USER  MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12
USER  MOD reduce.3.24.130724 removed 438 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD NoAdj-H: C  35 HIS HD1 : C  35 HIS ND1 : C 101  ZNZN   :(H bumps)
USER  MOD Set 1.1: C  28 THR OG1 :   rot   66:sc=   0.184
USER  MOD Set 1.2: C  29 HIS     :FLIP no HD1:sc=   0.155  F(o=-0.47,f=0.34)
USER  MOD Single : C   1 GLY N   :NH3+   -136:sc=  0.0068   (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     :FLIP  amide:sc=-0.000671  F(o=-0.96,f=-0.00067)
USER  MOD Single : C   8 ASN     :      amide:sc=       0  X(o=0,f=-0.04)
USER  MOD Single : C  22 THR OG1 :   rot   90:sc=    1.21
USER  MOD Single : C  39 HIS     :FLIP no HD1:sc=  -0.243  F(o=-0.8,f=-0.24)
USER  MOD Single : C  44 THR OG1 :   rot   80:sc=   0.965
USER  MOD Single : C  45 SER OG  :   rot   43:sc=  0.0418
USER  MOD Single : C  49 THR OG1 :   rot   60:sc= 0.00215
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot -177:sc=  0.0175
USER  MOD Single : C  61 THR OG1 :   rot   45:sc=  0.0778
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY C   1      31.329  -7.263  -7.327  1.00 20.38           N
ATOM      2  CA  GLY C   1      30.170  -6.374  -7.575  1.00 19.89           C
ATOM      3  C   GLY C   1      29.881  -5.487  -6.384  1.00 19.10           C
ATOM      4  O   GLY C   1      30.802  -4.991  -5.738  1.00 18.87           O
ATOM      0  H1  GLY C   1      31.944  -7.273  -8.165  1.00 20.38           H   new
ATOM      0  H2  GLY C   1      31.866  -6.913  -6.508  1.00 20.38           H   new
ATOM      0  H3  GLY C   1      30.992  -8.228  -7.134  1.00 20.38           H   new
ATOM      0  HA2 GLY C   1      30.367  -5.755  -8.451  1.00 19.89           H   new
ATOM      0  HA3 GLY C   1      29.291  -6.977  -7.802  1.00 19.89           H   new
ATOM     10  N   ALA C   2      28.605  -5.303  -6.079  1.00 18.81           N
ATOM     11  CA  ALA C   2      28.200  -4.468  -4.958  1.00 18.18           C
ATOM     12  C   ALA C   2      27.897  -5.316  -3.726  1.00 17.47           C
ATOM     13  O   ALA C   2      26.798  -5.261  -3.176  1.00 17.29           O
ATOM     14  CB  ALA C   2      26.991  -3.625  -5.337  1.00 18.51           C
ATOM      0  H   ALA C   2      27.830  -5.722  -6.594  1.00 18.81           H   new
ATOM      0  HA  ALA C   2      29.027  -3.802  -4.713  1.00 18.18           H   new
ATOM      0  HB1 ALA C   2      26.699  -3.006  -4.489  1.00 18.51           H   new
ATOM      0  HB2 ALA C   2      27.244  -2.986  -6.183  1.00 18.51           H   new
ATOM      0  HB3 ALA C   2      26.163  -4.279  -5.611  1.00 18.51           H   new
ATOM     20  N   MET C   3      28.876  -6.103  -3.300  1.00 17.21           N
ATOM     21  CA  MET C   3      28.717  -6.948  -2.120  1.00 16.67           C
ATOM     22  C   MET C   3      28.625  -6.089  -0.863  1.00 16.02           C
ATOM     23  O   MET C   3      27.963  -6.451   0.112  1.00 15.80           O
ATOM     24  CB  MET C   3      29.885  -7.933  -2.005  1.00 16.93           C
ATOM     25  CG  MET C   3      29.805  -8.839  -0.786  1.00 17.23           C
ATOM     26  SD  MET C   3      28.335  -9.885  -0.787  1.00 17.56           S
ATOM     27  CE  MET C   3      28.500 -10.694   0.803  1.00 18.06           C
ATOM      0  H   MET C   3      29.788  -6.175  -3.752  1.00 17.21           H   new
ATOM      0  HA  MET C   3      27.793  -7.517  -2.224  1.00 16.67           H   new
ATOM      0  HB2 MET C   3      29.918  -8.550  -2.903  1.00 16.93           H   new
ATOM      0  HB3 MET C   3      30.819  -7.372  -1.969  1.00 16.93           H   new
ATOM      0  HG2 MET C   3      30.694  -9.469  -0.749  1.00 17.23           H   new
ATOM      0  HG3 MET C   3      29.810  -8.228   0.116  1.00 17.23           H   new
ATOM      0  HE1 MET C   3      27.663 -11.377   0.952  1.00 18.06           H   new
ATOM      0  HE2 MET C   3      29.435 -11.254   0.831  1.00 18.06           H   new
ATOM      0  HE3 MET C   3      28.502  -9.944   1.594  1.00 18.06           H   new
ATOM     37  N   GLU C   4      29.283  -4.941  -0.899  1.00 15.89           N
ATOM     38  CA  GLU C   4      29.241  -4.008   0.210  1.00 15.45           C
ATOM     39  C   GLU C   4      28.978  -2.598  -0.304  1.00 14.85           C
ATOM     40  O   GLU C   4      29.376  -2.245  -1.416  1.00 14.73           O
ATOM     41  CB  GLU C   4      30.552  -4.055   1.004  1.00 15.88           C
ATOM     42  CG  GLU C   4      30.579  -3.124   2.210  1.00 16.30           C
ATOM     43  CD  GLU C   4      29.536  -3.471   3.255  1.00 16.61           C
ATOM     44  OE1 GLU C   4      28.334  -3.225   3.019  1.00 16.83           O
ATOM     45  OE2 GLU C   4      29.912  -3.982   4.328  1.00 16.78           O
ATOM      0  H   GLU C   4      29.853  -4.635  -1.687  1.00 15.89           H   new
ATOM      0  HA  GLU C   4      28.429  -4.295   0.878  1.00 15.45           H   new
ATOM      0  HB2 GLU C   4      30.723  -5.077   1.343  1.00 15.88           H   new
ATOM      0  HB3 GLU C   4      31.377  -3.797   0.340  1.00 15.88           H   new
ATOM      0  HG2 GLU C   4      31.568  -3.160   2.667  1.00 16.30           H   new
ATOM      0  HG3 GLU C   4      30.420  -2.099   1.874  1.00 16.30           H   new
ATOM     52  N   GLY C   5      28.294  -1.811   0.505  1.00 14.66           N
ATOM     53  CA  GLY C   5      27.999  -0.444   0.152  1.00 14.26           C
ATOM     54  C   GLY C   5      27.691   0.376   1.381  1.00 13.87           C
ATOM     55  O   GLY C   5      27.656  -0.158   2.491  1.00 13.77           O
ATOM      0  H   GLY C   5      27.933  -2.101   1.414  1.00 14.66           H   new
ATOM      0  HA2 GLY C   5      28.848  -0.010  -0.376  1.00 14.26           H   new
ATOM      0  HA3 GLY C   5      27.150  -0.416  -0.531  1.00 14.26           H   new
ATOM     59  N   GLN C   6      27.476   1.665   1.201  1.00 13.82           N
ATOM     60  CA  GLN C   6      27.136   2.532   2.317  1.00 13.64           C
ATOM     61  C   GLN C   6      25.649   2.839   2.306  1.00 12.68           C
ATOM     62  O   GLN C   6      24.929   2.503   3.243  1.00 12.45           O
ATOM     63  CB  GLN C   6      27.943   3.829   2.265  1.00 14.30           C
ATOM     64  CG  GLN C   6      29.437   3.617   2.416  1.00 14.92           C
ATOM     65  CD  GLN C   6      30.204   4.919   2.436  1.00 15.49           C
ATOM     66  OE1 GLN C   6      30.414   5.511   3.494  1.00 15.79           O
ATOM     67  NE2 GLN C   6      30.627   5.372   1.270  1.00 15.80           N
ATOM      0  H   GLN C   6      27.530   2.135   0.297  1.00 13.82           H   new
ATOM      0  HA  GLN C   6      27.385   2.012   3.242  1.00 13.64           H   new
ATOM      0  HB2 GLN C   6      27.749   4.331   1.317  1.00 14.30           H   new
ATOM      0  HB3 GLN C   6      27.597   4.495   3.055  1.00 14.30           H   new
ATOM      0  HG2 GLN C   6      29.632   3.069   3.338  1.00 14.92           H   new
ATOM      0  HG3 GLN C   6      29.798   2.998   1.595  1.00 14.92           H   new
ATOM      0 HE21 GLN C   6      30.430   4.848   0.417  1.00 15.80           H   new
ATOM      0 HE22 GLN C   6      31.151   6.246   1.222  1.00 15.80           H   new
ATOM     76  N   GLN C   7      25.185   3.454   1.233  1.00 12.28           N
ATOM     77  CA  GLN C   7      23.784   3.810   1.110  1.00 11.51           C
ATOM     78  C   GLN C   7      23.043   2.775   0.272  1.00 10.75           C
ATOM     79  O   GLN C   7      22.431   3.104  -0.744  1.00 10.49           O
ATOM     80  CB  GLN C   7      23.638   5.201   0.490  1.00 11.80           C
ATOM     81  CG  GLN C   7      24.314   6.296   1.301  1.00 12.20           C
ATOM     82  CD  GLN C   7      24.153   7.675   0.688  1.00 12.74           C
ATOM     83  OE1 GLN C   7      23.026   7.915   0.038  1.00 12.97           O   flip
ATOM     84  NE2 GLN C   7      25.032   8.529   0.817  1.00 13.13           N   flip
ATOM      0  H   GLN C   7      25.760   3.718   0.433  1.00 12.28           H   new
ATOM      0  HA  GLN C   7      23.344   3.828   2.107  1.00 11.51           H   new
ATOM      0  HB2 GLN C   7      24.061   5.189  -0.515  1.00 11.80           H   new
ATOM      0  HB3 GLN C   7      22.579   5.436   0.388  1.00 11.80           H   new
ATOM      0  HG2 GLN C   7      23.899   6.302   2.309  1.00 12.20           H   new
ATOM      0  HG3 GLN C   7      25.376   6.068   1.395  1.00 12.20           H   new
ATOM      0 HE21 GLN C   7      25.888   8.307   1.325  1.00 13.13           H   new
ATOM      0 HE22 GLN C   7      24.903   9.458   0.416  1.00 13.13           H   new
ATOM     93  N   ASN C   8      23.112   1.522   0.696  1.00 10.61           N
ATOM     94  CA  ASN C   8      22.414   0.448   0.007  1.00 10.12           C
ATOM     95  C   ASN C   8      20.998   0.315   0.540  1.00  9.04           C
ATOM     96  O   ASN C   8      20.784  -0.136   1.670  1.00  8.88           O
ATOM     97  CB  ASN C   8      23.158  -0.883   0.158  1.00 10.85           C
ATOM     98  CG  ASN C   8      22.402  -2.043  -0.472  1.00 11.31           C
ATOM     99  OD1 ASN C   8      21.623  -2.731   0.191  1.00 11.47           O
ATOM    100  ND2 ASN C   8      22.621  -2.265  -1.757  1.00 11.74           N
ATOM      0  H   ASN C   8      23.644   1.224   1.514  1.00 10.61           H   new
ATOM      0  HA  ASN C   8      22.376   0.698  -1.053  1.00 10.12           H   new
ATOM      0  HB2 ASN C   8      24.142  -0.801  -0.303  1.00 10.85           H   new
ATOM      0  HB3 ASN C   8      23.318  -1.089   1.216  1.00 10.85           H   new
ATOM      0 HD21 ASN C   8      22.138  -3.027  -2.232  1.00 11.74           H   new
ATOM      0 HD22 ASN C   8      23.273  -1.674  -2.273  1.00 11.74           H   new
ATOM    107  N   LEU C   9      20.036   0.735  -0.264  1.00  8.49           N
ATOM    108  CA  LEU C   9      18.639   0.647   0.112  1.00  7.55           C
ATOM    109  C   LEU C   9      17.964  -0.488  -0.644  1.00  6.52           C
ATOM    110  O   LEU C   9      18.042  -0.558  -1.873  1.00  6.53           O
ATOM    111  CB  LEU C   9      17.928   1.971  -0.181  1.00  7.88           C
ATOM    112  CG  LEU C   9      16.463   2.033   0.254  1.00  8.24           C
ATOM    113  CD1 LEU C   9      16.351   1.934   1.768  1.00  8.67           C
ATOM    114  CD2 LEU C   9      15.815   3.314  -0.251  1.00  8.72           C
ATOM      0  H   LEU C   9      20.200   1.142  -1.185  1.00  8.49           H   new
ATOM      0  HA  LEU C   9      18.576   0.444   1.181  1.00  7.55           H   new
ATOM      0  HB2 LEU C   9      18.472   2.775   0.315  1.00  7.88           H   new
ATOM      0  HB3 LEU C   9      17.981   2.164  -1.252  1.00  7.88           H   new
ATOM      0  HG  LEU C   9      15.935   1.185  -0.182  1.00  8.24           H   new
ATOM      0 HD11 LEU C   9      15.302   1.980   2.059  1.00  8.67           H   new
ATOM      0 HD12 LEU C   9      16.780   0.990   2.104  1.00  8.67           H   new
ATOM      0 HD13 LEU C   9      16.891   2.761   2.228  1.00  8.67           H   new
ATOM      0 HD21 LEU C   9      14.773   3.344   0.066  1.00  8.72           H   new
ATOM      0 HD22 LEU C   9      16.344   4.175   0.158  1.00  8.72           H   new
ATOM      0 HD23 LEU C   9      15.864   3.342  -1.340  1.00  8.72           H   new
ATOM    126  N   ALA C  10      17.329  -1.388   0.089  1.00  5.93           N
ATOM    127  CA  ALA C  10      16.601  -2.487  -0.524  1.00  5.15           C
ATOM    128  C   ALA C  10      15.232  -2.015  -0.999  1.00  4.09           C
ATOM    129  O   ALA C  10      14.445  -1.485  -0.213  1.00  3.79           O
ATOM    130  CB  ALA C  10      16.457  -3.643   0.455  1.00  5.31           C
ATOM      0  H   ALA C  10      17.303  -1.379   1.109  1.00  5.93           H   new
ATOM      0  HA  ALA C  10      17.165  -2.838  -1.388  1.00  5.15           H   new
ATOM      0  HB1 ALA C  10      15.910  -4.457  -0.021  1.00  5.31           H   new
ATOM      0  HB2 ALA C  10      17.445  -3.995   0.751  1.00  5.31           H   new
ATOM      0  HB3 ALA C  10      15.913  -3.307   1.337  1.00  5.31           H   new
ATOM    136  N   PRO C  11      14.938  -2.193  -2.297  1.00  4.05           N
ATOM    137  CA  PRO C  11      13.670  -1.760  -2.901  1.00  3.68           C
ATOM    138  C   PRO C  11      12.471  -2.623  -2.492  1.00  2.90           C
ATOM    139  O   PRO C  11      11.553  -2.837  -3.286  1.00  3.43           O
ATOM    140  CB  PRO C  11      13.937  -1.886  -4.401  1.00  4.66           C
ATOM    141  CG  PRO C  11      14.966  -2.955  -4.513  1.00  5.25           C
ATOM    142  CD  PRO C  11      15.826  -2.837  -3.285  1.00  5.02           C
ATOM      0  HA  PRO C  11      13.397  -0.756  -2.577  1.00  3.68           H   new
ATOM      0  HB2 PRO C  11      13.030  -2.151  -4.944  1.00  4.66           H   new
ATOM      0  HB3 PRO C  11      14.296  -0.946  -4.820  1.00  4.66           H   new
ATOM      0  HG2 PRO C  11      14.501  -3.939  -4.570  1.00  5.25           H   new
ATOM      0  HG3 PRO C  11      15.560  -2.831  -5.418  1.00  5.25           H   new
ATOM      0  HD2 PRO C  11      16.168  -3.813  -2.940  1.00  5.02           H   new
ATOM      0  HD3 PRO C  11      16.716  -2.237  -3.475  1.00  5.02           H   new
ATOM    150  N   GLY C  12      12.480  -3.117  -1.263  1.00  2.28           N
ATOM    151  CA  GLY C  12      11.369  -3.904  -0.775  1.00  2.25           C
ATOM    152  C   GLY C  12      10.297  -3.022  -0.177  1.00  1.93           C
ATOM    153  O   GLY C  12       9.229  -2.843  -0.760  1.00  2.19           O
ATOM      0  H   GLY C  12      13.239  -2.986  -0.594  1.00  2.28           H   new
ATOM      0  HA2 GLY C  12      10.948  -4.490  -1.592  1.00  2.25           H   new
ATOM      0  HA3 GLY C  12      11.722  -4.611  -0.025  1.00  2.25           H   new
ATOM    157  N   ALA C  13      10.594  -2.454   0.980  1.00  1.67           N
ATOM    158  CA  ALA C  13       9.696  -1.514   1.624  1.00  1.63           C
ATOM    159  C   ALA C  13       9.846  -0.137   0.991  1.00  1.27           C
ATOM    160  O   ALA C  13      10.536   0.736   1.519  1.00  1.33           O
ATOM    161  CB  ALA C  13       9.979  -1.454   3.116  1.00  2.07           C
ATOM      0  H   ALA C  13      11.457  -2.630   1.494  1.00  1.67           H   new
ATOM      0  HA  ALA C  13       8.669  -1.850   1.485  1.00  1.63           H   new
ATOM      0  HB1 ALA C  13       9.298  -0.745   3.587  1.00  2.07           H   new
ATOM      0  HB2 ALA C  13       9.834  -2.442   3.554  1.00  2.07           H   new
ATOM      0  HB3 ALA C  13      11.008  -1.132   3.279  1.00  2.07           H   new
ATOM    167  N   ARG C  14       9.218   0.039  -0.159  1.00  1.06           N
ATOM    168  CA  ARG C  14       9.318   1.280  -0.904  1.00  0.77           C
ATOM    169  C   ARG C  14       7.972   1.646  -1.515  1.00  0.65           C
ATOM    170  O   ARG C  14       7.360   0.837  -2.213  1.00  0.73           O
ATOM    171  CB  ARG C  14      10.378   1.145  -2.002  1.00  0.75           C
ATOM    172  CG  ARG C  14      10.528   2.385  -2.870  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.646   2.228  -3.893  1.00  1.12           C
ATOM    174  NE  ARG C  14      11.396   1.133  -4.831  1.00  1.74           N
ATOM    175  CZ  ARG C  14      12.073   0.959  -5.967  1.00  2.20           C
ATOM    176  NH1 ARG C  14      13.025   1.816  -6.321  1.00  2.19           N
ATOM    177  NH2 ARG C  14      11.792  -0.073  -6.751  1.00  3.18           N
ATOM      0  H   ARG C  14       8.629  -0.668  -0.599  1.00  1.06           H   new
ATOM      0  HA  ARG C  14       9.613   2.076  -0.220  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14      11.339   0.919  -1.540  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14      10.123   0.297  -2.638  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14       9.589   2.583  -3.386  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      10.733   3.249  -2.238  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      11.760   3.159  -4.448  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      12.587   2.050  -3.373  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      10.661   0.464  -4.603  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.242   2.613  -5.723  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      13.539   1.677  -7.191  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      11.060  -0.731  -6.485  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      12.308  -0.208  -7.620  1.00  3.18           H   new
ATOM    191  N   CYS C  15       7.518   2.863  -1.246  1.00  0.53           N
ATOM    192  CA  CYS C  15       6.274   3.354  -1.812  1.00  0.46           C
ATOM    193  C   CYS C  15       6.442   3.596  -3.306  1.00  0.42           C
ATOM    194  O   CYS C  15       7.257   4.420  -3.719  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.846   4.646  -1.116  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.401   5.429  -1.859  1.00  0.48           S
ATOM      0  H   CYS C  15       7.996   3.528  -0.638  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       5.499   2.603  -1.659  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.633   4.430  -0.069  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.678   5.350  -1.133  1.00  0.46           H   new
ATOM    201  N   GLY C  16       5.661   2.875  -4.104  1.00  0.56           N
ATOM    202  CA  GLY C  16       5.777   2.960  -5.548  1.00  0.65           C
ATOM    203  C   GLY C  16       5.411   4.325  -6.096  1.00  0.54           C
ATOM    204  O   GLY C  16       5.947   4.749  -7.121  1.00  0.61           O
ATOM      0  H   GLY C  16       4.945   2.229  -3.773  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       6.800   2.721  -5.839  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       5.132   2.208  -6.003  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.510   5.019  -5.412  1.00  0.52           N
ATOM    209  CA  VAL C  17       4.057   6.330  -5.865  1.00  0.65           C
ATOM    210  C   VAL C  17       5.112   7.403  -5.604  1.00  0.66           C
ATOM    211  O   VAL C  17       5.429   8.202  -6.485  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.735   6.745  -5.180  1.00  0.78           C
ATOM    213  CG1 VAL C  17       2.287   8.114  -5.662  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.649   5.716  -5.441  1.00  0.94           C
ATOM      0  H   VAL C  17       4.079   4.698  -4.545  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.888   6.246  -6.938  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       2.913   6.797  -4.106  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       1.355   8.387  -5.167  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       3.053   8.852  -5.425  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       2.131   8.087  -6.740  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.727   6.027  -4.950  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.478   5.632  -6.514  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       1.961   4.749  -5.046  1.00  0.94           H   new
ATOM    224  N   CYS C  18       5.667   7.407  -4.401  1.00  0.55           N
ATOM    225  CA  CYS C  18       6.586   8.464  -3.999  1.00  0.70           C
ATOM    226  C   CYS C  18       8.031   8.120  -4.351  1.00  0.68           C
ATOM    227  O   CYS C  18       8.817   8.996  -4.714  1.00  0.84           O
ATOM    228  CB  CYS C  18       6.453   8.734  -2.500  1.00  0.82           C
ATOM    229  SG  CYS C  18       4.772   9.140  -1.981  1.00  0.82           S
ATOM      0  H   CYS C  18       5.499   6.696  -3.690  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       6.319   9.365  -4.551  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       6.791   7.856  -1.950  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       7.116   9.555  -2.228  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.374   6.843  -4.259  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.734   6.417  -4.525  1.00  0.67           C
ATOM    236  C   GLY C  19      10.509   6.171  -3.248  1.00  0.68           C
ATOM    237  O   GLY C  19      11.509   5.455  -3.246  1.00  0.77           O
ATOM      0  H   GLY C  19       7.733   6.092  -4.004  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.718   5.505  -5.122  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.243   7.177  -5.118  1.00  0.67           H   new
ATOM    241  N   ASP C  20      10.038   6.763  -2.160  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.682   6.617  -0.859  1.00  0.70           C
ATOM    243  C   ASP C  20       9.984   5.543  -0.035  1.00  0.52           C
ATOM    244  O   ASP C  20       8.785   5.307  -0.198  1.00  0.44           O
ATOM    245  CB  ASP C  20      10.667   7.958  -0.116  1.00  0.80           C
ATOM    246  CG  ASP C  20      11.164   7.846   1.312  1.00  1.30           C
ATOM    247  OD1 ASP C  20      12.363   7.576   1.505  1.00  1.40           O
ATOM    248  OD2 ASP C  20      10.358   8.038   2.248  1.00  2.10           O
ATOM      0  H   ASP C  20       9.206   7.353  -2.151  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.717   6.310  -1.011  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20      11.287   8.674  -0.656  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20       9.652   8.354  -0.112  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.734   4.879   0.834  1.00  0.55           N
ATOM    254  CA  GLY C  21      10.163   3.842   1.669  1.00  0.51           C
ATOM    255  C   GLY C  21      10.288   4.158   3.145  1.00  0.45           C
ATOM    256  O   GLY C  21      10.051   3.299   3.993  1.00  0.51           O
ATOM      0  H   GLY C  21      11.731   5.041   0.976  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       9.111   3.713   1.415  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      10.660   2.895   1.459  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.661   5.392   3.450  1.00  0.44           N
ATOM    261  CA  THR C  22      10.815   5.823   4.828  1.00  0.46           C
ATOM    262  C   THR C  22       9.452   6.158   5.419  1.00  0.39           C
ATOM    263  O   THR C  22       8.650   6.841   4.775  1.00  0.41           O
ATOM    264  CB  THR C  22      11.736   7.054   4.913  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.910   6.835   4.115  1.00  1.06           O
ATOM    266  CG2 THR C  22      12.143   7.338   6.351  1.00  0.90           C
ATOM      0  H   THR C  22      10.863   6.113   2.758  1.00  0.44           H   new
ATOM      0  HA  THR C  22      11.268   5.011   5.396  1.00  0.46           H   new
ATOM      0  HB  THR C  22      11.187   7.917   4.536  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.749   7.152   3.202  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      12.793   8.213   6.379  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      11.253   7.528   6.950  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      12.675   6.477   6.755  1.00  0.90           H   new
ATOM    274  N   ASP C  23       9.186   5.659   6.629  1.00  0.41           N
ATOM    275  CA  ASP C  23       7.896   5.872   7.283  1.00  0.45           C
ATOM    276  C   ASP C  23       6.781   5.346   6.384  1.00  0.38           C
ATOM    277  O   ASP C  23       5.791   6.022   6.105  1.00  0.42           O
ATOM    278  CB  ASP C  23       7.703   7.361   7.606  1.00  0.59           C
ATOM    279  CG  ASP C  23       6.386   7.667   8.297  1.00  1.39           C
ATOM    280  OD1 ASP C  23       6.040   6.971   9.272  1.00  1.75           O
ATOM    281  OD2 ASP C  23       5.686   8.607   7.861  1.00  2.23           O
ATOM      0  H   ASP C  23       9.847   5.105   7.174  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       7.866   5.325   8.226  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       8.523   7.696   8.241  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       7.761   7.935   6.681  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.966   4.127   5.909  1.00  0.33           N
ATOM    287  CA  VAL C  24       6.051   3.555   4.950  1.00  0.31           C
ATOM    288  C   VAL C  24       4.928   2.796   5.656  1.00  0.32           C
ATOM    289  O   VAL C  24       5.144   2.123   6.672  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.789   2.642   3.937  1.00  0.36           C
ATOM    291  CG1 VAL C  24       7.121   1.279   4.525  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.992   2.505   2.655  1.00  1.16           C
ATOM      0  H   VAL C  24       7.741   3.519   6.174  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.605   4.375   4.387  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.738   3.124   3.702  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.637   0.676   3.778  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.764   1.405   5.396  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       6.200   0.777   4.823  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       6.529   1.860   1.960  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       5.018   2.068   2.877  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.854   3.488   2.205  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.728   2.946   5.132  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.562   2.270   5.659  1.00  0.30           C
ATOM    304  C   LEU C  25       2.352   0.964   4.908  1.00  0.30           C
ATOM    305  O   LEU C  25       2.625   0.874   3.708  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.327   3.177   5.551  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.346   4.404   6.468  1.00  0.37           C
ATOM    308  CD1 LEU C  25       0.136   5.284   6.208  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.385   3.981   7.929  1.00  0.48           C
ATOM      0  H   LEU C  25       3.535   3.542   4.327  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.717   2.044   6.714  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       1.231   3.514   4.519  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.439   2.586   5.777  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       2.246   4.978   6.249  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25       0.167   6.150   6.869  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25       0.146   5.618   5.171  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -0.775   4.716   6.398  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.398   4.867   8.564  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.503   3.383   8.158  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.282   3.390   8.113  1.00  0.48           H   new
ATOM    321  N   ARG C  26       1.893  -0.053   5.616  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.770  -1.385   5.043  1.00  0.33           C
ATOM    323  C   ARG C  26       0.322  -1.837   5.037  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.425  -1.555   5.971  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.615  -2.379   5.843  1.00  0.42           C
ATOM    326  CG  ARG C  26       4.094  -2.034   5.880  1.00  0.98           C
ATOM    327  CD  ARG C  26       4.686  -1.951   4.483  1.00  0.95           C
ATOM    328  NE  ARG C  26       4.551  -3.211   3.751  1.00  1.64           N
ATOM    329  CZ  ARG C  26       5.568  -3.846   3.169  1.00  2.21           C
ATOM    330  NH1 ARG C  26       6.805  -3.382   3.301  1.00  2.24           N
ATOM    331  NH2 ARG C  26       5.353  -4.966   2.490  1.00  3.18           N
ATOM      0  H   ARG C  26       1.599   0.017   6.590  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       2.128  -1.349   4.014  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       2.236  -2.425   6.864  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.494  -3.373   5.413  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       4.233  -1.082   6.391  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       4.629  -2.787   6.458  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       4.191  -1.155   3.927  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       5.740  -1.684   4.552  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       3.623  -3.628   3.682  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       6.978  -2.539   3.848  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       7.583  -3.869   2.855  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       4.408  -5.342   2.413  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       6.133  -5.450   2.045  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.073  -2.542   3.987  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.426  -3.053   3.900  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.595  -4.217   4.872  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.738  -5.097   4.953  1.00  0.30           O
ATOM    349  CB  CYS C  27      -1.764  -3.489   2.465  1.00  0.29           C
ATOM    350  SG  CYS C  27      -3.542  -3.494   2.128  1.00  0.37           S
ATOM      0  H   CYS C  27       0.522  -2.770   3.190  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.119  -2.256   4.171  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -1.268  -2.820   1.762  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.364  -4.488   2.291  1.00  0.29           H   new
ATOM    355  N   THR C  28      -2.679  -4.199   5.632  1.00  0.25           N
ATOM    356  CA  THR C  28      -2.950  -5.246   6.604  1.00  0.31           C
ATOM    357  C   THR C  28      -3.642  -6.439   5.955  1.00  0.33           C
ATOM    358  O   THR C  28      -3.701  -7.525   6.529  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.826  -4.715   7.753  1.00  0.39           C
ATOM    360  OG1 THR C  28      -4.985  -4.062   7.216  1.00  0.75           O
ATOM    361  CG2 THR C  28      -3.046  -3.744   8.627  1.00  0.72           C
ATOM      0  H   THR C  28      -3.388  -3.467   5.594  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -1.989  -5.570   7.003  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -4.135  -5.559   8.369  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -5.549  -4.720   6.759  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.687  -3.383   9.431  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -2.181  -4.252   9.053  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.711  -2.900   8.024  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.168  -6.233   4.753  1.00  0.31           N
ATOM    370  CA  HIS C  29      -4.892  -7.288   4.052  1.00  0.36           C
ATOM    371  C   HIS C  29      -4.027  -7.942   2.981  1.00  0.34           C
ATOM    372  O   HIS C  29      -4.303  -9.059   2.546  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.172  -6.738   3.417  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.255  -6.403   4.399  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -7.274  -5.541   5.443  1.00  0.91           N   flip
ATOM    376  CD2 HIS C  29      -8.512  -6.962   4.349  1.00  1.16           C   flip
ATOM    377  CE1 HIS C  29      -8.529  -5.595   5.994  1.00  1.23           C   flip
ATOM    378  NE2 HIS C  29      -9.256  -6.459   5.315  1.00  1.43           N   flip
ATOM      0  H   HIS C  29      -4.108  -5.350   4.245  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -5.156  -8.045   4.790  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -5.925  -5.842   2.847  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.555  -7.471   2.707  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -8.839  -7.699   3.630  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29      -8.866  -5.023   6.846  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29     -10.229  -6.698   5.504  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -2.987  -7.242   2.548  1.00  0.29           N
ATOM    388  CA  CYS C  30      -2.087  -7.776   1.539  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.697  -7.186   1.734  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.418  -6.583   2.767  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.611  -7.472   0.129  1.00  0.42           C
ATOM    392  SG  CYS C  30      -2.241  -5.809  -0.468  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.748  -6.307   2.879  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.033  -8.859   1.649  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.186  -8.196  -0.566  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -3.691  -7.616   0.118  1.00  0.42           H   new
ATOM    397  N   ALA C  31       0.162  -7.354   0.746  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.509  -6.824   0.809  1.00  0.37           C
ATOM    399  C   ALA C  31       1.635  -5.591  -0.074  1.00  0.36           C
ATOM    400  O   ALA C  31       1.502  -5.675  -1.297  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.517  -7.884   0.395  1.00  0.47           C
ATOM      0  H   ALA C  31      -0.052  -7.857  -0.115  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.720  -6.534   1.838  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.524  -7.469   0.448  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.441  -8.740   1.066  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.310  -8.204  -0.626  1.00  0.47           H   new
ATOM    407  N   ALA C  32       1.880  -4.450   0.552  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.032  -3.194  -0.165  1.00  0.35           C
ATOM    409  C   ALA C  32       2.707  -2.154   0.714  1.00  0.33           C
ATOM    410  O   ALA C  32       2.294  -1.930   1.852  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.680  -2.678  -0.641  1.00  0.37           C
ATOM      0  H   ALA C  32       1.978  -4.369   1.564  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       2.661  -3.377  -1.036  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       0.817  -1.738  -1.175  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.225  -3.411  -1.307  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.029  -2.516   0.218  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.756  -1.548   0.187  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.436  -0.455   0.858  1.00  0.38           C
ATOM    419  C   ALA C  33       4.001   0.863   0.237  1.00  0.37           C
ATOM    420  O   ALA C  33       4.313   1.148  -0.919  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.943  -0.633   0.756  1.00  0.45           C
ATOM      0  H   ALA C  33       4.159  -1.799  -0.716  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       4.170  -0.451   1.915  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.442   0.193   1.263  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       6.231  -1.574   1.225  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.238  -0.646  -0.293  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.273   1.660   0.999  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.709   2.898   0.488  1.00  0.36           C
ATOM    429  C   PHE C  34       2.533   3.898   1.620  1.00  0.32           C
ATOM    430  O   PHE C  34       2.948   3.646   2.740  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.358   2.616  -0.184  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.311   2.051   0.743  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.306   0.702   1.065  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.659   2.870   1.297  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.648   0.183   1.917  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.614   2.355   2.151  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.628   1.012   2.442  1.00  0.61           C
ATOM      0  H   PHE C  34       3.058   1.471   1.978  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.390   3.322  -0.250  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       0.981   3.542  -0.618  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.513   1.918  -1.007  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       1.057   0.050   0.644  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.668   3.923   1.058  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -0.631  -0.866   2.174  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.352   3.009   2.591  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.400   0.603   3.078  1.00  0.61           H   new
ATOM    447  N   HIS C  35       1.935   5.038   1.324  1.00  0.32           N
ATOM    448  CA  HIS C  35       1.611   6.014   2.353  1.00  0.32           C
ATOM    449  C   HIS C  35       0.156   6.412   2.198  1.00  0.33           C
ATOM    450  O   HIS C  35      -0.437   6.178   1.141  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.493   7.270   2.273  1.00  0.33           C
ATOM    452  CG  HIS C  35       3.963   7.005   2.172  1.00  0.32           C
ATOM    453  ND1 HIS C  35       4.684   7.396   1.076  1.00  0.42           N
ATOM    454  CD2 HIS C  35       4.803   6.425   3.064  1.00  0.42           C
ATOM    455  CE1 HIS C  35       5.937   7.053   1.309  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.063   6.458   2.509  1.00  0.42           N
ATOM      0  H   HIS C  35       1.663   5.312   0.380  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       1.795   5.553   3.324  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.185   7.858   1.408  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.309   7.882   3.156  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.535   6.015   4.027  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       6.755   7.227   0.625  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       6.923   6.101   2.926  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.425   6.979   3.235  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.820   7.389   3.186  1.00  0.34           C
ATOM    466  C   TRP C  36      -2.068   8.385   2.046  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.915   8.148   1.188  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.238   7.998   4.528  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.721   8.138   4.675  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.431   9.296   4.796  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.676   7.075   4.713  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.772   9.016   4.909  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -5.946   7.659   4.859  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.580   5.683   4.635  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -7.109   6.898   4.929  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.735   4.930   4.706  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -6.986   5.538   4.851  1.00  0.68           C
ATOM      0  H   TRP C  36       0.043   7.168   4.122  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -2.427   6.504   2.993  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -1.856   7.375   5.337  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.774   8.979   4.635  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -4.003  10.287   4.802  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.516   9.706   5.013  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.619   5.204   4.521  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -8.076   7.366   5.041  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.671   3.853   4.649  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -7.872   4.922   4.902  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.281   9.463   2.017  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.495  10.571   1.072  1.00  0.44           C
ATOM    490  C   ARG C  37      -1.500  10.119  -0.390  1.00  0.41           C
ATOM    491  O   ARG C  37      -2.353  10.538  -1.174  1.00  0.51           O
ATOM    492  CB  ARG C  37      -0.414  11.638   1.234  1.00  0.61           C
ATOM    493  CG  ARG C  37      -0.370  12.296   2.600  1.00  0.70           C
ATOM    494  CD  ARG C  37       0.650  13.424   2.612  1.00  1.05           C
ATOM    495  NE  ARG C  37       0.753  14.080   3.914  1.00  1.72           N
ATOM    496  CZ  ARG C  37       1.768  14.872   4.263  1.00  2.32           C
ATOM    497  NH1 ARG C  37       2.744  15.126   3.398  1.00  2.37           N
ATOM    498  NH2 ARG C  37       1.801  15.419   5.473  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.484   9.596   2.640  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.478  10.976   1.312  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.557  11.185   1.033  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37      -0.568  12.409   0.479  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -1.356  12.686   2.855  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.113  11.557   3.359  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       1.626  13.028   2.331  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37       0.377  14.163   1.859  1.00  1.05           H   new
ATOM      0  HE  ARG C  37       0.008  13.924   4.593  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       2.718  14.715   2.465  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       3.519  15.732   3.667  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37       1.049  15.234   6.137  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       2.578  16.024   5.738  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.541   9.281  -0.755  1.00  0.37           N
ATOM    513  CA  CYS C  38      -0.352   8.876  -2.145  1.00  0.36           C
ATOM    514  C   CYS C  38      -1.521   8.038  -2.666  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.726   7.934  -3.874  1.00  0.42           O
ATOM    516  CB  CYS C  38       0.962   8.109  -2.273  1.00  0.34           C
ATOM    517  SG  CYS C  38       1.610   7.557  -0.684  1.00  0.54           S
ATOM      0  H   CYS C  38       0.124   8.864  -0.104  1.00  0.37           H   new
ATOM      0  HA  CYS C  38      -0.314   9.776  -2.759  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       0.810   7.244  -2.918  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.702   8.744  -2.760  1.00  0.34           H   new
ATOM    522  N   HIS C  39      -2.277   7.429  -1.763  1.00  0.35           N
ATOM    523  CA  HIS C  39      -3.414   6.608  -2.165  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.741   7.272  -1.816  1.00  0.46           C
ATOM    525  O   HIS C  39      -5.713   7.158  -2.560  1.00  0.61           O
ATOM    526  CB  HIS C  39      -3.347   5.224  -1.515  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.379   4.287  -2.169  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -1.031   4.211  -2.094  1.00  0.55           N   flip
ATOM    529  CD2 HIS C  39      -2.775   3.248  -2.982  1.00  0.53           C   flip
ATOM    530  CE1 HIS C  39      -0.643   3.132  -2.849  1.00  0.59           C   flip
ATOM    531  NE2 HIS C  39      -1.711   2.567  -3.372  1.00  0.56           N   flip
ATOM      0  H   HIS C  39      -2.127   7.486  -0.756  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -3.359   6.498  -3.248  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -3.072   5.340  -0.467  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -4.340   4.776  -1.536  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -3.795   3.025  -3.258  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39       0.375   2.800  -2.991  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39      -1.717   1.744  -3.975  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.786   7.955  -0.685  1.00  0.41           N
ATOM    541  CA  PHE C  40      -6.026   8.537  -0.199  1.00  0.49           C
ATOM    542  C   PHE C  40      -5.856  10.024   0.080  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.828  10.453   0.603  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.478   7.819   1.076  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.697   6.344   0.890  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -7.904   5.866   0.406  1.00  0.71           C
ATOM    547  CD2 PHE C  40      -5.694   5.439   1.190  1.00  0.55           C
ATOM    548  CE1 PHE C  40      -8.106   4.510   0.230  1.00  0.80           C
ATOM    549  CE2 PHE C  40      -5.890   4.083   1.014  1.00  0.66           C
ATOM    550  CZ  PHE C  40      -7.097   3.619   0.533  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.978   8.120  -0.085  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -6.785   8.415  -0.972  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.730   7.972   1.854  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.403   8.273   1.430  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -8.695   6.560   0.164  1.00  0.71           H   new
ATOM      0  HD2 PHE C  40      -4.747   5.797   1.566  1.00  0.55           H   new
ATOM      0  HE1 PHE C  40      -9.052   4.148  -0.144  1.00  0.80           H   new
ATOM      0  HE2 PHE C  40      -5.099   3.387   1.253  1.00  0.66           H   new
ATOM      0  HZ  PHE C  40      -7.252   2.559   0.394  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -6.864  10.830  -0.286  1.00  0.89           N
ATOM    561  CA  PRO C  41      -6.862  12.267  -0.016  1.00  1.04           C
ATOM    562  C   PRO C  41      -6.930  12.558   1.478  1.00  1.30           C
ATOM    563  O   PRO C  41      -7.413  11.742   2.267  1.00  1.93           O
ATOM    564  CB  PRO C  41      -8.128  12.767  -0.718  1.00  1.81           C
ATOM    565  CG  PRO C  41      -9.005  11.570  -0.834  1.00  2.12           C
ATOM    566  CD  PRO C  41      -8.078  10.402  -0.999  1.00  1.43           C
ATOM      0  HA  PRO C  41      -5.952  12.752  -0.368  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -8.612  13.556  -0.143  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -7.897  13.183  -1.699  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -9.628  11.453   0.053  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -9.678  11.659  -1.687  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -8.497   9.492  -0.569  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -7.875  10.195  -2.050  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -6.457  13.743   1.843  1.00  1.64           N
ATOM    575  CA  ALA C  42      -6.315  14.145   3.242  1.00  2.34           C
ATOM    576  C   ALA C  42      -7.652  14.205   3.973  1.00  1.92           C
ATOM    577  O   ALA C  42      -7.691  14.253   5.202  1.00  2.41           O
ATOM    578  CB  ALA C  42      -5.610  15.490   3.328  1.00  3.30           C
ATOM      0  H   ALA C  42      -6.159  14.456   1.177  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -5.715  13.382   3.737  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -5.509  15.781   4.373  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -4.621  15.412   2.875  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -6.194  16.242   2.797  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -8.744  14.207   3.218  1.00  1.37           N
ATOM    585  CA  GLY C  43     -10.065  14.192   3.817  1.00  1.46           C
ATOM    586  C   GLY C  43     -10.413  12.831   4.390  1.00  1.21           C
ATOM    587  O   GLY C  43     -11.340  12.699   5.189  1.00  1.41           O
ATOM      0  H   GLY C  43      -8.738  14.219   2.198  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43     -10.113  14.941   4.607  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43     -10.806  14.470   3.068  1.00  1.46           H   new
ATOM    591  N   THR C  44      -9.657  11.820   3.989  1.00  0.90           N
ATOM    592  CA  THR C  44      -9.863  10.467   4.474  1.00  0.76           C
ATOM    593  C   THR C  44      -9.126  10.274   5.796  1.00  0.65           C
ATOM    594  O   THR C  44      -7.977  10.696   5.934  1.00  0.73           O
ATOM    595  CB  THR C  44      -9.341   9.439   3.453  1.00  0.83           C
ATOM    596  OG1 THR C  44      -9.525   9.942   2.123  1.00  1.03           O
ATOM    597  CG2 THR C  44     -10.069   8.110   3.597  1.00  0.99           C
ATOM      0  H   THR C  44      -8.890  11.914   3.324  1.00  0.90           H   new
ATOM      0  HA  THR C  44     -10.932  10.314   4.619  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -8.280   9.276   3.644  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -8.806  10.573   1.910  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.682   7.402   2.865  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.912   7.716   4.601  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -11.136   8.259   3.429  1.00  0.99           H   new
ATOM    605  N   SER C  45      -9.775   9.642   6.758  1.00  0.67           N
ATOM    606  CA  SER C  45      -9.176   9.437   8.066  1.00  0.69           C
ATOM    607  C   SER C  45      -8.377   8.141   8.091  1.00  0.61           C
ATOM    608  O   SER C  45      -8.892   7.076   7.745  1.00  0.66           O
ATOM    609  CB  SER C  45     -10.267   9.420   9.137  1.00  0.91           C
ATOM    610  OG  SER C  45     -11.387   8.665   8.704  1.00  1.60           O
ATOM      0  H   SER C  45     -10.716   9.262   6.659  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -8.491  10.259   8.275  1.00  0.69           H   new
ATOM      0  HB2 SER C  45      -9.871   8.995  10.059  1.00  0.91           H   new
ATOM      0  HB3 SER C  45     -10.576  10.440   9.364  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -11.079   7.842   8.271  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -7.116   8.241   8.490  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.216   7.099   8.486  1.00  0.70           C
ATOM    618  C   ARG C  46      -6.467   6.198   9.692  1.00  0.82           C
ATOM    619  O   ARG C  46      -6.394   6.648  10.837  1.00  0.97           O
ATOM    620  CB  ARG C  46      -4.759   7.572   8.489  1.00  0.86           C
ATOM    621  CG  ARG C  46      -3.748   6.438   8.415  1.00  1.10           C
ATOM    622  CD  ARG C  46      -2.319   6.944   8.537  1.00  1.09           C
ATOM    623  NE  ARG C  46      -2.040   7.500   9.862  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -0.835   7.489  10.436  1.00  1.76           C
ATOM    625  NH1 ARG C  46       0.208   6.964   9.804  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -0.670   8.011  11.644  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.693   9.108   8.822  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.407   6.525   7.580  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.602   8.242   7.644  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.576   8.151   9.394  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -3.948   5.720   9.211  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -3.866   5.907   7.470  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -1.627   6.126   8.335  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -2.140   7.707   7.780  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -2.813   7.921  10.378  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46       0.092   6.565   8.872  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46       1.125   6.960  10.250  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -1.464   8.421  12.135  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46       0.251   8.002  12.082  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -6.776   4.918   9.446  1.00  0.82           N
ATOM    641  CA  PRO C  47      -6.949   3.933  10.514  1.00  1.01           C
ATOM    642  C   PRO C  47      -5.632   3.649  11.234  1.00  1.13           C
ATOM    643  O   PRO C  47      -4.570   3.596  10.609  1.00  1.14           O
ATOM    644  CB  PRO C  47      -7.442   2.683   9.777  1.00  1.02           C
ATOM    645  CG  PRO C  47      -6.983   2.857   8.370  1.00  0.83           C
ATOM    646  CD  PRO C  47      -6.987   4.335   8.111  1.00  0.70           C
ATOM      0  HA  PRO C  47      -7.637   4.276  11.287  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -7.028   1.776  10.218  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -8.527   2.596   9.830  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -5.986   2.440   8.231  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -7.645   2.338   7.677  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.197   4.623   7.418  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -7.930   4.663   7.674  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -5.706   3.478  12.546  1.00  1.31           N
ATOM    655  CA  GLY C  48      -4.510   3.265  13.336  1.00  1.49           C
ATOM    656  C   GLY C  48      -4.005   1.839  13.258  1.00  1.61           C
ATOM    657  O   GLY C  48      -2.809   1.589  13.400  1.00  1.90           O
ATOM      0  H   GLY C  48      -6.576   3.483  13.079  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -3.728   3.942  12.994  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -4.717   3.517  14.376  1.00  1.49           H   new
ATOM    661  N   THR C  49      -4.916   0.907  13.032  1.00  1.53           N
ATOM    662  CA  THR C  49      -4.578  -0.505  12.959  1.00  1.70           C
ATOM    663  C   THR C  49      -5.379  -1.199  11.862  1.00  1.25           C
ATOM    664  O   THR C  49      -6.161  -2.115  12.127  1.00  1.89           O
ATOM    665  CB  THR C  49      -4.839  -1.207  14.307  1.00  2.25           C
ATOM    666  OG1 THR C  49      -6.128  -0.832  14.815  1.00  2.72           O
ATOM    667  CG2 THR C  49      -3.764  -0.856  15.322  1.00  2.75           C
ATOM      0  H   THR C  49      -5.907   1.106  12.894  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -3.516  -0.575  12.724  1.00  1.70           H   new
ATOM      0  HB  THR C  49      -4.815  -2.284  14.139  1.00  2.25           H   new
ATOM      0  HG1 THR C  49      -6.822  -1.100  14.177  1.00  2.72           H   new
ATOM      0 HG21 THR C  49      -3.973  -1.364  16.263  1.00  2.75           H   new
ATOM      0 HG22 THR C  49      -2.791  -1.173  14.946  1.00  2.75           H   new
ATOM      0 HG23 THR C  49      -3.756   0.222  15.486  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -5.190  -0.757  10.630  1.00  0.82           N
ATOM    676  CA  GLY C  50      -5.934  -1.321   9.525  1.00  0.74           C
ATOM    677  C   GLY C  50      -5.660  -0.606   8.224  1.00  0.57           C
ATOM    678  O   GLY C  50      -6.587  -0.268   7.490  1.00  0.60           O
ATOM      0  H   GLY C  50      -4.535  -0.018  10.375  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -5.678  -2.375   9.418  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -7.000  -1.273   9.746  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -4.387  -0.364   7.946  1.00  0.50           N
ATOM    683  CA  LEU C  51      -3.991   0.287   6.707  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.312  -0.599   5.512  1.00  0.32           C
ATOM    685  O   LEU C  51      -3.883  -1.750   5.436  1.00  0.33           O
ATOM    686  CB  LEU C  51      -2.500   0.631   6.728  1.00  0.50           C
ATOM    687  CG  LEU C  51      -2.174   2.120   6.857  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.684   2.883   5.646  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -2.763   2.695   8.135  1.00  0.86           C
ATOM      0  H   LEU C  51      -3.612  -0.609   8.562  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -4.557   1.214   6.615  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -2.033   0.101   7.558  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.044   0.254   5.812  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -1.090   2.228   6.904  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.444   3.941   5.755  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -2.210   2.494   4.745  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.765   2.763   5.569  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -2.518   3.755   8.204  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -3.846   2.573   8.123  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -2.348   2.170   8.995  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.081  -0.058   4.587  1.00  0.32           N
ATOM    702  CA  ARG C  52      -5.524  -0.810   3.431  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.155  -0.079   2.155  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.358   1.129   2.043  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.038  -1.012   3.488  1.00  0.48           C
ATOM    706  CG  ARG C  52      -7.511  -1.753   4.726  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.022  -1.700   4.857  1.00  0.79           C
ATOM    708  NE  ARG C  52      -9.515  -0.326   4.938  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -10.801   0.000   5.042  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -11.731  -0.947   5.068  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -11.157   1.274   5.115  1.00  2.65           N
ATOM      0  H   ARG C  52      -5.413   0.906   4.615  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.031  -1.782   3.438  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -7.527  -0.038   3.450  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.355  -1.563   2.603  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.184  -2.792   4.678  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -7.051  -1.315   5.612  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.478  -2.199   4.002  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52      -9.329  -2.249   5.748  1.00  0.79           H   new
ATOM      0  HE  ARG C  52      -8.831   0.430   4.913  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -11.461  -1.929   5.008  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -12.716  -0.693   5.148  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -10.446   2.004   5.091  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -12.143   1.524   5.195  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -4.593  -0.811   1.206  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.290  -0.257  -0.101  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.584  -0.075  -0.890  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.651  -0.444  -0.404  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.334  -1.174  -0.860  1.00  0.47           C
ATOM    730  SG  CYS C  53      -4.118  -2.673  -1.489  1.00  0.49           S
ATOM      0  H   CYS C  53      -4.338  -1.792   1.318  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -3.807   0.712   0.027  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -2.901  -0.623  -1.695  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -2.512  -1.453  -0.201  1.00  0.47           H   new
ATOM    735  N   ARG C  54      -5.493   0.442  -2.109  1.00  0.58           N
ATOM    736  CA  ARG C  54      -6.687   0.806  -2.875  1.00  0.68           C
ATOM    737  C   ARG C  54      -7.624  -0.390  -3.092  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.845  -0.245  -3.038  1.00  0.68           O
ATOM    739  CB  ARG C  54      -6.288   1.452  -4.212  1.00  0.87           C
ATOM    740  CG  ARG C  54      -5.485   0.556  -5.148  1.00  1.28           C
ATOM    741  CD  ARG C  54      -6.378  -0.147  -6.162  1.00  1.82           C
ATOM    742  NE  ARG C  54      -7.103   0.803  -7.003  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -7.961   0.450  -7.959  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -8.212  -0.834  -8.192  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -8.566   1.385  -8.682  1.00  4.09           N
ATOM      0  H   ARG C  54      -4.611   0.620  -2.590  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -7.245   1.536  -2.289  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -7.193   1.772  -4.728  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -5.705   2.350  -4.005  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -4.740   1.154  -5.673  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -4.943  -0.188  -4.563  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -5.770  -0.798  -6.791  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -7.090  -0.784  -5.638  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -6.942   1.798  -6.848  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -7.747  -1.553  -7.638  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -8.870  -1.100  -8.925  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -8.373   2.371  -8.505  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -9.223   1.117  -9.415  1.00  4.09           H   new
ATOM    759  N   SER C  55      -7.056  -1.566  -3.323  1.00  0.62           N
ATOM    760  CA  SER C  55      -7.856  -2.760  -3.555  1.00  0.65           C
ATOM    761  C   SER C  55      -8.561  -3.219  -2.276  1.00  0.60           C
ATOM    762  O   SER C  55      -9.774  -3.431  -2.265  1.00  0.68           O
ATOM    763  CB  SER C  55      -6.971  -3.878  -4.108  1.00  0.72           C
ATOM    764  OG  SER C  55      -6.281  -3.448  -5.272  1.00  1.54           O
ATOM      0  H   SER C  55      -6.048  -1.718  -3.355  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -8.627  -2.517  -4.286  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -6.253  -4.189  -3.349  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -7.583  -4.749  -4.344  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -5.720  -4.178  -5.608  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -7.793  -3.365  -1.201  1.00  0.52           N
ATOM    771  CA  CYS C  56      -8.315  -3.903   0.055  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.214  -2.908   0.799  1.00  0.61           C
ATOM    773  O   CYS C  56      -9.973  -3.303   1.685  1.00  0.72           O
ATOM    774  CB  CYS C  56      -7.165  -4.325   0.970  1.00  0.50           C
ATOM    775  SG  CYS C  56      -5.981  -5.464   0.214  1.00  0.65           S
ATOM      0  H   CYS C  56      -6.804  -3.118  -1.172  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -8.925  -4.767  -0.207  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -6.632  -3.432   1.297  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -7.581  -4.793   1.862  1.00  0.50           H   new
ATOM    780  N   SER C  57      -9.123  -1.628   0.456  1.00  0.62           N
ATOM    781  CA  SER C  57      -9.858  -0.597   1.182  1.00  0.74           C
ATOM    782  C   SER C  57     -11.333  -0.592   0.801  1.00  0.89           C
ATOM    783  O   SER C  57     -12.165   0.004   1.490  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.247   0.776   0.911  1.00  0.78           C
ATOM    785  OG  SER C  57      -9.222   1.057  -0.478  1.00  1.25           O
ATOM      0  H   SER C  57      -8.552  -1.280  -0.314  1.00  0.62           H   new
ATOM      0  HA  SER C  57      -9.784  -0.822   2.246  1.00  0.74           H   new
ATOM      0  HB2 SER C  57      -9.822   1.543   1.430  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -8.234   0.812   1.311  1.00  0.78           H   new
ATOM      0  HG  SER C  57      -8.790   1.923  -0.629  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.658  -1.268  -0.286  1.00  0.86           N
ATOM    792  CA  GLY C  58     -13.023  -1.295  -0.742  1.00  1.06           C
ATOM    793  C   GLY C  58     -13.383  -2.598  -1.407  1.00  1.50           C
ATOM    794  O   GLY C  58     -12.616  -3.562  -1.368  1.00  2.19           O
ATOM      0  H   GLY C  58     -11.000  -1.797  -0.859  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -13.689  -1.127   0.104  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -13.185  -0.476  -1.443  1.00  1.06           H   new
ATOM    798  N   ASP C  59     -14.548  -2.625  -2.024  1.00  2.14           N
ATOM    799  CA  ASP C  59     -15.022  -3.800  -2.739  1.00  3.08           C
ATOM    800  C   ASP C  59     -14.569  -3.739  -4.194  1.00  3.78           C
ATOM    801  O   ASP C  59     -15.325  -4.052  -5.113  1.00  4.32           O
ATOM    802  CB  ASP C  59     -16.552  -3.890  -2.648  1.00  3.95           C
ATOM    803  CG  ASP C  59     -17.256  -2.695  -3.269  1.00  4.66           C
ATOM    804  OD1 ASP C  59     -17.054  -1.558  -2.785  1.00  5.12           O
ATOM    805  OD2 ASP C  59     -18.018  -2.884  -4.240  1.00  5.15           O
ATOM      0  H   ASP C  59     -15.194  -1.836  -2.046  1.00  2.14           H   new
ATOM      0  HA  ASP C  59     -14.598  -4.694  -2.282  1.00  3.08           H   new
ATOM      0  HB2 ASP C  59     -16.887  -4.800  -3.145  1.00  3.95           H   new
ATOM      0  HB3 ASP C  59     -16.844  -3.973  -1.601  1.00  3.95           H   new
ATOM    810  N   VAL C  60     -13.315  -3.360  -4.392  1.00  4.28           N
ATOM    811  CA  VAL C  60     -12.780  -3.164  -5.728  1.00  5.35           C
ATOM    812  C   VAL C  60     -12.198  -4.463  -6.271  1.00  6.12           C
ATOM    813  O   VAL C  60     -11.041  -4.798  -6.014  1.00  6.50           O
ATOM    814  CB  VAL C  60     -11.682  -2.077  -5.745  1.00  5.93           C
ATOM    815  CG1 VAL C  60     -11.283  -1.737  -7.172  1.00  6.76           C
ATOM    816  CG2 VAL C  60     -12.140  -0.829  -5.003  1.00  6.03           C
ATOM      0  H   VAL C  60     -12.648  -3.182  -3.641  1.00  4.28           H   new
ATOM      0  HA  VAL C  60     -13.607  -2.839  -6.359  1.00  5.35           H   new
ATOM      0  HB  VAL C  60     -10.807  -2.474  -5.231  1.00  5.93           H   new
ATOM      0 HG11 VAL C  60     -10.509  -0.970  -7.160  1.00  6.76           H   new
ATOM      0 HG12 VAL C  60     -10.901  -2.631  -7.666  1.00  6.76           H   new
ATOM      0 HG13 VAL C  60     -12.153  -1.367  -7.715  1.00  6.76           H   new
ATOM      0 HG21 VAL C  60     -11.349  -0.079  -5.029  1.00  6.03           H   new
ATOM      0 HG22 VAL C  60     -13.035  -0.430  -5.480  1.00  6.03           H   new
ATOM      0 HG23 VAL C  60     -12.364  -1.083  -3.967  1.00  6.03           H   new
ATOM    826  N   THR C  61     -13.017  -5.203  -6.999  1.00  6.63           N
ATOM    827  CA  THR C  61     -12.579  -6.430  -7.635  1.00  7.54           C
ATOM    828  C   THR C  61     -12.764  -6.337  -9.148  1.00  8.48           C
ATOM    829  O   THR C  61     -13.891  -6.365  -9.648  1.00  8.83           O
ATOM    830  CB  THR C  61     -13.343  -7.652  -7.080  1.00  7.91           C
ATOM    831  OG1 THR C  61     -14.746  -7.360  -6.981  1.00  7.75           O
ATOM    832  CG2 THR C  61     -12.807  -8.053  -5.714  1.00  8.22           C
ATOM      0  H   THR C  61     -13.997  -4.971  -7.164  1.00  6.63           H   new
ATOM      0  HA  THR C  61     -11.520  -6.564  -7.413  1.00  7.54           H   new
ATOM      0  HB  THR C  61     -13.196  -8.483  -7.770  1.00  7.91           H   new
ATOM      0  HG1 THR C  61     -15.047  -6.917  -7.802  1.00  7.75           H   new
ATOM      0 HG21 THR C  61     -13.361  -8.916  -5.345  1.00  8.22           H   new
ATOM      0 HG22 THR C  61     -11.751  -8.309  -5.798  1.00  8.22           H   new
ATOM      0 HG23 THR C  61     -12.924  -7.222  -5.019  1.00  8.22           H   new
ATOM    840  N   PRO C  62     -11.657  -6.201  -9.899  1.00  9.10           N
ATOM    841  CA  PRO C  62     -11.701  -6.033 -11.356  1.00 10.15           C
ATOM    842  C   PRO C  62     -12.355  -7.216 -12.064  1.00 10.94           C
ATOM    843  O   PRO C  62     -12.264  -8.358 -11.611  1.00 11.04           O
ATOM    844  CB  PRO C  62     -10.227  -5.912 -11.760  1.00 10.68           C
ATOM    845  CG  PRO C  62      -9.461  -6.490 -10.620  1.00 10.16           C
ATOM    846  CD  PRO C  62     -10.276  -6.208  -9.391  1.00  9.07           C
ATOM      0  HA  PRO C  62     -12.301  -5.168 -11.639  1.00 10.15           H   new
ATOM      0  HB2 PRO C  62     -10.026  -6.454 -12.684  1.00 10.68           H   new
ATOM      0  HB3 PRO C  62      -9.950  -4.872 -11.933  1.00 10.68           H   new
ATOM      0  HG2 PRO C  62      -9.313  -7.562 -10.753  1.00 10.16           H   new
ATOM      0  HG3 PRO C  62      -8.472  -6.038 -10.545  1.00 10.16           H   new
ATOM      0  HD2 PRO C  62     -10.131  -6.972  -8.628  1.00  9.07           H   new
ATOM      0  HD3 PRO C  62     -10.008  -5.253  -8.940  1.00  9.07           H   new
ATOM    854  N   ALA C  63     -13.020  -6.932 -13.171  1.00 11.65           N
ATOM    855  CA  ALA C  63     -13.696  -7.960 -13.941  1.00 12.54           C
ATOM    856  C   ALA C  63     -12.846  -8.383 -15.131  1.00 13.45           C
ATOM    857  O   ALA C  63     -12.393  -7.541 -15.909  1.00 13.86           O
ATOM    858  CB  ALA C  63     -15.051  -7.460 -14.413  1.00 13.10           C
ATOM      0  H   ALA C  63     -13.106  -5.992 -13.558  1.00 11.65           H   new
ATOM      0  HA  ALA C  63     -13.847  -8.828 -13.299  1.00 12.54           H   new
ATOM      0  HB1 ALA C  63     -15.547  -8.241 -14.989  1.00 13.10           H   new
ATOM      0  HB2 ALA C  63     -15.664  -7.201 -13.550  1.00 13.10           H   new
ATOM      0  HB3 ALA C  63     -14.915  -6.578 -15.039  1.00 13.10           H   new
ATOM    864  N   PRO C  64     -12.605  -9.691 -15.282  1.00 13.89           N
ATOM    865  CA  PRO C  64     -11.823 -10.220 -16.395  1.00 14.85           C
ATOM    866  C   PRO C  64     -12.600 -10.174 -17.707  1.00 15.87           C
ATOM    867  O   PRO C  64     -13.783 -10.515 -17.753  1.00 16.55           O
ATOM    868  CB  PRO C  64     -11.548 -11.665 -15.980  1.00 15.07           C
ATOM    869  CG  PRO C  64     -12.685 -12.026 -15.090  1.00 14.50           C
ATOM    870  CD  PRO C  64     -13.080 -10.759 -14.381  1.00 13.64           C
ATOM      0  HA  PRO C  64     -10.917  -9.641 -16.577  1.00 14.85           H   new
ATOM      0  HB2 PRO C  64     -11.500 -12.324 -16.847  1.00 15.07           H   new
ATOM      0  HB3 PRO C  64     -10.594 -11.753 -15.459  1.00 15.07           H   new
ATOM      0  HG2 PRO C  64     -13.519 -12.426 -15.666  1.00 14.50           H   new
ATOM      0  HG3 PRO C  64     -12.392 -12.796 -14.377  1.00 14.50           H   new
ATOM      0  HD2 PRO C  64     -14.158 -10.705 -14.229  1.00 13.64           H   new
ATOM      0  HD3 PRO C  64     -12.616 -10.689 -13.397  1.00 13.64           H   new
ATOM    878  N   VAL C  65     -11.937  -9.739 -18.766  1.00 16.09           N
ATOM    879  CA  VAL C  65     -12.559  -9.684 -20.078  1.00 17.13           C
ATOM    880  C   VAL C  65     -12.336 -11.006 -20.797  1.00 17.88           C
ATOM    881  O   VAL C  65     -11.331 -11.196 -21.483  1.00 18.07           O
ATOM    882  CB  VAL C  65     -12.001  -8.525 -20.927  1.00 17.14           C
ATOM    883  CG1 VAL C  65     -12.751  -8.408 -22.247  1.00 17.22           C
ATOM    884  CG2 VAL C  65     -12.073  -7.218 -20.154  1.00 16.99           C
ATOM      0  H   VAL C  65     -10.969  -9.419 -18.743  1.00 16.09           H   new
ATOM      0  HA  VAL C  65     -13.626  -9.508 -19.941  1.00 17.13           H   new
ATOM      0  HB  VAL C  65     -10.956  -8.739 -21.150  1.00 17.14           H   new
ATOM      0 HG11 VAL C  65     -12.339  -7.583 -22.828  1.00 17.22           H   new
ATOM      0 HG12 VAL C  65     -12.645  -9.336 -22.809  1.00 17.22           H   new
ATOM      0 HG13 VAL C  65     -13.807  -8.221 -22.050  1.00 17.22           H   new
ATOM      0 HG21 VAL C  65     -11.675  -6.410 -20.768  1.00 16.99           H   new
ATOM      0 HG22 VAL C  65     -13.111  -7.003 -19.899  1.00 16.99           H   new
ATOM      0 HG23 VAL C  65     -11.485  -7.303 -19.240  1.00 16.99           H   new
ATOM    894  N   GLU C  66     -13.263 -11.926 -20.603  1.00 18.42           N
ATOM    895  CA  GLU C  66     -13.149 -13.257 -21.167  1.00 19.24           C
ATOM    896  C   GLU C  66     -13.905 -13.338 -22.486  1.00 19.89           C
ATOM    897  O   GLU C  66     -13.276 -13.137 -23.544  1.00 20.26           O
ATOM    898  CB  GLU C  66     -13.687 -14.286 -20.170  1.00 19.51           C
ATOM    899  CG  GLU C  66     -13.033 -14.186 -18.800  1.00 19.47           C
ATOM    900  CD  GLU C  66     -13.688 -15.078 -17.769  1.00 19.59           C
ATOM    901  OE1 GLU C  66     -13.288 -16.258 -17.658  1.00 19.53           O
ATOM    902  OE2 GLU C  66     -14.598 -14.605 -17.054  1.00 19.84           O
ATOM    903  OXT GLU C  66     -15.127 -13.584 -22.463  1.00 20.13           O
ATOM      0  H   GLU C  66     -14.109 -11.773 -20.055  1.00 18.42           H   new
ATOM      0  HA  GLU C  66     -12.099 -13.475 -21.364  1.00 19.24           H   new
ATOM      0  HB2 GLU C  66     -14.763 -14.152 -20.063  1.00 19.51           H   new
ATOM      0  HB3 GLU C  66     -13.529 -15.288 -20.570  1.00 19.51           H   new
ATOM      0  HG2 GLU C  66     -11.979 -14.451 -18.886  1.00 19.47           H   new
ATOM      0  HG3 GLU C  66     -13.075 -13.152 -18.458  1.00 19.47           H   new
TER     910      GLU C  66
HETATM  911 ZN    ZN C 101       3.903   7.391  -0.773  1.00  0.44          ZN
HETATM  912 ZN    ZN C 102      -3.962  -4.380   0.051  1.00  0.49          ZN