USER  MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=15
USER  MOD reduce.3.24.130724 removed 282 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 Single : A   2 THR OG1 :   rot  142:sc=   0.351
USER  MOD Single : A   3 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=  -0.129
USER  MOD Single : A   8 LYS NZ  :NH3+   -123:sc=   -0.12   (180deg=-0.635)
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  13 TYR OH  :   rot  130:sc=  -0.352
USER  MOD Single : A  17 THR OG1 :   rot -130:sc=     1.2
USER  MOD Single : A  18 LYS NZ  :NH3+    169:sc=    1.21   (180deg=1.1)
USER  MOD Single : A  19 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  22 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  23 ASN     :      amide:sc=  0.0509  K(o=0.051,f=-7.2!)
USER  MOD Single : A  26 TYR OH  :   rot   90:sc=  0.0704
USER  MOD Single : A  27 THR OG1 :   rot  180:sc=  -0.154
USER  MOD Single : A  29 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  32 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  39 TYR OH  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM     10  N   THR A   2       0.306   0.103   7.585  1.00  1.13           N
ATOM     11  CA  THR A   2      -0.361  -0.496   6.441  1.00  0.62           C
ATOM     12  C   THR A   2       0.656  -1.068   5.457  1.00  0.47           C
ATOM     13  O   THR A   2       0.962  -0.464   4.430  1.00  0.51           O
ATOM     14  CB  THR A   2      -1.270   0.527   5.731  1.00  0.67           C
ATOM     15  OG1 THR A   2      -0.585   1.777   5.578  1.00  1.13           O
ATOM     16  CG2 THR A   2      -2.559   0.741   6.511  1.00  1.00           C
ATOM      0  HA  THR A   2      -0.984  -1.311   6.811  1.00  0.62           H   new
ATOM      0  HB  THR A   2      -1.520   0.131   4.747  1.00  0.67           H   new
ATOM      0  HG1 THR A   2      -0.810   2.169   4.708  1.00  1.13           H   new
ATOM      0 HG21 THR A   2      -3.183   1.467   5.990  1.00  1.00           H   new
ATOM      0 HG22 THR A   2      -3.095  -0.205   6.595  1.00  1.00           H   new
ATOM      0 HG23 THR A   2      -2.323   1.114   7.508  1.00  1.00           H   new
ATOM     24  N   THR A   3       1.199  -2.224   5.796  1.00  0.58           N
ATOM     25  CA  THR A   3       2.200  -2.875   4.969  1.00  0.55           C
ATOM     26  C   THR A   3       1.609  -4.093   4.264  1.00  0.43           C
ATOM     27  O   THR A   3       1.007  -4.958   4.904  1.00  0.53           O
ATOM     28  CB  THR A   3       3.405  -3.311   5.822  1.00  0.70           C
ATOM     29  OG1 THR A   3       3.863  -2.204   6.611  1.00  1.12           O
ATOM     30  CG2 THR A   3       4.547  -3.822   4.954  1.00  0.98           C
ATOM      0  H   THR A   3       0.961  -2.735   6.646  1.00  0.58           H   new
ATOM      0  HA  THR A   3       2.533  -2.157   4.219  1.00  0.55           H   new
ATOM      0  HB  THR A   3       3.081  -4.124   6.471  1.00  0.70           H   new
ATOM      0  HG1 THR A   3       4.629  -2.484   7.154  1.00  1.12           H   new
ATOM      0 HG21 THR A   3       5.381  -4.121   5.589  1.00  0.98           H   new
ATOM      0 HG22 THR A   3       4.207  -4.680   4.373  1.00  0.98           H   new
ATOM      0 HG23 THR A   3       4.872  -3.031   4.277  1.00  0.98           H   new
ATOM     38  N   CYS A   4       1.778  -4.159   2.953  1.00  0.39           N
ATOM     39  CA  CYS A   4       1.262  -5.274   2.179  1.00  0.45           C
ATOM     40  C   CYS A   4       2.299  -5.776   1.179  1.00  0.38           C
ATOM     41  O   CYS A   4       2.762  -5.034   0.312  1.00  0.51           O
ATOM     42  CB  CYS A   4      -0.037  -4.873   1.474  1.00  0.73           C
ATOM     43  SG  CYS A   4      -0.035  -3.172   0.820  1.00  1.01           S
ATOM      0  H   CYS A   4       2.269  -3.453   2.404  1.00  0.39           H   new
ATOM      0  HA  CYS A   4       1.043  -6.095   2.862  1.00  0.45           H   new
ATOM      0  HB2 CYS A   4      -0.221  -5.566   0.653  1.00  0.73           H   new
ATOM      0  HB3 CYS A   4      -0.866  -4.981   2.174  1.00  0.73           H   new
ATOM     48  N   TYR A   5       2.684  -7.036   1.332  1.00  0.47           N
ATOM     49  CA  TYR A   5       3.649  -7.658   0.433  1.00  0.50           C
ATOM     50  C   TYR A   5       2.982  -8.118  -0.858  1.00  0.61           C
ATOM     51  O   TYR A   5       2.094  -8.971  -0.839  1.00  0.85           O
ATOM     52  CB  TYR A   5       4.320  -8.862   1.100  1.00  0.58           C
ATOM     53  CG  TYR A   5       5.427  -8.519   2.073  1.00  0.56           C
ATOM     54  CD1 TYR A   5       5.129  -8.156   3.381  1.00  0.63           C
ATOM     55  CD2 TYR A   5       6.762  -8.540   1.686  1.00  0.59           C
ATOM     56  CE1 TYR A   5       6.128  -7.827   4.275  1.00  0.69           C
ATOM     57  CE2 TYR A   5       7.766  -8.210   2.575  1.00  0.66           C
ATOM     58  CZ  TYR A   5       7.475  -7.924   3.856  1.00  0.70           C
ATOM     59  OH  TYR A   5       8.443  -7.523   4.755  1.00  0.81           O
ATOM      0  H   TYR A   5       2.342  -7.649   2.072  1.00  0.47           H   new
ATOM      0  HA  TYR A   5       4.402  -6.905   0.200  1.00  0.50           H   new
ATOM      0  HB2 TYR A   5       3.559  -9.437   1.627  1.00  0.58           H   new
ATOM      0  HB3 TYR A   5       4.727  -9.509   0.323  1.00  0.58           H   new
ATOM      0  HD1 TYR A   5       4.099  -8.131   3.703  1.00  0.63           H   new
ATOM      0  HD2 TYR A   5       7.018  -8.819   0.674  1.00  0.59           H   new
ATOM      0  HE1 TYR A   5       5.885  -7.502   5.276  1.00  0.69           H   new
ATOM      0  HE2 TYR A   5       8.792  -8.181   2.239  1.00  0.66           H   new
ATOM      0  HH  TYR A   5       9.330  -7.637   4.354  1.00  0.81           H   new
ATOM     69  N   CYS A   6       3.414  -7.545  -1.971  1.00  0.51           N
ATOM     70  CA  CYS A   6       2.999  -8.009  -3.287  1.00  0.62           C
ATOM     71  C   CYS A   6       3.996  -9.047  -3.787  1.00  0.70           C
ATOM     72  O   CYS A   6       4.972  -8.713  -4.462  1.00  0.69           O
ATOM     73  CB  CYS A   6       2.907  -6.844  -4.279  1.00  0.61           C
ATOM     74  SG  CYS A   6       1.536  -5.687  -3.959  1.00  1.20           S
ATOM      0  H   CYS A   6       4.056  -6.753  -1.989  1.00  0.51           H   new
ATOM      0  HA  CYS A   6       2.008  -8.457  -3.207  1.00  0.62           H   new
ATOM      0  HB2 CYS A   6       3.846  -6.290  -4.258  1.00  0.61           H   new
ATOM      0  HB3 CYS A   6       2.798  -7.248  -5.285  1.00  0.61           H   new
ATOM     79  N   GLY A   7       3.756 -10.303  -3.425  1.00  0.85           N
ATOM     80  CA  GLY A   7       4.668 -11.372  -3.782  1.00  0.97           C
ATOM     81  C   GLY A   7       6.028 -11.199  -3.136  1.00  0.93           C
ATOM     82  O   GLY A   7       6.200 -11.458  -1.943  1.00  1.01           O
ATOM      0  H   GLY A   7       2.941 -10.600  -2.888  1.00  0.85           H   new
ATOM      0  HA2 GLY A   7       4.242 -12.328  -3.479  1.00  0.97           H   new
ATOM      0  HA3 GLY A   7       4.783 -11.404  -4.865  1.00  0.97           H   new
ATOM     86  N   LYS A   8       6.994 -10.744  -3.918  1.00  0.91           N
ATOM     87  CA  LYS A   8       8.336 -10.520  -3.425  1.00  0.94           C
ATOM     88  C   LYS A   8       8.579  -9.045  -3.130  1.00  0.79           C
ATOM     89  O   LYS A   8       9.488  -8.699  -2.376  1.00  0.86           O
ATOM     90  CB  LYS A   8       9.366 -11.014  -4.438  1.00  1.16           C
ATOM     91  CG  LYS A   8       9.560 -12.518  -4.433  1.00  1.65           C
ATOM     92  CD  LYS A   8      10.566 -12.943  -5.488  1.00  2.18           C
ATOM     93  CE  LYS A   8      11.191 -14.287  -5.158  1.00  3.07           C
ATOM     94  NZ  LYS A   8      11.994 -14.225  -3.906  1.00  3.65           N
ATOM      0  H   LYS A   8       6.868 -10.522  -4.905  1.00  0.91           H   new
ATOM      0  HA  LYS A   8       8.443 -11.081  -2.497  1.00  0.94           H   new
ATOM      0  HB2 LYS A   8       9.059 -10.700  -5.436  1.00  1.16           H   new
ATOM      0  HB3 LYS A   8      10.323 -10.533  -4.233  1.00  1.16           H   new
ATOM      0  HG2 LYS A   8       9.902 -12.840  -3.449  1.00  1.65           H   new
ATOM      0  HG3 LYS A   8       8.606 -13.012  -4.616  1.00  1.65           H   new
ATOM      0  HD2 LYS A   8      10.074 -12.999  -6.459  1.00  2.18           H   new
ATOM      0  HD3 LYS A   8      11.348 -12.188  -5.570  1.00  2.18           H   new
ATOM      0  HE2 LYS A   8      10.407 -15.037  -5.052  1.00  3.07           H   new
ATOM      0  HE3 LYS A   8      11.827 -14.606  -5.984  1.00  3.07           H   new
ATOM      0  HZ1 LYS A   8      12.970 -14.525  -4.104  1.00  3.65           H   new
ATOM      0  HZ2 LYS A   8      11.998 -13.250  -3.544  1.00  3.65           H   new
ATOM      0  HZ3 LYS A   8      11.576 -14.857  -3.194  1.00  3.65           H   new
ATOM    108  N   THR A   9       7.769  -8.178  -3.714  1.00  0.66           N
ATOM    109  CA  THR A   9       7.963  -6.749  -3.547  1.00  0.55           C
ATOM    110  C   THR A   9       7.053  -6.205  -2.450  1.00  0.42           C
ATOM    111  O   THR A   9       5.829  -6.283  -2.548  1.00  0.42           O
ATOM    112  CB  THR A   9       7.699  -5.988  -4.856  1.00  0.55           C
ATOM    113  OG1 THR A   9       8.311  -6.672  -5.959  1.00  0.72           O
ATOM    114  CG2 THR A   9       8.257  -4.576  -4.766  1.00  0.50           C
ATOM      0  H   THR A   9       6.977  -8.436  -4.303  1.00  0.66           H   new
ATOM      0  HA  THR A   9       9.004  -6.596  -3.261  1.00  0.55           H   new
ATOM      0  HB  THR A   9       6.622  -5.940  -5.015  1.00  0.55           H   new
ATOM      0  HG1 THR A   9       8.135  -6.179  -6.788  1.00  0.72           H   new
ATOM      0 HG21 THR A   9       8.063  -4.048  -5.700  1.00  0.50           H   new
ATOM      0 HG22 THR A   9       7.776  -4.047  -3.943  1.00  0.50           H   new
ATOM      0 HG23 THR A   9       9.332  -4.620  -4.590  1.00  0.50           H   new
ATOM    122  N   ILE A  10       7.655  -5.662  -1.403  1.00  0.39           N
ATOM    123  CA  ILE A  10       6.897  -5.106  -0.291  1.00  0.32           C
ATOM    124  C   ILE A  10       6.378  -3.704  -0.631  1.00  0.24           C
ATOM    125  O   ILE A  10       7.126  -2.851  -1.123  1.00  0.31           O
ATOM    126  CB  ILE A  10       7.750  -5.074   1.001  1.00  0.46           C
ATOM    127  CG1 ILE A  10       7.000  -4.369   2.138  1.00  0.64           C
ATOM    128  CG2 ILE A  10       9.097  -4.411   0.744  1.00  0.56           C
ATOM    129  CD1 ILE A  10       7.774  -4.322   3.442  1.00  1.06           C
ATOM      0  H   ILE A  10       8.667  -5.594  -1.299  1.00  0.39           H   new
ATOM      0  HA  ILE A  10       6.039  -5.754  -0.114  1.00  0.32           H   new
ATOM      0  HB  ILE A  10       7.933  -6.103   1.309  1.00  0.46           H   new
ATOM      0 HG12 ILE A  10       6.764  -3.351   1.829  1.00  0.64           H   new
ATOM      0 HG13 ILE A  10       6.052  -4.879   2.307  1.00  0.64           H   new
ATOM      0 HG21 ILE A  10       9.679  -4.400   1.666  1.00  0.56           H   new
ATOM      0 HG22 ILE A  10       9.638  -4.970  -0.020  1.00  0.56           H   new
ATOM      0 HG23 ILE A  10       8.940  -3.388   0.402  1.00  0.56           H   new
ATOM      0 HD11 ILE A  10       7.181  -3.809   4.199  1.00  1.06           H   new
ATOM      0 HD12 ILE A  10       7.987  -5.338   3.775  1.00  1.06           H   new
ATOM      0 HD13 ILE A  10       8.711  -3.786   3.290  1.00  1.06           H   new
ATOM    141  N   GLY A  11       5.093  -3.480  -0.388  1.00  0.22           N
ATOM    142  CA  GLY A  11       4.494  -2.200  -0.698  1.00  0.32           C
ATOM    143  C   GLY A  11       3.742  -1.609   0.477  1.00  0.28           C
ATOM    144  O   GLY A  11       3.586  -2.257   1.518  1.00  0.36           O
ATOM      0  H   GLY A  11       4.455  -4.164   0.019  1.00  0.22           H   new
ATOM      0  HA2 GLY A  11       5.273  -1.505  -1.013  1.00  0.32           H   new
ATOM      0  HA3 GLY A  11       3.812  -2.317  -1.540  1.00  0.32           H   new
ATOM    148  N   ILE A  12       3.277  -0.383   0.309  1.00  0.25           N
ATOM    149  CA  ILE A  12       2.559   0.318   1.357  1.00  0.25           C
ATOM    150  C   ILE A  12       1.102   0.514   0.935  1.00  0.22           C
ATOM    151  O   ILE A  12       0.816   0.870  -0.212  1.00  0.22           O
ATOM    152  CB  ILE A  12       3.254   1.670   1.690  1.00  0.30           C
ATOM    153  CG1 ILE A  12       2.628   2.356   2.918  1.00  0.33           C
ATOM    154  CG2 ILE A  12       3.243   2.601   0.486  1.00  0.30           C
ATOM    155  CD1 ILE A  12       1.413   3.212   2.619  1.00  0.29           C
ATOM      0  H   ILE A  12       3.386   0.151  -0.553  1.00  0.25           H   new
ATOM      0  HA  ILE A  12       2.572  -0.279   2.269  1.00  0.25           H   new
ATOM      0  HB  ILE A  12       4.290   1.443   1.940  1.00  0.30           H   new
ATOM      0 HG12 ILE A  12       2.346   1.590   3.640  1.00  0.33           H   new
ATOM      0 HG13 ILE A  12       3.385   2.979   3.394  1.00  0.33           H   new
ATOM      0 HG21 ILE A  12       3.735   3.538   0.746  1.00  0.30           H   new
ATOM      0 HG22 ILE A  12       3.773   2.131  -0.342  1.00  0.30           H   new
ATOM      0 HG23 ILE A  12       2.213   2.802   0.191  1.00  0.30           H   new
ATOM      0 HD11 ILE A  12       1.042   3.653   3.544  1.00  0.29           H   new
ATOM      0 HD12 ILE A  12       1.689   4.005   1.924  1.00  0.29           H   new
ATOM      0 HD13 ILE A  12       0.633   2.594   2.174  1.00  0.29           H   new
ATOM    167  N   TYR A  13       0.190   0.246   1.857  1.00  0.24           N
ATOM    168  CA  TYR A  13      -1.232   0.311   1.569  1.00  0.23           C
ATOM    169  C   TYR A  13      -1.785   1.716   1.775  1.00  0.21           C
ATOM    170  O   TYR A  13      -1.814   2.233   2.894  1.00  0.26           O
ATOM    171  CB  TYR A  13      -1.988  -0.691   2.447  1.00  0.28           C
ATOM    172  CG  TYR A  13      -3.494  -0.649   2.292  1.00  0.32           C
ATOM    173  CD1 TYR A  13      -4.081  -0.708   1.034  1.00  0.53           C
ATOM    174  CD2 TYR A  13      -4.327  -0.537   3.398  1.00  0.49           C
ATOM    175  CE1 TYR A  13      -5.454  -0.663   0.883  1.00  0.65           C
ATOM    176  CE2 TYR A  13      -5.701  -0.492   3.256  1.00  0.61           C
ATOM    177  CZ  TYR A  13      -6.262  -0.583   2.016  1.00  0.64           C
ATOM    178  OH  TYR A  13      -7.626  -0.503   1.851  1.00  0.80           O
ATOM      0  H   TYR A  13       0.413  -0.020   2.816  1.00  0.24           H   new
ATOM      0  HA  TYR A  13      -1.374   0.053   0.520  1.00  0.23           H   new
ATOM      0  HB2 TYR A  13      -1.639  -1.697   2.212  1.00  0.28           H   new
ATOM      0  HB3 TYR A  13      -1.737  -0.502   3.491  1.00  0.28           H   new
ATOM      0  HD1 TYR A  13      -3.453  -0.790   0.159  1.00  0.53           H   new
ATOM      0  HD2 TYR A  13      -3.893  -0.484   4.386  1.00  0.49           H   new
ATOM      0  HE1 TYR A  13      -5.896  -0.690  -0.102  1.00  0.65           H   new
ATOM      0  HE2 TYR A  13      -6.331  -0.385   4.127  1.00  0.61           H   new
ATOM      0  HH  TYR A  13      -8.064  -1.171   2.419  1.00  0.80           H   new
ATOM    188  N   TRP A  14      -2.207   2.327   0.681  1.00  0.20           N
ATOM    189  CA  TRP A  14      -2.894   3.604   0.729  1.00  0.20           C
ATOM    190  C   TRP A  14      -4.398   3.373   0.784  1.00  0.21           C
ATOM    191  O   TRP A  14      -5.017   3.036  -0.225  1.00  0.27           O
ATOM    192  CB  TRP A  14      -2.549   4.445  -0.502  1.00  0.23           C
ATOM    193  CG  TRP A  14      -1.130   4.924  -0.532  1.00  0.23           C
ATOM    194  CD1 TRP A  14      -0.046   4.255  -1.024  1.00  0.28           C
ATOM    195  CD2 TRP A  14      -0.645   6.189  -0.064  1.00  0.28           C
ATOM    196  NE1 TRP A  14       1.085   5.025  -0.882  1.00  0.31           N
ATOM    197  CE2 TRP A  14       0.742   6.215  -0.294  1.00  0.31           C
ATOM    198  CE3 TRP A  14      -1.250   7.299   0.531  1.00  0.35           C
ATOM    199  CZ2 TRP A  14       1.532   7.312   0.046  1.00  0.40           C
ATOM    200  CZ3 TRP A  14      -0.465   8.385   0.867  1.00  0.45           C
ATOM    201  CH2 TRP A  14       0.913   8.386   0.623  1.00  0.47           C
ATOM      0  H   TRP A  14      -2.083   1.953  -0.260  1.00  0.20           H   new
ATOM      0  HA  TRP A  14      -2.572   4.141   1.621  1.00  0.20           H   new
ATOM      0  HB2 TRP A  14      -2.742   3.856  -1.398  1.00  0.23           H   new
ATOM      0  HB3 TRP A  14      -3.214   5.308  -0.538  1.00  0.23           H   new
ATOM      0  HD1 TRP A  14      -0.073   3.267  -1.460  1.00  0.28           H   new
ATOM      0  HE1 TRP A  14       2.026   4.755  -1.168  1.00  0.31           H   new
ATOM      0  HE3 TRP A  14      -2.312   7.308   0.725  1.00  0.35           H   new
ATOM      0  HZ2 TRP A  14       2.596   7.314  -0.140  1.00  0.40           H   new
ATOM      0  HZ3 TRP A  14      -0.923   9.249   1.326  1.00  0.45           H   new
ATOM      0  HH2 TRP A  14       1.499   9.252   0.896  1.00  0.47           H   new
ATOM    212  N   PHE A  15      -4.978   3.524   1.967  1.00  0.32           N
ATOM    213  CA  PHE A  15      -6.413   3.344   2.132  1.00  0.38           C
ATOM    214  C   PHE A  15      -7.161   4.523   1.520  1.00  0.41           C
ATOM    215  O   PHE A  15      -6.827   5.682   1.777  1.00  0.57           O
ATOM    216  CB  PHE A  15      -6.765   3.195   3.614  1.00  0.46           C
ATOM    217  CG  PHE A  15      -8.232   2.977   3.882  1.00  0.55           C
ATOM    218  CD1 PHE A  15      -8.794   1.715   3.755  1.00  0.65           C
ATOM    219  CD2 PHE A  15      -9.051   4.031   4.261  1.00  0.62           C
ATOM    220  CE1 PHE A  15     -10.138   1.509   4.001  1.00  0.75           C
ATOM    221  CE2 PHE A  15     -10.396   3.831   4.507  1.00  0.70           C
ATOM    222  CZ  PHE A  15     -10.942   2.580   4.377  1.00  0.75           C
ATOM      0  H   PHE A  15      -4.479   3.769   2.822  1.00  0.32           H   new
ATOM      0  HA  PHE A  15      -6.715   2.433   1.615  1.00  0.38           H   new
ATOM      0  HB2 PHE A  15      -6.203   2.357   4.027  1.00  0.46           H   new
ATOM      0  HB3 PHE A  15      -6.439   4.089   4.145  1.00  0.46           H   new
ATOM      0  HD1 PHE A  15      -8.173   0.882   3.460  1.00  0.65           H   new
ATOM      0  HD2 PHE A  15      -8.632   5.021   4.365  1.00  0.62           H   new
ATOM      0  HE1 PHE A  15     -10.562   0.521   3.902  1.00  0.75           H   new
ATOM      0  HE2 PHE A  15     -11.019   4.662   4.802  1.00  0.70           H   new
ATOM      0  HZ  PHE A  15     -11.994   2.426   4.566  1.00  0.75           H   new
ATOM    232  N   GLY A  16      -8.157   4.222   0.708  1.00  0.50           N
ATOM    233  CA  GLY A  16      -8.916   5.255   0.048  1.00  0.60           C
ATOM    234  C   GLY A  16      -8.635   5.303  -1.438  1.00  0.65           C
ATOM    235  O   GLY A  16      -9.375   4.725  -2.233  1.00  1.07           O
ATOM      0  H   GLY A  16      -8.455   3.271   0.493  1.00  0.50           H   new
ATOM      0  HA2 GLY A  16      -9.980   5.083   0.210  1.00  0.60           H   new
ATOM      0  HA3 GLY A  16      -8.678   6.221   0.493  1.00  0.60           H   new
ATOM    239  N   THR A  17      -7.552   5.971  -1.807  1.00  0.46           N
ATOM    240  CA  THR A  17      -7.194   6.151  -3.206  1.00  0.47           C
ATOM    241  C   THR A  17      -6.886   4.817  -3.886  1.00  0.50           C
ATOM    242  O   THR A  17      -6.469   3.852  -3.243  1.00  0.57           O
ATOM    243  CB  THR A  17      -5.985   7.109  -3.357  1.00  0.48           C
ATOM    244  OG1 THR A  17      -5.641   7.270  -4.738  1.00  0.56           O
ATOM    245  CG2 THR A  17      -4.771   6.603  -2.589  1.00  0.47           C
ATOM      0  H   THR A  17      -6.901   6.401  -1.150  1.00  0.46           H   new
ATOM      0  HA  THR A  17      -8.059   6.596  -3.699  1.00  0.47           H   new
ATOM      0  HB  THR A  17      -6.281   8.072  -2.940  1.00  0.48           H   new
ATOM      0  HG1 THR A  17      -4.678   7.132  -4.853  1.00  0.56           H   new
ATOM      0 HG21 THR A  17      -3.943   7.300  -2.718  1.00  0.47           H   new
ATOM      0 HG22 THR A  17      -5.017   6.524  -1.530  1.00  0.47           H   new
ATOM      0 HG23 THR A  17      -4.483   5.623  -2.969  1.00  0.47           H   new
ATOM    253  N   LYS A  18      -7.122   4.768  -5.190  1.00  0.58           N
ATOM    254  CA  LYS A  18      -6.784   3.604  -5.994  1.00  0.69           C
ATOM    255  C   LYS A  18      -5.663   3.975  -6.949  1.00  0.64           C
ATOM    256  O   LYS A  18      -5.351   3.242  -7.891  1.00  0.71           O
ATOM    257  CB  LYS A  18      -7.995   3.092  -6.790  1.00  0.91           C
ATOM    258  CG  LYS A  18      -9.161   2.618  -5.936  1.00  1.70           C
ATOM    259  CD  LYS A  18     -10.024   3.776  -5.466  1.00  2.32           C
ATOM    260  CE  LYS A  18     -11.196   3.297  -4.625  1.00  3.29           C
ATOM    261  NZ  LYS A  18     -10.754   2.620  -3.377  1.00  3.98           N
ATOM      0  H   LYS A  18      -7.550   5.529  -5.717  1.00  0.58           H   new
ATOM      0  HA  LYS A  18      -6.467   2.804  -5.326  1.00  0.69           H   new
ATOM      0  HB2 LYS A  18      -8.344   3.888  -7.448  1.00  0.91           H   new
ATOM      0  HB3 LYS A  18      -7.672   2.270  -7.429  1.00  0.91           H   new
ATOM      0  HG2 LYS A  18      -9.771   1.920  -6.509  1.00  1.70           H   new
ATOM      0  HG3 LYS A  18      -8.781   2.074  -5.071  1.00  1.70           H   new
ATOM      0  HD2 LYS A  18      -9.417   4.469  -4.884  1.00  2.32           H   new
ATOM      0  HD3 LYS A  18     -10.397   4.327  -6.330  1.00  2.32           H   new
ATOM      0  HE2 LYS A  18     -11.829   4.147  -4.370  1.00  3.29           H   new
ATOM      0  HE3 LYS A  18     -11.805   2.610  -5.212  1.00  3.29           H   new
ATOM      0  HZ1 LYS A  18     -11.572   2.478  -2.751  1.00  3.98           H   new
ATOM      0  HZ2 LYS A  18     -10.333   1.698  -3.612  1.00  3.98           H   new
ATOM      0  HZ3 LYS A  18     -10.047   3.210  -2.894  1.00  3.98           H   new
ATOM    275  N   THR A  19      -5.071   5.132  -6.698  1.00  0.62           N
ATOM    276  CA  THR A  19      -4.006   5.648  -7.532  1.00  0.69           C
ATOM    277  C   THR A  19      -2.800   6.017  -6.674  1.00  0.60           C
ATOM    278  O   THR A  19      -2.937   6.703  -5.661  1.00  0.89           O
ATOM    279  CB  THR A  19      -4.493   6.885  -8.311  1.00  0.84           C
ATOM    280  OG1 THR A  19      -5.767   6.602  -8.903  1.00  1.60           O
ATOM    281  CG2 THR A  19      -3.504   7.273  -9.400  1.00  1.50           C
ATOM      0  H   THR A  19      -5.317   5.735  -5.913  1.00  0.62           H   new
ATOM      0  HA  THR A  19      -3.713   4.875  -8.243  1.00  0.69           H   new
ATOM      0  HB  THR A  19      -4.579   7.718  -7.614  1.00  0.84           H   new
ATOM      0  HG1 THR A  19      -6.080   7.388  -9.398  1.00  1.60           H   new
ATOM      0 HG21 THR A  19      -3.874   8.149  -9.933  1.00  1.50           H   new
ATOM      0 HG22 THR A  19      -2.539   7.504  -8.949  1.00  1.50           H   new
ATOM      0 HG23 THR A  19      -3.389   6.445 -10.099  1.00  1.50           H   new
ATOM    289  N   CYS A  20      -1.628   5.543  -7.067  1.00  0.60           N
ATOM    290  CA  CYS A  20      -0.407   5.816  -6.323  1.00  0.62           C
ATOM    291  C   CYS A  20      -0.027   7.287  -6.418  1.00  0.52           C
ATOM    292  O   CYS A  20       0.023   7.850  -7.517  1.00  0.65           O
ATOM    293  CB  CYS A  20       0.745   4.957  -6.849  1.00  0.87           C
ATOM    294  SG  CYS A  20       0.546   3.178  -6.532  1.00  0.91           S
ATOM      0  H   CYS A  20      -1.496   4.967  -7.898  1.00  0.60           H   new
ATOM      0  HA  CYS A  20      -0.593   5.568  -5.278  1.00  0.62           H   new
ATOM      0  HB2 CYS A  20       0.842   5.116  -7.923  1.00  0.87           H   new
ATOM      0  HB3 CYS A  20       1.675   5.295  -6.392  1.00  0.87           H   new
ATOM    299  N   PRO A  21       0.210   7.936  -5.264  1.00  0.45           N
ATOM    300  CA  PRO A  21       0.722   9.304  -5.224  1.00  0.56           C
ATOM    301  C   PRO A  21       1.991   9.421  -6.054  1.00  0.71           C
ATOM    302  O   PRO A  21       3.037   8.881  -5.686  1.00  0.82           O
ATOM    303  CB  PRO A  21       1.016   9.547  -3.743  1.00  0.62           C
ATOM    304  CG  PRO A  21       0.146   8.584  -3.011  1.00  0.51           C
ATOM    305  CD  PRO A  21      -0.020   7.390  -3.914  1.00  0.49           C
ATOM      0  HA  PRO A  21       0.020  10.031  -5.634  1.00  0.56           H   new
ATOM      0  HB2 PRO A  21       2.069   9.377  -3.517  1.00  0.62           H   new
ATOM      0  HB3 PRO A  21       0.791  10.575  -3.460  1.00  0.62           H   new
ATOM      0  HG2 PRO A  21       0.599   8.294  -2.063  1.00  0.51           H   new
ATOM      0  HG3 PRO A  21      -0.820   9.032  -2.778  1.00  0.51           H   new
ATOM      0  HD2 PRO A  21       0.695   6.604  -3.673  1.00  0.49           H   new
ATOM      0  HD3 PRO A  21      -1.015   6.955  -3.823  1.00  0.49           H   new
ATOM    313  N   SER A  22       1.895  10.109  -7.180  1.00  0.99           N
ATOM    314  CA  SER A  22       2.985  10.168  -8.140  1.00  1.26           C
ATOM    315  C   SER A  22       4.003  11.239  -7.751  1.00  1.32           C
ATOM    316  O   SER A  22       4.413  12.062  -8.569  1.00  1.83           O
ATOM    317  CB  SER A  22       2.409  10.435  -9.531  1.00  1.68           C
ATOM    318  OG  SER A  22       1.348   9.532  -9.808  1.00  2.07           O
ATOM      0  H   SER A  22       1.067  10.638  -7.453  1.00  0.99           H   new
ATOM      0  HA  SER A  22       3.511   9.213  -8.146  1.00  1.26           H   new
ATOM      0  HB2 SER A  22       2.047  11.461  -9.591  1.00  1.68           H   new
ATOM      0  HB3 SER A  22       3.191  10.329 -10.282  1.00  1.68           H   new
ATOM      0  HG  SER A  22       0.987   9.715 -10.701  1.00  2.07           H   new
ATOM    324  N   ASN A  23       4.401  11.216  -6.489  1.00  1.04           N
ATOM    325  CA  ASN A  23       5.357  12.179  -5.960  1.00  1.20           C
ATOM    326  C   ASN A  23       6.264  11.512  -4.930  1.00  1.07           C
ATOM    327  O   ASN A  23       6.792  12.166  -4.030  1.00  1.27           O
ATOM    328  CB  ASN A  23       4.623  13.377  -5.342  1.00  1.39           C
ATOM    329  CG  ASN A  23       3.762  13.005  -4.142  1.00  1.32           C
ATOM    330  OD1 ASN A  23       3.321  11.862  -4.000  1.00  1.83           O
ATOM    331  ND2 ASN A  23       3.501  13.972  -3.278  1.00  1.61           N
ATOM      0  H   ASN A  23       4.073  10.534  -5.805  1.00  1.04           H   new
ATOM      0  HA  ASN A  23       5.977  12.543  -6.779  1.00  1.20           H   new
ATOM      0  HB2 ASN A  23       5.355  14.124  -5.037  1.00  1.39           H   new
ATOM      0  HB3 ASN A  23       3.993  13.840  -6.102  1.00  1.39           H   new
ATOM      0 HD21 ASN A  23       2.918  13.784  -2.463  1.00  1.61           H   new
ATOM      0 HD22 ASN A  23       3.883  14.906  -3.427  1.00  1.61           H   new
ATOM    338  N   ARG A  24       6.428  10.201  -5.064  1.00  0.95           N
ATOM    339  CA  ARG A  24       7.303   9.441  -4.180  1.00  1.02           C
ATOM    340  C   ARG A  24       8.406   8.749  -4.967  1.00  1.13           C
ATOM    341  O   ARG A  24       9.591   8.926  -4.686  1.00  1.71           O
ATOM    342  CB  ARG A  24       6.513   8.388  -3.398  1.00  1.06           C
ATOM    343  CG  ARG A  24       6.191   8.788  -1.970  1.00  1.42           C
ATOM    344  CD  ARG A  24       5.179   9.914  -1.901  1.00  1.41           C
ATOM    345  NE  ARG A  24       4.887  10.293  -0.520  1.00  2.03           N
ATOM    346  CZ  ARG A  24       4.012  11.236  -0.178  1.00  2.71           C
ATOM    347  NH1 ARG A  24       3.309  11.859  -1.112  1.00  3.19           N
ATOM    348  NH2 ARG A  24       3.835  11.543   1.098  1.00  3.39           N
ATOM      0  H   ARG A  24       5.964   9.641  -5.779  1.00  0.95           H   new
ATOM      0  HA  ARG A  24       7.749  10.149  -3.481  1.00  1.02           H   new
ATOM      0  HB2 ARG A  24       5.581   8.183  -3.925  1.00  1.06           H   new
ATOM      0  HB3 ARG A  24       7.082   7.459  -3.384  1.00  1.06           H   new
ATOM      0  HG2 ARG A  24       5.805   7.923  -1.431  1.00  1.42           H   new
ATOM      0  HG3 ARG A  24       7.107   9.095  -1.466  1.00  1.42           H   new
ATOM      0  HD2 ARG A  24       5.560  10.779  -2.443  1.00  1.41           H   new
ATOM      0  HD3 ARG A  24       4.258   9.607  -2.397  1.00  1.41           H   new
ATOM      0  HE  ARG A  24       5.383   9.806   0.226  1.00  2.03           H   new
ATOM      0 HH11 ARG A  24       3.438  11.616  -2.094  1.00  3.19           H   new
ATOM      0 HH12 ARG A  24       2.639  12.581  -0.849  1.00  3.19           H   new
ATOM      0 HH21 ARG A  24       4.369  11.057   1.818  1.00  3.39           H   new
ATOM      0 HH22 ARG A  24       3.165  12.266   1.360  1.00  3.39           H   new
ATOM    362  N   GLY A  25       7.998   7.972  -5.957  1.00  0.93           N
ATOM    363  CA  GLY A  25       8.936   7.188  -6.728  1.00  1.10           C
ATOM    364  C   GLY A  25       8.494   5.742  -6.854  1.00  0.81           C
ATOM    365  O   GLY A  25       9.311   4.855  -7.098  1.00  0.78           O
ATOM      0  H   GLY A  25       7.024   7.870  -6.242  1.00  0.93           H   new
ATOM      0  HA2 GLY A  25       9.043   7.623  -7.722  1.00  1.10           H   new
ATOM      0  HA3 GLY A  25       9.917   7.228  -6.256  1.00  1.10           H   new
ATOM    369  N   TYR A  26       7.193   5.508  -6.683  1.00  0.71           N
ATOM    370  CA  TYR A  26       6.627   4.165  -6.789  1.00  0.50           C
ATOM    371  C   TYR A  26       6.791   3.616  -8.199  1.00  0.49           C
ATOM    372  O   TYR A  26       6.767   4.368  -9.178  1.00  0.71           O
ATOM    373  CB  TYR A  26       5.141   4.169  -6.415  1.00  0.51           C
ATOM    374  CG  TYR A  26       4.875   4.508  -4.968  1.00  0.93           C
ATOM    375  CD1 TYR A  26       5.370   3.709  -3.946  1.00  1.52           C
ATOM    376  CD2 TYR A  26       4.133   5.630  -4.624  1.00  1.20           C
ATOM    377  CE1 TYR A  26       5.133   4.022  -2.622  1.00  2.35           C
ATOM    378  CE2 TYR A  26       3.891   5.949  -3.304  1.00  2.02           C
ATOM    379  CZ  TYR A  26       4.380   5.121  -2.305  1.00  2.61           C
ATOM    380  OH  TYR A  26       4.157   5.459  -0.993  1.00  3.45           O
ATOM      0  H   TYR A  26       6.510   6.235  -6.470  1.00  0.71           H   new
ATOM      0  HA  TYR A  26       7.169   3.525  -6.093  1.00  0.50           H   new
ATOM      0  HB2 TYR A  26       4.619   4.887  -7.048  1.00  0.51           H   new
ATOM      0  HB3 TYR A  26       4.719   3.187  -6.631  1.00  0.51           H   new
ATOM      0  HD1 TYR A  26       5.949   2.830  -4.190  1.00  1.52           H   new
ATOM      0  HD2 TYR A  26       3.738   6.264  -5.404  1.00  1.20           H   new
ATOM      0  HE1 TYR A  26       5.541   3.401  -1.838  1.00  2.35           H   new
ATOM      0  HE2 TYR A  26       3.327   6.834  -3.051  1.00  2.02           H   new
ATOM      0  HH  TYR A  26       4.866   6.062  -0.686  1.00  3.45           H   new
ATOM    390  N   THR A  27       6.954   2.307  -8.293  1.00  0.41           N
ATOM    391  CA  THR A  27       7.167   1.659  -9.572  1.00  0.53           C
ATOM    392  C   THR A  27       5.937   0.853  -9.984  1.00  0.45           C
ATOM    393  O   THR A  27       5.507   0.903 -11.140  1.00  0.67           O
ATOM    394  CB  THR A  27       8.392   0.726  -9.521  1.00  0.66           C
ATOM    395  OG1 THR A  27       9.449   1.348  -8.777  1.00  1.18           O
ATOM    396  CG2 THR A  27       8.884   0.399 -10.923  1.00  1.33           C
ATOM      0  H   THR A  27       6.942   1.672  -7.495  1.00  0.41           H   new
ATOM      0  HA  THR A  27       7.346   2.442 -10.309  1.00  0.53           H   new
ATOM      0  HB  THR A  27       8.094  -0.201  -9.031  1.00  0.66           H   new
ATOM      0  HG1 THR A  27      10.224   0.749  -8.747  1.00  1.18           H   new
ATOM      0 HG21 THR A  27       9.749  -0.261 -10.860  1.00  1.33           H   new
ATOM      0 HG22 THR A  27       8.090  -0.096 -11.481  1.00  1.33           H   new
ATOM      0 HG23 THR A  27       9.166   1.320 -11.434  1.00  1.33           H   new
ATOM    404  N   GLY A  28       5.364   0.127  -9.031  1.00  0.29           N
ATOM    405  CA  GLY A  28       4.222  -0.711  -9.324  1.00  0.31           C
ATOM    406  C   GLY A  28       3.118  -0.557  -8.298  1.00  0.29           C
ATOM    407  O   GLY A  28       3.291   0.128  -7.286  1.00  0.35           O
ATOM      0  H   GLY A  28       5.673   0.105  -8.059  1.00  0.29           H   new
ATOM      0  HA2 GLY A  28       3.835  -0.461 -10.312  1.00  0.31           H   new
ATOM      0  HA3 GLY A  28       4.539  -1.753  -9.360  1.00  0.31           H   new
ATOM    411  N   SER A  29       1.993  -1.213  -8.538  1.00  0.31           N
ATOM    412  CA  SER A  29       0.834  -1.066  -7.674  1.00  0.34           C
ATOM    413  C   SER A  29      -0.043  -2.318  -7.682  1.00  0.37           C
ATOM    414  O   SER A  29      -0.238  -2.950  -8.723  1.00  0.52           O
ATOM    415  CB  SER A  29       0.022   0.146  -8.129  1.00  0.43           C
ATOM    416  OG  SER A  29      -0.210   0.104  -9.528  1.00  0.96           O
ATOM      0  H   SER A  29       1.859  -1.851  -9.323  1.00  0.31           H   new
ATOM      0  HA  SER A  29       1.184  -0.921  -6.652  1.00  0.34           H   new
ATOM      0  HB2 SER A  29      -0.930   0.170  -7.599  1.00  0.43           H   new
ATOM      0  HB3 SER A  29       0.554   1.062  -7.872  1.00  0.43           H   new
ATOM      0  HG  SER A  29      -0.733   0.888  -9.797  1.00  0.96           H   new
ATOM    422  N   CYS A  30      -0.560  -2.669  -6.515  1.00  0.34           N
ATOM    423  CA  CYS A  30      -1.513  -3.763  -6.380  1.00  0.40           C
ATOM    424  C   CYS A  30      -2.840  -3.213  -5.880  1.00  0.37           C
ATOM    425  O   CYS A  30      -2.866  -2.416  -4.944  1.00  0.43           O
ATOM    426  CB  CYS A  30      -0.998  -4.812  -5.389  1.00  0.55           C
ATOM    427  SG  CYS A  30       0.651  -5.477  -5.778  1.00  1.01           S
ATOM      0  H   CYS A  30      -0.332  -2.205  -5.635  1.00  0.34           H   new
ATOM      0  HA  CYS A  30      -1.643  -4.235  -7.354  1.00  0.40           H   new
ATOM      0  HB2 CYS A  30      -0.971  -4.370  -4.393  1.00  0.55           H   new
ATOM      0  HB3 CYS A  30      -1.709  -5.638  -5.352  1.00  0.55           H   new
ATOM    432  N   GLY A  31      -3.932  -3.622  -6.503  1.00  0.39           N
ATOM    433  CA  GLY A  31      -5.239  -3.190  -6.056  1.00  0.40           C
ATOM    434  C   GLY A  31      -5.633  -3.882  -4.772  1.00  0.40           C
ATOM    435  O   GLY A  31      -5.479  -5.097  -4.651  1.00  0.49           O
ATOM      0  H   GLY A  31      -3.938  -4.245  -7.310  1.00  0.39           H   new
ATOM      0  HA2 GLY A  31      -5.236  -2.111  -5.904  1.00  0.40           H   new
ATOM      0  HA3 GLY A  31      -5.979  -3.402  -6.828  1.00  0.40           H   new
ATOM    439  N   TYR A  32      -6.124  -3.122  -3.805  1.00  0.38           N
ATOM    440  CA  TYR A  32      -6.468  -3.686  -2.512  1.00  0.42           C
ATOM    441  C   TYR A  32      -7.881  -3.247  -2.119  1.00  0.42           C
ATOM    442  O   TYR A  32      -8.411  -2.289  -2.691  1.00  0.41           O
ATOM    443  CB  TYR A  32      -5.422  -3.261  -1.469  1.00  0.47           C
ATOM    444  CG  TYR A  32      -5.212  -4.261  -0.349  1.00  0.63           C
ATOM    445  CD1 TYR A  32      -4.420  -5.389  -0.526  1.00  1.00           C
ATOM    446  CD2 TYR A  32      -5.825  -4.079   0.885  1.00  0.97           C
ATOM    447  CE1 TYR A  32      -4.247  -6.306   0.493  1.00  1.29           C
ATOM    448  CE2 TYR A  32      -5.654  -4.989   1.910  1.00  1.30           C
ATOM    449  CZ  TYR A  32      -4.785  -6.087   1.707  1.00  1.34           C
ATOM    450  OH  TYR A  32      -4.700  -7.014   2.727  1.00  1.75           O
ATOM      0  H   TYR A  32      -6.292  -2.120  -3.891  1.00  0.38           H   new
ATOM      0  HA  TYR A  32      -6.462  -4.775  -2.563  1.00  0.42           H   new
ATOM      0  HB2 TYR A  32      -4.470  -3.094  -1.974  1.00  0.47           H   new
ATOM      0  HB3 TYR A  32      -5.725  -2.308  -1.036  1.00  0.47           H   new
ATOM      0  HD1 TYR A  32      -3.932  -5.552  -1.476  1.00  1.00           H   new
ATOM      0  HD2 TYR A  32      -6.446  -3.210   1.045  1.00  0.97           H   new
ATOM      0  HE1 TYR A  32      -3.676  -7.205   0.314  1.00  1.29           H   new
ATOM      0  HE2 TYR A  32      -6.174  -4.865   2.849  1.00  1.30           H   new
ATOM      0  HH  TYR A  32      -5.151  -6.666   3.524  1.00  1.75           H   new
ATOM    460  N   PHE A  33      -8.452  -3.922  -1.115  1.00  0.48           N
ATOM    461  CA  PHE A  33      -9.883  -3.824  -0.781  1.00  0.54           C
ATOM    462  C   PHE A  33     -10.442  -2.418  -0.947  1.00  0.56           C
ATOM    463  O   PHE A  33     -11.241  -2.165  -1.852  1.00  1.24           O
ATOM    464  CB  PHE A  33     -10.116  -4.294   0.656  1.00  0.64           C
ATOM    465  CG  PHE A  33     -10.112  -5.786   0.811  1.00  1.00           C
ATOM    466  CD1 PHE A  33     -11.280  -6.516   0.682  1.00  1.18           C
ATOM    467  CD2 PHE A  33      -8.932  -6.457   1.087  1.00  1.38           C
ATOM    468  CE1 PHE A  33     -11.271  -7.889   0.827  1.00  1.63           C
ATOM    469  CE2 PHE A  33      -8.918  -7.829   1.232  1.00  1.86           C
ATOM    470  CZ  PHE A  33     -10.119  -8.547   1.088  1.00  1.96           C
ATOM      0  H   PHE A  33      -7.934  -4.556  -0.506  1.00  0.48           H   new
ATOM      0  HA  PHE A  33     -10.411  -4.466  -1.486  1.00  0.54           H   new
ATOM      0  HB2 PHE A  33      -9.344  -3.869   1.297  1.00  0.64           H   new
ATOM      0  HB3 PHE A  33     -11.072  -3.904   1.006  1.00  0.64           H   new
ATOM      0  HD1 PHE A  33     -12.208  -6.007   0.466  1.00  1.18           H   new
ATOM      0  HD2 PHE A  33      -8.013  -5.900   1.190  1.00  1.38           H   new
ATOM      0  HE1 PHE A  33     -12.193  -8.443   0.731  1.00  1.63           H   new
ATOM      0  HE2 PHE A  33      -7.996  -8.346   1.453  1.00  1.86           H   new
ATOM      0  HZ  PHE A  33     -10.121  -9.623   1.186  1.00  1.96           H   new
ATOM    480  N   LEU A  34     -10.031  -1.506  -0.089  1.00  0.56           N
ATOM    481  CA  LEU A  34     -10.495  -0.136  -0.185  1.00  0.53           C
ATOM    482  C   LEU A  34      -9.320   0.801  -0.374  1.00  0.43           C
ATOM    483  O   LEU A  34      -9.247   1.851   0.257  1.00  0.49           O
ATOM    484  CB  LEU A  34     -11.305   0.274   1.052  1.00  0.63           C
ATOM    485  CG  LEU A  34     -12.708  -0.334   1.171  1.00  0.92           C
ATOM    486  CD1 LEU A  34     -12.645  -1.788   1.611  1.00  1.75           C
ATOM    487  CD2 LEU A  34     -13.553   0.480   2.136  1.00  1.57           C
ATOM      0  H   LEU A  34      -9.382  -1.686   0.677  1.00  0.56           H   new
ATOM      0  HA  LEU A  34     -11.153  -0.067  -1.051  1.00  0.53           H   new
ATOM      0  HB2 LEU A  34     -10.736   0.001   1.941  1.00  0.63           H   new
ATOM      0  HB3 LEU A  34     -11.400   1.360   1.056  1.00  0.63           H   new
ATOM      0  HG  LEU A  34     -13.173  -0.306   0.186  1.00  0.92           H   new
ATOM      0 HD11 LEU A  34     -13.656  -2.190   1.686  1.00  1.75           H   new
ATOM      0 HD12 LEU A  34     -12.078  -2.365   0.880  1.00  1.75           H   new
ATOM      0 HD13 LEU A  34     -12.156  -1.853   2.583  1.00  1.75           H   new
ATOM      0 HD21 LEU A  34     -14.547   0.038   2.212  1.00  1.57           H   new
ATOM      0 HD22 LEU A  34     -13.082   0.483   3.119  1.00  1.57           H   new
ATOM      0 HD23 LEU A  34     -13.638   1.504   1.771  1.00  1.57           H   new
ATOM    499  N   GLY A  35      -8.394   0.412  -1.237  1.00  0.34           N
ATOM    500  CA  GLY A  35      -7.242   1.246  -1.490  1.00  0.34           C
ATOM    501  C   GLY A  35      -6.272   0.620  -2.464  1.00  0.28           C
ATOM    502  O   GLY A  35      -6.642  -0.257  -3.249  1.00  0.33           O
ATOM      0  H   GLY A  35      -8.420  -0.461  -1.763  1.00  0.34           H   new
ATOM      0  HA2 GLY A  35      -7.574   2.208  -1.881  1.00  0.34           H   new
ATOM      0  HA3 GLY A  35      -6.729   1.445  -0.549  1.00  0.34           H   new
ATOM    506  N   ILE A  36      -5.033   1.064  -2.415  1.00  0.24           N
ATOM    507  CA  ILE A  36      -4.020   0.578  -3.330  1.00  0.23           C
ATOM    508  C   ILE A  36      -2.701   0.321  -2.605  1.00  0.22           C
ATOM    509  O   ILE A  36      -2.249   1.127  -1.790  1.00  0.26           O
ATOM    510  CB  ILE A  36      -3.810   1.571  -4.497  1.00  0.27           C
ATOM    511  CG1 ILE A  36      -2.789   1.023  -5.498  1.00  0.29           C
ATOM    512  CG2 ILE A  36      -3.376   2.939  -3.976  1.00  0.31           C
ATOM    513  CD1 ILE A  36      -2.574   1.921  -6.695  1.00  0.37           C
ATOM      0  H   ILE A  36      -4.702   1.763  -1.749  1.00  0.24           H   new
ATOM      0  HA  ILE A  36      -4.371  -0.368  -3.741  1.00  0.23           H   new
ATOM      0  HB  ILE A  36      -4.762   1.692  -5.013  1.00  0.27           H   new
ATOM      0 HG12 ILE A  36      -1.836   0.876  -4.989  1.00  0.29           H   new
ATOM      0 HG13 ILE A  36      -3.121   0.044  -5.844  1.00  0.29           H   new
ATOM      0 HG21 ILE A  36      -3.235   3.620  -4.815  1.00  0.31           H   new
ATOM      0 HG22 ILE A  36      -4.144   3.336  -3.312  1.00  0.31           H   new
ATOM      0 HG23 ILE A  36      -2.439   2.839  -3.428  1.00  0.31           H   new
ATOM      0 HD11 ILE A  36      -1.839   1.470  -7.361  1.00  0.37           H   new
ATOM      0 HD12 ILE A  36      -3.516   2.049  -7.228  1.00  0.37           H   new
ATOM      0 HD13 ILE A  36      -2.212   2.893  -6.360  1.00  0.37           H   new
ATOM    525  N   CYS A  37      -2.110  -0.823  -2.886  1.00  0.24           N
ATOM    526  CA  CYS A  37      -0.811  -1.169  -2.349  1.00  0.27           C
ATOM    527  C   CYS A  37       0.283  -0.768  -3.326  1.00  0.24           C
ATOM    528  O   CYS A  37       0.524  -1.449  -4.321  1.00  0.33           O
ATOM    529  CB  CYS A  37      -0.747  -2.668  -2.059  1.00  0.37           C
ATOM    530  SG  CYS A  37      -1.566  -3.157  -0.511  1.00  1.11           S
ATOM      0  H   CYS A  37      -2.516  -1.537  -3.491  1.00  0.24           H   new
ATOM      0  HA  CYS A  37      -0.657  -0.627  -1.416  1.00  0.27           H   new
ATOM      0  HB2 CYS A  37      -1.206  -3.208  -2.887  1.00  0.37           H   new
ATOM      0  HB3 CYS A  37       0.298  -2.976  -2.018  1.00  0.37           H   new
ATOM    535  N   CYS A  38       0.929   0.347  -3.047  1.00  0.23           N
ATOM    536  CA  CYS A  38       1.955   0.874  -3.929  1.00  0.25           C
ATOM    537  C   CYS A  38       3.335   0.405  -3.497  1.00  0.20           C
ATOM    538  O   CYS A  38       3.700   0.515  -2.324  1.00  0.21           O
ATOM    539  CB  CYS A  38       1.903   2.400  -3.940  1.00  0.35           C
ATOM    540  SG  CYS A  38       0.318   3.078  -4.519  1.00  1.14           S
ATOM      0  H   CYS A  38       0.761   0.909  -2.212  1.00  0.23           H   new
ATOM      0  HA  CYS A  38       1.765   0.501  -4.935  1.00  0.25           H   new
ATOM      0  HB2 CYS A  38       2.098   2.768  -2.933  1.00  0.35           H   new
ATOM      0  HB3 CYS A  38       2.703   2.777  -4.578  1.00  0.35           H   new
ATOM    545  N   TYR A  39       4.100  -0.115  -4.444  1.00  0.21           N
ATOM    546  CA  TYR A  39       5.441  -0.600  -4.159  1.00  0.21           C
ATOM    547  C   TYR A  39       6.438  -0.020  -5.159  1.00  0.25           C
ATOM    548  O   TYR A  39       6.059   0.405  -6.256  1.00  0.29           O
ATOM    549  CB  TYR A  39       5.482  -2.136  -4.175  1.00  0.24           C
ATOM    550  CG  TYR A  39       5.012  -2.775  -5.464  1.00  0.28           C
ATOM    551  CD1 TYR A  39       5.855  -2.863  -6.561  1.00  0.36           C
ATOM    552  CD2 TYR A  39       3.719  -3.269  -5.591  1.00  0.33           C
ATOM    553  CE1 TYR A  39       5.428  -3.428  -7.746  1.00  0.45           C
ATOM    554  CE2 TYR A  39       3.284  -3.836  -6.772  1.00  0.41           C
ATOM    555  CZ  TYR A  39       4.154  -3.985  -7.816  1.00  0.46           C
ATOM    556  OH  TYR A  39       3.719  -4.481  -9.027  1.00  0.57           O
ATOM      0  H   TYR A  39       3.814  -0.212  -5.418  1.00  0.21           H   new
ATOM      0  HA  TYR A  39       5.722  -0.268  -3.160  1.00  0.21           H   new
ATOM      0  HB2 TYR A  39       6.504  -2.459  -3.978  1.00  0.24           H   new
ATOM      0  HB3 TYR A  39       4.867  -2.509  -3.356  1.00  0.24           H   new
ATOM      0  HD1 TYR A  39       6.863  -2.483  -6.487  1.00  0.36           H   new
ATOM      0  HD2 TYR A  39       3.043  -3.208  -4.751  1.00  0.33           H   new
ATOM      0  HE1 TYR A  39       6.076  -3.438  -8.610  1.00  0.45           H   new
ATOM      0  HE2 TYR A  39       2.259  -4.161  -6.871  1.00  0.41           H   new
ATOM      0  HH  TYR A  39       2.813  -4.840  -8.927  1.00  0.57           H   new
ATOM    566  N   PRO A  40       7.729   0.018  -4.801  1.00  0.28           N
ATOM    567  CA  PRO A  40       8.232  -0.446  -3.501  1.00  0.27           C
ATOM    568  C   PRO A  40       7.903   0.535  -2.379  1.00  0.31           C
ATOM    569  O   PRO A  40       7.740   1.731  -2.621  1.00  0.48           O
ATOM    570  CB  PRO A  40       9.755  -0.525  -3.709  1.00  0.45           C
ATOM    571  CG  PRO A  40       9.980  -0.301  -5.169  1.00  0.46           C
ATOM    572  CD  PRO A  40       8.818   0.519  -5.639  1.00  0.36           C
ATOM      0  HA  PRO A  40       7.782  -1.393  -3.204  1.00  0.27           H   new
ATOM      0  HB2 PRO A  40      10.270   0.229  -3.114  1.00  0.45           H   new
ATOM      0  HB3 PRO A  40      10.142  -1.495  -3.398  1.00  0.45           H   new
ATOM      0  HG2 PRO A  40      10.922   0.219  -5.344  1.00  0.46           H   new
ATOM      0  HG3 PRO A  40      10.033  -1.248  -5.706  1.00  0.46           H   new
ATOM      0  HD2 PRO A  40       8.987   1.586  -5.493  1.00  0.36           H   new
ATOM      0  HD3 PRO A  40       8.617   0.370  -6.700  1.00  0.36           H   new
ATOM    580  N   VAL A  41       7.792   0.026  -1.155  1.00  0.32           N
ATOM    581  CA  VAL A  41       7.492   0.875  -0.010  1.00  0.50           C
ATOM    582  C   VAL A  41       8.697   1.746   0.361  1.00  0.62           C
ATOM    583  O   VAL A  41       9.639   1.296   1.019  1.00  0.74           O
ATOM    584  CB  VAL A  41       7.009   0.054   1.218  1.00  0.68           C
ATOM    585  CG1 VAL A  41       8.011  -1.028   1.600  1.00  1.31           C
ATOM    586  CG2 VAL A  41       6.733   0.965   2.408  1.00  1.13           C
ATOM      0  H   VAL A  41       7.905  -0.963  -0.933  1.00  0.32           H   new
ATOM      0  HA  VAL A  41       6.671   1.528  -0.306  1.00  0.50           H   new
ATOM      0  HB  VAL A  41       6.079  -0.437   0.933  1.00  0.68           H   new
ATOM      0 HG11 VAL A  41       7.639  -1.581   2.462  1.00  1.31           H   new
ATOM      0 HG12 VAL A  41       8.146  -1.711   0.762  1.00  1.31           H   new
ATOM      0 HG13 VAL A  41       8.967  -0.567   1.850  1.00  1.31           H   new
ATOM      0 HG21 VAL A  41       6.396   0.366   3.254  1.00  1.13           H   new
ATOM      0 HG22 VAL A  41       7.646   1.496   2.679  1.00  1.13           H   new
ATOM      0 HG23 VAL A  41       5.959   1.686   2.143  1.00  1.13           H   new