.017  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.500  -6.451   2.991  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.635  -7.441   0.417  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.277  -5.759  -0.148  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.890  -6.384   3.135  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -1.990  -8.882   1.854  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.228  -8.145  -0.309  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.716  -7.581   0.427  1.00  0.42           H   new
ATOM    397  N   ALA C  31       0.195  -7.421   1.098  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.551  -6.917   1.198  1.00  0.37           C
ATOM    399  C   ALA C  31       1.728  -5.706   0.301  1.00  0.36           C
ATOM    400  O   ALA C  31       1.668  -5.819  -0.926  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.545  -8.003   0.824  1.00  0.47           C
ATOM      0  H   ALA C  31       0.017  -7.981   0.265  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.738  -6.616   2.229  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.559  -7.611   0.903  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.430  -8.850   1.500  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.361  -8.328  -0.200  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.962  -4.556   0.911  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.079  -3.310   0.174  1.00  0.35           C
ATOM    409  C   ALA C  32       2.777  -2.254   1.011  1.00  0.33           C
ATOM    410  O   ALA C  32       2.634  -2.226   2.233  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.703  -2.815  -0.249  1.00  0.37           C
ATOM      0  H   ALA C  32       2.075  -4.460   1.920  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.678  -3.496  -0.718  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.806  -1.880  -0.800  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.228  -3.561  -0.886  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.088  -2.648   0.636  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.532  -1.399   0.347  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.195  -0.286   1.000  1.00  0.38           C
ATOM    419  C   ALA C  33       3.821   1.009   0.304  1.00  0.37           C
ATOM    420  O   ALA C  33       4.198   1.244  -0.846  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.699  -0.485   0.988  1.00  0.45           C
ATOM      0  H   ALA C  33       3.703  -1.456  -0.657  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       3.869  -0.235   2.039  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.182   0.359   1.482  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       5.948  -1.405   1.516  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.049  -0.551  -0.042  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.071   1.841   1.001  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.617   3.103   0.452  1.00  0.36           C
ATOM    429  C   PHE C  34       2.273   4.057   1.581  1.00  0.32           C
ATOM    430  O   PHE C  34       1.797   3.635   2.629  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.383   2.881  -0.434  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.173   2.395   0.323  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.045   1.059   0.671  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.827   3.280   0.695  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -1.059   0.617   1.373  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.931   2.843   1.398  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -2.047   1.509   1.738  1.00  0.61           C
ATOM      0  H   PHE C  34       2.761   1.663   1.956  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.414   3.533  -0.155  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.135   3.816  -0.937  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.630   2.157  -1.211  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       0.816   0.357   0.390  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.741   4.324   0.431  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -1.149  -0.426   1.636  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.703   3.543   1.682  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.910   1.165   2.289  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.549   5.332   1.387  1.00  0.32           N
ATOM    448  CA  HIS C  35       2.084   6.342   2.320  1.00  0.32           C
ATOM    449  C   HIS C  35       0.595   6.552   2.090  1.00  0.33           C
ATOM    450  O   HIS C  35       0.155   6.539   0.936  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.825   7.670   2.129  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.321   7.573   2.204  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.092   7.360   1.082  1.00  0.42           N
ATOM    454  CD2 HIS C  35       5.139   7.686   3.281  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.347   7.354   1.494  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.426   7.545   2.819  1.00  0.42           N
ATOM      0  H   HIS C  35       3.088   5.692   0.599  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.278   6.000   3.337  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.550   8.087   1.160  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.482   8.374   2.888  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.837   7.854   4.304  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.200   7.213   0.847  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       7.279   7.579   3.378  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.174   6.724   3.151  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.624   6.844   3.026  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.993   7.952   2.047  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.741   7.725   1.094  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.262   7.113   4.392  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.754   7.221   4.341  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.502   8.342   4.554  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.680   6.169   4.046  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.837   8.049   4.423  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.972   6.723   4.107  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.540   4.812   3.739  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -7.116   5.967   3.870  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.677   4.064   3.504  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.950   4.643   3.571  1.00  0.68           C
ATOM      0  H   TRP C  36       0.176   6.784   4.107  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -2.009   5.900   2.640  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.986   6.312   5.077  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.852   8.037   4.800  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -4.103   9.317   4.791  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.604   8.711   4.542  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.562   4.358   3.687  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -8.100   6.410   3.920  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.583   3.015   3.265  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.820   4.031   3.382  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.408   9.127   2.256  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.714  10.313   1.456  1.00  0.44           C
ATOM    490  C   ARG C  37      -1.321  10.142  -0.009  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.750  10.910  -0.870  1.00  0.51           O
ATOM    492  CB  ARG C  37      -1.003  11.532   2.033  1.00  0.61           C
ATOM    493  CG  ARG C  37      -1.481  11.918   3.420  1.00  0.70           C
ATOM    494  CD  ARG C  37      -0.888  13.247   3.850  1.00  1.05           C
ATOM    495  NE  ARG C  37      -1.208  14.315   2.902  1.00  1.72           N
ATOM    496  CZ  ARG C  37      -0.703  15.546   2.969  1.00  2.32           C
ATOM    497  NH1 ARG C  37       0.142  15.872   3.941  1.00  2.37           N
ATOM    498  NH2 ARG C  37      -1.039  16.449   2.058  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.710   9.286   2.982  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.794  10.456   1.496  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.068  11.333   2.070  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -1.147  12.378   1.360  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -2.569  11.982   3.429  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -1.201  11.143   4.134  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37      -1.266  13.512   4.837  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37       0.194  13.151   3.938  1.00  1.05           H   new
ATOM      0  HE  ARG C  37      -1.857  14.104   2.144  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       0.407  15.178   4.640  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       0.526  16.816   3.988  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37      -1.683  16.201   1.307  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37      -0.653  17.392   2.108  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.508   9.138  -0.284  1.00  0.37           N
ATOM    513  CA  CYS C  38      -0.053   8.869  -1.636  1.00  0.36           C
ATOM    514  C   CYS C  38      -1.085   8.036  -2.398  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.087   7.999  -3.627  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.310   8.183  -1.586  1.00  0.34           C
ATOM    517  SG  CYS C  38       2.519   9.122  -0.624  1.00  0.54           S
ATOM      0  H   CYS C  38      -0.147   8.491   0.417  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.058   9.809  -2.177  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.198   7.189  -1.153  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.683   8.048  -2.601  1.00  0.34           H   new
ATOM    522  N   HIS C  39      -1.949   7.349  -1.656  1.00  0.35           N
ATOM    523  CA  HIS C  39      -3.034   6.577  -2.260  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.387   7.241  -2.010  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.333   7.038  -2.766  1.00  0.61           O
ATOM    526  CB  HIS C  39      -3.061   5.149  -1.710  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.131   4.200  -2.404  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -2.430   2.870  -2.595  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -0.898   4.383  -2.934  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -1.426   2.276  -3.205  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -0.482   3.171  -3.427  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.920   7.310  -0.637  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.849   6.543  -3.334  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.808   5.176  -0.650  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -4.077   4.763  -1.786  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.345   5.310  -2.963  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -1.382   1.232  -3.478  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39       0.410   2.992  -3.889  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.476   8.009  -0.936  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.715   8.678  -0.561  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.445  10.138  -0.223  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.442  10.454   0.412  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.350   7.989   0.652  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.943   6.637   0.364  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -6.138   5.513   0.262  1.00  0.55           C
ATOM    547  CD2 PHE C  40      -8.312   6.492   0.211  1.00  0.71           C
ATOM    548  CE1 PHE C  40      -6.689   4.271   0.011  1.00  0.66           C
ATOM    549  CE2 PHE C  40      -8.867   5.253  -0.042  1.00  0.80           C
ATOM    550  CZ  PHE C  40      -8.055   4.141  -0.140  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.697   8.187  -0.302  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.401   8.622  -1.406  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.594   7.881   1.430  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.130   8.636   1.054  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -5.069   5.609   0.380  1.00  0.55           H   new
ATOM      0  HD2 PHE C  40      -8.953   7.358   0.290  1.00  0.71           H   new
ATOM      0  HE1 PHE C  40      -6.052   3.403  -0.067  1.00  0.66           H   new
ATOM      0  HE2 PHE C  40      -9.936   5.154  -0.163  1.00  0.80           H   new
ATOM      0  HZ  PHE C  40      -8.488   3.171  -0.335  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.328  11.048  -0.658  1.00  0.89           N
ATOM    561  CA  PRO C  41      -6.231  12.466  -0.316  1.00  1.04           C
ATOM    562  C   PRO C  41      -6.306  12.683   1.191  1.00  1.30           C
ATOM    563  O   PRO C  41      -6.981  11.941   1.908  1.00  1.93           O
ATOM    564  CB  PRO C  41      -7.437  13.103  -1.017  1.00  1.81           C
ATOM    565  CG  PRO C  41      -8.355  11.970  -1.327  1.00  2.12           C
ATOM    566  CD  PRO C  41      -7.476  10.773  -1.530  1.00  1.43           C
ATOM      0  HA  PRO C  41      -5.281  12.900  -0.629  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -7.922  13.838  -0.375  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -7.134  13.624  -1.925  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -9.059  11.804  -0.512  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -8.944  12.178  -2.220  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -7.982   9.849  -1.250  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -7.174  10.667  -2.572  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -5.614  13.717   1.650  1.00  1.64           N
ATOM    575  CA  ALA C  42      -5.436  13.989   3.077  1.00  2.34           C
ATOM    576  C   ALA C  42      -6.758  14.233   3.800  1.00  1.92           C
ATOM    577  O   ALA C  42      -6.826  14.143   5.029  1.00  2.41           O
ATOM    578  CB  ALA C  42      -4.513  15.183   3.269  1.00  3.30           C
ATOM      0  H   ALA C  42      -5.156  14.397   1.043  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -4.989  13.098   3.518  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -4.387  15.378   4.334  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -3.542  14.968   2.822  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -4.948  16.060   2.789  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -7.797  14.560   3.042  1.00  1.37           N
ATOM    585  CA  GLY C  43      -9.105  14.763   3.629  1.00  1.46           C
ATOM    586  C   GLY C  43      -9.748  13.458   4.045  1.00  1.21           C
ATOM    587  O   GLY C  43     -10.616  13.434   4.920  1.00  1.41           O
ATOM      0  H   GLY C  43      -7.756  14.688   2.031  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -9.015  15.416   4.497  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43      -9.749  15.272   2.912  1.00  1.46           H   new
ATOM    591  N   THR C  44      -9.311  12.371   3.424  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.825  11.047   3.726  1.00  0.76           C
ATOM    593  C   THR C  44      -9.144  10.495   4.977  1.00  0.65           C
ATOM    594  O   THR C  44      -7.952  10.723   5.197  1.00  0.73           O
ATOM    595  CB  THR C  44      -9.599  10.092   2.534  1.00  0.83           C
ATOM    596  OG1 THR C  44     -10.132  10.678   1.335  1.00  1.03           O
ATOM    597  CG2 THR C  44     -10.261   8.741   2.773  1.00  0.99           C
ATOM      0  H   THR C  44      -8.593  12.384   2.700  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.897  11.124   3.908  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -8.526   9.935   2.427  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -9.985  10.070   0.581  1.00  1.03           H   new
ATOM      0 HG21 THR C  44     -10.083   8.092   1.916  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.840   8.283   3.668  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -11.334   8.880   2.907  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.897   9.773   5.792  1.00  0.67           N
ATOM    606  CA  SER C  45      -9.393   9.289   7.065  1.00  0.69           C
ATOM    607  C   SER C  45      -8.721   7.930   6.907  1.00  0.61           C
ATOM    608  O   SER C  45      -9.271   7.021   6.280  1.00  0.66           O
ATOM    609  CB  SER C  45     -10.543   9.181   8.065  1.00  0.91           C
ATOM    610  OG  SER C  45     -11.333  10.358   8.058  1.00  1.60           O
ATOM      0  H   SER C  45     -10.862   9.509   5.593  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -8.651   9.998   7.432  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -11.164   8.320   7.819  1.00  0.91           H   new
ATOM      0  HB3 SER C  45     -10.145   9.011   9.066  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -12.064  10.265   8.704  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -7.527   7.807   7.467  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.807   6.545   7.471  1.00  0.70           C
ATOM    618  C   ARG C  46      -7.414   5.603   8.507  1.00  0.82           C
ATOM    619  O   ARG C  46      -7.616   5.989   9.660  1.00  0.97           O
ATOM    620  CB  ARG C  46      -5.320   6.780   7.761  1.00  0.86           C
ATOM    621  CG  ARG C  46      -5.051   7.570   9.033  1.00  1.10           C
ATOM    622  CD  ARG C  46      -3.563   7.694   9.312  1.00  1.09           C
ATOM    623  NE  ARG C  46      -3.286   8.656  10.378  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -2.215   8.607  11.172  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -1.354   7.598  11.076  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -2.013   9.560  12.074  1.00  2.68           N
ATOM      0  H   ARG C  46      -7.034   8.572   7.927  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.894   6.085   6.487  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.818   5.815   7.833  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.876   7.308   6.917  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -5.489   8.564   8.944  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -5.540   7.081   9.876  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -3.163   6.719   9.590  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -3.048   8.002   8.402  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -3.954   9.413  10.524  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -1.511   6.857  10.393  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46      -0.537   7.565  11.685  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -2.677  10.330  12.160  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46      -1.194   9.522  12.681  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.741   4.364   8.107  1.00  0.82           N
ATOM    641  CA  PRO C  47      -8.355   3.387   9.006  1.00  1.01           C
ATOM    642  C   PRO C  47      -7.442   3.018  10.166  1.00  1.13           C
ATOM    643  O   PRO C  47      -6.258   2.727   9.975  1.00  1.14           O
ATOM    644  CB  PRO C  47      -8.597   2.160   8.117  1.00  1.02           C
ATOM    645  CG  PRO C  47      -8.500   2.660   6.717  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.548   3.819   6.756  1.00  0.70           C
ATOM      0  HA  PRO C  47      -9.264   3.781   9.461  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -7.856   1.384   8.309  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -9.576   1.722   8.311  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -8.137   1.879   6.048  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -9.477   2.970   6.345  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.518   3.500   6.593  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -7.779   4.556   5.987  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -7.998   3.036  11.367  1.00  1.31           N
ATOM    655  CA  GLY C  48      -7.253   2.631  12.536  1.00  1.49           C
ATOM    656  C   GLY C  48      -7.449   1.160  12.825  1.00  1.61           C
ATOM    657  O   GLY C  48      -6.622   0.525  13.482  1.00  1.90           O
ATOM      0  H   GLY C  48      -8.958   3.326  11.552  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -6.193   2.837  12.385  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -7.572   3.219  13.396  1.00  1.49           H   new
ATOM    661  N   THR C  49      -8.546   0.619  12.313  1.00  1.53           N
ATOM    662  CA  THR C  49      -8.858  -0.791  12.463  1.00  1.70           C
ATOM    663  C   THR C  49      -8.265  -1.597  11.311  1.00  1.25           C
ATOM    664  O   THR C  49      -8.963  -2.359  10.640  1.00  1.89           O
ATOM    665  CB  THR C  49     -10.383  -1.009  12.517  1.00  2.25           C
ATOM    666  OG1 THR C  49     -11.019  -0.296  11.444  1.00  2.72           O
ATOM    667  CG2 THR C  49     -10.948  -0.542  13.849  1.00  2.75           C
ATOM      0  H   THR C  49      -9.241   1.145  11.784  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -8.419  -1.134  13.400  1.00  1.70           H   new
ATOM      0  HB  THR C  49     -10.581  -2.076  12.411  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -11.987  -0.441  11.484  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -12.026  -0.705  13.865  1.00  2.75           H   new
ATOM      0 HG22 THR C  49     -10.484  -1.105  14.659  1.00  2.75           H   new
ATOM      0 HG23 THR C  49     -10.740   0.520  13.980  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -6.974  -1.417  11.082  1.00  0.82           N
ATOM    676  CA  GLY C  50      -6.315  -2.105   9.995  1.00  0.74           C
ATOM    677  C   GLY C  50      -6.115  -1.212   8.790  1.00  0.57           C
ATOM    678  O   GLY C  50      -7.076  -0.855   8.107  1.00  0.60           O
ATOM      0  H   GLY C  50      -6.370  -0.805  11.631  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -5.348  -2.475  10.335  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -6.906  -2.974   9.707  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -4.867  -0.835   8.542  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.528  -0.026   7.380  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.747  -0.850   6.111  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.181  -1.935   5.957  1.00  0.33           O
ATOM    686  CB  LEU C  51      -3.068   0.450   7.492  1.00  0.50           C
ATOM    687  CG  LEU C  51      -2.665   1.661   6.632  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.612   1.304   5.154  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -3.619   2.825   6.863  1.00  0.86           C
ATOM      0  H   LEU C  51      -4.071  -1.078   9.132  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -5.169   0.854   7.334  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -2.869   0.693   8.536  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.418  -0.384   7.230  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -1.663   1.963   6.938  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.324   2.183   4.577  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -1.880   0.512   4.997  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.594   0.961   4.827  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -3.317   3.671   6.246  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -4.632   2.524   6.595  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.592   3.114   7.914  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.575  -0.339   5.215  1.00  0.32           N
ATOM    702  CA  ARG C  52      -5.941  -1.067   4.008  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.597  -0.259   2.767  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.845   0.943   2.710  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.439  -1.388   4.023  1.00  0.48           C
ATOM    706  CG  ARG C  52      -7.849  -2.329   5.144  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.354  -2.327   5.364  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.094  -2.906   4.245  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.415  -2.809   4.108  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -12.132  -2.162   5.018  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -12.021  -3.362   3.066  1.00  2.65           N
ATOM      0  H   ARG C  52      -6.009   0.580   5.300  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.374  -1.998   3.983  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -8.000  -0.458   4.117  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.716  -1.833   3.067  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.518  -3.340   4.908  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -7.347  -2.036   6.066  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.584  -2.884   6.272  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.691  -1.303   5.525  1.00  0.79           H   new
ATOM      0  HE  ARG C  52      -9.571  -3.412   3.530  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.671  -1.738   5.823  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -13.144  -2.088   4.912  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -11.475  -3.864   2.366  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -13.033  -3.285   2.965  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -5.002  -0.922   1.785  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.705  -0.286   0.513  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.987  -0.183  -0.307  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.920  -0.948  -0.049  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.631  -1.077  -0.245  1.00  0.47           C
ATOM    730  SG  CYS C  53      -4.221  -2.600  -1.021  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.716  -1.899   1.846  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -4.315   0.716   0.690  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -3.202  -0.436  -1.015  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.826  -1.326   0.447  1.00  0.47           H   new
ATOM    735  N   ARG C  54      -6.051   0.720  -1.286  1.00  0.58           N
ATOM    736  CA  ARG C  54      -7.328   0.999  -1.960  1.00  0.68           C
ATOM    737  C   ARG C  54      -7.945  -0.271  -2.553  1.00  0.64           C
ATOM    738  O   ARG C  54      -9.167  -0.406  -2.597  1.00  0.68           O
ATOM    739  CB  ARG C  54      -7.198   2.093  -3.037  1.00  0.87           C
ATOM    740  CG  ARG C  54      -6.131   1.835  -4.085  1.00  1.28           C
ATOM    741  CD  ARG C  54      -6.304   2.732  -5.307  1.00  1.82           C
ATOM    742  NE  ARG C  54      -6.324   4.162  -4.972  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -5.811   5.124  -5.749  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -5.190   4.812  -6.881  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -5.920   6.394  -5.391  1.00  4.09           N
ATOM      0  H   ARG C  54      -5.257   1.261  -1.627  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -8.001   1.377  -1.191  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -8.159   2.205  -3.538  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -6.982   3.042  -2.546  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -5.146   2.002  -3.649  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -6.170   0.790  -4.393  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -5.493   2.540  -6.009  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -7.233   2.470  -5.814  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -6.756   4.440  -4.091  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -5.102   3.835  -7.162  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -4.801   5.549  -7.469  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -6.395   6.640  -4.523  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -5.529   7.126  -5.984  1.00  4.09           H   new
ATOM    759  N   SER C  55      -7.102  -1.210  -2.967  1.00  0.62           N
ATOM    760  CA  SER C  55      -7.579  -2.466  -3.529  1.00  0.65           C
ATOM    761  C   SER C  55      -8.316  -3.291  -2.467  1.00  0.60           C
ATOM    762  O   SER C  55      -9.412  -3.798  -2.716  1.00  0.68           O
ATOM    763  CB  SER C  55      -6.406  -3.265  -4.109  1.00  0.72           C
ATOM    764  OG  SER C  55      -6.858  -4.411  -4.812  1.00  1.54           O
ATOM      0  H   SER C  55      -6.086  -1.125  -2.924  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -8.281  -2.240  -4.332  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -5.827  -2.630  -4.780  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -5.738  -3.570  -3.304  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -6.088  -4.899  -5.171  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.725  -3.405  -1.278  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.335  -4.169  -0.187  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.542  -3.439   0.390  1.00  0.61           C
ATOM    773  O   CYS C  56     -10.422  -4.055   0.987  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.325  -4.442   0.928  1.00  0.50           C
ATOM    775  SG  CYS C  56      -5.987  -5.560   0.464  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.828  -2.980  -1.045  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.665  -5.119  -0.607  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.895  -3.494   1.252  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.852  -4.862   1.785  1.00  0.50           H   new
ATOM    780  N   SER C  57      -9.572  -2.125   0.221  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.674  -1.313   0.718  1.00  0.74           C
ATOM    782  C   SER C  57     -11.890  -1.414  -0.204  1.00  0.89           C
ATOM    783  O   SER C  57     -12.923  -0.788   0.043  1.00  1.13           O
ATOM    784  CB  SER C  57     -10.228   0.142   0.845  1.00  0.78           C
ATOM    785  OG  SER C  57      -9.113   0.254   1.713  1.00  1.25           O
ATOM      0  H   SER C  57      -8.843  -1.597  -0.258  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.963  -1.688   1.700  1.00  0.74           H   new
ATOM      0  HB2 SER C  57      -9.970   0.535  -0.138  1.00  0.78           H   new
ATOM      0  HB3 SER C  57     -11.051   0.747   1.224  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -8.316  -0.104   1.269  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.759  -2.204  -1.265  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.847  -2.385  -2.204  1.00  1.06           C
ATOM    793  C   GLY C  58     -13.039  -1.169  -3.078  1.00  1.50           C
ATOM    794  O   GLY C  58     -12.096  -0.699  -3.714  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.912  -2.725  -1.491  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -12.647  -3.255  -2.830  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -13.768  -2.590  -1.658  1.00  1.06           H   new
ATOM    798  N   ASP C  59     -14.256  -0.655  -3.114  1.00  2.14           N
ATOM    799  CA  ASP C  59     -14.535   0.567  -3.846  1.00  3.08           C
ATOM    800  C   ASP C  59     -14.342   1.766  -2.932  1.00  3.78           C
ATOM    801  O   ASP C  59     -14.754   1.750  -1.770  1.00  4.32           O
ATOM    802  CB  ASP C  59     -15.956   0.558  -4.426  1.00  3.95           C
ATOM    803  CG  ASP C  59     -17.034   0.523  -3.362  1.00  4.66           C
ATOM    804  OD1 ASP C  59     -17.383  -0.587  -2.902  1.00  5.12           O
ATOM    805  OD2 ASP C  59     -17.546   1.603  -2.993  1.00  5.15           O
ATOM      0  H   ASP C  59     -15.065  -1.064  -2.646  1.00  2.14           H   new
ATOM      0  HA  ASP C  59     -13.838   0.635  -4.682  1.00  3.08           H   new
ATOM      0  HB2 ASP C  59     -16.094   1.444  -5.045  1.00  3.95           H   new
ATOM      0  HB3 ASP C  59     -16.070  -0.308  -5.078  1.00  3.95           H   new
ATOM    810  N   VAL C  60     -13.686   2.789  -3.445  1.00  4.28           N
ATOM    811  CA  VAL C  60     -13.431   3.989  -2.670  1.00  5.35           C
ATOM    812  C   VAL C  60     -14.531   5.015  -2.908  1.00  6.12           C
ATOM    813  O   VAL C  60     -14.909   5.280  -4.050  1.00  6.50           O
ATOM    814  CB  VAL C  60     -12.062   4.609  -3.022  1.00  5.93           C
ATOM    815  CG1 VAL C  60     -11.786   5.834  -2.163  1.00  6.76           C
ATOM    816  CG2 VAL C  60     -10.952   3.580  -2.861  1.00  6.03           C
ATOM      0  H   VAL C  60     -13.319   2.814  -4.396  1.00  4.28           H   new
ATOM      0  HA  VAL C  60     -13.418   3.704  -1.618  1.00  5.35           H   new
ATOM      0  HB  VAL C  60     -12.090   4.925  -4.065  1.00  5.93           H   new
ATOM      0 HG11 VAL C  60     -10.816   6.254  -2.429  1.00  6.76           H   new
ATOM      0 HG12 VAL C  60     -12.563   6.580  -2.332  1.00  6.76           H   new
ATOM      0 HG13 VAL C  60     -11.781   5.547  -1.111  1.00  6.76           H   new
ATOM      0 HG21 VAL C  60      -9.994   4.035  -3.114  1.00  6.03           H   new
ATOM      0 HG22 VAL C  60     -10.927   3.231  -1.829  1.00  6.03           H   new
ATOM      0 HG23 VAL C  60     -11.139   2.736  -3.525  1.00  6.03           H   new
ATOM    826  N   THR C  61     -15.065   5.565  -1.832  1.00  6.63           N
ATOM    827  CA  THR C  61     -16.093   6.582  -1.934  1.00  7.54           C
ATOM    828  C   THR C  61     -15.457   7.968  -1.985  1.00  8.48           C
ATOM    829  O   THR C  61     -14.765   8.370  -1.048  1.00  8.83           O
ATOM    830  CB  THR C  61     -17.075   6.502  -0.749  1.00  7.91           C
ATOM    831  OG1 THR C  61     -16.353   6.544   0.488  1.00  7.75           O
ATOM    832  CG2 THR C  61     -17.902   5.227  -0.814  1.00  8.22           C
ATOM      0  H   THR C  61     -14.802   5.323  -0.877  1.00  6.63           H   new
ATOM      0  HA  THR C  61     -16.651   6.405  -2.854  1.00  7.54           H   new
ATOM      0  HB  THR C  61     -17.749   7.356  -0.807  1.00  7.91           H   new
ATOM      0  HG1 THR C  61     -15.539   7.077   0.373  1.00  7.75           H   new
ATOM      0 HG21 THR C  61     -18.587   5.194   0.033  1.00  8.22           H   new
ATOM      0 HG22 THR C  61     -18.472   5.210  -1.743  1.00  8.22           H   new
ATOM      0 HG23 THR C  61     -17.240   4.362  -0.779  1.00  8.22           H   new
ATOM    840  N   PRO C  62     -15.659   8.699  -3.092  1.00  9.10           N
ATOM    841  CA  PRO C  62     -15.111  10.049  -3.264  1.00 10.15           C
ATOM    842  C   PRO C  62     -15.502  10.982  -2.121  1.00 10.94           C
ATOM    843  O   PRO C  62     -16.657  11.000  -1.686  1.00 11.04           O
ATOM    844  CB  PRO C  62     -15.737  10.526  -4.577  1.00 10.68           C
ATOM    845  CG  PRO C  62     -16.062   9.278  -5.318  1.00 10.16           C
ATOM    846  CD  PRO C  62     -16.433   8.267  -4.271  1.00  9.07           C
ATOM      0  HA  PRO C  62     -14.021  10.046  -3.273  1.00 10.15           H   new
ATOM      0  HB2 PRO C  62     -16.631  11.122  -4.395  1.00 10.68           H   new
ATOM      0  HB3 PRO C  62     -15.045  11.152  -5.141  1.00 10.68           H   new
ATOM      0  HG2 PRO C  62     -16.885   9.440  -6.015  1.00 10.16           H   new
ATOM      0  HG3 PRO C  62     -15.209   8.938  -5.905  1.00 10.16           H   new
ATOM      0  HD2 PRO C  62     -17.505   8.269  -4.072  1.00  9.07           H   new
ATOM      0  HD3 PRO C  62     -16.168   7.255  -4.577  1.00  9.07           H   new
ATOM    854  N   ALA C  63     -14.531  11.735  -1.626  1.00 11.65           N
ATOM    855  CA  ALA C  63     -14.766  12.672  -0.541  1.00 12.54           C
ATOM    856  C   ALA C  63     -15.566  13.872  -1.034  1.00 13.45           C
ATOM    857  O   ALA C  63     -15.239  14.461  -2.067  1.00 13.86           O
ATOM    858  CB  ALA C  63     -13.447  13.122   0.065  1.00 13.10           C
ATOM      0  H   ALA C  63     -13.568  11.714  -1.962  1.00 11.65           H   new
ATOM      0  HA  ALA C  63     -15.347  12.168   0.231  1.00 12.54           H   new
ATOM      0  HB1 ALA C  63     -13.640  13.824   0.876  1.00 13.10           H   new
ATOM      0  HB2 ALA C  63     -12.911  12.256   0.454  1.00 13.10           H   new
ATOM      0  HB3 ALA C  63     -12.843  13.609  -0.700  1.00 13.10           H   new
ATOM    864  N   PRO C  64     -16.638  14.230  -0.313  1.00 13.89           N
ATOM    865  CA  PRO C  64     -17.495  15.357  -0.683  1.00 14.85           C
ATOM    866  C   PRO C  64     -16.794  16.706  -0.517  1.00 15.87           C
ATOM    867  O   PRO C  64     -16.875  17.340   0.537  1.00 16.55           O
ATOM    868  CB  PRO C  64     -18.683  15.239   0.278  1.00 15.07           C
ATOM    869  CG  PRO C  64     -18.163  14.478   1.448  1.00 14.50           C
ATOM    870  CD  PRO C  64     -17.107  13.553   0.910  1.00 13.64           C
ATOM      0  HA  PRO C  64     -17.781  15.320  -1.734  1.00 14.85           H   new
ATOM      0  HB2 PRO C  64     -19.047  16.222   0.577  1.00 15.07           H   new
ATOM      0  HB3 PRO C  64     -19.519  14.719  -0.190  1.00 15.07           H   new
ATOM      0  HG2 PRO C  64     -17.746  15.152   2.197  1.00 14.50           H   new
ATOM      0  HG3 PRO C  64     -18.961  13.917   1.934  1.00 14.50           H   new
ATOM      0  HD2 PRO C  64     -16.297  13.412   1.625  1.00 13.64           H   new
ATOM      0  HD3 PRO C  64     -17.514  12.566   0.690  1.00 13.64           H   new
ATOM    878  N   VAL C  65     -16.101  17.134  -1.566  1.00 16.09           N
ATOM    879  CA  VAL C  65     -15.412  18.421  -1.565  1.00 17.13           C
ATOM    880  C   VAL C  65     -16.241  19.485  -2.275  1.00 17.88           C
ATOM    881  O   VAL C  65     -15.751  20.574  -2.584  1.00 18.07           O
ATOM    882  CB  VAL C  65     -14.025  18.329  -2.240  1.00 17.14           C
ATOM    883  CG1 VAL C  65     -13.095  17.436  -1.438  1.00 17.22           C
ATOM    884  CG2 VAL C  65     -14.150  17.819  -3.670  1.00 16.99           C
ATOM      0  H   VAL C  65     -16.001  16.606  -2.433  1.00 16.09           H   new
ATOM      0  HA  VAL C  65     -15.275  18.702  -0.521  1.00 17.13           H   new
ATOM      0  HB  VAL C  65     -13.599  19.332  -2.271  1.00 17.14           H   new
ATOM      0 HG11 VAL C  65     -12.124  17.385  -1.931  1.00 17.22           H   new
ATOM      0 HG12 VAL C  65     -12.972  17.846  -0.436  1.00 17.22           H   new
ATOM      0 HG13 VAL C  65     -13.520  16.435  -1.371  1.00 17.22           H   new
ATOM      0 HG21 VAL C  65     -13.161  17.763  -4.124  1.00 16.99           H   new
ATOM      0 HG22 VAL C  65     -14.603  16.828  -3.664  1.00 16.99           H   new
ATOM      0 HG23 VAL C  65     -14.775  18.501  -4.246  1.00 16.99           H   new
ATOM    894  N   GLU C  66     -17.495  19.162  -2.538  1.00 18.42           N
ATOM    895  CA  GLU C  66     -18.393  20.084  -3.207  1.00 19.24           C
ATOM    896  C   GLU C  66     -19.801  19.917  -2.657  1.00 19.89           C
ATOM    897  O   GLU C  66     -20.530  19.028  -3.140  1.00 20.26           O
ATOM    898  CB  GLU C  66     -18.375  19.841  -4.719  1.00 19.51           C
ATOM    899  CG  GLU C  66     -19.095  20.915  -5.517  1.00 19.47           C
ATOM    900  CD  GLU C  66     -18.525  22.296  -5.274  1.00 19.59           C
ATOM    901  OE1 GLU C  66     -17.436  22.598  -5.805  1.00 19.53           O
ATOM    902  OE2 GLU C  66     -19.166  23.088  -4.554  1.00 19.84           O
ATOM    903  OXT GLU C  66     -20.162  20.655  -1.722  1.00 20.13           O
ATOM      0  H   GLU C  66     -17.915  18.264  -2.297  1.00 18.42           H   new
ATOM      0  HA  GLU C  66     -18.060  21.105  -3.021  1.00 19.24           H   new
ATOM      0  HB2 GLU C  66     -17.340  19.782  -5.057  1.00 19.51           H   new
ATOM      0  HB3 GLU C  66     -18.834  18.875  -4.929  1.00 19.51           H   new
ATOM      0  HG2 GLU C  66     -19.029  20.680  -6.579  1.00 19.47           H   new
ATOM      0  HG3 GLU C  66     -20.153  20.911  -5.255  1.00 19.47           H   new
TER     910      GLU C  66
HETATM  911 ZN    ZN C 101       4.586   8.114  -0.708  1.00  0.44          ZN
HETATM  912 ZN    ZN C 102      -4.021  -4.382   0.426  1.00  0.49          ZN