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+   -115:sc=  0.0805   (180deg=0)
USER  MOD Single : A   2 THR OG1 :   rot  180:sc= 0.00656
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+    180:sc=       0   (180deg=0)
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  13 TYR OH  :   rot  165:sc=   0.182
USER  MOD Single : A  17 THR OG1 :   rot  180:sc=   0.535
USER  MOD Single : A  18 LYS NZ  :NH3+   -176:sc=       0   (180deg=-0.0368)
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  X(o=0,f=0)
USER  MOD Single : A  26 TYR OH  :   rot  100:sc=  -0.372
USER  MOD Single : A  27 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  29 SER OG  :   rot  131:sc=  -0.521!
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       0.131  -2.330  11.133  1.00  2.96           N
ATOM      2  CA  GLY A   1       0.655  -1.385  10.117  1.00  2.38           C
ATOM      3  C   GLY A   1      -0.079  -1.502   8.799  1.00  1.73           C
ATOM      4  O   GLY A   1      -0.810  -2.466   8.575  1.00  2.00           O
ATOM      0  H1  GLY A   1      -0.298  -1.796  11.915  1.00  2.96           H   new
ATOM      0  H2  GLY A   1      -0.587  -2.944  10.698  1.00  2.96           H   new
ATOM      0  H3  GLY A   1       0.910  -2.913  11.499  1.00  2.96           H   new
ATOM      0  HA2 GLY A   1       0.567  -0.365  10.491  1.00  2.38           H   new
ATOM      0  HA3 GLY A   1       1.716  -1.576   9.959  1.00  2.38           H   new
ATOM     10  N   THR A   2       0.117  -0.524   7.926  1.00  1.13           N
ATOM     11  CA  THR A   2      -0.559  -0.503   6.637  1.00  0.62           C
ATOM     12  C   THR A   2       0.362  -0.980   5.516  1.00  0.47           C
ATOM     13  O   THR A   2       0.249  -0.544   4.374  1.00  0.51           O
ATOM     14  CB  THR A   2      -1.074   0.915   6.310  1.00  0.67           C
ATOM     15  OG1 THR A   2      -0.047   1.881   6.580  1.00  1.13           O
ATOM     16  CG2 THR A   2      -2.316   1.244   7.122  1.00  1.00           C
ATOM      0  H   THR A   2       0.740   0.267   8.088  1.00  1.13           H   new
ATOM      0  HA  THR A   2      -1.406  -1.186   6.707  1.00  0.62           H   new
ATOM      0  HB  THR A   2      -1.336   0.948   5.253  1.00  0.67           H   new
ATOM      0  HG1 THR A   2      -0.379   2.779   6.369  1.00  1.13           H   new
ATOM      0 HG21 THR A   2      -2.658   2.248   6.873  1.00  1.00           H   new
ATOM      0 HG22 THR A   2      -3.102   0.525   6.892  1.00  1.00           H   new
ATOM      0 HG23 THR A   2      -2.079   1.195   8.185  1.00  1.00           H   new
ATOM     24  N   THR A   3       1.278  -1.874   5.847  1.00  0.58           N
ATOM     25  CA  THR A   3       2.230  -2.379   4.872  1.00  0.55           C
ATOM     26  C   THR A   3       1.743  -3.702   4.283  1.00  0.43           C
ATOM     27  O   THR A   3       1.193  -4.545   4.997  1.00  0.53           O
ATOM     28  CB  THR A   3       3.615  -2.562   5.514  1.00  0.70           C
ATOM     29  OG1 THR A   3       3.995  -1.350   6.186  1.00  1.12           O
ATOM     30  CG2 THR A   3       4.668  -2.917   4.476  1.00  0.98           C
ATOM      0  H   THR A   3       1.383  -2.265   6.783  1.00  0.58           H   new
ATOM      0  HA  THR A   3       2.314  -1.649   4.067  1.00  0.55           H   new
ATOM      0  HB  THR A   3       3.552  -3.384   6.227  1.00  0.70           H   new
ATOM      0  HG1 THR A   3       4.877  -1.467   6.597  1.00  1.12           H   new
ATOM      0 HG21 THR A   3       5.634  -3.039   4.965  1.00  0.98           H   new
ATOM      0 HG22 THR A   3       4.392  -3.848   3.981  1.00  0.98           H   new
ATOM      0 HG23 THR A   3       4.734  -2.119   3.737  1.00  0.98           H   new
ATOM     38  N   CYS A   4       1.933  -3.871   2.984  1.00  0.39           N
ATOM     39  CA  CYS A   4       1.502  -5.075   2.288  1.00  0.45           C
ATOM     40  C   CYS A   4       2.648  -5.666   1.472  1.00  0.38           C
ATOM     41  O   CYS A   4       3.642  -4.995   1.204  1.00  0.51           O
ATOM     42  CB  CYS A   4       0.297  -4.760   1.393  1.00  0.73           C
ATOM     43  SG  CYS A   4       0.324  -3.080   0.674  1.00  1.01           S
ATOM      0  H   CYS A   4       2.388  -3.182   2.384  1.00  0.39           H   new
ATOM      0  HA  CYS A   4       1.201  -5.818   3.026  1.00  0.45           H   new
ATOM      0  HB2 CYS A   4       0.258  -5.490   0.584  1.00  0.73           H   new
ATOM      0  HB3 CYS A   4      -0.616  -4.880   1.975  1.00  0.73           H   new
ATOM     48  N   TYR A   5       2.526  -6.934   1.112  1.00  0.47           N
ATOM     49  CA  TYR A   5       3.542  -7.604   0.316  1.00  0.50           C
ATOM     50  C   TYR A   5       2.935  -8.172  -0.955  1.00  0.61           C
ATOM     51  O   TYR A   5       2.211  -9.165  -0.915  1.00  0.85           O
ATOM     52  CB  TYR A   5       4.207  -8.733   1.112  1.00  0.58           C
ATOM     53  CG  TYR A   5       5.161  -8.254   2.181  1.00  0.56           C
ATOM     54  CD1 TYR A   5       6.506  -8.058   1.895  1.00  0.59           C
ATOM     55  CD2 TYR A   5       4.724  -8.000   3.479  1.00  0.63           C
ATOM     56  CE1 TYR A   5       7.388  -7.627   2.866  1.00  0.66           C
ATOM     57  CE2 TYR A   5       5.600  -7.566   4.455  1.00  0.69           C
ATOM     58  CZ  TYR A   5       6.931  -7.381   4.143  1.00  0.70           C
ATOM     59  OH  TYR A   5       7.810  -6.956   5.115  1.00  0.81           O
ATOM      0  H   TYR A   5       1.730  -7.522   1.360  1.00  0.47           H   new
ATOM      0  HA  TYR A   5       4.299  -6.864   0.054  1.00  0.50           H   new
ATOM      0  HB2 TYR A   5       3.431  -9.340   1.578  1.00  0.58           H   new
ATOM      0  HB3 TYR A   5       4.747  -9.381   0.422  1.00  0.58           H   new
ATOM      0  HD1 TYR A   5       6.868  -8.246   0.895  1.00  0.59           H   new
ATOM      0  HD2 TYR A   5       3.683  -8.145   3.727  1.00  0.63           H   new
ATOM      0  HE1 TYR A   5       8.431  -7.483   2.626  1.00  0.66           H   new
ATOM      0  HE2 TYR A   5       5.245  -7.373   5.456  1.00  0.69           H   new
ATOM      0  HH  TYR A   5       7.328  -6.827   5.958  1.00  0.81           H   new
ATOM     69  N   CYS A   6       3.223  -7.540  -2.080  1.00  0.51           N
ATOM     70  CA  CYS A   6       2.766  -8.052  -3.362  1.00  0.62           C
ATOM     71  C   CYS A   6       3.756  -9.090  -3.869  1.00  0.70           C
ATOM     72  O   CYS A   6       4.769  -8.754  -4.491  1.00  0.69           O
ATOM     73  CB  CYS A   6       2.594  -6.920  -4.382  1.00  0.61           C
ATOM     74  SG  CYS A   6       1.221  -5.780  -4.009  1.00  1.20           S
ATOM      0  H   CYS A   6       3.767  -6.679  -2.133  1.00  0.51           H   new
ATOM      0  HA  CYS A   6       1.790  -8.519  -3.228  1.00  0.62           H   new
ATOM      0  HB2 CYS A   6       3.521  -6.349  -4.434  1.00  0.61           H   new
ATOM      0  HB3 CYS A   6       2.432  -7.356  -5.368  1.00  0.61           H   new
ATOM     79  N   GLY A   7       3.475 -10.348  -3.553  1.00  0.85           N
ATOM     80  CA  GLY A   7       4.360 -11.429  -3.926  1.00  0.97           C
ATOM     81  C   GLY A   7       5.641 -11.413  -3.119  1.00  0.93           C
ATOM     82  O   GLY A   7       5.701 -11.968  -2.021  1.00  1.01           O
ATOM      0  H   GLY A   7       2.642 -10.638  -3.041  1.00  0.85           H   new
ATOM      0  HA2 GLY A   7       3.851 -12.382  -3.780  1.00  0.97           H   new
ATOM      0  HA3 GLY A   7       4.598 -11.354  -4.987  1.00  0.97           H   new
ATOM     86  N   LYS A   8       6.659 -10.765  -3.654  1.00  0.91           N
ATOM     87  CA  LYS A   8       7.936 -10.664  -2.981  1.00  0.94           C
ATOM     88  C   LYS A   8       8.350  -9.210  -2.824  1.00  0.79           C
ATOM     89  O   LYS A   8       9.411  -8.916  -2.276  1.00  0.86           O
ATOM     90  CB  LYS A   8       9.010 -11.426  -3.756  1.00  1.16           C
ATOM     91  CG  LYS A   8       8.789 -12.928  -3.801  1.00  1.65           C
ATOM     92  CD  LYS A   8       9.762 -13.590  -4.755  1.00  2.18           C
ATOM     93  CE  LYS A   8       9.642 -15.100  -4.722  1.00  3.07           C
ATOM     94  NZ  LYS A   8      10.508 -15.733  -5.746  1.00  3.65           N
ATOM      0  H   LYS A   8       6.623 -10.298  -4.560  1.00  0.91           H   new
ATOM      0  HA  LYS A   8       7.830 -11.106  -1.990  1.00  0.94           H   new
ATOM      0  HB2 LYS A   8       9.048 -11.044  -4.776  1.00  1.16           H   new
ATOM      0  HB3 LYS A   8       9.981 -11.225  -3.304  1.00  1.16           H   new
ATOM      0  HG2 LYS A   8       8.911 -13.347  -2.802  1.00  1.65           H   new
ATOM      0  HG3 LYS A   8       7.766 -13.140  -4.113  1.00  1.65           H   new
ATOM      0  HD2 LYS A   8       9.578 -13.233  -5.768  1.00  2.18           H   new
ATOM      0  HD3 LYS A   8      10.780 -13.300  -4.495  1.00  2.18           H   new
ATOM      0  HE2 LYS A   8       9.917 -15.467  -3.733  1.00  3.07           H   new
ATOM      0  HE3 LYS A   8       8.605 -15.388  -4.892  1.00  3.07           H   new
ATOM      0  HZ1 LYS A   8      10.404 -16.767  -5.698  1.00  3.65           H   new
ATOM      0  HZ2 LYS A   8      10.229 -15.400  -6.691  1.00  3.65           H   new
ATOM      0  HZ3 LYS A   8      11.500 -15.477  -5.568  1.00  3.65           H   new
ATOM    108  N   THR A   9       7.514  -8.298  -3.300  1.00  0.66           N
ATOM    109  CA  THR A   9       7.834  -6.882  -3.218  1.00  0.55           C
ATOM    110  C   THR A   9       6.988  -6.198  -2.153  1.00  0.42           C
ATOM    111  O   THR A   9       5.754  -6.255  -2.183  1.00  0.42           O
ATOM    112  CB  THR A   9       7.638  -6.177  -4.572  1.00  0.55           C
ATOM    113  OG1 THR A   9       8.270  -6.936  -5.613  1.00  0.72           O
ATOM    114  CG2 THR A   9       8.231  -4.774  -4.537  1.00  0.50           C
ATOM      0  H   THR A   9       6.620  -8.510  -3.742  1.00  0.66           H   new
ATOM      0  HA  THR A   9       8.886  -6.805  -2.942  1.00  0.55           H   new
ATOM      0  HB  THR A   9       6.569  -6.103  -4.770  1.00  0.55           H   new
ATOM      0  HG1 THR A   9       8.140  -6.483  -6.473  1.00  0.72           H   new
ATOM      0 HG21 THR A   9       8.082  -4.292  -5.503  1.00  0.50           H   new
ATOM      0 HG22 THR A   9       7.738  -4.190  -3.760  1.00  0.50           H   new
ATOM      0 HG23 THR A   9       9.298  -4.835  -4.322  1.00  0.50           H   new
ATOM    122  N   ILE A  10       7.668  -5.574  -1.200  1.00  0.39           N
ATOM    123  CA  ILE A  10       7.012  -4.878  -0.109  1.00  0.32           C
ATOM    124  C   ILE A  10       6.445  -3.533  -0.570  1.00  0.24           C
ATOM    125  O   ILE A  10       7.164  -2.678  -1.103  1.00  0.31           O
ATOM    126  CB  ILE A  10       7.974  -4.678   1.090  1.00  0.46           C
ATOM    127  CG1 ILE A  10       7.301  -3.860   2.196  1.00  0.64           C
ATOM    128  CG2 ILE A  10       9.273  -4.022   0.640  1.00  0.56           C
ATOM    129  CD1 ILE A  10       8.162  -3.672   3.427  1.00  1.06           C
ATOM      0  H   ILE A  10       8.687  -5.538  -1.164  1.00  0.39           H   new
ATOM      0  HA  ILE A  10       6.182  -5.502   0.222  1.00  0.32           H   new
ATOM      0  HB  ILE A  10       8.217  -5.659   1.497  1.00  0.46           H   new
ATOM      0 HG12 ILE A  10       7.033  -2.881   1.799  1.00  0.64           H   new
ATOM      0 HG13 ILE A  10       6.372  -4.352   2.485  1.00  0.64           H   new
ATOM      0 HG21 ILE A  10       9.932  -3.892   1.499  1.00  0.56           H   new
ATOM      0 HG22 ILE A  10       9.763  -4.655  -0.100  1.00  0.56           H   new
ATOM      0 HG23 ILE A  10       9.056  -3.049   0.199  1.00  0.56           H   new
ATOM      0 HD11 ILE A  10       7.618  -3.083   4.165  1.00  1.06           H   new
ATOM      0 HD12 ILE A  10       8.409  -4.646   3.850  1.00  1.06           H   new
ATOM      0 HD13 ILE A  10       9.080  -3.152   3.153  1.00  1.06           H   new
ATOM    141  N   GLY A  11       5.146  -3.364  -0.371  1.00  0.22           N
ATOM    142  CA  GLY A  11       4.478  -2.144  -0.761  1.00  0.32           C
ATOM    143  C   GLY A  11       3.699  -1.543   0.387  1.00  0.28           C
ATOM    144  O   GLY A  11       3.571  -2.158   1.448  1.00  0.36           O
ATOM      0  H   GLY A  11       4.538  -4.061   0.059  1.00  0.22           H   new
ATOM      0  HA2 GLY A  11       5.214  -1.424  -1.118  1.00  0.32           H   new
ATOM      0  HA3 GLY A  11       3.803  -2.348  -1.592  1.00  0.32           H   new
ATOM    148  N   ILE A  12       3.189  -0.344   0.191  1.00  0.25           N
ATOM    149  CA  ILE A  12       2.442   0.337   1.232  1.00  0.25           C
ATOM    150  C   ILE A  12       0.981   0.490   0.805  1.00  0.22           C
ATOM    151  O   ILE A  12       0.683   0.892  -0.325  1.00  0.22           O
ATOM    152  CB  ILE A  12       3.103   1.700   1.583  1.00  0.30           C
ATOM    153  CG1 ILE A  12       2.442   2.372   2.805  1.00  0.33           C
ATOM    154  CG2 ILE A  12       3.106   2.631   0.382  1.00  0.30           C
ATOM    155  CD1 ILE A  12       1.169   3.144   2.507  1.00  0.29           C
ATOM      0  H   ILE A  12       3.278   0.180  -0.680  1.00  0.25           H   new
ATOM      0  HA  ILE A  12       2.460  -0.262   2.142  1.00  0.25           H   new
ATOM      0  HB  ILE A  12       4.138   1.492   1.856  1.00  0.30           H   new
ATOM      0 HG12 ILE A  12       2.217   1.604   3.545  1.00  0.33           H   new
ATOM      0 HG13 ILE A  12       3.162   3.052   3.260  1.00  0.33           H   new
ATOM      0 HG21 ILE A  12       3.574   3.577   0.656  1.00  0.30           H   new
ATOM      0 HG22 ILE A  12       3.666   2.172  -0.433  1.00  0.30           H   new
ATOM      0 HG23 ILE A  12       2.081   2.813   0.060  1.00  0.30           H   new
ATOM      0 HD11 ILE A  12       0.782   3.578   3.429  1.00  0.29           H   new
ATOM      0 HD12 ILE A  12       1.385   3.940   1.794  1.00  0.29           H   new
ATOM      0 HD13 ILE A  12       0.425   2.469   2.084  1.00  0.29           H   new
ATOM    167  N   TYR A  13       0.081   0.126   1.707  1.00  0.24           N
ATOM    168  CA  TYR A  13      -1.343   0.130   1.424  1.00  0.23           C
ATOM    169  C   TYR A  13      -1.944   1.497   1.714  1.00  0.21           C
ATOM    170  O   TYR A  13      -2.208   1.848   2.869  1.00  0.26           O
ATOM    171  CB  TYR A  13      -2.041  -0.955   2.256  1.00  0.28           C
ATOM    172  CG  TYR A  13      -3.546  -1.013   2.098  1.00  0.32           C
ATOM    173  CD1 TYR A  13      -4.162  -0.715   0.891  1.00  0.53           C
ATOM    174  CD2 TYR A  13      -4.352  -1.378   3.170  1.00  0.49           C
ATOM    175  CE1 TYR A  13      -5.535  -0.776   0.757  1.00  0.65           C
ATOM    176  CE2 TYR A  13      -5.724  -1.446   3.042  1.00  0.61           C
ATOM    177  CZ  TYR A  13      -6.313  -1.143   1.836  1.00  0.64           C
ATOM    178  OH  TYR A  13      -7.684  -1.216   1.706  1.00  0.80           O
ATOM      0  H   TYR A  13       0.318  -0.179   2.651  1.00  0.24           H   new
ATOM      0  HA  TYR A  13      -1.492  -0.086   0.366  1.00  0.23           H   new
ATOM      0  HB2 TYR A  13      -1.624  -1.925   1.984  1.00  0.28           H   new
ATOM      0  HB3 TYR A  13      -1.807  -0.792   3.308  1.00  0.28           H   new
ATOM      0  HD1 TYR A  13      -3.558  -0.431   0.042  1.00  0.53           H   new
ATOM      0  HD2 TYR A  13      -3.896  -1.613   4.120  1.00  0.49           H   new
ATOM      0  HE1 TYR A  13      -5.998  -0.537  -0.189  1.00  0.65           H   new
ATOM      0  HE2 TYR A  13      -6.333  -1.736   3.885  1.00  0.61           H   new
ATOM      0  HH  TYR A  13      -8.059  -1.710   2.465  1.00  0.80           H   new
ATOM    188  N   TRP A  14      -2.147   2.267   0.662  1.00  0.20           N
ATOM    189  CA  TRP A  14      -2.801   3.555   0.772  1.00  0.20           C
ATOM    190  C   TRP A  14      -4.308   3.359   0.858  1.00  0.21           C
ATOM    191  O   TRP A  14      -5.003   3.318  -0.160  1.00  0.27           O
ATOM    192  CB  TRP A  14      -2.445   4.440  -0.423  1.00  0.23           C
ATOM    193  CG  TRP A  14      -0.996   4.810  -0.474  1.00  0.23           C
ATOM    194  CD1 TRP A  14      -0.017   4.199  -1.203  1.00  0.28           C
ATOM    195  CD2 TRP A  14      -0.360   5.880   0.235  1.00  0.28           C
ATOM    196  NE1 TRP A  14       1.188   4.823  -0.990  1.00  0.31           N
ATOM    197  CE2 TRP A  14       1.004   5.854  -0.109  1.00  0.31           C
ATOM    198  CE3 TRP A  14      -0.811   6.853   1.131  1.00  0.35           C
ATOM    199  CZ2 TRP A  14       1.919   6.766   0.405  1.00  0.40           C
ATOM    200  CZ3 TRP A  14       0.096   7.759   1.638  1.00  0.45           C
ATOM    201  CH2 TRP A  14       1.449   7.709   1.277  1.00  0.47           C
ATOM      0  H   TRP A  14      -1.865   2.019  -0.286  1.00  0.20           H   new
ATOM      0  HA  TRP A  14      -2.455   4.052   1.678  1.00  0.20           H   new
ATOM      0  HB2 TRP A  14      -2.713   3.921  -1.343  1.00  0.23           H   new
ATOM      0  HB3 TRP A  14      -3.044   5.350  -0.384  1.00  0.23           H   new
ATOM      0  HD1 TRP A  14      -0.168   3.349  -1.852  1.00  0.28           H   new
ATOM      0  HE1 TRP A  14       2.076   4.561  -1.419  1.00  0.31           H   new
ATOM      0  HE3 TRP A  14      -1.851   6.894   1.421  1.00  0.35           H   new
ATOM      0  HZ2 TRP A  14       2.962   6.731   0.126  1.00  0.40           H   new
ATOM      0  HZ3 TRP A  14      -0.242   8.520   2.325  1.00  0.45           H   new
ATOM      0  HH2 TRP A  14       2.135   8.430   1.696  1.00  0.47           H   new
ATOM    212  N   PHE A  15      -4.796   3.192   2.077  1.00  0.32           N
ATOM    213  CA  PHE A  15      -6.218   3.024   2.320  1.00  0.38           C
ATOM    214  C   PHE A  15      -6.944   4.340   2.065  1.00  0.41           C
ATOM    215  O   PHE A  15      -6.620   5.364   2.666  1.00  0.57           O
ATOM    216  CB  PHE A  15      -6.444   2.553   3.762  1.00  0.46           C
ATOM    217  CG  PHE A  15      -7.885   2.293   4.114  1.00  0.55           C
ATOM    218  CD1 PHE A  15      -8.477   1.075   3.817  1.00  0.65           C
ATOM    219  CD2 PHE A  15      -8.640   3.263   4.754  1.00  0.62           C
ATOM    220  CE1 PHE A  15      -9.795   0.831   4.153  1.00  0.75           C
ATOM    221  CE2 PHE A  15      -9.958   3.024   5.087  1.00  0.70           C
ATOM    222  CZ  PHE A  15     -10.536   1.807   4.788  1.00  0.75           C
ATOM      0  H   PHE A  15      -4.222   3.169   2.920  1.00  0.32           H   new
ATOM      0  HA  PHE A  15      -6.617   2.270   1.641  1.00  0.38           H   new
ATOM      0  HB2 PHE A  15      -5.872   1.640   3.927  1.00  0.46           H   new
ATOM      0  HB3 PHE A  15      -6.046   3.305   4.443  1.00  0.46           H   new
ATOM      0  HD1 PHE A  15      -7.902   0.309   3.318  1.00  0.65           H   new
ATOM      0  HD2 PHE A  15      -8.192   4.216   4.995  1.00  0.62           H   new
ATOM      0  HE1 PHE A  15     -10.245  -0.123   3.919  1.00  0.75           H   new
ATOM      0  HE2 PHE A  15     -10.537   3.790   5.582  1.00  0.70           H   new
ATOM      0  HZ  PHE A  15     -11.567   1.619   5.050  1.00  0.75           H   new
ATOM    232  N   GLY A  16      -7.906   4.315   1.156  1.00  0.50           N
ATOM    233  CA  GLY A  16      -8.664   5.507   0.851  1.00  0.60           C
ATOM    234  C   GLY A  16      -8.525   5.939  -0.596  1.00  0.65           C
ATOM    235  O   GLY A  16      -9.467   6.480  -1.177  1.00  1.07           O
ATOM      0  H   GLY A  16      -8.175   3.488   0.623  1.00  0.50           H   new
ATOM      0  HA2 GLY A  16      -9.716   5.329   1.073  1.00  0.60           H   new
ATOM      0  HA3 GLY A  16      -8.334   6.318   1.501  1.00  0.60           H   new
ATOM    239  N   THR A  17      -7.362   5.697  -1.186  1.00  0.46           N
ATOM    240  CA  THR A  17      -7.105   6.129  -2.553  1.00  0.47           C
ATOM    241  C   THR A  17      -6.666   4.960  -3.427  1.00  0.50           C
ATOM    242  O   THR A  17      -6.096   3.989  -2.940  1.00  0.57           O
ATOM    243  CB  THR A  17      -6.032   7.248  -2.605  1.00  0.48           C
ATOM    244  OG1 THR A  17      -5.809   7.656  -3.963  1.00  0.56           O
ATOM    245  CG2 THR A  17      -4.712   6.790  -1.990  1.00  0.47           C
ATOM      0  H   THR A  17      -6.585   5.207  -0.742  1.00  0.46           H   new
ATOM      0  HA  THR A  17      -8.042   6.528  -2.940  1.00  0.47           H   new
ATOM      0  HB  THR A  17      -6.407   8.090  -2.023  1.00  0.48           H   new
ATOM      0  HG1 THR A  17      -5.131   8.364  -3.985  1.00  0.56           H   new
ATOM      0 HG21 THR A  17      -3.985   7.600  -2.044  1.00  0.47           H   new
ATOM      0 HG22 THR A  17      -4.872   6.516  -0.947  1.00  0.47           H   new
ATOM      0 HG23 THR A  17      -4.335   5.927  -2.539  1.00  0.47           H   new
ATOM    253  N   LYS A  18      -6.964   5.051  -4.717  1.00  0.58           N
ATOM    254  CA  LYS A  18      -6.476   4.087  -5.689  1.00  0.69           C
ATOM    255  C   LYS A  18      -5.435   4.771  -6.574  1.00  0.64           C
ATOM    256  O   LYS A  18      -5.157   4.353  -7.697  1.00  0.71           O
ATOM    257  CB  LYS A  18      -7.637   3.524  -6.531  1.00  0.91           C
ATOM    258  CG  LYS A  18      -7.230   2.395  -7.472  1.00  1.70           C
ATOM    259  CD  LYS A  18      -6.762   1.165  -6.709  1.00  2.32           C
ATOM    260  CE  LYS A  18      -5.877   0.274  -7.568  1.00  3.29           C
ATOM    261  NZ  LYS A  18      -6.540  -0.160  -8.826  1.00  3.98           N
ATOM      0  H   LYS A  18      -7.546   5.789  -5.114  1.00  0.58           H   new
ATOM      0  HA  LYS A  18      -6.015   3.245  -5.173  1.00  0.69           H   new
ATOM      0  HB2 LYS A  18      -8.416   3.161  -5.860  1.00  0.91           H   new
ATOM      0  HB3 LYS A  18      -8.073   4.333  -7.118  1.00  0.91           H   new
ATOM      0  HG2 LYS A  18      -8.075   2.129  -8.107  1.00  1.70           H   new
ATOM      0  HG3 LYS A  18      -6.432   2.740  -8.130  1.00  1.70           H   new
ATOM      0  HD2 LYS A  18      -6.213   1.475  -5.820  1.00  2.32           H   new
ATOM      0  HD3 LYS A  18      -7.628   0.597  -6.367  1.00  2.32           H   new
ATOM      0  HE2 LYS A  18      -4.960   0.809  -7.813  1.00  3.29           H   new
ATOM      0  HE3 LYS A  18      -5.589  -0.606  -6.993  1.00  3.29           H   new
ATOM      0  HZ1 LYS A  18      -5.918  -0.818  -9.337  1.00  3.98           H   new
ATOM      0  HZ2 LYS A  18      -7.436  -0.637  -8.600  1.00  3.98           H   new
ATOM      0  HZ3 LYS A  18      -6.731   0.670  -9.422  1.00  3.98           H   new
ATOM    275  N   THR A  19      -4.868   5.846  -6.055  1.00  0.62           N
ATOM    276  CA  THR A  19      -3.838   6.578  -6.763  1.00  0.69           C
ATOM    277  C   THR A  19      -2.545   6.583  -5.958  1.00  0.60           C
ATOM    278  O   THR A  19      -2.531   7.011  -4.804  1.00  0.89           O
ATOM    279  CB  THR A  19      -4.283   8.029  -7.033  1.00  0.84           C
ATOM    280  OG1 THR A  19      -5.546   8.027  -7.717  1.00  1.60           O
ATOM    281  CG2 THR A  19      -3.247   8.776  -7.865  1.00  1.50           C
ATOM      0  H   THR A  19      -5.107   6.231  -5.141  1.00  0.62           H   new
ATOM      0  HA  THR A  19      -3.667   6.080  -7.718  1.00  0.69           H   new
ATOM      0  HB  THR A  19      -4.384   8.541  -6.076  1.00  0.84           H   new
ATOM      0  HG1 THR A  19      -5.828   8.950  -7.886  1.00  1.60           H   new
ATOM      0 HG21 THR A  19      -3.588   9.797  -8.040  1.00  1.50           H   new
ATOM      0 HG22 THR A  19      -2.297   8.797  -7.330  1.00  1.50           H   new
ATOM      0 HG23 THR A  19      -3.114   8.269  -8.821  1.00  1.50           H   new
ATOM    289  N   CYS A  20      -1.472   6.091  -6.560  1.00  0.60           N
ATOM    290  CA  CYS A  20      -0.172   6.095  -5.911  1.00  0.62           C
ATOM    291  C   CYS A  20       0.394   7.510  -5.864  1.00  0.52           C
ATOM    292  O   CYS A  20       0.606   8.141  -6.902  1.00  0.65           O
ATOM    293  CB  CYS A  20       0.814   5.175  -6.639  1.00  0.87           C
ATOM    294  SG  CYS A  20       0.415   3.399  -6.537  1.00  0.91           S
ATOM      0  H   CYS A  20      -1.477   5.685  -7.496  1.00  0.60           H   new
ATOM      0  HA  CYS A  20      -0.309   5.724  -4.895  1.00  0.62           H   new
ATOM      0  HB2 CYS A  20       0.853   5.465  -7.689  1.00  0.87           H   new
ATOM      0  HB3 CYS A  20       1.810   5.334  -6.227  1.00  0.87           H   new
ATOM    299  N   PRO A  21       0.630   8.031  -4.654  1.00  0.45           N
ATOM    300  CA  PRO A  21       1.287   9.312  -4.465  1.00  0.56           C
ATOM    301  C   PRO A  21       2.796   9.144  -4.595  1.00  0.71           C
ATOM    302  O   PRO A  21       3.537   9.133  -3.606  1.00  0.82           O
ATOM    303  CB  PRO A  21       0.881   9.728  -3.052  1.00  0.62           C
ATOM    304  CG  PRO A  21       0.478   8.472  -2.343  1.00  0.51           C
ATOM    305  CD  PRO A  21       0.277   7.395  -3.378  1.00  0.49           C
ATOM      0  HA  PRO A  21       1.004  10.062  -5.204  1.00  0.56           H   new
ATOM      0  HB2 PRO A  21       1.709  10.216  -2.538  1.00  0.62           H   new
ATOM      0  HB3 PRO A  21       0.057  10.441  -3.078  1.00  0.62           H   new
ATOM      0  HG2 PRO A  21       1.246   8.175  -1.629  1.00  0.51           H   new
ATOM      0  HG3 PRO A  21      -0.440   8.632  -1.777  1.00  0.51           H   new
ATOM      0  HD2 PRO A  21       0.911   6.531  -3.178  1.00  0.49           H   new
ATOM      0  HD3 PRO A  21      -0.754   7.040  -3.385  1.00  0.49           H   new
ATOM    313  N   SER A  22       3.236   9.003  -5.837  1.00  0.99           N
ATOM    314  CA  SER A  22       4.592   8.587  -6.149  1.00  1.26           C
ATOM    315  C   SER A  22       5.608   9.717  -6.006  1.00  1.32           C
ATOM    316  O   SER A  22       6.374   9.990  -6.924  1.00  1.83           O
ATOM    317  CB  SER A  22       4.629   8.015  -7.567  1.00  1.68           C
ATOM    318  OG  SER A  22       3.632   7.018  -7.729  1.00  2.07           O
ATOM      0  H   SER A  22       2.658   9.175  -6.660  1.00  0.99           H   new
ATOM      0  HA  SER A  22       4.877   7.823  -5.425  1.00  1.26           H   new
ATOM      0  HB2 SER A  22       4.473   8.814  -8.292  1.00  1.68           H   new
ATOM      0  HB3 SER A  22       5.612   7.590  -7.768  1.00  1.68           H   new
ATOM      0  HG  SER A  22       3.669   6.664  -8.642  1.00  2.07           H   new
ATOM    324  N   ASN A  23       5.617  10.362  -4.848  1.00  1.04           N
ATOM    325  CA  ASN A  23       6.678  11.307  -4.523  1.00  1.20           C
ATOM    326  C   ASN A  23       7.825  10.563  -3.863  1.00  1.07           C
ATOM    327  O   ASN A  23       8.827  11.153  -3.464  1.00  1.27           O
ATOM    328  CB  ASN A  23       6.176  12.435  -3.615  1.00  1.39           C
ATOM    329  CG  ASN A  23       5.345  13.458  -4.366  1.00  1.32           C
ATOM    330  OD1 ASN A  23       5.883  14.377  -4.986  1.00  1.83           O
ATOM    331  ND2 ASN A  23       4.030  13.332  -4.285  1.00  1.61           N
ATOM      0  H   ASN A  23       4.908  10.250  -4.123  1.00  1.04           H   new
ATOM      0  HA  ASN A  23       7.023  11.770  -5.448  1.00  1.20           H   new
ATOM      0  HB2 ASN A  23       5.580  12.009  -2.808  1.00  1.39           H   new
ATOM      0  HB3 ASN A  23       7.029  12.933  -3.153  1.00  1.39           H   new
ATOM      0 HD21 ASN A  23       3.423  14.010  -4.746  1.00  1.61           H   new
ATOM      0 HD22 ASN A  23       3.623  12.557  -3.762  1.00  1.61           H   new
ATOM    338  N   ARG A  24       7.652   9.253  -3.746  1.00  0.95           N
ATOM    339  CA  ARG A  24       8.684   8.381  -3.208  1.00  1.02           C
ATOM    340  C   ARG A  24       9.471   7.743  -4.350  1.00  1.13           C
ATOM    341  O   ARG A  24      10.617   8.113  -4.615  1.00  1.71           O
ATOM    342  CB  ARG A  24       8.078   7.281  -2.326  1.00  1.06           C
ATOM    343  CG  ARG A  24       7.595   7.745  -0.960  1.00  1.42           C
ATOM    344  CD  ARG A  24       6.323   8.572  -1.038  1.00  1.41           C
ATOM    345  NE  ARG A  24       5.815   8.899   0.288  1.00  2.03           N
ATOM    346  CZ  ARG A  24       4.627   9.451   0.525  1.00  2.71           C
ATOM    347  NH1 ARG A  24       3.804   9.738  -0.481  1.00  3.19           N
ATOM    348  NH2 ARG A  24       4.260   9.707   1.772  1.00  3.39           N
ATOM      0  H   ARG A  24       6.797   8.769  -4.020  1.00  0.95           H   new
ATOM      0  HA  ARG A  24       9.350   8.986  -2.593  1.00  1.02           H   new
ATOM      0  HB2 ARG A  24       7.240   6.831  -2.857  1.00  1.06           H   new
ATOM      0  HB3 ARG A  24       8.823   6.498  -2.185  1.00  1.06           H   new
ATOM      0  HG2 ARG A  24       7.420   6.876  -0.326  1.00  1.42           H   new
ATOM      0  HG3 ARG A  24       8.378   8.334  -0.483  1.00  1.42           H   new
ATOM      0  HD2 ARG A  24       6.519   9.491  -1.590  1.00  1.41           H   new
ATOM      0  HD3 ARG A  24       5.564   8.022  -1.594  1.00  1.41           H   new
ATOM      0  HE  ARG A  24       6.410   8.691   1.090  1.00  2.03           H   new
ATOM      0 HH11 ARG A  24       4.082   9.535  -1.441  1.00  3.19           H   new
ATOM      0 HH12 ARG A  24       2.895  10.161  -0.292  1.00  3.19           H   new
ATOM      0 HH21 ARG A  24       4.887   9.481   2.545  1.00  3.39           H   new
ATOM      0 HH22 ARG A  24       3.351  10.130   1.959  1.00  3.39           H   new
ATOM    362  N   GLY A  25       8.834   6.789  -5.019  1.00  0.93           N
ATOM    363  CA  GLY A  25       9.440   6.131  -6.163  1.00  1.10           C
ATOM    364  C   GLY A  25       8.746   4.827  -6.508  1.00  0.81           C
ATOM    365  O   GLY A  25       9.362   3.913  -7.060  1.00  0.78           O
ATOM      0  H   GLY A  25       7.898   6.456  -4.787  1.00  0.93           H   new
ATOM      0  HA2 GLY A  25       9.405   6.798  -7.024  1.00  1.10           H   new
ATOM      0  HA3 GLY A  25      10.492   5.936  -5.953  1.00  1.10           H   new
ATOM    369  N   TYR A  26       7.455   4.754  -6.191  1.00  0.71           N
ATOM    370  CA  TYR A  26       6.661   3.547  -6.421  1.00  0.50           C
ATOM    371  C   TYR A  26       6.738   3.113  -7.880  1.00  0.49           C
ATOM    372  O   TYR A  26       6.693   3.942  -8.789  1.00  0.71           O
ATOM    373  CB  TYR A  26       5.202   3.793  -6.022  1.00  0.51           C
ATOM    374  CG  TYR A  26       5.038   4.252  -4.590  1.00  0.93           C
ATOM    375  CD1 TYR A  26       5.479   3.464  -3.538  1.00  1.52           C
ATOM    376  CD2 TYR A  26       4.441   5.471  -4.291  1.00  1.20           C
ATOM    377  CE1 TYR A  26       5.333   3.873  -2.227  1.00  2.35           C
ATOM    378  CE2 TYR A  26       4.294   5.889  -2.983  1.00  2.02           C
ATOM    379  CZ  TYR A  26       4.741   5.087  -1.956  1.00  2.61           C
ATOM    380  OH  TYR A  26       4.590   5.498  -0.655  1.00  3.45           O
ATOM      0  H   TYR A  26       6.932   5.523  -5.771  1.00  0.71           H   new
ATOM      0  HA  TYR A  26       7.071   2.747  -5.805  1.00  0.50           H   new
ATOM      0  HB2 TYR A  26       4.773   4.543  -6.687  1.00  0.51           H   new
ATOM      0  HB3 TYR A  26       4.634   2.874  -6.168  1.00  0.51           H   new
ATOM      0  HD1 TYR A  26       5.945   2.513  -3.748  1.00  1.52           H   new
ATOM      0  HD2 TYR A  26       4.087   6.101  -5.094  1.00  1.20           H   new
ATOM      0  HE1 TYR A  26       5.681   3.245  -1.420  1.00  2.35           H   new
ATOM      0  HE2 TYR A  26       3.831   6.840  -2.766  1.00  2.02           H   new
ATOM      0  HH  TYR A  26       5.299   6.135  -0.429  1.00  3.45           H   new
ATOM    390  N   THR A  27       6.858   1.812  -8.098  1.00  0.41           N
ATOM    391  CA  THR A  27       7.027   1.274  -9.435  1.00  0.53           C
ATOM    392  C   THR A  27       5.770   0.537  -9.892  1.00  0.45           C
ATOM    393  O   THR A  27       5.291   0.726 -11.009  1.00  0.67           O
ATOM    394  CB  THR A  27       8.233   0.320  -9.477  1.00  0.66           C
ATOM    395  OG1 THR A  27       9.390   0.980  -8.944  1.00  1.18           O
ATOM    396  CG2 THR A  27       8.515  -0.143 -10.896  1.00  1.33           C
ATOM      0  H   THR A  27       6.841   1.108  -7.360  1.00  0.41           H   new
ATOM      0  HA  THR A  27       7.204   2.109 -10.113  1.00  0.53           H   new
ATOM      0  HB  THR A  27       7.998  -0.556  -8.872  1.00  0.66           H   new
ATOM      0  HG1 THR A  27      10.156   0.369  -8.970  1.00  1.18           H   new
ATOM      0 HG21 THR A  27       9.372  -0.816 -10.895  1.00  1.33           H   new
ATOM      0 HG22 THR A  27       7.643  -0.666 -11.288  1.00  1.33           H   new
ATOM      0 HG23 THR A  27       8.732   0.721 -11.524  1.00  1.33           H   new
ATOM    404  N   GLY A  28       5.230  -0.296  -9.017  1.00  0.29           N
ATOM    405  CA  GLY A  28       4.029  -1.035  -9.336  1.00  0.31           C
ATOM    406  C   GLY A  28       3.005  -0.893  -8.239  1.00  0.29           C
ATOM    407  O   GLY A  28       3.258  -0.210  -7.244  1.00  0.35           O
ATOM      0  H   GLY A  28       5.606  -0.474  -8.085  1.00  0.29           H   new
ATOM      0  HA2 GLY A  28       3.613  -0.673 -10.276  1.00  0.31           H   new
ATOM      0  HA3 GLY A  28       4.272  -2.088  -9.479  1.00  0.31           H   new
ATOM    411  N   SER A  29       1.856  -1.525  -8.388  1.00  0.31           N
ATOM    412  CA  SER A  29       0.836  -1.419  -7.369  1.00  0.34           C
ATOM    413  C   SER A  29      -0.140  -2.587  -7.427  1.00  0.37           C
ATOM    414  O   SER A  29      -0.203  -3.316  -8.417  1.00  0.52           O
ATOM    415  CB  SER A  29       0.084  -0.104  -7.528  1.00  0.43           C
ATOM    416  OG  SER A  29      -0.337   0.381  -6.273  1.00  0.96           O
ATOM      0  H   SER A  29       1.611  -2.106  -9.190  1.00  0.31           H   new
ATOM      0  HA  SER A  29       1.328  -1.446  -6.397  1.00  0.34           H   new
ATOM      0  HB2 SER A  29       0.726   0.632  -8.012  1.00  0.43           H   new
ATOM      0  HB3 SER A  29      -0.780  -0.249  -8.177  1.00  0.43           H   new
ATOM      0  HG  SER A  29      -0.083   1.323  -6.184  1.00  0.96           H   new
ATOM    422  N   CYS A  30      -0.896  -2.747  -6.355  1.00  0.34           N
ATOM    423  CA  CYS A  30      -1.887  -3.805  -6.246  1.00  0.40           C
ATOM    424  C   CYS A  30      -3.201  -3.229  -5.723  1.00  0.37           C
ATOM    425  O   CYS A  30      -3.223  -2.582  -4.675  1.00  0.43           O
ATOM    426  CB  CYS A  30      -1.393  -4.904  -5.299  1.00  0.55           C
ATOM    427  SG  CYS A  30       0.207  -5.645  -5.767  1.00  1.01           S
ATOM      0  H   CYS A  30      -0.840  -2.146  -5.533  1.00  0.34           H   new
ATOM      0  HA  CYS A  30      -2.047  -4.238  -7.234  1.00  0.40           H   new
ATOM      0  HB2 CYS A  30      -1.307  -4.489  -4.295  1.00  0.55           H   new
ATOM      0  HB3 CYS A  30      -2.145  -5.692  -5.254  1.00  0.55           H   new
ATOM    432  N   GLY A  31      -4.284  -3.447  -6.454  1.00  0.39           N
ATOM    433  CA  GLY A  31      -5.585  -2.969  -6.018  1.00  0.40           C
ATOM    434  C   GLY A  31      -6.063  -3.679  -4.769  1.00  0.40           C
ATOM    435  O   GLY A  31      -6.097  -4.911  -4.722  1.00  0.49           O
ATOM      0  H   GLY A  31      -4.288  -3.947  -7.343  1.00  0.39           H   new
ATOM      0  HA2 GLY A  31      -5.532  -1.897  -5.827  1.00  0.40           H   new
ATOM      0  HA3 GLY A  31      -6.311  -3.115  -6.818  1.00  0.40           H   new
ATOM    439  N   TYR A  32      -6.430  -2.914  -3.754  1.00  0.38           N
ATOM    440  CA  TYR A  32      -6.832  -3.489  -2.483  1.00  0.42           C
ATOM    441  C   TYR A  32      -8.234  -3.038  -2.092  1.00  0.42           C
ATOM    442  O   TYR A  32      -8.750  -2.058  -2.632  1.00  0.41           O
ATOM    443  CB  TYR A  32      -5.816  -3.133  -1.396  1.00  0.47           C
ATOM    444  CG  TYR A  32      -4.992  -4.309  -0.928  1.00  0.63           C
ATOM    445  CD1 TYR A  32      -4.150  -4.983  -1.801  1.00  1.00           C
ATOM    446  CD2 TYR A  32      -5.064  -4.749   0.387  1.00  0.97           C
ATOM    447  CE1 TYR A  32      -3.401  -6.065  -1.377  1.00  1.29           C
ATOM    448  CE2 TYR A  32      -4.318  -5.825   0.820  1.00  1.30           C
ATOM    449  CZ  TYR A  32      -3.491  -6.484  -0.066  1.00  1.34           C
ATOM    450  OH  TYR A  32      -2.759  -7.570   0.364  1.00  1.75           O
ATOM      0  H   TYR A  32      -6.458  -1.895  -3.786  1.00  0.38           H   new
ATOM      0  HA  TYR A  32      -6.857  -4.573  -2.590  1.00  0.42           H   new
ATOM      0  HB2 TYR A  32      -5.148  -2.360  -1.775  1.00  0.47           H   new
ATOM      0  HB3 TYR A  32      -6.344  -2.708  -0.542  1.00  0.47           H   new
ATOM      0  HD1 TYR A  32      -4.079  -4.657  -2.828  1.00  1.00           H   new
ATOM      0  HD2 TYR A  32      -5.715  -4.240   1.082  1.00  0.97           H   new
ATOM      0  HE1 TYR A  32      -2.749  -6.579  -2.068  1.00  1.29           H   new
ATOM      0  HE2 TYR A  32      -4.381  -6.150   1.848  1.00  1.30           H   new
ATOM      0  HH  TYR A  32      -2.938  -7.730   1.314  1.00  1.75           H   new
ATOM    460  N   PHE A  33      -8.804  -3.747  -1.113  1.00  0.48           N
ATOM    461  CA  PHE A  33     -10.224  -3.653  -0.749  1.00  0.54           C
ATOM    462  C   PHE A  33     -10.762  -2.221  -0.802  1.00  0.56           C
ATOM    463  O   PHE A  33     -11.740  -1.955  -1.496  1.00  1.24           O
ATOM    464  CB  PHE A  33     -10.434  -4.247   0.648  1.00  0.64           C
ATOM    465  CG  PHE A  33     -11.749  -4.962   0.804  1.00  1.00           C
ATOM    466  CD1 PHE A  33     -12.190  -5.847  -0.169  1.00  1.38           C
ATOM    467  CD2 PHE A  33     -12.544  -4.754   1.920  1.00  1.18           C
ATOM    468  CE1 PHE A  33     -13.396  -6.508  -0.033  1.00  1.86           C
ATOM    469  CE2 PHE A  33     -13.751  -5.412   2.062  1.00  1.63           C
ATOM    470  CZ  PHE A  33     -14.177  -6.290   1.085  1.00  1.96           C
ATOM      0  H   PHE A  33      -8.285  -4.413  -0.541  1.00  0.48           H   new
ATOM      0  HA  PHE A  33     -10.786  -4.222  -1.489  1.00  0.54           H   new
ATOM      0  HB2 PHE A  33      -9.623  -4.943   0.864  1.00  0.64           H   new
ATOM      0  HB3 PHE A  33     -10.374  -3.448   1.387  1.00  0.64           H   new
ATOM      0  HD1 PHE A  33     -11.583  -6.022  -1.045  1.00  1.38           H   new
ATOM      0  HD2 PHE A  33     -12.216  -4.069   2.688  1.00  1.18           H   new
ATOM      0  HE1 PHE A  33     -13.727  -7.193  -0.799  1.00  1.86           H   new
ATOM      0  HE2 PHE A  33     -14.361  -5.240   2.937  1.00  1.63           H   new
ATOM      0  HZ  PHE A  33     -15.120  -6.806   1.195  1.00  1.96           H   new
ATOM    480  N   LEU A  34     -10.131  -1.305  -0.077  1.00  0.56           N
ATOM    481  CA  LEU A  34     -10.516   0.101  -0.140  1.00  0.53           C
ATOM    482  C   LEU A  34      -9.277   0.973  -0.265  1.00  0.43           C
ATOM    483  O   LEU A  34      -9.134   1.975   0.439  1.00  0.49           O
ATOM    484  CB  LEU A  34     -11.325   0.536   1.094  1.00  0.63           C
ATOM    485  CG  LEU A  34     -12.717  -0.081   1.250  1.00  0.92           C
ATOM    486  CD1 LEU A  34     -12.646  -1.404   1.991  1.00  1.75           C
ATOM    487  CD2 LEU A  34     -13.646   0.886   1.967  1.00  1.57           C
ATOM      0  H   LEU A  34      -9.357  -1.507   0.556  1.00  0.56           H   new
ATOM      0  HA  LEU A  34     -11.151   0.224  -1.017  1.00  0.53           H   new
ATOM      0  HB2 LEU A  34     -10.744   0.297   1.985  1.00  0.63           H   new
ATOM      0  HB3 LEU A  34     -11.434   1.620   1.066  1.00  0.63           H   new
ATOM      0  HG  LEU A  34     -13.118  -0.275   0.255  1.00  0.92           H   new
ATOM      0 HD11 LEU A  34     -13.648  -1.821   2.088  1.00  1.75           H   new
ATOM      0 HD12 LEU A  34     -12.016  -2.099   1.435  1.00  1.75           H   new
ATOM      0 HD13 LEU A  34     -12.222  -1.244   2.982  1.00  1.75           H   new
ATOM      0 HD21 LEU A  34     -14.632   0.434   2.071  1.00  1.57           H   new
ATOM      0 HD22 LEU A  34     -13.244   1.111   2.955  1.00  1.57           H   new
ATOM      0 HD23 LEU A  34     -13.728   1.807   1.390  1.00  1.57           H   new
ATOM    499  N   GLY A  35      -8.370   0.586  -1.143  1.00  0.34           N
ATOM    500  CA  GLY A  35      -7.168   1.366  -1.321  1.00  0.34           C
ATOM    501  C   GLY A  35      -6.230   0.765  -2.334  1.00  0.28           C
ATOM    502  O   GLY A  35      -6.616  -0.115  -3.108  1.00  0.33           O
ATOM      0  H   GLY A  35      -8.442  -0.245  -1.730  1.00  0.34           H   new
ATOM      0  HA2 GLY A  35      -7.437   2.375  -1.635  1.00  0.34           H   new
ATOM      0  HA3 GLY A  35      -6.654   1.457  -0.364  1.00  0.34           H   new
ATOM    506  N   ILE A  36      -4.994   1.230  -2.329  1.00  0.24           N
ATOM    507  CA  ILE A  36      -4.018   0.777  -3.299  1.00  0.23           C
ATOM    508  C   ILE A  36      -2.683   0.442  -2.625  1.00  0.22           C
ATOM    509  O   ILE A  36      -2.168   1.213  -1.820  1.00  0.26           O
ATOM    510  CB  ILE A  36      -3.833   1.840  -4.413  1.00  0.27           C
ATOM    511  CG1 ILE A  36      -3.024   1.266  -5.570  1.00  0.29           C
ATOM    512  CG2 ILE A  36      -3.173   3.102  -3.869  1.00  0.31           C
ATOM    513  CD1 ILE A  36      -2.897   2.205  -6.750  1.00  0.37           C
ATOM      0  H   ILE A  36      -4.644   1.920  -1.664  1.00  0.24           H   new
ATOM      0  HA  ILE A  36      -4.390  -0.139  -3.758  1.00  0.23           H   new
ATOM      0  HB  ILE A  36      -4.821   2.114  -4.783  1.00  0.27           H   new
ATOM      0 HG12 ILE A  36      -2.027   1.010  -5.212  1.00  0.29           H   new
ATOM      0 HG13 ILE A  36      -3.491   0.339  -5.903  1.00  0.29           H   new
ATOM      0 HG21 ILE A  36      -3.057   3.828  -4.674  1.00  0.31           H   new
ATOM      0 HG22 ILE A  36      -3.796   3.528  -3.083  1.00  0.31           H   new
ATOM      0 HG23 ILE A  36      -2.193   2.853  -3.461  1.00  0.31           H   new
ATOM      0 HD11 ILE A  36      -2.308   1.727  -7.533  1.00  0.37           H   new
ATOM      0 HD12 ILE A  36      -3.889   2.442  -7.135  1.00  0.37           H   new
ATOM      0 HD13 ILE A  36      -2.402   3.123  -6.433  1.00  0.37           H   new
ATOM    525  N   CYS A  37      -2.156  -0.734  -2.925  1.00  0.24           N
ATOM    526  CA  CYS A  37      -0.889  -1.181  -2.356  1.00  0.27           C
ATOM    527  C   CYS A  37       0.253  -0.874  -3.321  1.00  0.24           C
ATOM    528  O   CYS A  37       0.554  -1.667  -4.213  1.00  0.33           O
ATOM    529  CB  CYS A  37      -0.952  -2.687  -2.055  1.00  0.37           C
ATOM    530  SG  CYS A  37       0.564  -3.386  -1.317  1.00  1.11           S
ATOM      0  H   CYS A  37      -2.587  -1.402  -3.563  1.00  0.24           H   new
ATOM      0  HA  CYS A  37      -0.707  -0.648  -1.423  1.00  0.27           H   new
ATOM      0  HB2 CYS A  37      -1.787  -2.873  -1.380  1.00  0.37           H   new
ATOM      0  HB3 CYS A  37      -1.167  -3.219  -2.982  1.00  0.37           H   new
ATOM    535  N   CYS A  38       0.871   0.287  -3.149  1.00  0.23           N
ATOM    536  CA  CYS A  38       1.912   0.740  -4.065  1.00  0.25           C
ATOM    537  C   CYS A  38       3.277   0.213  -3.628  1.00  0.20           C
ATOM    538  O   CYS A  38       3.702   0.439  -2.496  1.00  0.21           O
ATOM    539  CB  CYS A  38       1.933   2.271  -4.129  1.00  0.35           C
ATOM    540  SG  CYS A  38       0.322   3.029  -4.539  1.00  1.14           S
ATOM      0  H   CYS A  38       0.671   0.932  -2.385  1.00  0.23           H   new
ATOM      0  HA  CYS A  38       1.691   0.349  -5.058  1.00  0.25           H   new
ATOM      0  HB2 CYS A  38       2.269   2.659  -3.167  1.00  0.35           H   new
ATOM      0  HB3 CYS A  38       2.667   2.582  -4.872  1.00  0.35           H   new
ATOM    545  N   TYR A  39       3.961  -0.482  -4.530  1.00  0.21           N
ATOM    546  CA  TYR A  39       5.248  -1.081  -4.210  1.00  0.21           C
ATOM    547  C   TYR A  39       6.316  -0.663  -5.224  1.00  0.25           C
ATOM    548  O   TYR A  39       6.005  -0.336  -6.370  1.00  0.29           O
ATOM    549  CB  TYR A  39       5.132  -2.613  -4.148  1.00  0.24           C
ATOM    550  CG  TYR A  39       4.746  -3.281  -5.455  1.00  0.28           C
ATOM    551  CD1 TYR A  39       5.704  -3.586  -6.414  1.00  0.36           C
ATOM    552  CD2 TYR A  39       3.427  -3.627  -5.718  1.00  0.33           C
ATOM    553  CE1 TYR A  39       5.361  -4.212  -7.597  1.00  0.45           C
ATOM    554  CE2 TYR A  39       3.078  -4.260  -6.897  1.00  0.41           C
ATOM    555  CZ  TYR A  39       4.047  -4.550  -7.833  1.00  0.46           C
ATOM    556  OH  TYR A  39       3.703  -5.181  -9.007  1.00  0.57           O
ATOM      0  H   TYR A  39       3.645  -0.643  -5.486  1.00  0.21           H   new
ATOM      0  HA  TYR A  39       5.554  -0.718  -3.229  1.00  0.21           H   new
ATOM      0  HB2 TYR A  39       6.087  -3.021  -3.817  1.00  0.24           H   new
ATOM      0  HB3 TYR A  39       4.393  -2.876  -3.391  1.00  0.24           H   new
ATOM      0  HD1 TYR A  39       6.737  -3.329  -6.231  1.00  0.36           H   new
ATOM      0  HD2 TYR A  39       2.662  -3.398  -4.991  1.00  0.33           H   new
ATOM      0  HE1 TYR A  39       6.119  -4.435  -8.333  1.00  0.45           H   new
ATOM      0  HE2 TYR A  39       2.048  -4.527  -7.084  1.00  0.41           H   new
ATOM      0  HH  TYR A  39       2.738  -5.351  -9.017  1.00  0.57           H   new
ATOM    566  N   PRO A  40       7.592  -0.654  -4.813  1.00  0.28           N
ATOM    567  CA  PRO A  40       8.003  -0.954  -3.443  1.00  0.27           C
ATOM    568  C   PRO A  40       7.872   0.269  -2.546  1.00  0.31           C
ATOM    569  O   PRO A  40       7.600   1.369  -3.030  1.00  0.48           O
ATOM    570  CB  PRO A  40       9.482  -1.351  -3.586  1.00  0.45           C
ATOM    571  CG  PRO A  40       9.812  -1.229  -5.044  1.00  0.46           C
ATOM    572  CD  PRO A  40       8.750  -0.362  -5.655  1.00  0.36           C
ATOM      0  HA  PRO A  40       7.388  -1.730  -2.987  1.00  0.27           H   new
ATOM      0  HB2 PRO A  40      10.119  -0.700  -2.987  1.00  0.45           H   new
ATOM      0  HB3 PRO A  40       9.647  -2.369  -3.234  1.00  0.45           H   new
ATOM      0  HG2 PRO A  40      10.799  -0.787  -5.182  1.00  0.46           H   new
ATOM      0  HG3 PRO A  40       9.832  -2.210  -5.520  1.00  0.46           H   new
ATOM      0  HD2 PRO A  40       9.019   0.694  -5.625  1.00  0.36           H   new
ATOM      0  HD3 PRO A  40       8.568  -0.615  -6.699  1.00  0.36           H   new
ATOM    580  N   VAL A  41       8.062   0.081  -1.244  1.00  0.32           N
ATOM    581  CA  VAL A  41       7.998   1.194  -0.294  1.00  0.50           C
ATOM    582  C   VAL A  41       9.283   2.031  -0.349  1.00  0.62           C
ATOM    583  O   VAL A  41       9.874   2.364   0.685  1.00  0.74           O
ATOM    584  CB  VAL A  41       7.772   0.703   1.158  1.00  0.68           C
ATOM    585  CG1 VAL A  41       7.269   1.834   2.044  1.00  1.31           C
ATOM    586  CG2 VAL A  41       6.801  -0.461   1.196  1.00  1.13           C
ATOM      0  H   VAL A  41       8.261  -0.826  -0.821  1.00  0.32           H   new
ATOM      0  HA  VAL A  41       7.147   1.809  -0.587  1.00  0.50           H   new
ATOM      0  HB  VAL A  41       8.733   0.362   1.543  1.00  0.68           H   new
ATOM      0 HG11 VAL A  41       7.118   1.463   3.058  1.00  1.31           H   new
ATOM      0 HG12 VAL A  41       8.003   2.639   2.058  1.00  1.31           H   new
ATOM      0 HG13 VAL A  41       6.324   2.211   1.652  1.00  1.31           H   new
ATOM      0 HG21 VAL A  41       6.661  -0.785   2.227  1.00  1.13           H   new
ATOM      0 HG22 VAL A  41       5.843  -0.149   0.781  1.00  1.13           H   new
ATOM      0 HG23 VAL A  41       7.200  -1.287   0.607  1.00  1.13           H   new
ATOM    596  N   ASP A  42       9.708   2.356  -1.563  1.00  0.94           N
ATOM    597  CA  ASP A  42      10.885   3.188  -1.793  1.00  1.29           C
ATOM    598  C   ASP A  42      10.678   4.029  -3.038  1.00  1.78           C
ATOM    599  O   ASP A  42      11.208   3.648  -4.105  1.00  2.52           O
ATOM    600  CB  ASP A  42      12.149   2.346  -1.979  1.00  2.07           C
ATOM    601  CG  ASP A  42      12.688   1.775  -0.693  1.00  2.59           C
ATOM    602  OD1 ASP A  42      13.189   2.554   0.147  1.00  2.92           O
ATOM    603  OD2 ASP A  42      12.643   0.539  -0.524  1.00  3.08           O
ATOM    604  OXT ASP A  42       9.980   5.051  -2.952  1.00  2.26           O
ATOM      0  H   ASP A  42       9.246   2.050  -2.419  1.00  0.94           H   new
ATOM      0  HA  ASP A  42      11.016   3.821  -0.915  1.00  1.29           H   new
ATOM      0  HB2 ASP A  42      11.933   1.529  -2.667  1.00  2.07           H   new
ATOM      0  HB3 ASP A  42      12.919   2.960  -2.445  1.00  2.07           H   new
TER     609      ASP A  42