USER  MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=14
USER  MOD reduce.3.24.130724 removed 282 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Single : A   2 THR OG1 :   rot  132:sc=    1.24
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= 0.00157
USER  MOD Single : A  13 TYR OH  :   rot   27:sc=   0.397
USER  MOD Single : A  17 THR OG1 :   rot -133:sc=   0.732
USER  MOD Single : A  18 LYS NZ  :NH3+   -173:sc=-9.98e-05   (180deg=-0.0769)
USER  MOD Single : A  19 THR OG1 :   rot  180:sc=  -0.101
USER  MOD Single : A  22 SER OG  :   rot  -38:sc=     0.2
USER  MOD Single : A  23 ASN     :      amide:sc=  -0.388  K(o=-0.39,f=-2.1!)
USER  MOD Single : A  26 TYR OH  :   rot   80:sc=  0.0737
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     10  N   THR A   2      -0.203   0.663   7.535  1.00  1.13           N
ATOM     11  CA  THR A   2      -0.708  -0.280   6.551  1.00  0.62           C
ATOM     12  C   THR A   2       0.399  -0.750   5.607  1.00  0.47           C
ATOM     13  O   THR A   2       0.596  -0.199   4.524  1.00  0.51           O
ATOM     14  CB  THR A   2      -1.867   0.337   5.744  1.00  0.67           C
ATOM     15  OG1 THR A   2      -1.573   1.705   5.414  1.00  1.13           O
ATOM     16  CG2 THR A   2      -3.161   0.266   6.536  1.00  1.00           C
ATOM      0  HA  THR A   2      -1.082  -1.148   7.094  1.00  0.62           H   new
ATOM      0  HB  THR A   2      -1.985  -0.233   4.822  1.00  0.67           H   new
ATOM      0  HG1 THR A   2      -1.752   1.858   4.463  1.00  1.13           H   new
ATOM      0 HG21 THR A   2      -3.970   0.706   5.952  1.00  1.00           H   new
ATOM      0 HG22 THR A   2      -3.397  -0.775   6.755  1.00  1.00           H   new
ATOM      0 HG23 THR A   2      -3.047   0.817   7.470  1.00  1.00           H   new
ATOM     24  N   THR A   3       1.129  -1.765   6.037  1.00  0.58           N
ATOM     25  CA  THR A   3       2.195  -2.340   5.235  1.00  0.55           C
ATOM     26  C   THR A   3       1.718  -3.644   4.591  1.00  0.43           C
ATOM     27  O   THR A   3       1.053  -4.453   5.241  1.00  0.53           O
ATOM     28  CB  THR A   3       3.429  -2.608   6.114  1.00  0.70           C
ATOM     29  OG1 THR A   3       3.652  -1.482   6.977  1.00  1.12           O
ATOM     30  CG2 THR A   3       4.667  -2.855   5.265  1.00  0.98           C
ATOM      0  H   THR A   3       1.001  -2.211   6.945  1.00  0.58           H   new
ATOM      0  HA  THR A   3       2.467  -1.635   4.449  1.00  0.55           H   new
ATOM      0  HB  THR A   3       3.241  -3.503   6.708  1.00  0.70           H   new
ATOM      0  HG1 THR A   3       4.437  -1.651   7.539  1.00  1.12           H   new
ATOM      0 HG21 THR A   3       5.522  -3.041   5.914  1.00  0.98           H   new
ATOM      0 HG22 THR A   3       4.502  -3.722   4.625  1.00  0.98           H   new
ATOM      0 HG23 THR A   3       4.865  -1.979   4.647  1.00  0.98           H   new
ATOM     38  N   CYS A   4       2.039  -3.843   3.317  1.00  0.39           N
ATOM     39  CA  CYS A   4       1.557  -5.014   2.592  1.00  0.45           C
ATOM     40  C   CYS A   4       2.592  -5.509   1.585  1.00  0.38           C
ATOM     41  O   CYS A   4       3.392  -4.731   1.062  1.00  0.51           O
ATOM     42  CB  CYS A   4       0.243  -4.677   1.880  1.00  0.73           C
ATOM     43  SG  CYS A   4       0.327  -3.167   0.861  1.00  1.01           S
ATOM      0  H   CYS A   4       2.626  -3.215   2.768  1.00  0.39           H   new
ATOM      0  HA  CYS A   4       1.384  -5.814   3.311  1.00  0.45           H   new
ATOM      0  HB2 CYS A   4      -0.042  -5.517   1.246  1.00  0.73           H   new
ATOM      0  HB3 CYS A   4      -0.544  -4.558   2.625  1.00  0.73           H   new
ATOM     48  N   TYR A   5       2.590  -6.809   1.335  1.00  0.47           N
ATOM     49  CA  TYR A   5       3.450  -7.400   0.323  1.00  0.50           C
ATOM     50  C   TYR A   5       2.623  -7.816  -0.887  1.00  0.61           C
ATOM     51  O   TYR A   5       1.623  -8.516  -0.750  1.00  0.85           O
ATOM     52  CB  TYR A   5       4.186  -8.631   0.871  1.00  0.58           C
ATOM     53  CG  TYR A   5       5.281  -8.333   1.875  1.00  0.56           C
ATOM     54  CD1 TYR A   5       4.996  -8.174   3.225  1.00  0.63           C
ATOM     55  CD2 TYR A   5       6.605  -8.234   1.468  1.00  0.59           C
ATOM     56  CE1 TYR A   5       5.998  -7.920   4.141  1.00  0.69           C
ATOM     57  CE2 TYR A   5       7.614  -7.985   2.379  1.00  0.66           C
ATOM     58  CZ  TYR A   5       7.305  -7.828   3.713  1.00  0.70           C
ATOM     59  OH  TYR A   5       8.308  -7.579   4.622  1.00  0.81           O
ATOM      0  H   TYR A   5       1.997  -7.479   1.824  1.00  0.47           H   new
ATOM      0  HA  TYR A   5       4.185  -6.650   0.032  1.00  0.50           H   new
ATOM      0  HB2 TYR A   5       3.457  -9.293   1.338  1.00  0.58           H   new
ATOM      0  HB3 TYR A   5       4.621  -9.177   0.034  1.00  0.58           H   new
ATOM      0  HD1 TYR A   5       3.974  -8.250   3.564  1.00  0.63           H   new
ATOM      0  HD2 TYR A   5       6.850  -8.353   0.423  1.00  0.59           H   new
ATOM      0  HE1 TYR A   5       5.759  -7.794   5.187  1.00  0.69           H   new
ATOM      0  HE2 TYR A   5       8.639  -7.914   2.047  1.00  0.66           H   new
ATOM      0  HH  TYR A   5       9.170  -7.546   4.157  1.00  0.81           H   new
ATOM     69  N   CYS A   6       3.026  -7.377  -2.067  1.00  0.51           N
ATOM     70  CA  CYS A   6       2.402  -7.846  -3.294  1.00  0.62           C
ATOM     71  C   CYS A   6       3.265  -8.955  -3.876  1.00  0.70           C
ATOM     72  O   CYS A   6       4.264  -8.693  -4.557  1.00  0.69           O
ATOM     73  CB  CYS A   6       2.227  -6.701  -4.300  1.00  0.61           C
ATOM     74  SG  CYS A   6       1.158  -7.119  -5.721  1.00  1.20           S
ATOM      0  H   CYS A   6       3.778  -6.701  -2.202  1.00  0.51           H   new
ATOM      0  HA  CYS A   6       1.406  -8.230  -3.074  1.00  0.62           H   new
ATOM      0  HB2 CYS A   6       1.807  -5.838  -3.783  1.00  0.61           H   new
ATOM      0  HB3 CYS A   6       3.208  -6.404  -4.671  1.00  0.61           H   new
ATOM     79  N   GLY A   7       2.901 -10.195  -3.571  1.00  0.85           N
ATOM     80  CA  GLY A   7       3.738 -11.316  -3.933  1.00  0.97           C
ATOM     81  C   GLY A   7       4.982 -11.357  -3.071  1.00  0.93           C
ATOM     82  O   GLY A   7       4.968 -11.921  -1.978  1.00  1.01           O
ATOM      0  H   GLY A   7       2.041 -10.441  -3.080  1.00  0.85           H   new
ATOM      0  HA2 GLY A   7       3.179 -12.245  -3.818  1.00  0.97           H   new
ATOM      0  HA3 GLY A   7       4.020 -11.241  -4.983  1.00  0.97           H   new
ATOM     86  N   LYS A   8       6.051 -10.745  -3.553  1.00  0.91           N
ATOM     87  CA  LYS A   8       7.255 -10.584  -2.761  1.00  0.94           C
ATOM     88  C   LYS A   8       7.589  -9.111  -2.590  1.00  0.79           C
ATOM     89  O   LYS A   8       8.404  -8.748  -1.742  1.00  0.86           O
ATOM     90  CB  LYS A   8       8.446 -11.290  -3.408  1.00  1.16           C
ATOM     91  CG  LYS A   8       8.318 -12.801  -3.467  1.00  1.65           C
ATOM     92  CD  LYS A   8       9.604 -13.439  -3.963  1.00  2.18           C
ATOM     93  CE  LYS A   8       9.508 -14.953  -3.975  1.00  3.07           C
ATOM     94  NZ  LYS A   8      10.814 -15.593  -4.280  1.00  3.65           N
ATOM      0  H   LYS A   8       6.108 -10.351  -4.492  1.00  0.91           H   new
ATOM      0  HA  LYS A   8       7.063 -11.034  -1.787  1.00  0.94           H   new
ATOM      0  HB2 LYS A   8       8.574 -10.908  -4.421  1.00  1.16           H   new
ATOM      0  HB3 LYS A   8       9.350 -11.035  -2.854  1.00  1.16           H   new
ATOM      0  HG2 LYS A   8       8.075 -13.187  -2.477  1.00  1.65           H   new
ATOM      0  HG3 LYS A   8       7.495 -13.074  -4.127  1.00  1.65           H   new
ATOM      0  HD2 LYS A   8       9.825 -13.080  -4.968  1.00  2.18           H   new
ATOM      0  HD3 LYS A   8      10.433 -13.131  -3.325  1.00  2.18           H   new
ATOM      0  HE2 LYS A   8       9.152 -15.301  -3.005  1.00  3.07           H   new
ATOM      0  HE3 LYS A   8       8.771 -15.263  -4.716  1.00  3.07           H   new
ATOM      0  HZ1 LYS A   8      10.703 -16.627  -4.278  1.00  3.65           H   new
ATOM      0  HZ2 LYS A   8      11.143 -15.282  -5.216  1.00  3.65           H   new
ATOM      0  HZ3 LYS A   8      11.512 -15.319  -3.559  1.00  3.65           H   new
ATOM    108  N   THR A   9       6.957  -8.264  -3.388  1.00  0.66           N
ATOM    109  CA  THR A   9       7.299  -6.856  -3.405  1.00  0.55           C
ATOM    110  C   THR A   9       6.689  -6.134  -2.211  1.00  0.42           C
ATOM    111  O   THR A   9       5.465  -6.049  -2.080  1.00  0.42           O
ATOM    112  CB  THR A   9       6.826  -6.186  -4.702  1.00  0.55           C
ATOM    113  OG1 THR A   9       6.926  -7.112  -5.794  1.00  0.72           O
ATOM    114  CG2 THR A   9       7.675  -4.962  -5.002  1.00  0.50           C
ATOM      0  H   THR A   9       6.208  -8.528  -4.028  1.00  0.66           H   new
ATOM      0  HA  THR A   9       8.385  -6.786  -3.348  1.00  0.55           H   new
ATOM      0  HB  THR A   9       5.787  -5.880  -4.577  1.00  0.55           H   new
ATOM      0  HG1 THR A   9       6.621  -6.679  -6.619  1.00  0.72           H   new
ATOM      0 HG21 THR A   9       7.329  -4.496  -5.925  1.00  0.50           H   new
ATOM      0 HG22 THR A   9       7.589  -4.250  -4.182  1.00  0.50           H   new
ATOM      0 HG23 THR A   9       8.717  -5.261  -5.115  1.00  0.50           H   new
ATOM    122  N   ILE A  10       7.549  -5.632  -1.337  1.00  0.39           N
ATOM    123  CA  ILE A  10       7.108  -4.902  -0.160  1.00  0.32           C
ATOM    124  C   ILE A  10       6.623  -3.500  -0.538  1.00  0.24           C
ATOM    125  O   ILE A  10       7.335  -2.730  -1.194  1.00  0.31           O
ATOM    126  CB  ILE A  10       8.234  -4.819   0.906  1.00  0.46           C
ATOM    127  CG1 ILE A  10       7.787  -3.978   2.107  1.00  0.64           C
ATOM    128  CG2 ILE A  10       9.518  -4.257   0.308  1.00  0.56           C
ATOM    129  CD1 ILE A  10       6.583  -4.535   2.832  1.00  1.06           C
ATOM      0  H   ILE A  10       8.562  -5.718  -1.423  1.00  0.39           H   new
ATOM      0  HA  ILE A  10       6.272  -5.450   0.275  1.00  0.32           H   new
ATOM      0  HB  ILE A  10       8.438  -5.832   1.252  1.00  0.46           H   new
ATOM      0 HG12 ILE A  10       8.616  -3.897   2.810  1.00  0.64           H   new
ATOM      0 HG13 ILE A  10       7.558  -2.968   1.766  1.00  0.64           H   new
ATOM      0 HG21 ILE A  10      10.288  -4.211   1.078  1.00  0.56           H   new
ATOM      0 HG22 ILE A  10       9.854  -4.902  -0.503  1.00  0.56           H   new
ATOM      0 HG23 ILE A  10       9.331  -3.255  -0.079  1.00  0.56           H   new
ATOM      0 HD11 ILE A  10       6.329  -3.884   3.669  1.00  1.06           H   new
ATOM      0 HD12 ILE A  10       5.738  -4.590   2.145  1.00  1.06           H   new
ATOM      0 HD13 ILE A  10       6.813  -5.533   3.206  1.00  1.06           H   new
ATOM    141  N   GLY A  11       5.400  -3.186  -0.140  1.00  0.22           N
ATOM    142  CA  GLY A  11       4.835  -1.891  -0.433  1.00  0.32           C
ATOM    143  C   GLY A  11       3.977  -1.375   0.699  1.00  0.28           C
ATOM    144  O   GLY A  11       3.872  -2.009   1.756  1.00  0.36           O
ATOM      0  H   GLY A  11       4.787  -3.811   0.384  1.00  0.22           H   new
ATOM      0  HA2 GLY A  11       5.639  -1.182  -0.630  1.00  0.32           H   new
ATOM      0  HA3 GLY A  11       4.236  -1.955  -1.341  1.00  0.32           H   new
ATOM    148  N   ILE A  12       3.364  -0.230   0.480  1.00  0.25           N
ATOM    149  CA  ILE A  12       2.517   0.382   1.485  1.00  0.25           C
ATOM    150  C   ILE A  12       1.091   0.495   0.956  1.00  0.22           C
ATOM    151  O   ILE A  12       0.862   0.883  -0.194  1.00  0.22           O
ATOM    152  CB  ILE A  12       3.092   1.758   1.930  1.00  0.30           C
ATOM    153  CG1 ILE A  12       2.284   2.386   3.084  1.00  0.33           C
ATOM    154  CG2 ILE A  12       3.187   2.710   0.748  1.00  0.30           C
ATOM    155  CD1 ILE A  12       1.052   3.166   2.659  1.00  0.29           C
ATOM      0  H   ILE A  12       3.437   0.298  -0.389  1.00  0.25           H   new
ATOM      0  HA  ILE A  12       2.495  -0.249   2.373  1.00  0.25           H   new
ATOM      0  HB  ILE A  12       4.097   1.578   2.311  1.00  0.30           H   new
ATOM      0 HG12 ILE A  12       1.975   1.592   3.765  1.00  0.33           H   new
ATOM      0 HG13 ILE A  12       2.940   3.051   3.646  1.00  0.33           H   new
ATOM      0 HG21 ILE A  12       3.591   3.666   1.082  1.00  0.30           H   new
ATOM      0 HG22 ILE A  12       3.843   2.284  -0.011  1.00  0.30           H   new
ATOM      0 HG23 ILE A  12       2.195   2.864   0.324  1.00  0.30           H   new
ATOM      0 HD11 ILE A  12       0.553   3.567   3.541  1.00  0.29           H   new
ATOM      0 HD12 ILE A  12       1.348   3.986   2.005  1.00  0.29           H   new
ATOM      0 HD13 ILE A  12       0.369   2.505   2.125  1.00  0.29           H   new
ATOM    167  N   TYR A  13       0.142   0.113   1.795  1.00  0.24           N
ATOM    168  CA  TYR A  13      -1.262   0.085   1.427  1.00  0.23           C
ATOM    169  C   TYR A  13      -1.899   1.456   1.634  1.00  0.21           C
ATOM    170  O   TYR A  13      -2.202   1.850   2.762  1.00  0.26           O
ATOM    171  CB  TYR A  13      -1.971  -0.999   2.254  1.00  0.28           C
ATOM    172  CG  TYR A  13      -3.482  -0.946   2.238  1.00  0.32           C
ATOM    173  CD1 TYR A  13      -4.204  -0.874   1.051  1.00  0.53           C
ATOM    174  CD2 TYR A  13      -4.188  -0.971   3.433  1.00  0.49           C
ATOM    175  CE1 TYR A  13      -5.586  -0.828   1.063  1.00  0.65           C
ATOM    176  CE2 TYR A  13      -5.562  -0.927   3.451  1.00  0.61           C
ATOM    177  CZ  TYR A  13      -6.257  -0.855   2.267  1.00  0.64           C
ATOM    178  OH  TYR A  13      -7.629  -0.805   2.295  1.00  0.80           O
ATOM      0  H   TYR A  13       0.325  -0.187   2.753  1.00  0.24           H   new
ATOM      0  HA  TYR A  13      -1.363  -0.157   0.369  1.00  0.23           H   new
ATOM      0  HB2 TYR A  13      -1.655  -1.976   1.887  1.00  0.28           H   new
ATOM      0  HB3 TYR A  13      -1.633  -0.922   3.287  1.00  0.28           H   new
ATOM      0  HD1 TYR A  13      -3.678  -0.854   0.108  1.00  0.53           H   new
ATOM      0  HD2 TYR A  13      -3.648  -1.026   4.366  1.00  0.49           H   new
ATOM      0  HE1 TYR A  13      -6.136  -0.771   0.135  1.00  0.65           H   new
ATOM      0  HE2 TYR A  13      -6.093  -0.949   4.391  1.00  0.61           H   new
ATOM      0  HH  TYR A  13      -7.987  -1.181   1.464  1.00  0.80           H   new
ATOM    188  N   TRP A  14      -2.071   2.181   0.539  1.00  0.20           N
ATOM    189  CA  TRP A  14      -2.724   3.478   0.570  1.00  0.20           C
ATOM    190  C   TRP A  14      -4.237   3.298   0.555  1.00  0.21           C
ATOM    191  O   TRP A  14      -4.820   2.917  -0.463  1.00  0.27           O
ATOM    192  CB  TRP A  14      -2.292   4.334  -0.628  1.00  0.23           C
ATOM    193  CG  TRP A  14      -0.861   4.769  -0.586  1.00  0.23           C
ATOM    194  CD1 TRP A  14       0.221   4.102  -1.087  1.00  0.28           C
ATOM    195  CD2 TRP A  14      -0.356   5.984  -0.022  1.00  0.28           C
ATOM    196  NE1 TRP A  14       1.368   4.829  -0.862  1.00  0.31           N
ATOM    197  CE2 TRP A  14       1.040   5.984  -0.207  1.00  0.31           C
ATOM    198  CE3 TRP A  14      -0.947   7.069   0.628  1.00  0.35           C
ATOM    199  CZ2 TRP A  14       1.852   7.033   0.226  1.00  0.40           C
ATOM    200  CZ3 TRP A  14      -0.141   8.106   1.057  1.00  0.45           C
ATOM    201  CH2 TRP A  14       1.244   8.081   0.858  1.00  0.47           C
ATOM      0  H   TRP A  14      -1.764   1.889  -0.389  1.00  0.20           H   new
ATOM      0  HA  TRP A  14      -2.429   3.989   1.486  1.00  0.20           H   new
ATOM      0  HB2 TRP A  14      -2.462   3.769  -1.544  1.00  0.23           H   new
ATOM      0  HB3 TRP A  14      -2.928   5.218  -0.677  1.00  0.23           H   new
ATOM      0  HD1 TRP A  14       0.182   3.145  -1.586  1.00  0.28           H   new
ATOM      0  HE1 TRP A  14       2.310   4.551  -1.139  1.00  0.31           H   new
ATOM      0  HE3 TRP A  14      -2.014   7.097   0.792  1.00  0.35           H   new
ATOM      0  HZ2 TRP A  14       2.920   7.017   0.068  1.00  0.40           H   new
ATOM      0  HZ3 TRP A  14      -0.589   8.953   1.556  1.00  0.45           H   new
ATOM      0  HH2 TRP A  14       1.844   8.906   1.211  1.00  0.47           H   new
ATOM    212  N   PHE A  15      -4.865   3.554   1.687  1.00  0.32           N
ATOM    213  CA  PHE A  15      -6.308   3.427   1.803  1.00  0.38           C
ATOM    214  C   PHE A  15      -6.964   4.788   1.612  1.00  0.41           C
ATOM    215  O   PHE A  15      -6.956   5.622   2.518  1.00  0.57           O
ATOM    216  CB  PHE A  15      -6.687   2.838   3.171  1.00  0.46           C
ATOM    217  CG  PHE A  15      -8.169   2.731   3.406  1.00  0.55           C
ATOM    218  CD1 PHE A  15      -8.923   1.796   2.714  1.00  0.65           C
ATOM    219  CD2 PHE A  15      -8.809   3.559   4.312  1.00  0.62           C
ATOM    220  CE1 PHE A  15     -10.284   1.691   2.920  1.00  0.75           C
ATOM    221  CE2 PHE A  15     -10.170   3.458   4.523  1.00  0.70           C
ATOM    222  CZ  PHE A  15     -10.907   2.544   3.854  1.00  0.75           C
ATOM      0  H   PHE A  15      -4.398   3.852   2.543  1.00  0.32           H   new
ATOM      0  HA  PHE A  15      -6.665   2.750   1.027  1.00  0.38           H   new
ATOM      0  HB2 PHE A  15      -6.243   1.847   3.263  1.00  0.46           H   new
ATOM      0  HB3 PHE A  15      -6.250   3.457   3.954  1.00  0.46           H   new
ATOM      0  HD1 PHE A  15      -8.439   1.141   2.004  1.00  0.65           H   new
ATOM      0  HD2 PHE A  15      -8.237   4.293   4.860  1.00  0.62           H   new
ATOM      0  HE1 PHE A  15     -10.865   0.964   2.372  1.00  0.75           H   new
ATOM      0  HE2 PHE A  15     -10.651   4.117   5.231  1.00  0.70           H   new
ATOM      0  HZ  PHE A  15     -11.969   2.467   4.034  1.00  0.75           H   new
ATOM    232  N   GLY A  16      -7.501   5.019   0.424  1.00  0.50           N
ATOM    233  CA  GLY A  16      -8.179   6.268   0.149  1.00  0.60           C
ATOM    234  C   GLY A  16      -7.910   6.787  -1.246  1.00  0.65           C
ATOM    235  O   GLY A  16      -8.820   7.280  -1.915  1.00  1.07           O
ATOM      0  H   GLY A  16      -7.479   4.362  -0.356  1.00  0.50           H   new
ATOM      0  HA2 GLY A  16      -9.252   6.130   0.279  1.00  0.60           H   new
ATOM      0  HA3 GLY A  16      -7.863   7.015   0.877  1.00  0.60           H   new
ATOM    239  N   THR A  17      -6.664   6.687  -1.689  1.00  0.46           N
ATOM    240  CA  THR A  17      -6.293   7.166  -3.011  1.00  0.47           C
ATOM    241  C   THR A  17      -6.301   6.023  -4.017  1.00  0.50           C
ATOM    242  O   THR A  17      -6.159   4.854  -3.653  1.00  0.57           O
ATOM    243  CB  THR A  17      -4.903   7.853  -3.013  1.00  0.48           C
ATOM    244  OG1 THR A  17      -4.561   8.278  -4.342  1.00  0.56           O
ATOM    245  CG2 THR A  17      -3.815   6.927  -2.485  1.00  0.47           C
ATOM      0  H   THR A  17      -5.897   6.280  -1.154  1.00  0.46           H   new
ATOM      0  HA  THR A  17      -7.036   7.910  -3.300  1.00  0.47           H   new
ATOM      0  HB  THR A  17      -4.967   8.718  -2.352  1.00  0.48           H   new
ATOM      0  HG1 THR A  17      -3.639   8.012  -4.543  1.00  0.56           H   new
ATOM      0 HG21 THR A  17      -2.856   7.445  -2.502  1.00  0.47           H   new
ATOM      0 HG22 THR A  17      -4.051   6.635  -1.462  1.00  0.47           H   new
ATOM      0 HG23 THR A  17      -3.758   6.038  -3.112  1.00  0.47           H   new
ATOM    253  N   LYS A  18      -6.492   6.376  -5.277  1.00  0.58           N
ATOM    254  CA  LYS A  18      -6.488   5.408  -6.359  1.00  0.69           C
ATOM    255  C   LYS A  18      -5.161   5.473  -7.101  1.00  0.64           C
ATOM    256  O   LYS A  18      -4.901   4.679  -8.006  1.00  0.71           O
ATOM    257  CB  LYS A  18      -7.630   5.705  -7.340  1.00  0.91           C
ATOM    258  CG  LYS A  18      -7.423   6.985  -8.138  1.00  1.70           C
ATOM    259  CD  LYS A  18      -8.498   7.181  -9.197  1.00  2.32           C
ATOM    260  CE  LYS A  18      -8.193   8.376 -10.087  1.00  3.29           C
ATOM    261  NZ  LYS A  18      -8.135   9.649  -9.321  1.00  3.98           N
ATOM      0  H   LYS A  18      -6.653   7.337  -5.577  1.00  0.58           H   new
ATOM      0  HA  LYS A  18      -6.626   4.412  -5.938  1.00  0.69           H   new
ATOM      0  HB2 LYS A  18      -7.733   4.868  -8.030  1.00  0.91           H   new
ATOM      0  HB3 LYS A  18      -8.566   5.778  -6.786  1.00  0.91           H   new
ATOM      0  HG2 LYS A  18      -7.423   7.838  -7.460  1.00  1.70           H   new
ATOM      0  HG3 LYS A  18      -6.444   6.959  -8.617  1.00  1.70           H   new
ATOM      0  HD2 LYS A  18      -8.576   6.282  -9.808  1.00  2.32           H   new
ATOM      0  HD3 LYS A  18      -9.465   7.323  -8.714  1.00  2.32           H   new
ATOM      0  HE2 LYS A  18      -7.241   8.216 -10.594  1.00  3.29           H   new
ATOM      0  HE3 LYS A  18      -8.957   8.454 -10.861  1.00  3.29           H   new
ATOM      0  HZ1 LYS A  18      -8.043  10.447  -9.981  1.00  3.98           H   new
ATOM      0  HZ2 LYS A  18      -9.006   9.759  -8.764  1.00  3.98           H   new
ATOM      0  HZ3 LYS A  18      -7.315   9.632  -8.682  1.00  3.98           H   new
ATOM    275  N   THR A  19      -4.327   6.427  -6.715  1.00  0.62           N
ATOM    276  CA  THR A  19      -3.106   6.699  -7.442  1.00  0.69           C
ATOM    277  C   THR A  19      -1.896   6.663  -6.517  1.00  0.60           C
ATOM    278  O   THR A  19      -1.918   7.231  -5.427  1.00  0.89           O
ATOM    279  CB  THR A  19      -3.189   8.072  -8.136  1.00  0.84           C
ATOM    280  OG1 THR A  19      -4.292   8.079  -9.056  1.00  1.60           O
ATOM    281  CG2 THR A  19      -1.903   8.405  -8.877  1.00  1.50           C
ATOM      0  H   THR A  19      -4.478   7.024  -5.901  1.00  0.62           H   new
ATOM      0  HA  THR A  19      -2.987   5.921  -8.196  1.00  0.69           H   new
ATOM      0  HB  THR A  19      -3.338   8.830  -7.367  1.00  0.84           H   new
ATOM      0  HG1 THR A  19      -4.345   8.953  -9.496  1.00  1.60           H   new
ATOM      0 HG21 THR A  19      -2.000   9.381  -9.354  1.00  1.50           H   new
ATOM      0 HG22 THR A  19      -1.072   8.426  -8.172  1.00  1.50           H   new
ATOM      0 HG23 THR A  19      -1.714   7.647  -9.637  1.00  1.50           H   new
ATOM    289  N   CYS A  20      -0.854   5.975  -6.957  1.00  0.60           N
ATOM    290  CA  CYS A  20       0.396   5.929  -6.222  1.00  0.62           C
ATOM    291  C   CYS A  20       1.102   7.277  -6.287  1.00  0.52           C
ATOM    292  O   CYS A  20       1.405   7.769  -7.374  1.00  0.65           O
ATOM    293  CB  CYS A  20       1.308   4.841  -6.790  1.00  0.87           C
ATOM    294  SG  CYS A  20       0.695   3.152  -6.523  1.00  0.91           S
ATOM      0  H   CYS A  20      -0.852   5.439  -7.825  1.00  0.60           H   new
ATOM      0  HA  CYS A  20       0.172   5.697  -5.181  1.00  0.62           H   new
ATOM      0  HB2 CYS A  20       1.432   5.007  -7.860  1.00  0.87           H   new
ATOM      0  HB3 CYS A  20       2.295   4.935  -6.337  1.00  0.87           H   new
ATOM    299  N   PRO A  21       1.358   7.888  -5.118  1.00  0.45           N
ATOM    300  CA  PRO A  21       2.058   9.175  -5.026  1.00  0.56           C
ATOM    301  C   PRO A  21       3.392   9.154  -5.772  1.00  0.71           C
ATOM    302  O   PRO A  21       4.360   8.517  -5.338  1.00  0.82           O
ATOM    303  CB  PRO A  21       2.273   9.355  -3.520  1.00  0.62           C
ATOM    304  CG  PRO A  21       1.192   8.550  -2.886  1.00  0.51           C
ATOM    305  CD  PRO A  21       0.975   7.373  -3.793  1.00  0.49           C
ATOM      0  HA  PRO A  21       1.493   9.989  -5.481  1.00  0.56           H   new
ATOM      0  HB2 PRO A  21       3.259   9.004  -3.216  1.00  0.62           H   new
ATOM      0  HB3 PRO A  21       2.206  10.404  -3.233  1.00  0.62           H   new
ATOM      0  HG2 PRO A  21       1.481   8.226  -1.886  1.00  0.51           H   new
ATOM      0  HG3 PRO A  21       0.279   9.136  -2.780  1.00  0.51           H   new
ATOM      0  HD2 PRO A  21       1.589   6.521  -3.500  1.00  0.49           H   new
ATOM      0  HD3 PRO A  21      -0.062   7.039  -3.776  1.00  0.49           H   new
ATOM    313  N   SER A  22       3.437   9.861  -6.898  1.00  0.99           N
ATOM    314  CA  SER A  22       4.597   9.854  -7.779  1.00  1.26           C
ATOM    315  C   SER A  22       5.742  10.678  -7.200  1.00  1.32           C
ATOM    316  O   SER A  22       6.827  10.764  -7.774  1.00  1.83           O
ATOM    317  CB  SER A  22       4.201  10.369  -9.169  1.00  1.68           C
ATOM    318  OG  SER A  22       5.220  10.136 -10.125  1.00  2.07           O
ATOM      0  H   SER A  22       2.672  10.452  -7.223  1.00  0.99           H   new
ATOM      0  HA  SER A  22       4.951   8.827  -7.871  1.00  1.26           H   new
ATOM      0  HB2 SER A  22       3.282   9.879  -9.490  1.00  1.68           H   new
ATOM      0  HB3 SER A  22       3.990  11.437  -9.115  1.00  1.68           H   new
ATOM      0  HG  SER A  22       6.097  10.273  -9.709  1.00  2.07           H   new
ATOM    324  N   ASN A  23       5.492  11.257  -6.043  1.00  1.04           N
ATOM    325  CA  ASN A  23       6.517  11.992  -5.309  1.00  1.20           C
ATOM    326  C   ASN A  23       7.381  11.020  -4.516  1.00  1.07           C
ATOM    327  O   ASN A  23       8.440  11.380  -4.010  1.00  1.27           O
ATOM    328  CB  ASN A  23       5.885  13.018  -4.364  1.00  1.39           C
ATOM    329  CG  ASN A  23       4.988  12.379  -3.317  1.00  1.32           C
ATOM    330  OD1 ASN A  23       3.796  12.178  -3.548  1.00  1.83           O
ATOM    331  ND2 ASN A  23       5.546  12.062  -2.157  1.00  1.61           N
ATOM      0  H   ASN A  23       4.582  11.235  -5.583  1.00  1.04           H   new
ATOM      0  HA  ASN A  23       7.138  12.527  -6.028  1.00  1.20           H   new
ATOM      0  HB2 ASN A  23       6.674  13.581  -3.865  1.00  1.39           H   new
ATOM      0  HB3 ASN A  23       5.304  13.733  -4.947  1.00  1.39           H   new
ATOM      0 HD21 ASN A  23       4.984  11.637  -1.420  1.00  1.61           H   new
ATOM      0 HD22 ASN A  23       6.538  12.244  -2.002  1.00  1.61           H   new
ATOM    338  N   ARG A  24       6.907   9.785  -4.403  1.00  0.95           N
ATOM    339  CA  ARG A  24       7.652   8.736  -3.722  1.00  1.02           C
ATOM    340  C   ARG A  24       8.563   8.015  -4.707  1.00  1.13           C
ATOM    341  O   ARG A  24       9.778   7.947  -4.520  1.00  1.71           O
ATOM    342  CB  ARG A  24       6.696   7.735  -3.071  1.00  1.06           C
ATOM    343  CG  ARG A  24       5.893   8.296  -1.909  1.00  1.42           C
ATOM    344  CD  ARG A  24       6.774   8.543  -0.696  1.00  1.41           C
ATOM    345  NE  ARG A  24       5.995   8.869   0.498  1.00  2.03           N
ATOM    346  CZ  ARG A  24       6.000   8.132   1.610  1.00  2.71           C
ATOM    347  NH1 ARG A  24       6.721   7.016   1.663  1.00  3.19           N
ATOM    348  NH2 ARG A  24       5.299   8.518   2.667  1.00  3.39           N
ATOM      0  H   ARG A  24       6.006   9.486  -4.776  1.00  0.95           H   new
ATOM      0  HA  ARG A  24       8.261   9.196  -2.944  1.00  1.02           H   new
ATOM      0  HB2 ARG A  24       6.005   7.366  -3.829  1.00  1.06           H   new
ATOM      0  HB3 ARG A  24       7.271   6.878  -2.719  1.00  1.06           H   new
ATOM      0  HG2 ARG A  24       5.416   9.229  -2.211  1.00  1.42           H   new
ATOM      0  HG3 ARG A  24       5.096   7.601  -1.646  1.00  1.42           H   new
ATOM      0  HD2 ARG A  24       7.378   7.657  -0.502  1.00  1.41           H   new
ATOM      0  HD3 ARG A  24       7.464   9.359  -0.911  1.00  1.41           H   new
ATOM      0  HE  ARG A  24       5.415   9.708   0.480  1.00  2.03           H   new
ATOM      0 HH11 ARG A  24       7.269   6.724   0.854  1.00  3.19           H   new
ATOM      0 HH12 ARG A  24       6.726   6.452   2.513  1.00  3.19           H   new
ATOM      0 HH21 ARG A  24       4.755   9.380   2.631  1.00  3.39           H   new
ATOM      0 HH22 ARG A  24       5.304   7.953   3.516  1.00  3.39           H   new
ATOM    362  N   GLY A  25       7.968   7.507  -5.779  1.00  0.93           N
ATOM    363  CA  GLY A  25       8.730   6.795  -6.784  1.00  1.10           C
ATOM    364  C   GLY A  25       8.315   5.345  -6.902  1.00  0.81           C
ATOM    365  O   GLY A  25       9.134   4.481  -7.217  1.00  0.78           O
ATOM      0  H   GLY A  25       6.968   7.576  -5.970  1.00  0.93           H   new
ATOM      0  HA2 GLY A  25       8.602   7.286  -7.749  1.00  1.10           H   new
ATOM      0  HA3 GLY A  25       9.790   6.848  -6.537  1.00  1.10           H   new
ATOM    369  N   TYR A  26       7.041   5.074  -6.641  1.00  0.71           N
ATOM    370  CA  TYR A  26       6.508   3.723  -6.741  1.00  0.50           C
ATOM    371  C   TYR A  26       6.596   3.225  -8.173  1.00  0.49           C
ATOM    372  O   TYR A  26       6.220   3.929  -9.112  1.00  0.71           O
ATOM    373  CB  TYR A  26       5.055   3.679  -6.260  1.00  0.51           C
ATOM    374  CG  TYR A  26       4.886   4.082  -4.814  1.00  0.93           C
ATOM    375  CD1 TYR A  26       5.435   3.317  -3.795  1.00  1.52           C
ATOM    376  CD2 TYR A  26       4.178   5.225  -4.469  1.00  1.20           C
ATOM    377  CE1 TYR A  26       5.283   3.679  -2.472  1.00  2.35           C
ATOM    378  CE2 TYR A  26       4.021   5.591  -3.148  1.00  2.02           C
ATOM    379  CZ  TYR A  26       4.578   4.816  -2.154  1.00  2.61           C
ATOM    380  OH  TYR A  26       4.428   5.181  -0.840  1.00  3.45           O
ATOM      0  H   TYR A  26       6.357   5.776  -6.358  1.00  0.71           H   new
ATOM      0  HA  TYR A  26       7.106   3.072  -6.103  1.00  0.50           H   new
ATOM      0  HB2 TYR A  26       4.454   4.339  -6.885  1.00  0.51           H   new
ATOM      0  HB3 TYR A  26       4.666   2.670  -6.395  1.00  0.51           H   new
ATOM      0  HD1 TYR A  26       5.990   2.424  -4.041  1.00  1.52           H   new
ATOM      0  HD2 TYR A  26       3.744   5.837  -5.246  1.00  1.20           H   new
ATOM      0  HE1 TYR A  26       5.716   3.072  -1.690  1.00  2.35           H   new
ATOM      0  HE2 TYR A  26       3.464   6.481  -2.894  1.00  2.02           H   new
ATOM      0  HH  TYR A  26       5.243   5.627  -0.529  1.00  3.45           H   new
ATOM    390  N   THR A  27       7.092   2.012  -8.331  1.00  0.41           N
ATOM    391  CA  THR A  27       7.319   1.441  -9.644  1.00  0.53           C
ATOM    392  C   THR A  27       6.116   0.614 -10.084  1.00  0.45           C
ATOM    393  O   THR A  27       5.848   0.468 -11.278  1.00  0.67           O
ATOM    394  CB  THR A  27       8.584   0.563  -9.636  1.00  0.66           C
ATOM    395  OG1 THR A  27       9.652   1.278  -8.997  1.00  1.18           O
ATOM    396  CG2 THR A  27       9.003   0.186 -11.048  1.00  1.33           C
ATOM      0  H   THR A  27       7.347   1.398  -7.557  1.00  0.41           H   new
ATOM      0  HA  THR A  27       7.460   2.258 -10.352  1.00  0.53           H   new
ATOM      0  HB  THR A  27       8.363  -0.354  -9.090  1.00  0.66           H   new
ATOM      0  HG1 THR A  27      10.459   0.722  -8.988  1.00  1.18           H   new
ATOM      0 HG21 THR A  27       9.899  -0.434 -11.008  1.00  1.33           H   new
ATOM      0 HG22 THR A  27       8.199  -0.369 -11.530  1.00  1.33           H   new
ATOM      0 HG23 THR A  27       9.212   1.090 -11.619  1.00  1.33           H   new
ATOM    404  N   GLY A  28       5.381   0.098  -9.112  1.00  0.29           N
ATOM    405  CA  GLY A  28       4.217  -0.703  -9.413  1.00  0.31           C
ATOM    406  C   GLY A  28       3.126  -0.520  -8.382  1.00  0.29           C
ATOM    407  O   GLY A  28       3.353   0.081  -7.329  1.00  0.35           O
ATOM      0  H   GLY A  28       5.572   0.221  -8.118  1.00  0.29           H   new
ATOM      0  HA2 GLY A  28       3.835  -0.433 -10.398  1.00  0.31           H   new
ATOM      0  HA3 GLY A  28       4.501  -1.754  -9.458  1.00  0.31           H   new
ATOM    411  N   SER A  29       1.950  -1.049  -8.668  1.00  0.31           N
ATOM    412  CA  SER A  29       0.813  -0.887  -7.788  1.00  0.34           C
ATOM    413  C   SER A  29       0.014  -2.180  -7.675  1.00  0.37           C
ATOM    414  O   SER A  29      -0.277  -2.845  -8.671  1.00  0.52           O
ATOM    415  CB  SER A  29      -0.072   0.250  -8.287  1.00  0.43           C
ATOM    416  OG  SER A  29      -0.337   0.120  -9.673  1.00  0.96           O
ATOM      0  H   SER A  29       1.760  -1.596  -9.507  1.00  0.31           H   new
ATOM      0  HA  SER A  29       1.181  -0.639  -6.793  1.00  0.34           H   new
ATOM      0  HB2 SER A  29      -1.011   0.254  -7.733  1.00  0.43           H   new
ATOM      0  HB3 SER A  29       0.416   1.206  -8.095  1.00  0.43           H   new
ATOM      0  HG  SER A  29      -0.908   0.860  -9.968  1.00  0.96           H   new
ATOM    422  N   CYS A  30      -0.330  -2.532  -6.450  1.00  0.34           N
ATOM    423  CA  CYS A  30      -1.078  -3.746  -6.185  1.00  0.40           C
ATOM    424  C   CYS A  30      -2.486  -3.385  -5.727  1.00  0.37           C
ATOM    425  O   CYS A  30      -2.673  -2.896  -4.610  1.00  0.43           O
ATOM    426  CB  CYS A  30      -0.367  -4.572  -5.109  1.00  0.55           C
ATOM    427  SG  CYS A  30      -0.661  -6.367  -5.208  1.00  1.01           S
ATOM      0  H   CYS A  30      -0.101  -1.989  -5.617  1.00  0.34           H   new
ATOM      0  HA  CYS A  30      -1.140  -4.340  -7.097  1.00  0.40           H   new
ATOM      0  HB2 CYS A  30       0.705  -4.389  -5.179  1.00  0.55           H   new
ATOM      0  HB3 CYS A  30      -0.687  -4.219  -4.129  1.00  0.55           H   new
ATOM    432  N   GLY A  31      -3.462  -3.591  -6.599  1.00  0.39           N
ATOM    433  CA  GLY A  31      -4.844  -3.303  -6.261  1.00  0.40           C
ATOM    434  C   GLY A  31      -5.292  -4.058  -5.030  1.00  0.40           C
ATOM    435  O   GLY A  31      -5.202  -5.284  -4.982  1.00  0.49           O
ATOM      0  H   GLY A  31      -3.322  -3.955  -7.541  1.00  0.39           H   new
ATOM      0  HA2 GLY A  31      -4.961  -2.232  -6.093  1.00  0.40           H   new
ATOM      0  HA3 GLY A  31      -5.486  -3.566  -7.102  1.00  0.40           H   new
ATOM    439  N   TYR A  32      -5.771  -3.330  -4.033  1.00  0.38           N
ATOM    440  CA  TYR A  32      -6.100  -3.925  -2.753  1.00  0.42           C
ATOM    441  C   TYR A  32      -7.519  -3.537  -2.345  1.00  0.42           C
ATOM    442  O   TYR A  32      -8.144  -2.692  -2.990  1.00  0.41           O
ATOM    443  CB  TYR A  32      -5.082  -3.468  -1.701  1.00  0.47           C
ATOM    444  CG  TYR A  32      -4.885  -4.448  -0.562  1.00  0.63           C
ATOM    445  CD1 TYR A  32      -4.114  -5.588  -0.738  1.00  1.00           C
ATOM    446  CD2 TYR A  32      -5.462  -4.229   0.679  1.00  0.97           C
ATOM    447  CE1 TYR A  32      -3.924  -6.488   0.296  1.00  1.29           C
ATOM    448  CE2 TYR A  32      -5.277  -5.123   1.719  1.00  1.30           C
ATOM    449  CZ  TYR A  32      -4.508  -6.251   1.521  1.00  1.34           C
ATOM    450  OH  TYR A  32      -4.326  -7.146   2.553  1.00  1.75           O
ATOM      0  H   TYR A  32      -5.940  -2.326  -4.089  1.00  0.38           H   new
ATOM      0  HA  TYR A  32      -6.056  -5.011  -2.832  1.00  0.42           H   new
ATOM      0  HB2 TYR A  32      -4.123  -3.298  -2.190  1.00  0.47           H   new
ATOM      0  HB3 TYR A  32      -5.405  -2.511  -1.291  1.00  0.47           H   new
ATOM      0  HD1 TYR A  32      -3.655  -5.776  -1.697  1.00  1.00           H   new
ATOM      0  HD2 TYR A  32      -6.065  -3.347   0.837  1.00  0.97           H   new
ATOM      0  HE1 TYR A  32      -3.321  -7.371   0.143  1.00  1.29           H   new
ATOM      0  HE2 TYR A  32      -5.732  -4.939   2.681  1.00  1.30           H   new
ATOM      0  HH  TYR A  32      -4.804  -6.830   3.348  1.00  1.75           H   new
ATOM    460  N   PHE A  33      -8.021  -4.164  -1.287  1.00  0.48           N
ATOM    461  CA  PHE A  33      -9.377  -3.923  -0.797  1.00  0.54           C
ATOM    462  C   PHE A  33      -9.625  -2.445  -0.526  1.00  0.56           C
ATOM    463  O   PHE A  33      -9.145  -1.906   0.470  1.00  1.24           O
ATOM    464  CB  PHE A  33      -9.629  -4.720   0.484  1.00  0.64           C
ATOM    465  CG  PHE A  33      -9.595  -6.208   0.287  1.00  1.00           C
ATOM    466  CD1 PHE A  33     -10.720  -6.887  -0.152  1.00  1.18           C
ATOM    467  CD2 PHE A  33      -8.440  -6.926   0.543  1.00  1.38           C
ATOM    468  CE1 PHE A  33     -10.693  -8.253  -0.331  1.00  1.63           C
ATOM    469  CE2 PHE A  33      -8.407  -8.293   0.365  1.00  1.86           C
ATOM    470  CZ  PHE A  33      -9.535  -8.959  -0.073  1.00  1.96           C
ATOM      0  H   PHE A  33      -7.501  -4.854  -0.744  1.00  0.48           H   new
ATOM      0  HA  PHE A  33     -10.065  -4.249  -1.577  1.00  0.54           H   new
ATOM      0  HB2 PHE A  33      -8.880  -4.444   1.226  1.00  0.64           H   new
ATOM      0  HB3 PHE A  33     -10.600  -4.439   0.891  1.00  0.64           H   new
ATOM      0  HD1 PHE A  33     -11.628  -6.340  -0.356  1.00  1.18           H   new
ATOM      0  HD2 PHE A  33      -7.555  -6.410   0.886  1.00  1.38           H   new
ATOM      0  HE1 PHE A  33     -11.577  -8.771  -0.673  1.00  1.63           H   new
ATOM      0  HE2 PHE A  33      -7.500  -8.843   0.568  1.00  1.86           H   new
ATOM      0  HZ  PHE A  33      -9.511 -10.030  -0.213  1.00  1.96           H   new
ATOM    480  N   LEU A  34     -10.368  -1.806  -1.429  1.00  0.56           N
ATOM    481  CA  LEU A  34     -10.731  -0.391  -1.306  1.00  0.53           C
ATOM    482  C   LEU A  34      -9.495   0.498  -1.165  1.00  0.43           C
ATOM    483  O   LEU A  34      -9.553   1.569  -0.553  1.00  0.49           O
ATOM    484  CB  LEU A  34     -11.677  -0.160  -0.113  1.00  0.63           C
ATOM    485  CG  LEU A  34     -13.123  -0.655  -0.284  1.00  0.92           C
ATOM    486  CD1 LEU A  34     -13.705  -0.165  -1.599  1.00  1.75           C
ATOM    487  CD2 LEU A  34     -13.203  -2.172  -0.191  1.00  1.57           C
ATOM      0  H   LEU A  34     -10.737  -2.254  -2.268  1.00  0.56           H   new
ATOM      0  HA  LEU A  34     -11.249  -0.117  -2.225  1.00  0.53           H   new
ATOM      0  HB2 LEU A  34     -11.249  -0.649   0.762  1.00  0.63           H   new
ATOM      0  HB3 LEU A  34     -11.704   0.909   0.100  1.00  0.63           H   new
ATOM      0  HG  LEU A  34     -13.716  -0.241   0.531  1.00  0.92           H   new
ATOM      0 HD11 LEU A  34     -14.728  -0.526  -1.701  1.00  1.75           H   new
ATOM      0 HD12 LEU A  34     -13.701   0.925  -1.615  1.00  1.75           H   new
ATOM      0 HD13 LEU A  34     -13.103  -0.542  -2.426  1.00  1.75           H   new
ATOM      0 HD21 LEU A  34     -14.238  -2.490  -0.316  1.00  1.57           H   new
ATOM      0 HD22 LEU A  34     -12.589  -2.617  -0.974  1.00  1.57           H   new
ATOM      0 HD23 LEU A  34     -12.839  -2.496   0.784  1.00  1.57           H   new
ATOM    499  N   GLY A  35      -8.381   0.056  -1.736  1.00  0.34           N
ATOM    500  CA  GLY A  35      -7.148   0.804  -1.629  1.00  0.34           C
ATOM    501  C   GLY A  35      -6.100   0.300  -2.595  1.00  0.28           C
ATOM    502  O   GLY A  35      -6.384  -0.553  -3.435  1.00  0.33           O
ATOM      0  H   GLY A  35      -8.312  -0.809  -2.272  1.00  0.34           H   new
ATOM      0  HA2 GLY A  35      -7.344   1.858  -1.823  1.00  0.34           H   new
ATOM      0  HA3 GLY A  35      -6.767   0.733  -0.610  1.00  0.34           H   new
ATOM    506  N   ILE A  36      -4.885   0.808  -2.478  1.00  0.24           N
ATOM    507  CA  ILE A  36      -3.834   0.440  -3.404  1.00  0.23           C
ATOM    508  C   ILE A  36      -2.499   0.227  -2.685  1.00  0.22           C
ATOM    509  O   ILE A  36      -1.995   1.110  -1.995  1.00  0.26           O
ATOM    510  CB  ILE A  36      -3.700   1.505  -4.518  1.00  0.27           C
ATOM    511  CG1 ILE A  36      -2.623   1.106  -5.528  1.00  0.29           C
ATOM    512  CG2 ILE A  36      -3.409   2.883  -3.933  1.00  0.31           C
ATOM    513  CD1 ILE A  36      -2.535   2.046  -6.708  1.00  0.37           C
ATOM      0  H   ILE A  36      -4.606   1.472  -1.756  1.00  0.24           H   new
ATOM      0  HA  ILE A  36      -4.109  -0.509  -3.863  1.00  0.23           H   new
ATOM      0  HB  ILE A  36      -4.655   1.559  -5.041  1.00  0.27           H   new
ATOM      0 HG12 ILE A  36      -1.657   1.074  -5.025  1.00  0.29           H   new
ATOM      0 HG13 ILE A  36      -2.828   0.098  -5.889  1.00  0.29           H   new
ATOM      0 HG21 ILE A  36      -3.320   3.610  -4.741  1.00  0.31           H   new
ATOM      0 HG22 ILE A  36      -4.223   3.176  -3.269  1.00  0.31           H   new
ATOM      0 HG23 ILE A  36      -2.476   2.850  -3.371  1.00  0.31           H   new
ATOM      0 HD11 ILE A  36      -1.752   1.706  -7.386  1.00  0.37           H   new
ATOM      0 HD12 ILE A  36      -3.490   2.060  -7.234  1.00  0.37           H   new
ATOM      0 HD13 ILE A  36      -2.300   3.050  -6.356  1.00  0.37           H   new
ATOM    525  N   CYS A  37      -1.952  -0.969  -2.824  1.00  0.24           N
ATOM    526  CA  CYS A  37      -0.637  -1.279  -2.284  1.00  0.27           C
ATOM    527  C   CYS A  37       0.449  -0.824  -3.248  1.00  0.24           C
ATOM    528  O   CYS A  37       0.788  -1.526  -4.198  1.00  0.33           O
ATOM    529  CB  CYS A  37      -0.504  -2.779  -2.017  1.00  0.37           C
ATOM    530  SG  CYS A  37      -1.225  -3.338  -0.439  1.00  1.11           S
ATOM      0  H   CYS A  37      -2.401  -1.746  -3.309  1.00  0.24           H   new
ATOM      0  HA  CYS A  37      -0.520  -0.746  -1.340  1.00  0.27           H   new
ATOM      0  HB2 CYS A  37      -0.981  -3.323  -2.832  1.00  0.37           H   new
ATOM      0  HB3 CYS A  37       0.553  -3.045  -2.032  1.00  0.37           H   new
ATOM    535  N   CYS A  38       0.986   0.355  -3.007  1.00  0.23           N
ATOM    536  CA  CYS A  38       1.999   0.916  -3.883  1.00  0.25           C
ATOM    537  C   CYS A  38       3.386   0.438  -3.485  1.00  0.20           C
ATOM    538  O   CYS A  38       3.767   0.500  -2.314  1.00  0.21           O
ATOM    539  CB  CYS A  38       1.919   2.439  -3.858  1.00  0.35           C
ATOM    540  SG  CYS A  38       0.358   3.090  -4.524  1.00  1.14           S
ATOM      0  H   CYS A  38       0.739   0.945  -2.212  1.00  0.23           H   new
ATOM      0  HA  CYS A  38       1.812   0.572  -4.900  1.00  0.25           H   new
ATOM      0  HB2 CYS A  38       2.040   2.785  -2.832  1.00  0.35           H   new
ATOM      0  HB3 CYS A  38       2.750   2.849  -4.433  1.00  0.35           H   new
ATOM    545  N   TYR A  39       4.138  -0.050  -4.462  1.00  0.21           N
ATOM    546  CA  TYR A  39       5.459  -0.596  -4.200  1.00  0.21           C
ATOM    547  C   TYR A  39       6.469  -0.107  -5.233  1.00  0.25           C
ATOM    548  O   TYR A  39       6.099   0.309  -6.333  1.00  0.29           O
ATOM    549  CB  TYR A  39       5.407  -2.130  -4.180  1.00  0.24           C
ATOM    550  CG  TYR A  39       4.839  -2.768  -5.434  1.00  0.28           C
ATOM    551  CD1 TYR A  39       5.629  -2.944  -6.562  1.00  0.36           C
ATOM    552  CD2 TYR A  39       3.509  -3.169  -5.499  1.00  0.33           C
ATOM    553  CE1 TYR A  39       5.112  -3.505  -7.715  1.00  0.45           C
ATOM    554  CE2 TYR A  39       2.987  -3.726  -6.650  1.00  0.41           C
ATOM    555  CZ  TYR A  39       3.804  -3.982  -7.713  1.00  0.46           C
ATOM    556  OH  TYR A  39       3.277  -4.446  -8.901  1.00  0.57           O
ATOM      0  H   TYR A  39       3.855  -0.078  -5.441  1.00  0.21           H   new
ATOM      0  HA  TYR A  39       5.784  -0.245  -3.221  1.00  0.21           H   new
ATOM      0  HB2 TYR A  39       6.416  -2.511  -4.022  1.00  0.24           H   new
ATOM      0  HB3 TYR A  39       4.809  -2.447  -3.326  1.00  0.24           H   new
ATOM      0  HD1 TYR A  39       6.664  -2.638  -6.538  1.00  0.36           H   new
ATOM      0  HD2 TYR A  39       2.874  -3.043  -4.635  1.00  0.33           H   new
ATOM      0  HE1 TYR A  39       5.716  -3.572  -8.608  1.00  0.45           H   new
ATOM      0  HE2 TYR A  39       1.934  -3.959  -6.709  1.00  0.41           H   new
ATOM      0  HH  TYR A  39       2.357  -4.749  -8.754  1.00  0.57           H   new
ATOM    566  N   PRO A  40       7.766  -0.126  -4.891  1.00  0.28           N
ATOM    567  CA  PRO A  40       8.250  -0.531  -3.569  1.00  0.27           C
ATOM    568  C   PRO A  40       8.035   0.565  -2.534  1.00  0.31           C
ATOM    569  O   PRO A  40       8.011   1.753  -2.871  1.00  0.48           O
ATOM    570  CB  PRO A  40       9.753  -0.771  -3.788  1.00  0.45           C
ATOM    571  CG  PRO A  40       9.978  -0.639  -5.259  1.00  0.46           C
ATOM    572  CD  PRO A  40       8.874   0.233  -5.772  1.00  0.36           C
ATOM      0  HA  PRO A  40       7.723  -1.406  -3.189  1.00  0.27           H   new
ATOM      0  HB2 PRO A  40      10.349  -0.045  -3.235  1.00  0.45           H   new
ATOM      0  HB3 PRO A  40      10.046  -1.760  -3.435  1.00  0.45           H   new
ATOM      0  HG2 PRO A  40      10.952  -0.196  -5.466  1.00  0.46           H   new
ATOM      0  HG3 PRO A  40       9.962  -1.615  -5.745  1.00  0.46           H   new
ATOM      0  HD2 PRO A  40       9.124   1.291  -5.701  1.00  0.36           H   new
ATOM      0  HD3 PRO A  40       8.646   0.029  -6.818  1.00  0.36           H   new
ATOM    580  N   VAL A  41       7.863   0.160  -1.282  1.00  0.32           N
ATOM    581  CA  VAL A  41       7.630   1.107  -0.199  1.00  0.50           C
ATOM    582  C   VAL A  41       8.862   1.987   0.039  1.00  0.62           C
ATOM    583  O   VAL A  41       9.820   1.601   0.707  1.00  0.74           O
ATOM    584  CB  VAL A  41       7.197   0.393   1.109  1.00  0.68           C
ATOM    585  CG1 VAL A  41       8.216  -0.650   1.541  1.00  1.31           C
ATOM    586  CG2 VAL A  41       6.953   1.404   2.219  1.00  1.13           C
ATOM      0  H   VAL A  41       7.880  -0.818  -0.991  1.00  0.32           H   new
ATOM      0  HA  VAL A  41       6.806   1.751  -0.506  1.00  0.50           H   new
ATOM      0  HB  VAL A  41       6.261  -0.128   0.906  1.00  0.68           H   new
ATOM      0 HG11 VAL A  41       7.879  -1.129   2.460  1.00  1.31           H   new
ATOM      0 HG12 VAL A  41       8.322  -1.401   0.758  1.00  1.31           H   new
ATOM      0 HG13 VAL A  41       9.178  -0.168   1.715  1.00  1.31           H   new
ATOM      0 HG21 VAL A  41       6.650   0.882   3.127  1.00  1.13           H   new
ATOM      0 HG22 VAL A  41       7.869   1.963   2.410  1.00  1.13           H   new
ATOM      0 HG23 VAL A  41       6.164   2.093   1.917  1.00  1.13           H   new