USER  MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=15
USER  MOD reduce.3.24.130724 removed 291 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   1 GLY N   :NH3+   -111:sc=  0.0603   (180deg=0)
USER  MOD Single : A   2 THR OG1 :   rot  180:sc=  0.0785
USER  MOD Single : A   3 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   8 LYS NZ  :NH3+    172:sc=       0   (180deg=-0.063)
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  13 TYR OH  :   rot   46:sc=   0.492
USER  MOD Single : A  17 THR OG1 :   rot -142:sc=   0.438
USER  MOD Single : A  18 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
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=  -0.332  K(o=-0.33,f=-5!)
USER  MOD Single : A  26 TYR OH  :   rot   30:sc= -0.0438
USER  MOD Single : A  27 THR OG1 :   rot  180:sc=       0
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      1  N   GLY A   1      -0.129  -2.665  10.699  1.00  2.96           N
ATOM      2  CA  GLY A   1       0.515  -1.644   9.837  1.00  2.38           C
ATOM      3  C   GLY A   1      -0.011  -1.686   8.419  1.00  1.73           C
ATOM      4  O   GLY A   1      -0.544  -2.708   7.982  1.00  2.00           O
ATOM      0  H1  GLY A   1      -0.739  -2.195  11.398  1.00  2.96           H   new
ATOM      0  H2  GLY A   1      -0.703  -3.303  10.112  1.00  2.96           H   new
ATOM      0  H3  GLY A   1       0.603  -3.214  11.193  1.00  2.96           H   new
ATOM      0  HA2 GLY A   1       0.343  -0.653  10.258  1.00  2.38           H   new
ATOM      0  HA3 GLY A   1       1.593  -1.804   9.829  1.00  2.38           H   new
ATOM     10  N   THR A   2       0.144  -0.590   7.693  1.00  1.13           N
ATOM     11  CA  THR A   2      -0.316  -0.501   6.317  1.00  0.62           C
ATOM     12  C   THR A   2       0.729  -1.052   5.342  1.00  0.47           C
ATOM     13  O   THR A   2       0.964  -0.490   4.273  1.00  0.51           O
ATOM     14  CB  THR A   2      -0.651   0.955   5.964  1.00  0.67           C
ATOM     15  OG1 THR A   2       0.240   1.832   6.669  1.00  1.13           O
ATOM     16  CG2 THR A   2      -2.090   1.287   6.326  1.00  1.00           C
ATOM      0  H   THR A   2       0.590   0.259   8.039  1.00  1.13           H   new
ATOM      0  HA  THR A   2      -1.216  -1.109   6.225  1.00  0.62           H   new
ATOM      0  HB  THR A   2      -0.531   1.088   4.889  1.00  0.67           H   new
ATOM      0  HG1 THR A   2       0.029   2.762   6.444  1.00  1.13           H   new
ATOM      0 HG21 THR A   2      -2.301   2.324   6.065  1.00  1.00           H   new
ATOM      0 HG22 THR A   2      -2.764   0.631   5.776  1.00  1.00           H   new
ATOM      0 HG23 THR A   2      -2.238   1.145   7.396  1.00  1.00           H   new
ATOM     24  N   THR A   3       1.342  -2.163   5.720  1.00  0.58           N
ATOM     25  CA  THR A   3       2.352  -2.806   4.897  1.00  0.55           C
ATOM     26  C   THR A   3       1.759  -4.031   4.206  1.00  0.43           C
ATOM     27  O   THR A   3       1.165  -4.893   4.857  1.00  0.53           O
ATOM     28  CB  THR A   3       3.561  -3.231   5.753  1.00  0.70           C
ATOM     29  OG1 THR A   3       3.982  -2.128   6.571  1.00  1.12           O
ATOM     30  CG2 THR A   3       4.723  -3.695   4.881  1.00  0.98           C
ATOM      0  H   THR A   3       1.154  -2.641   6.601  1.00  0.58           H   new
ATOM      0  HA  THR A   3       2.688  -2.092   4.145  1.00  0.55           H   new
ATOM      0  HB  THR A   3       3.255  -4.066   6.383  1.00  0.70           H   new
ATOM      0  HG1 THR A   3       4.750  -2.399   7.116  1.00  1.12           H   new
ATOM      0 HG21 THR A   3       5.560  -3.988   5.515  1.00  0.98           H   new
ATOM      0 HG22 THR A   3       4.408  -4.547   4.279  1.00  0.98           H   new
ATOM      0 HG23 THR A   3       5.033  -2.882   4.225  1.00  0.98           H   new
ATOM     38  N   CYS A   4       1.899  -4.093   2.891  1.00  0.39           N
ATOM     39  CA  CYS A   4       1.359  -5.202   2.117  1.00  0.45           C
ATOM     40  C   CYS A   4       2.367  -5.683   1.080  1.00  0.38           C
ATOM     41  O   CYS A   4       2.899  -4.901   0.295  1.00  0.51           O
ATOM     42  CB  CYS A   4       0.045  -4.791   1.448  1.00  0.73           C
ATOM     43  SG  CYS A   4       0.105  -3.172   0.613  1.00  1.01           S
ATOM      0  H   CYS A   4       2.383  -3.387   2.336  1.00  0.39           H   new
ATOM      0  HA  CYS A   4       1.158  -6.030   2.796  1.00  0.45           H   new
ATOM      0  HB2 CYS A   4      -0.232  -5.553   0.719  1.00  0.73           H   new
ATOM      0  HB3 CYS A   4      -0.742  -4.769   2.202  1.00  0.73           H   new
ATOM     48  N   TYR A   5       2.639  -6.977   1.089  1.00  0.47           N
ATOM     49  CA  TYR A   5       3.605  -7.553   0.168  1.00  0.50           C
ATOM     50  C   TYR A   5       2.923  -8.022  -1.106  1.00  0.61           C
ATOM     51  O   TYR A   5       2.038  -8.877  -1.070  1.00  0.85           O
ATOM     52  CB  TYR A   5       4.338  -8.729   0.818  1.00  0.58           C
ATOM     53  CG  TYR A   5       5.167  -8.353   2.026  1.00  0.56           C
ATOM     54  CD1 TYR A   5       6.489  -7.946   1.888  1.00  0.59           C
ATOM     55  CD2 TYR A   5       4.628  -8.407   3.304  1.00  0.63           C
ATOM     56  CE1 TYR A   5       7.250  -7.610   2.992  1.00  0.66           C
ATOM     57  CE2 TYR A   5       5.382  -8.071   4.410  1.00  0.69           C
ATOM     58  CZ  TYR A   5       6.690  -7.671   4.251  1.00  0.70           C
ATOM     59  OH  TYR A   5       7.442  -7.347   5.356  1.00  0.81           O
ATOM      0  H   TYR A   5       2.205  -7.648   1.723  1.00  0.47           H   new
ATOM      0  HA  TYR A   5       4.328  -6.777  -0.082  1.00  0.50           H   new
ATOM      0  HB2 TYR A   5       3.606  -9.480   1.114  1.00  0.58           H   new
ATOM      0  HB3 TYR A   5       4.988  -9.192   0.076  1.00  0.58           H   new
ATOM      0  HD1 TYR A   5       6.928  -7.891   0.903  1.00  0.59           H   new
ATOM      0  HD2 TYR A   5       3.602  -8.717   3.435  1.00  0.63           H   new
ATOM      0  HE1 TYR A   5       8.278  -7.301   2.869  1.00  0.66           H   new
ATOM      0  HE2 TYR A   5       4.947  -8.122   5.397  1.00  0.69           H   new
ATOM      0  HH  TYR A   5       6.895  -7.442   6.163  1.00  0.81           H   new
ATOM     69  N   CYS A   6       3.323  -7.454  -2.230  1.00  0.51           N
ATOM     70  CA  CYS A   6       2.856  -7.920  -3.524  1.00  0.62           C
ATOM     71  C   CYS A   6       3.864  -8.908  -4.091  1.00  0.70           C
ATOM     72  O   CYS A   6       4.943  -8.517  -4.546  1.00  0.69           O
ATOM     73  CB  CYS A   6       2.651  -6.751  -4.490  1.00  0.61           C
ATOM     74  SG  CYS A   6       1.215  -5.694  -4.098  1.00  1.20           S
ATOM      0  H   CYS A   6       3.971  -6.668  -2.273  1.00  0.51           H   new
ATOM      0  HA  CYS A   6       1.892  -8.413  -3.396  1.00  0.62           H   new
ATOM      0  HB2 CYS A   6       3.550  -6.135  -4.493  1.00  0.61           H   new
ATOM      0  HB3 CYS A   6       2.532  -7.146  -5.499  1.00  0.61           H   new
ATOM     79  N   GLY A   7       3.525 -10.188  -4.033  1.00  0.85           N
ATOM     80  CA  GLY A   7       4.467 -11.215  -4.418  1.00  0.97           C
ATOM     81  C   GLY A   7       5.580 -11.342  -3.400  1.00  0.93           C
ATOM     82  O   GLY A   7       5.425 -12.012  -2.379  1.00  1.01           O
ATOM      0  H   GLY A   7       2.615 -10.532  -3.726  1.00  0.85           H   new
ATOM      0  HA2 GLY A   7       3.949 -12.169  -4.517  1.00  0.97           H   new
ATOM      0  HA3 GLY A   7       4.889 -10.979  -5.395  1.00  0.97           H   new
ATOM     86  N   LYS A   8       6.698 -10.688  -3.669  1.00  0.91           N
ATOM     87  CA  LYS A   8       7.797 -10.637  -2.719  1.00  0.94           C
ATOM     88  C   LYS A   8       8.244  -9.199  -2.492  1.00  0.79           C
ATOM     89  O   LYS A   8       9.160  -8.938  -1.710  1.00  0.86           O
ATOM     90  CB  LYS A   8       8.973 -11.491  -3.205  1.00  1.16           C
ATOM     91  CG  LYS A   8       9.592 -11.006  -4.508  1.00  1.65           C
ATOM     92  CD  LYS A   8      10.724 -11.917  -4.953  1.00  2.18           C
ATOM     93  CE  LYS A   8      11.364 -11.433  -6.246  1.00  3.07           C
ATOM     94  NZ  LYS A   8      12.095 -10.149  -6.068  1.00  3.65           N
ATOM      0  H   LYS A   8       6.869 -10.184  -4.539  1.00  0.91           H   new
ATOM      0  HA  LYS A   8       7.445 -11.043  -1.771  1.00  0.94           H   new
ATOM      0  HB2 LYS A   8       9.742 -11.506  -2.433  1.00  1.16           H   new
ATOM      0  HB3 LYS A   8       8.633 -12.518  -3.336  1.00  1.16           H   new
ATOM      0  HG2 LYS A   8       8.827 -10.966  -5.284  1.00  1.65           H   new
ATOM      0  HG3 LYS A   8       9.968  -9.991  -4.379  1.00  1.65           H   new
ATOM      0  HD2 LYS A   8      11.480 -11.966  -4.169  1.00  2.18           H   new
ATOM      0  HD3 LYS A   8      10.343 -12.929  -5.093  1.00  2.18           H   new
ATOM      0  HE2 LYS A   8      12.053 -12.193  -6.614  1.00  3.07           H   new
ATOM      0  HE3 LYS A   8      10.593 -11.307  -7.006  1.00  3.07           H   new
ATOM      0  HZ1 LYS A   8      12.625  -9.928  -6.935  1.00  3.65           H   new
ATOM      0  HZ2 LYS A   8      11.415  -9.386  -5.874  1.00  3.65           H   new
ATOM      0  HZ3 LYS A   8      12.757 -10.234  -5.270  1.00  3.65           H   new
ATOM    108  N   THR A   9       7.584  -8.265  -3.162  1.00  0.66           N
ATOM    109  CA  THR A   9       7.950  -6.863  -3.062  1.00  0.55           C
ATOM    110  C   THR A   9       7.147  -6.176  -1.964  1.00  0.42           C
ATOM    111  O   THR A   9       5.920  -6.305  -1.902  1.00  0.42           O
ATOM    112  CB  THR A   9       7.721  -6.128  -4.395  1.00  0.55           C
ATOM    113  OG1 THR A   9       8.247  -6.907  -5.475  1.00  0.72           O
ATOM    114  CG2 THR A   9       8.389  -4.762  -4.384  1.00  0.50           C
ATOM      0  H   THR A   9       6.794  -8.454  -3.779  1.00  0.66           H   new
ATOM      0  HA  THR A   9       9.011  -6.821  -2.817  1.00  0.55           H   new
ATOM      0  HB  THR A   9       6.648  -5.990  -4.528  1.00  0.55           H   new
ATOM      0  HG1 THR A   9       8.097  -6.436  -6.321  1.00  0.72           H   new
ATOM      0 HG21 THR A   9       8.213  -4.263  -5.337  1.00  0.50           H   new
ATOM      0 HG22 THR A   9       7.973  -4.160  -3.576  1.00  0.50           H   new
ATOM      0 HG23 THR A   9       9.461  -4.883  -4.231  1.00  0.50           H   new
ATOM    122  N   ILE A  10       7.843  -5.456  -1.099  1.00  0.39           N
ATOM    123  CA  ILE A  10       7.202  -4.769   0.010  1.00  0.32           C
ATOM    124  C   ILE A  10       6.554  -3.462  -0.456  1.00  0.24           C
ATOM    125  O   ILE A  10       7.232  -2.526  -0.896  1.00  0.31           O
ATOM    126  CB  ILE A  10       8.201  -4.508   1.168  1.00  0.46           C
ATOM    127  CG1 ILE A  10       7.536  -3.708   2.292  1.00  0.64           C
ATOM    128  CG2 ILE A  10       9.454  -3.802   0.664  1.00  0.56           C
ATOM    129  CD1 ILE A  10       8.416  -3.516   3.508  1.00  1.06           C
ATOM      0  H   ILE A  10       8.854  -5.332  -1.144  1.00  0.39           H   new
ATOM      0  HA  ILE A  10       6.416  -5.421   0.391  1.00  0.32           H   new
ATOM      0  HB  ILE A  10       8.503  -5.474   1.573  1.00  0.46           H   new
ATOM      0 HG12 ILE A  10       7.246  -2.730   1.907  1.00  0.64           H   new
ATOM      0 HG13 ILE A  10       6.620  -4.216   2.594  1.00  0.64           H   new
ATOM      0 HG21 ILE A  10      10.136  -3.632   1.497  1.00  0.56           H   new
ATOM      0 HG22 ILE A  10       9.945  -4.423  -0.086  1.00  0.56           H   new
ATOM      0 HG23 ILE A  10       9.179  -2.846   0.220  1.00  0.56           H   new
ATOM      0 HD11 ILE A  10       7.876  -2.941   4.260  1.00  1.06           H   new
ATOM      0 HD12 ILE A  10       8.686  -4.489   3.919  1.00  1.06           H   new
ATOM      0 HD13 ILE A  10       9.321  -2.980   3.221  1.00  1.06           H   new
ATOM    141  N   GLY A  11       5.231  -3.417  -0.377  1.00  0.22           N
ATOM    142  CA  GLY A  11       4.502  -2.236  -0.782  1.00  0.32           C
ATOM    143  C   GLY A  11       3.727  -1.631   0.367  1.00  0.28           C
ATOM    144  O   GLY A  11       3.566  -2.261   1.417  1.00  0.36           O
ATOM      0  H   GLY A  11       4.649  -4.183  -0.038  1.00  0.22           H   new
ATOM      0  HA2 GLY A  11       5.199  -1.498  -1.179  1.00  0.32           H   new
ATOM      0  HA3 GLY A  11       3.815  -2.492  -1.589  1.00  0.32           H   new
ATOM    148  N   ILE A  12       3.268  -0.408   0.181  1.00  0.25           N
ATOM    149  CA  ILE A  12       2.523   0.287   1.214  1.00  0.25           C
ATOM    150  C   ILE A  12       1.069   0.453   0.782  1.00  0.22           C
ATOM    151  O   ILE A  12       0.777   0.814  -0.364  1.00  0.22           O
ATOM    152  CB  ILE A  12       3.185   1.653   1.557  1.00  0.30           C
ATOM    153  CG1 ILE A  12       2.518   2.331   2.772  1.00  0.33           C
ATOM    154  CG2 ILE A  12       3.183   2.581   0.352  1.00  0.30           C
ATOM    155  CD1 ILE A  12       1.277   3.146   2.455  1.00  0.29           C
ATOM      0  H   ILE A  12       3.398   0.126  -0.678  1.00  0.25           H   new
ATOM      0  HA  ILE A  12       2.540  -0.310   2.126  1.00  0.25           H   new
ATOM      0  HB  ILE A  12       4.220   1.446   1.828  1.00  0.30           H   new
ATOM      0 HG12 ILE A  12       2.253   1.562   3.497  1.00  0.33           H   new
ATOM      0 HG13 ILE A  12       3.249   2.982   3.251  1.00  0.33           H   new
ATOM      0 HG21 ILE A  12       3.652   3.528   0.621  1.00  0.30           H   new
ATOM      0 HG22 ILE A  12       3.740   2.119  -0.464  1.00  0.30           H   new
ATOM      0 HG23 ILE A  12       2.156   2.762   0.034  1.00  0.30           H   new
ATOM      0 HD11 ILE A  12       0.883   3.581   3.373  1.00  0.29           H   new
ATOM      0 HD12 ILE A  12       1.534   3.943   1.757  1.00  0.29           H   new
ATOM      0 HD13 ILE A  12       0.522   2.500   2.007  1.00  0.29           H   new
ATOM    167  N   TYR A  13       0.165   0.156   1.701  1.00  0.24           N
ATOM    168  CA  TYR A  13      -1.260   0.177   1.428  1.00  0.23           C
ATOM    169  C   TYR A  13      -1.843   1.570   1.649  1.00  0.21           C
ATOM    170  O   TYR A  13      -2.003   2.018   2.786  1.00  0.26           O
ATOM    171  CB  TYR A  13      -1.958  -0.854   2.323  1.00  0.28           C
ATOM    172  CG  TYR A  13      -3.468  -0.760   2.339  1.00  0.32           C
ATOM    173  CD1 TYR A  13      -4.214  -0.840   1.169  1.00  0.53           C
ATOM    174  CD2 TYR A  13      -4.144  -0.586   3.539  1.00  0.49           C
ATOM    175  CE1 TYR A  13      -5.592  -0.747   1.198  1.00  0.65           C
ATOM    176  CE2 TYR A  13      -5.519  -0.494   3.574  1.00  0.61           C
ATOM    177  CZ  TYR A  13      -6.238  -0.576   2.404  1.00  0.64           C
ATOM    178  OH  TYR A  13      -7.606  -0.481   2.446  1.00  0.80           O
ATOM      0  H   TYR A  13       0.400  -0.107   2.658  1.00  0.24           H   new
ATOM      0  HA  TYR A  13      -1.425  -0.081   0.382  1.00  0.23           H   new
ATOM      0  HB2 TYR A  13      -1.673  -1.853   1.993  1.00  0.28           H   new
ATOM      0  HB3 TYR A  13      -1.590  -0.738   3.342  1.00  0.28           H   new
ATOM      0  HD1 TYR A  13      -3.709  -0.977   0.224  1.00  0.53           H   new
ATOM      0  HD2 TYR A  13      -3.584  -0.522   4.460  1.00  0.49           H   new
ATOM      0  HE1 TYR A  13      -6.160  -0.808   0.281  1.00  0.65           H   new
ATOM      0  HE2 TYR A  13      -6.030  -0.358   4.516  1.00  0.61           H   new
ATOM      0  HH  TYR A  13      -8.000  -1.185   1.889  1.00  0.80           H   new
ATOM    188  N   TRP A  14      -2.150   2.248   0.552  1.00  0.20           N
ATOM    189  CA  TRP A  14      -2.786   3.555   0.601  1.00  0.20           C
ATOM    190  C   TRP A  14      -4.301   3.413   0.631  1.00  0.21           C
ATOM    191  O   TRP A  14      -4.922   3.035  -0.361  1.00  0.27           O
ATOM    192  CB  TRP A  14      -2.376   4.401  -0.605  1.00  0.23           C
ATOM    193  CG  TRP A  14      -0.945   4.847  -0.573  1.00  0.23           C
ATOM    194  CD1 TRP A  14       0.125   4.225  -1.149  1.00  0.28           C
ATOM    195  CD2 TRP A  14      -0.431   6.021   0.065  1.00  0.28           C
ATOM    196  NE1 TRP A  14       1.272   4.943  -0.906  1.00  0.31           N
ATOM    197  CE2 TRP A  14       0.957   6.048  -0.163  1.00  0.31           C
ATOM    198  CE3 TRP A  14      -1.009   7.056   0.807  1.00  0.35           C
ATOM    199  CZ2 TRP A  14       1.773   7.067   0.321  1.00  0.40           C
ATOM    200  CZ3 TRP A  14      -0.199   8.065   1.287  1.00  0.45           C
ATOM    201  CH2 TRP A  14       1.179   8.064   1.041  1.00  0.47           C
ATOM      0  H   TRP A  14      -1.966   1.909  -0.392  1.00  0.20           H   new
ATOM      0  HA  TRP A  14      -2.457   4.053   1.513  1.00  0.20           H   new
ATOM      0  HB2 TRP A  14      -2.547   3.826  -1.515  1.00  0.23           H   new
ATOM      0  HB3 TRP A  14      -3.019   5.279  -0.657  1.00  0.23           H   new
ATOM      0  HD1 TRP A  14       0.078   3.305  -1.712  1.00  0.28           H   new
ATOM      0  HE1 TRP A  14       2.207   4.692  -1.228  1.00  0.31           H   new
ATOM      0  HE3 TRP A  14      -2.071   7.065   1.001  1.00  0.35           H   new
ATOM      0  HZ2 TRP A  14       2.837   7.069   0.134  1.00  0.40           H   new
ATOM      0  HZ3 TRP A  14      -0.635   8.868   1.862  1.00  0.45           H   new
ATOM      0  HH2 TRP A  14       1.786   8.869   1.429  1.00  0.47           H   new
ATOM    212  N   PHE A  15      -4.887   3.702   1.780  1.00  0.32           N
ATOM    213  CA  PHE A  15      -6.331   3.662   1.939  1.00  0.38           C
ATOM    214  C   PHE A  15      -6.907   5.061   1.775  1.00  0.41           C
ATOM    215  O   PHE A  15      -6.623   5.953   2.574  1.00  0.57           O
ATOM    216  CB  PHE A  15      -6.697   3.090   3.315  1.00  0.46           C
ATOM    217  CG  PHE A  15      -8.175   3.061   3.597  1.00  0.55           C
ATOM    218  CD1 PHE A  15      -8.993   2.115   3.001  1.00  0.65           C
ATOM    219  CD2 PHE A  15      -8.742   3.972   4.471  1.00  0.62           C
ATOM    220  CE1 PHE A  15     -10.347   2.082   3.269  1.00  0.75           C
ATOM    221  CE2 PHE A  15     -10.096   3.946   4.742  1.00  0.70           C
ATOM    222  CZ  PHE A  15     -10.900   2.999   4.140  1.00  0.75           C
ATOM      0  H   PHE A  15      -4.380   3.969   2.624  1.00  0.32           H   new
ATOM      0  HA  PHE A  15      -6.756   3.014   1.172  1.00  0.38           H   new
ATOM      0  HB2 PHE A  15      -6.304   2.076   3.391  1.00  0.46           H   new
ATOM      0  HB3 PHE A  15      -6.203   3.682   4.085  1.00  0.46           H   new
ATOM      0  HD1 PHE A  15      -8.566   1.395   2.319  1.00  0.65           H   new
ATOM      0  HD2 PHE A  15      -8.117   4.713   4.947  1.00  0.62           H   new
ATOM      0  HE1 PHE A  15     -10.973   1.339   2.797  1.00  0.75           H   new
ATOM      0  HE2 PHE A  15     -10.525   4.665   5.424  1.00  0.70           H   new
ATOM      0  HZ  PHE A  15     -11.959   2.976   4.350  1.00  0.75           H   new
ATOM    232  N   GLY A  16      -7.692   5.260   0.726  1.00  0.50           N
ATOM    233  CA  GLY A  16      -8.311   6.554   0.511  1.00  0.60           C
ATOM    234  C   GLY A  16      -8.067   7.105  -0.877  1.00  0.65           C
ATOM    235  O   GLY A  16      -8.759   8.023  -1.315  1.00  1.07           O
ATOM      0  H   GLY A  16      -7.911   4.554   0.023  1.00  0.50           H   new
ATOM      0  HA2 GLY A  16      -9.385   6.469   0.678  1.00  0.60           H   new
ATOM      0  HA3 GLY A  16      -7.929   7.260   1.248  1.00  0.60           H   new
ATOM    239  N   THR A  17      -7.087   6.550  -1.572  1.00  0.46           N
ATOM    240  CA  THR A  17      -6.770   6.999  -2.917  1.00  0.47           C
ATOM    241  C   THR A  17      -6.548   5.814  -3.846  1.00  0.50           C
ATOM    242  O   THR A  17      -6.249   4.708  -3.397  1.00  0.57           O
ATOM    243  CB  THR A  17      -5.521   7.913  -2.938  1.00  0.48           C
ATOM    244  OG1 THR A  17      -5.248   8.338  -4.280  1.00  0.56           O
ATOM    245  CG2 THR A  17      -4.295   7.203  -2.373  1.00  0.47           C
ATOM      0  H   THR A  17      -6.499   5.790  -1.228  1.00  0.46           H   new
ATOM      0  HA  THR A  17      -7.625   7.577  -3.268  1.00  0.47           H   new
ATOM      0  HB  THR A  17      -5.734   8.778  -2.310  1.00  0.48           H   new
ATOM      0  HG1 THR A  17      -4.279   8.360  -4.425  1.00  0.56           H   new
ATOM      0 HG21 THR A  17      -3.438   7.876  -2.404  1.00  0.47           H   new
ATOM      0 HG22 THR A  17      -4.488   6.909  -1.341  1.00  0.47           H   new
ATOM      0 HG23 THR A  17      -4.081   6.316  -2.969  1.00  0.47           H   new
ATOM    253  N   LYS A  18      -6.729   6.051  -5.138  1.00  0.58           N
ATOM    254  CA  LYS A  18      -6.478   5.041  -6.155  1.00  0.69           C
ATOM    255  C   LYS A  18      -5.212   5.385  -6.924  1.00  0.64           C
ATOM    256  O   LYS A  18      -4.832   4.688  -7.866  1.00  0.71           O
ATOM    257  CB  LYS A  18      -7.644   4.968  -7.139  1.00  0.91           C
ATOM    258  CG  LYS A  18      -8.993   4.714  -6.493  1.00  1.70           C
ATOM    259  CD  LYS A  18     -10.101   4.773  -7.526  1.00  2.32           C
ATOM    260  CE  LYS A  18     -11.464   4.541  -6.904  1.00  3.29           C
ATOM    261  NZ  LYS A  18     -12.542   4.634  -7.916  1.00  3.98           N
ATOM      0  H   LYS A  18      -7.052   6.945  -5.509  1.00  0.58           H   new
ATOM      0  HA  LYS A  18      -6.364   4.078  -5.657  1.00  0.69           H   new
ATOM      0  HB2 LYS A  18      -7.692   5.903  -7.697  1.00  0.91           H   new
ATOM      0  HB3 LYS A  18      -7.445   4.176  -7.861  1.00  0.91           H   new
ATOM      0  HG2 LYS A  18      -8.992   3.737  -6.009  1.00  1.70           H   new
ATOM      0  HG3 LYS A  18      -9.175   5.455  -5.715  1.00  1.70           H   new
ATOM      0  HD2 LYS A  18     -10.087   5.745  -8.019  1.00  2.32           H   new
ATOM      0  HD3 LYS A  18      -9.920   4.023  -8.296  1.00  2.32           H   new
ATOM      0  HE2 LYS A  18     -11.488   3.558  -6.433  1.00  3.29           H   new
ATOM      0  HE3 LYS A  18     -11.637   5.276  -6.117  1.00  3.29           H   new
ATOM      0  HZ1 LYS A  18     -13.462   4.471  -7.459  1.00  3.98           H   new
ATOM      0  HZ2 LYS A  18     -12.533   5.580  -8.347  1.00  3.98           H   new
ATOM      0  HZ3 LYS A  18     -12.389   3.916  -8.653  1.00  3.98           H   new
ATOM    275  N   THR A  19      -4.579   6.483  -6.546  1.00  0.62           N
ATOM    276  CA  THR A  19      -3.401   6.950  -7.250  1.00  0.69           C
ATOM    277  C   THR A  19      -2.176   6.934  -6.343  1.00  0.60           C
ATOM    278  O   THR A  19      -2.152   7.609  -5.313  1.00  0.89           O
ATOM    279  CB  THR A  19      -3.609   8.379  -7.786  1.00  0.84           C
ATOM    280  OG1 THR A  19      -4.870   8.473  -8.467  1.00  1.60           O
ATOM    281  CG2 THR A  19      -2.486   8.770  -8.740  1.00  1.50           C
ATOM      0  H   THR A  19      -4.862   7.065  -5.757  1.00  0.62           H   new
ATOM      0  HA  THR A  19      -3.237   6.271  -8.086  1.00  0.69           H   new
ATOM      0  HB  THR A  19      -3.602   9.063  -6.937  1.00  0.84           H   new
ATOM      0  HG1 THR A  19      -4.993   9.386  -8.802  1.00  1.60           H   new
ATOM      0 HG21 THR A  19      -2.655   9.783  -9.105  1.00  1.50           H   new
ATOM      0 HG22 THR A  19      -1.532   8.728  -8.215  1.00  1.50           H   new
ATOM      0 HG23 THR A  19      -2.467   8.079  -9.583  1.00  1.50           H   new
ATOM    289  N   CYS A  20      -1.173   6.155  -6.724  1.00  0.60           N
ATOM    290  CA  CYS A  20       0.095   6.144  -6.011  1.00  0.62           C
ATOM    291  C   CYS A  20       0.727   7.527  -6.067  1.00  0.52           C
ATOM    292  O   CYS A  20       0.974   8.055  -7.156  1.00  0.65           O
ATOM    293  CB  CYS A  20       1.055   5.121  -6.620  1.00  0.87           C
ATOM    294  SG  CYS A  20       0.472   3.399  -6.535  1.00  0.91           S
ATOM      0  H   CYS A  20      -1.214   5.523  -7.523  1.00  0.60           H   new
ATOM      0  HA  CYS A  20      -0.097   5.867  -4.975  1.00  0.62           H   new
ATOM      0  HB2 CYS A  20       1.230   5.381  -7.664  1.00  0.87           H   new
ATOM      0  HB3 CYS A  20       2.015   5.192  -6.109  1.00  0.87           H   new
ATOM    299  N   PRO A  21       0.967   8.141  -4.899  1.00  0.45           N
ATOM    300  CA  PRO A  21       1.592   9.461  -4.815  1.00  0.56           C
ATOM    301  C   PRO A  21       2.910   9.495  -5.583  1.00  0.71           C
ATOM    302  O   PRO A  21       3.905   8.903  -5.164  1.00  0.82           O
ATOM    303  CB  PRO A  21       1.823   9.660  -3.313  1.00  0.62           C
ATOM    304  CG  PRO A  21       0.840   8.754  -2.644  1.00  0.51           C
ATOM    305  CD  PRO A  21       0.644   7.588  -3.572  1.00  0.49           C
ATOM      0  HA  PRO A  21       0.977  10.247  -5.254  1.00  0.56           H   new
ATOM      0  HB2 PRO A  21       2.846   9.406  -3.035  1.00  0.62           H   new
ATOM      0  HB3 PRO A  21       1.662  10.699  -3.024  1.00  0.62           H   new
ATOM      0  HG2 PRO A  21       1.214   8.422  -1.675  1.00  0.51           H   new
ATOM      0  HG3 PRO A  21      -0.103   9.269  -2.462  1.00  0.51           H   new
ATOM      0  HD2 PRO A  21       1.300   6.756  -3.314  1.00  0.49           H   new
ATOM      0  HD3 PRO A  21      -0.378   7.212  -3.533  1.00  0.49           H   new
ATOM    313  N   SER A  22       2.904  10.189  -6.717  1.00  0.99           N
ATOM    314  CA  SER A  22       4.037  10.186  -7.634  1.00  1.26           C
ATOM    315  C   SER A  22       5.155  11.116  -7.162  1.00  1.32           C
ATOM    316  O   SER A  22       5.822  11.770  -7.961  1.00  1.83           O
ATOM    317  CB  SER A  22       3.556  10.588  -9.028  1.00  1.68           C
ATOM    318  OG  SER A  22       2.403   9.840  -9.394  1.00  2.07           O
ATOM      0  H   SER A  22       2.120  10.765  -7.024  1.00  0.99           H   new
ATOM      0  HA  SER A  22       4.453   9.179  -7.664  1.00  1.26           H   new
ATOM      0  HB2 SER A  22       3.326  11.653  -9.046  1.00  1.68           H   new
ATOM      0  HB3 SER A  22       4.351  10.421  -9.755  1.00  1.68           H   new
ATOM      0  HG  SER A  22       2.107  10.111 -10.288  1.00  2.07           H   new
ATOM    324  N   ASN A  23       5.353  11.164  -5.857  1.00  1.04           N
ATOM    325  CA  ASN A  23       6.404  11.974  -5.260  1.00  1.20           C
ATOM    326  C   ASN A  23       7.302  11.090  -4.404  1.00  1.07           C
ATOM    327  O   ASN A  23       8.096  11.573  -3.598  1.00  1.27           O
ATOM    328  CB  ASN A  23       5.795  13.109  -4.423  1.00  1.39           C
ATOM    329  CG  ASN A  23       4.973  12.608  -3.247  1.00  1.32           C
ATOM    330  OD1 ASN A  23       4.455  11.493  -3.259  1.00  1.83           O
ATOM    331  ND2 ASN A  23       4.819  13.440  -2.229  1.00  1.61           N
ATOM      0  H   ASN A  23       4.792  10.645  -5.181  1.00  1.04           H   new
ATOM      0  HA  ASN A  23       7.004  12.426  -6.050  1.00  1.20           H   new
ATOM      0  HB2 ASN A  23       6.596  13.749  -4.052  1.00  1.39           H   new
ATOM      0  HB3 ASN A  23       5.164  13.726  -5.063  1.00  1.39           H   new
ATOM      0 HD21 ASN A  23       4.257  13.163  -1.424  1.00  1.61           H   new
ATOM      0 HD22 ASN A  23       5.262  14.359  -2.250  1.00  1.61           H   new
ATOM    338  N   ARG A  24       7.155   9.784  -4.583  1.00  0.95           N
ATOM    339  CA  ARG A  24       7.963   8.811  -3.865  1.00  1.02           C
ATOM    340  C   ARG A  24       8.963   8.140  -4.801  1.00  1.13           C
ATOM    341  O   ARG A  24      10.154   8.450  -4.793  1.00  1.71           O
ATOM    342  CB  ARG A  24       7.078   7.736  -3.225  1.00  1.06           C
ATOM    343  CG  ARG A  24       6.777   7.946  -1.750  1.00  1.42           C
ATOM    344  CD  ARG A  24       5.948   9.191  -1.493  1.00  1.41           C
ATOM    345  NE  ARG A  24       5.447   9.221  -0.119  1.00  2.03           N
ATOM    346  CZ  ARG A  24       5.134  10.332   0.543  1.00  2.71           C
ATOM    347  NH1 ARG A  24       5.336  11.522  -0.009  1.00  3.19           N
ATOM    348  NH2 ARG A  24       4.635  10.250   1.768  1.00  3.39           N
ATOM      0  H   ARG A  24       6.477   9.373  -5.225  1.00  0.95           H   new
ATOM      0  HA  ARG A  24       8.504   9.346  -3.084  1.00  1.02           H   new
ATOM      0  HB2 ARG A  24       6.135   7.691  -3.770  1.00  1.06           H   new
ATOM      0  HB3 ARG A  24       7.563   6.767  -3.347  1.00  1.06           H   new
ATOM      0  HG2 ARG A  24       6.247   7.075  -1.364  1.00  1.42           H   new
ATOM      0  HG3 ARG A  24       7.715   8.019  -1.199  1.00  1.42           H   new
ATOM      0  HD2 ARG A  24       6.552  10.078  -1.682  1.00  1.41           H   new
ATOM      0  HD3 ARG A  24       5.110   9.222  -2.189  1.00  1.41           H   new
ATOM      0  HE  ARG A  24       5.330   8.330   0.364  1.00  2.03           H   new
ATOM      0 HH11 ARG A  24       5.733  11.589  -0.946  1.00  3.19           H   new
ATOM      0 HH12 ARG A  24       5.094  12.370   0.504  1.00  3.19           H   new
ATOM      0 HH21 ARG A  24       4.492   9.337   2.200  1.00  3.39           H   new
ATOM      0 HH22 ARG A  24       4.394  11.100   2.278  1.00  3.39           H   new
ATOM    362  N   GLY A  25       8.449   7.247  -5.635  1.00  0.93           N
ATOM    363  CA  GLY A  25       9.290   6.442  -6.494  1.00  1.10           C
ATOM    364  C   GLY A  25       8.724   5.045  -6.682  1.00  0.81           C
ATOM    365  O   GLY A  25       9.468   4.081  -6.856  1.00  0.78           O
ATOM      0  H   GLY A  25       7.450   7.065  -5.731  1.00  0.93           H   new
ATOM      0  HA2 GLY A  25       9.391   6.928  -7.464  1.00  1.10           H   new
ATOM      0  HA3 GLY A  25      10.290   6.375  -6.066  1.00  1.10           H   new
ATOM    369  N   TYR A  26       7.400   4.940  -6.644  1.00  0.71           N
ATOM    370  CA  TYR A  26       6.727   3.655  -6.787  1.00  0.50           C
ATOM    371  C   TYR A  26       6.848   3.144  -8.216  1.00  0.49           C
ATOM    372  O   TYR A  26       6.930   3.927  -9.163  1.00  0.71           O
ATOM    373  CB  TYR A  26       5.248   3.779  -6.408  1.00  0.51           C
ATOM    374  CG  TYR A  26       5.020   4.239  -4.987  1.00  0.93           C
ATOM    375  CD1 TYR A  26       5.533   3.518  -3.916  1.00  1.52           C
ATOM    376  CD2 TYR A  26       4.279   5.382  -4.714  1.00  1.20           C
ATOM    377  CE1 TYR A  26       5.323   3.926  -2.614  1.00  2.35           C
ATOM    378  CE2 TYR A  26       4.066   5.799  -3.413  1.00  2.02           C
ATOM    379  CZ  TYR A  26       4.587   5.065  -2.369  1.00  2.61           C
ATOM    380  OH  TYR A  26       4.373   5.473  -1.073  1.00  3.45           O
ATOM      0  H   TYR A  26       6.770   5.732  -6.515  1.00  0.71           H   new
ATOM      0  HA  TYR A  26       7.208   2.944  -6.115  1.00  0.50           H   new
ATOM      0  HB2 TYR A  26       4.765   4.480  -7.089  1.00  0.51           H   new
ATOM      0  HB3 TYR A  26       4.764   2.813  -6.550  1.00  0.51           H   new
ATOM      0  HD1 TYR A  26       6.106   2.622  -4.105  1.00  1.52           H   new
ATOM      0  HD2 TYR A  26       3.863   5.954  -5.530  1.00  1.20           H   new
ATOM      0  HE1 TYR A  26       5.733   3.356  -1.793  1.00  2.35           H   new
ATOM      0  HE2 TYR A  26       3.495   6.694  -3.216  1.00  2.02           H   new
ATOM      0  HH  TYR A  26       5.129   5.196  -0.514  1.00  3.45           H   new
ATOM    390  N   THR A  27       6.869   1.830  -8.364  1.00  0.41           N
ATOM    391  CA  THR A  27       6.969   1.211  -9.673  1.00  0.53           C
ATOM    392  C   THR A  27       5.670   0.485 -10.024  1.00  0.45           C
ATOM    393  O   THR A  27       5.131   0.647 -11.118  1.00  0.67           O
ATOM    394  CB  THR A  27       8.144   0.218  -9.723  1.00  0.66           C
ATOM    395  OG1 THR A  27       9.326   0.849  -9.210  1.00  1.18           O
ATOM    396  CG2 THR A  27       8.398  -0.259 -11.148  1.00  1.33           C
ATOM      0  H   THR A  27       6.818   1.169  -7.589  1.00  0.41           H   new
ATOM      0  HA  THR A  27       7.146   2.002 -10.402  1.00  0.53           H   new
ATOM      0  HB  THR A  27       7.889  -0.648  -9.112  1.00  0.66           H   new
ATOM      0  HG1 THR A  27      10.074   0.216  -9.240  1.00  1.18           H   new
ATOM      0 HG21 THR A  27       9.233  -0.959 -11.154  1.00  1.33           H   new
ATOM      0 HG22 THR A  27       7.506  -0.755 -11.530  1.00  1.33           H   new
ATOM      0 HG23 THR A  27       8.637   0.596 -11.781  1.00  1.33           H   new
ATOM    404  N   GLY A  28       5.153  -0.287  -9.076  1.00  0.29           N
ATOM    405  CA  GLY A  28       3.952  -1.057  -9.330  1.00  0.31           C
ATOM    406  C   GLY A  28       2.910  -0.857  -8.252  1.00  0.29           C
ATOM    407  O   GLY A  28       3.232  -0.419  -7.145  1.00  0.35           O
ATOM      0  H   GLY A  28       5.543  -0.393  -8.139  1.00  0.29           H   new
ATOM      0  HA2 GLY A  28       3.535  -0.769 -10.295  1.00  0.31           H   new
ATOM      0  HA3 GLY A  28       4.207  -2.115  -9.396  1.00  0.31           H   new
ATOM    411  N   SER A  29       1.664  -1.179  -8.564  1.00  0.31           N
ATOM    412  CA  SER A  29       0.586  -1.007  -7.612  1.00  0.34           C
ATOM    413  C   SER A  29      -0.427  -2.144  -7.694  1.00  0.37           C
ATOM    414  O   SER A  29      -0.815  -2.573  -8.781  1.00  0.52           O
ATOM    415  CB  SER A  29      -0.099   0.337  -7.848  1.00  0.43           C
ATOM    416  OG  SER A  29      -0.493   0.491  -9.204  1.00  0.96           O
ATOM      0  H   SER A  29       1.378  -1.559  -9.466  1.00  0.31           H   new
ATOM      0  HA  SER A  29       1.013  -1.025  -6.609  1.00  0.34           H   new
ATOM      0  HB2 SER A  29      -0.974   0.419  -7.203  1.00  0.43           H   new
ATOM      0  HB3 SER A  29       0.578   1.145  -7.571  1.00  0.43           H   new
ATOM      0  HG  SER A  29      -0.930   1.360  -9.321  1.00  0.96           H   new
ATOM    422  N   CYS A  30      -0.841  -2.626  -6.534  1.00  0.34           N
ATOM    423  CA  CYS A  30      -1.830  -3.688  -6.445  1.00  0.40           C
ATOM    424  C   CYS A  30      -3.158  -3.123  -5.961  1.00  0.37           C
ATOM    425  O   CYS A  30      -3.208  -2.421  -4.947  1.00  0.43           O
ATOM    426  CB  CYS A  30      -1.347  -4.772  -5.476  1.00  0.55           C
ATOM    427  SG  CYS A  30       0.280  -5.483  -5.892  1.00  1.01           S
ATOM      0  H   CYS A  30      -0.503  -2.294  -5.631  1.00  0.34           H   new
ATOM      0  HA  CYS A  30      -1.967  -4.126  -7.434  1.00  0.40           H   new
ATOM      0  HB2 CYS A  30      -1.300  -4.350  -4.472  1.00  0.55           H   new
ATOM      0  HB3 CYS A  30      -2.085  -5.574  -5.450  1.00  0.55           H   new
ATOM    432  N   GLY A  31      -4.227  -3.410  -6.693  1.00  0.39           N
ATOM    433  CA  GLY A  31      -5.544  -2.974  -6.280  1.00  0.40           C
ATOM    434  C   GLY A  31      -6.017  -3.732  -5.058  1.00  0.40           C
ATOM    435  O   GLY A  31      -6.390  -4.900  -5.152  1.00  0.49           O
ATOM      0  H   GLY A  31      -4.204  -3.937  -7.566  1.00  0.39           H   new
ATOM      0  HA2 GLY A  31      -5.524  -1.906  -6.063  1.00  0.40           H   new
ATOM      0  HA3 GLY A  31      -6.250  -3.120  -7.097  1.00  0.40           H   new
ATOM    439  N   TYR A  32      -6.006  -3.071  -3.914  1.00  0.38           N
ATOM    440  CA  TYR A  32      -6.301  -3.730  -2.654  1.00  0.42           C
ATOM    441  C   TYR A  32      -7.692  -3.337  -2.168  1.00  0.42           C
ATOM    442  O   TYR A  32      -8.337  -2.469  -2.761  1.00  0.41           O
ATOM    443  CB  TYR A  32      -5.237  -3.366  -1.611  1.00  0.47           C
ATOM    444  CG  TYR A  32      -5.006  -4.444  -0.571  1.00  0.63           C
ATOM    445  CD1 TYR A  32      -4.298  -5.594  -0.897  1.00  1.00           C
ATOM    446  CD2 TYR A  32      -5.493  -4.318   0.725  1.00  0.97           C
ATOM    447  CE1 TYR A  32      -4.080  -6.585   0.038  1.00  1.29           C
ATOM    448  CE2 TYR A  32      -5.277  -5.306   1.667  1.00  1.30           C
ATOM    449  CZ  TYR A  32      -4.572  -6.439   1.316  1.00  1.34           C
ATOM    450  OH  TYR A  32      -4.355  -7.428   2.246  1.00  1.75           O
ATOM      0  H   TYR A  32      -5.796  -2.076  -3.832  1.00  0.38           H   new
ATOM      0  HA  TYR A  32      -6.284  -4.810  -2.803  1.00  0.42           H   new
ATOM      0  HB2 TYR A  32      -4.297  -3.160  -2.122  1.00  0.47           H   new
ATOM      0  HB3 TYR A  32      -5.535  -2.446  -1.107  1.00  0.47           H   new
ATOM      0  HD1 TYR A  32      -3.912  -5.714  -1.898  1.00  1.00           H   new
ATOM      0  HD2 TYR A  32      -6.049  -3.434   1.000  1.00  0.97           H   new
ATOM      0  HE1 TYR A  32      -3.526  -7.472  -0.231  1.00  1.29           H   new
ATOM      0  HE2 TYR A  32      -5.658  -5.192   2.671  1.00  1.30           H   new
ATOM      0  HH  TYR A  32      -4.765  -7.171   3.098  1.00  1.75           H   new
ATOM    460  N   PHE A  33      -8.147  -3.977  -1.097  1.00  0.48           N
ATOM    461  CA  PHE A  33      -9.471  -3.720  -0.537  1.00  0.54           C
ATOM    462  C   PHE A  33      -9.674  -2.241  -0.232  1.00  0.56           C
ATOM    463  O   PHE A  33      -9.161  -1.733   0.764  1.00  1.24           O
ATOM    464  CB  PHE A  33      -9.683  -4.538   0.738  1.00  0.64           C
ATOM    465  CG  PHE A  33      -9.804  -6.010   0.492  1.00  1.00           C
ATOM    466  CD1 PHE A  33     -11.031  -6.569   0.173  1.00  1.18           C
ATOM    467  CD2 PHE A  33      -8.697  -6.835   0.578  1.00  1.38           C
ATOM    468  CE1 PHE A  33     -11.151  -7.922  -0.057  1.00  1.63           C
ATOM    469  CE2 PHE A  33      -8.811  -8.193   0.350  1.00  1.86           C
ATOM    470  CZ  PHE A  33     -10.041  -8.736   0.031  1.00  1.96           C
ATOM      0  H   PHE A  33      -7.613  -4.685  -0.594  1.00  0.48           H   new
ATOM      0  HA  PHE A  33     -10.203  -4.020  -1.287  1.00  0.54           H   new
ATOM      0  HB2 PHE A  33      -8.850  -4.359   1.417  1.00  0.64           H   new
ATOM      0  HB3 PHE A  33     -10.585  -4.186   1.240  1.00  0.64           H   new
ATOM      0  HD1 PHE A  33     -11.904  -5.937   0.104  1.00  1.18           H   new
ATOM      0  HD2 PHE A  33      -7.734  -6.413   0.826  1.00  1.38           H   new
ATOM      0  HE1 PHE A  33     -12.113  -8.345  -0.306  1.00  1.63           H   new
ATOM      0  HE2 PHE A  33      -7.941  -8.829   0.421  1.00  1.86           H   new
ATOM      0  HZ  PHE A  33     -10.133  -9.797  -0.149  1.00  1.96           H   new
ATOM    480  N   LEU A  34     -10.409  -1.570  -1.115  1.00  0.56           N
ATOM    481  CA  LEU A  34     -10.767  -0.164  -0.958  1.00  0.53           C
ATOM    482  C   LEU A  34      -9.516   0.716  -0.844  1.00  0.43           C
ATOM    483  O   LEU A  34      -9.540   1.783  -0.225  1.00  0.49           O
ATOM    484  CB  LEU A  34     -11.678   0.005   0.268  1.00  0.63           C
ATOM    485  CG  LEU A  34     -12.549   1.260   0.280  1.00  0.92           C
ATOM    486  CD1 LEU A  34     -13.429   1.305  -0.960  1.00  1.75           C
ATOM    487  CD2 LEU A  34     -13.405   1.286   1.537  1.00  1.57           C
ATOM      0  H   LEU A  34     -10.776  -1.992  -1.968  1.00  0.56           H   new
ATOM      0  HA  LEU A  34     -11.310   0.161  -1.845  1.00  0.53           H   new
ATOM      0  HB2 LEU A  34     -12.329  -0.867   0.337  1.00  0.63           H   new
ATOM      0  HB3 LEU A  34     -11.055   0.009   1.162  1.00  0.63           H   new
ATOM      0  HG  LEU A  34     -11.902   2.137   0.276  1.00  0.92           H   new
ATOM      0 HD11 LEU A  34     -14.044   2.205  -0.937  1.00  1.75           H   new
ATOM      0 HD12 LEU A  34     -12.802   1.317  -1.851  1.00  1.75           H   new
ATOM      0 HD13 LEU A  34     -14.073   0.426  -0.981  1.00  1.75           H   new
ATOM      0 HD21 LEU A  34     -14.023   2.184   1.538  1.00  1.57           H   new
ATOM      0 HD22 LEU A  34     -14.046   0.404   1.559  1.00  1.57           H   new
ATOM      0 HD23 LEU A  34     -12.761   1.288   2.416  1.00  1.57           H   new
ATOM    499  N   GLY A  35      -8.429   0.262  -1.456  1.00  0.34           N
ATOM    500  CA  GLY A  35      -7.182   0.996  -1.405  1.00  0.34           C
ATOM    501  C   GLY A  35      -6.199   0.500  -2.441  1.00  0.28           C
ATOM    502  O   GLY A  35      -6.538  -0.344  -3.270  1.00  0.33           O
ATOM      0  H   GLY A  35      -8.391  -0.607  -1.989  1.00  0.34           H   new
ATOM      0  HA2 GLY A  35      -7.377   2.056  -1.566  1.00  0.34           H   new
ATOM      0  HA3 GLY A  35      -6.743   0.900  -0.412  1.00  0.34           H   new
ATOM    506  N   ILE A  36      -4.980   1.003  -2.401  1.00  0.24           N
ATOM    507  CA  ILE A  36      -3.983   0.614  -3.382  1.00  0.23           C
ATOM    508  C   ILE A  36      -2.630   0.346  -2.726  1.00  0.22           C
ATOM    509  O   ILE A  36      -2.128   1.153  -1.943  1.00  0.26           O
ATOM    510  CB  ILE A  36      -3.853   1.687  -4.492  1.00  0.27           C
ATOM    511  CG1 ILE A  36      -2.863   1.236  -5.569  1.00  0.29           C
ATOM    512  CG2 ILE A  36      -3.435   3.031  -3.910  1.00  0.31           C
ATOM    513  CD1 ILE A  36      -2.785   2.186  -6.746  1.00  0.37           C
ATOM      0  H   ILE A  36      -4.657   1.676  -1.706  1.00  0.24           H   new
ATOM      0  HA  ILE A  36      -4.318  -0.315  -3.842  1.00  0.23           H   new
ATOM      0  HB  ILE A  36      -4.833   1.810  -4.954  1.00  0.27           H   new
ATOM      0 HG12 ILE A  36      -1.873   1.137  -5.124  1.00  0.29           H   new
ATOM      0 HG13 ILE A  36      -3.151   0.248  -5.927  1.00  0.29           H   new
ATOM      0 HG21 ILE A  36      -3.352   3.765  -4.712  1.00  0.31           H   new
ATOM      0 HG22 ILE A  36      -4.182   3.364  -3.190  1.00  0.31           H   new
ATOM      0 HG23 ILE A  36      -2.471   2.928  -3.411  1.00  0.31           H   new
ATOM      0 HD11 ILE A  36      -2.066   1.807  -7.472  1.00  0.37           H   new
ATOM      0 HD12 ILE A  36      -3.766   2.266  -7.215  1.00  0.37           H   new
ATOM      0 HD13 ILE A  36      -2.467   3.169  -6.399  1.00  0.37           H   new
ATOM    525  N   CYS A  37      -2.062  -0.811  -3.023  1.00  0.24           N
ATOM    526  CA  CYS A  37      -0.751  -1.177  -2.511  1.00  0.27           C
ATOM    527  C   CYS A  37       0.334  -0.762  -3.490  1.00  0.24           C
ATOM    528  O   CYS A  37       0.539  -1.413  -4.513  1.00  0.33           O
ATOM    529  CB  CYS A  37      -0.679  -2.686  -2.256  1.00  0.37           C
ATOM    530  SG  CYS A  37      -1.448  -3.217  -0.694  1.00  1.11           S
ATOM      0  H   CYS A  37      -2.492  -1.518  -3.620  1.00  0.24           H   new
ATOM      0  HA  CYS A  37      -0.592  -0.654  -1.568  1.00  0.27           H   new
ATOM      0  HB2 CYS A  37      -1.164  -3.206  -3.082  1.00  0.37           H   new
ATOM      0  HB3 CYS A  37       0.367  -2.994  -2.256  1.00  0.37           H   new
ATOM    535  N   CYS A  38       1.017   0.324  -3.185  1.00  0.23           N
ATOM    536  CA  CYS A  38       2.051   0.846  -4.066  1.00  0.25           C
ATOM    537  C   CYS A  38       3.431   0.391  -3.600  1.00  0.20           C
ATOM    538  O   CYS A  38       3.803   0.600  -2.444  1.00  0.21           O
ATOM    539  CB  CYS A  38       1.981   2.374  -4.101  1.00  0.35           C
ATOM    540  SG  CYS A  38       0.337   3.026  -4.544  1.00  1.14           S
ATOM      0  H   CYS A  38       0.876   0.865  -2.332  1.00  0.23           H   new
ATOM      0  HA  CYS A  38       1.883   0.459  -5.071  1.00  0.25           H   new
ATOM      0  HB2 CYS A  38       2.265   2.764  -3.123  1.00  0.35           H   new
ATOM      0  HB3 CYS A  38       2.714   2.746  -4.817  1.00  0.35           H   new
ATOM    545  N   TYR A  39       4.186  -0.236  -4.491  1.00  0.21           N
ATOM    546  CA  TYR A  39       5.511  -0.733  -4.149  1.00  0.21           C
ATOM    547  C   TYR A  39       6.553  -0.253  -5.152  1.00  0.25           C
ATOM    548  O   TYR A  39       6.223   0.073  -6.298  1.00  0.29           O
ATOM    549  CB  TYR A  39       5.515  -2.265  -4.070  1.00  0.24           C
ATOM    550  CG  TYR A  39       5.069  -2.974  -5.333  1.00  0.28           C
ATOM    551  CD1 TYR A  39       5.963  -3.232  -6.368  1.00  0.36           C
ATOM    552  CD2 TYR A  39       3.762  -3.416  -5.474  1.00  0.33           C
ATOM    553  CE1 TYR A  39       5.561  -3.902  -7.508  1.00  0.45           C
ATOM    554  CE2 TYR A  39       3.356  -4.092  -6.608  1.00  0.41           C
ATOM    555  CZ  TYR A  39       4.257  -4.336  -7.621  1.00  0.46           C
ATOM    556  OH  TYR A  39       3.856  -5.020  -8.747  1.00  0.57           O
ATOM      0  H   TYR A  39       3.904  -0.412  -5.455  1.00  0.21           H   new
ATOM      0  HA  TYR A  39       5.772  -0.334  -3.169  1.00  0.21           H   new
ATOM      0  HB2 TYR A  39       6.523  -2.598  -3.821  1.00  0.24           H   new
ATOM      0  HB3 TYR A  39       4.866  -2.573  -3.250  1.00  0.24           H   new
ATOM      0  HD1 TYR A  39       6.988  -2.903  -6.279  1.00  0.36           H   new
ATOM      0  HD2 TYR A  39       3.050  -3.229  -4.684  1.00  0.33           H   new
ATOM      0  HE1 TYR A  39       6.265  -4.085  -8.307  1.00  0.45           H   new
ATOM      0  HE2 TYR A  39       2.334  -4.429  -6.700  1.00  0.41           H   new
ATOM      0  HH  TYR A  39       2.908  -5.255  -8.667  1.00  0.57           H   new
ATOM    566  N   PRO A  40       7.831  -0.202  -4.741  1.00  0.28           N
ATOM    567  CA  PRO A  40       8.262  -0.540  -3.379  1.00  0.27           C
ATOM    568  C   PRO A  40       8.027   0.605  -2.393  1.00  0.31           C
ATOM    569  O   PRO A  40       7.811   1.750  -2.794  1.00  0.48           O
ATOM    570  CB  PRO A  40       9.772  -0.801  -3.530  1.00  0.45           C
ATOM    571  CG  PRO A  40      10.081  -0.652  -4.990  1.00  0.46           C
ATOM    572  CD  PRO A  40       8.969   0.166  -5.579  1.00  0.36           C
ATOM      0  HA  PRO A  40       7.704  -1.387  -2.980  1.00  0.27           H   new
ATOM      0  HB2 PRO A  40      10.350  -0.093  -2.936  1.00  0.45           H   new
ATOM      0  HB3 PRO A  40      10.031  -1.799  -3.178  1.00  0.45           H   new
ATOM      0  HG2 PRO A  40      11.043  -0.160  -5.135  1.00  0.46           H   new
ATOM      0  HG3 PRO A  40      10.145  -1.626  -5.475  1.00  0.46           H   new
ATOM      0  HD2 PRO A  40       9.181   1.234  -5.530  1.00  0.36           H   new
ATOM      0  HD3 PRO A  40       8.797  -0.077  -6.627  1.00  0.36           H   new
ATOM    580  N   VAL A  41       8.044   0.282  -1.100  1.00  0.32           N
ATOM    581  CA  VAL A  41       7.924   1.292  -0.050  1.00  0.50           C
ATOM    582  C   VAL A  41       9.137   2.215  -0.060  1.00  0.62           C
ATOM    583  O   VAL A  41      10.184   1.889   0.505  1.00  0.74           O
ATOM    584  CB  VAL A  41       7.794   0.652   1.352  1.00  0.68           C
ATOM    585  CG1 VAL A  41       7.655   1.716   2.429  1.00  1.31           C
ATOM    586  CG2 VAL A  41       6.618  -0.303   1.404  1.00  1.13           C
ATOM      0  H   VAL A  41       8.140  -0.673  -0.755  1.00  0.32           H   new
ATOM      0  HA  VAL A  41       7.018   1.862  -0.257  1.00  0.50           H   new
ATOM      0  HB  VAL A  41       8.707   0.088   1.543  1.00  0.68           H   new
ATOM      0 HG11 VAL A  41       7.565   1.237   3.404  1.00  1.31           H   new
ATOM      0 HG12 VAL A  41       8.535   2.360   2.420  1.00  1.31           H   new
ATOM      0 HG13 VAL A  41       6.765   2.315   2.236  1.00  1.31           H   new
ATOM      0 HG21 VAL A  41       6.548  -0.740   2.400  1.00  1.13           H   new
ATOM      0 HG22 VAL A  41       5.699   0.239   1.180  1.00  1.13           H   new
ATOM      0 HG23 VAL A  41       6.760  -1.096   0.669  1.00  1.13           H   new
ATOM    596  N   ASP A  42       9.002   3.350  -0.720  1.00  0.94           N
ATOM    597  CA  ASP A  42      10.090   4.306  -0.810  1.00  1.29           C
ATOM    598  C   ASP A  42       9.894   5.422   0.209  1.00  1.78           C
ATOM    599  O   ASP A  42      10.548   5.380   1.270  1.00  2.52           O
ATOM    600  CB  ASP A  42      10.185   4.886  -2.222  1.00  2.07           C
ATOM    601  CG  ASP A  42      11.518   5.554  -2.472  1.00  2.59           C
ATOM    602  OD1 ASP A  42      11.665   6.750  -2.152  1.00  2.92           O
ATOM    603  OD2 ASP A  42      12.434   4.883  -2.992  1.00  3.08           O
ATOM    604  OXT ASP A  42       9.057   6.315  -0.034  1.00  2.26           O
ATOM      0  H   ASP A  42       8.149   3.633  -1.202  1.00  0.94           H   new
ATOM      0  HA  ASP A  42      11.024   3.788  -0.590  1.00  1.29           H   new
ATOM      0  HB2 ASP A  42      10.036   4.090  -2.952  1.00  2.07           H   new
ATOM      0  HB3 ASP A  42       9.383   5.609  -2.371  1.00  2.07           H   new
TER     609      ASP A  42