USER  MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=16
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+    138:sc=  0.0104   (180deg=0)
USER  MOD Single : A   2 THR OG1 :   rot  180:sc=       0
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+    173:sc=       0   (180deg=-0.033)
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  13 TYR OH  :   rot   34:sc=-0.00888
USER  MOD Single : A  17 THR OG1 :   rot  180:sc= -0.0188
USER  MOD Single : A  18 LYS NZ  :NH3+   -159:sc=  -0.134   (180deg=-0.631)
USER  MOD Single : A  19 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  22 SER OG  :   rot  -54:sc=  0.0493
USER  MOD Single : A  23 ASN     :      amide:sc=   0.315  K(o=0.32,f=-6.6!)
USER  MOD Single : A  26 TYR OH  :   rot  150:sc=  -0.399
USER  MOD Single : A  27 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  29 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  32 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  39 TYR OH  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY A   1       3.494   3.017   9.156  1.00  2.96           N
ATOM      2  CA  GLY A   1       3.092   2.852   7.739  1.00  2.38           C
ATOM      3  C   GLY A   1       2.371   1.542   7.522  1.00  1.73           C
ATOM      4  O   GLY A   1       2.758   0.519   8.085  1.00  2.00           O
ATOM      0  H1  GLY A   1       4.457   3.408   9.200  1.00  2.96           H   new
ATOM      0  H2  GLY A   1       2.834   3.666   9.631  1.00  2.96           H   new
ATOM      0  H3  GLY A   1       3.474   2.093   9.633  1.00  2.96           H   new
ATOM      0  HA2 GLY A   1       2.446   3.679   7.443  1.00  2.38           H   new
ATOM      0  HA3 GLY A   1       3.975   2.894   7.101  1.00  2.38           H   new
ATOM     10  N   THR A   2       1.319   1.570   6.723  1.00  1.13           N
ATOM     11  CA  THR A   2       0.526   0.380   6.476  1.00  0.62           C
ATOM     12  C   THR A   2       1.204  -0.511   5.436  1.00  0.47           C
ATOM     13  O   THR A   2       1.202  -0.213   4.243  1.00  0.51           O
ATOM     14  CB  THR A   2      -0.892   0.756   6.017  1.00  0.67           C
ATOM     15  OG1 THR A   2      -1.373   1.859   6.801  1.00  1.13           O
ATOM     16  CG2 THR A   2      -1.835  -0.424   6.179  1.00  1.00           C
ATOM      0  H   THR A   2       0.994   2.404   6.234  1.00  1.13           H   new
ATOM      0  HA  THR A   2       0.448  -0.176   7.410  1.00  0.62           H   new
ATOM      0  HB  THR A   2      -0.855   1.036   4.964  1.00  0.67           H   new
ATOM      0  HG1 THR A   2      -2.276   2.100   6.507  1.00  1.13           H   new
ATOM      0 HG21 THR A   2      -2.834  -0.139   5.849  1.00  1.00           H   new
ATOM      0 HG22 THR A   2      -1.479  -1.260   5.577  1.00  1.00           H   new
ATOM      0 HG23 THR A   2      -1.870  -0.721   7.227  1.00  1.00           H   new
ATOM     24  N   THR A   3       1.786  -1.602   5.906  1.00  0.58           N
ATOM     25  CA  THR A   3       2.608  -2.464   5.077  1.00  0.55           C
ATOM     26  C   THR A   3       1.780  -3.528   4.358  1.00  0.43           C
ATOM     27  O   THR A   3       0.884  -4.137   4.945  1.00  0.53           O
ATOM     28  CB  THR A   3       3.673  -3.155   5.945  1.00  0.70           C
ATOM     29  OG1 THR A   3       4.287  -2.190   6.815  1.00  1.12           O
ATOM     30  CG2 THR A   3       4.738  -3.815   5.087  1.00  0.98           C
ATOM      0  H   THR A   3       1.701  -1.914   6.873  1.00  0.58           H   new
ATOM      0  HA  THR A   3       3.081  -1.837   4.321  1.00  0.55           H   new
ATOM      0  HB  THR A   3       3.182  -3.928   6.535  1.00  0.70           H   new
ATOM      0  HG1 THR A   3       4.964  -2.633   7.368  1.00  1.12           H   new
ATOM      0 HG21 THR A   3       5.477  -4.295   5.729  1.00  0.98           H   new
ATOM      0 HG22 THR A   3       4.275  -4.564   4.444  1.00  0.98           H   new
ATOM      0 HG23 THR A   3       5.228  -3.061   4.471  1.00  0.98           H   new
ATOM     38  N   CYS A   4       2.086  -3.747   3.088  1.00  0.39           N
ATOM     39  CA  CYS A   4       1.459  -4.808   2.311  1.00  0.45           C
ATOM     40  C   CYS A   4       2.501  -5.477   1.419  1.00  0.38           C
ATOM     41  O   CYS A   4       3.533  -4.882   1.109  1.00  0.51           O
ATOM     42  CB  CYS A   4       0.307  -4.246   1.471  1.00  0.73           C
ATOM     43  SG  CYS A   4       0.723  -2.732   0.545  1.00  1.01           S
ATOM      0  H   CYS A   4       2.771  -3.199   2.569  1.00  0.39           H   new
ATOM      0  HA  CYS A   4       1.048  -5.554   2.992  1.00  0.45           H   new
ATOM      0  HB2 CYS A   4      -0.020  -5.011   0.766  1.00  0.73           H   new
ATOM      0  HB3 CYS A   4      -0.537  -4.036   2.128  1.00  0.73           H   new
ATOM     48  N   TYR A   5       2.256  -6.725   1.035  1.00  0.47           N
ATOM     49  CA  TYR A   5       3.182  -7.443   0.169  1.00  0.50           C
ATOM     50  C   TYR A   5       2.560  -7.727  -1.188  1.00  0.61           C
ATOM     51  O   TYR A   5       1.428  -8.199  -1.282  1.00  0.85           O
ATOM     52  CB  TYR A   5       3.614  -8.774   0.795  1.00  0.58           C
ATOM     53  CG  TYR A   5       4.547  -8.643   1.976  1.00  0.56           C
ATOM     54  CD1 TYR A   5       5.920  -8.539   1.789  1.00  0.59           C
ATOM     55  CD2 TYR A   5       4.055  -8.601   3.277  1.00  0.63           C
ATOM     56  CE1 TYR A   5       6.776  -8.398   2.862  1.00  0.66           C
ATOM     57  CE2 TYR A   5       4.907  -8.462   4.357  1.00  0.69           C
ATOM     58  CZ  TYR A   5       6.265  -8.447   4.155  1.00  0.70           C
ATOM     59  OH  TYR A   5       7.122  -8.210   5.212  1.00  0.81           O
ATOM      0  H   TYR A   5       1.430  -7.257   1.308  1.00  0.47           H   new
ATOM      0  HA  TYR A   5       4.054  -6.801   0.044  1.00  0.50           H   new
ATOM      0  HB2 TYR A   5       2.723  -9.317   1.111  1.00  0.58           H   new
ATOM      0  HB3 TYR A   5       4.101  -9.379   0.030  1.00  0.58           H   new
ATOM      0  HD1 TYR A   5       6.324  -8.569   0.788  1.00  0.59           H   new
ATOM      0  HD2 TYR A   5       2.991  -8.678   3.446  1.00  0.63           H   new
ATOM      0  HE1 TYR A   5       7.834  -8.251   2.699  1.00  0.66           H   new
ATOM      0  HE2 TYR A   5       4.506  -8.366   5.355  1.00  0.69           H   new
ATOM      0  HH  TYR A   5       6.627  -8.276   6.055  1.00  0.81           H   new
ATOM     69  N   CYS A   6       3.306  -7.436  -2.235  1.00  0.51           N
ATOM     70  CA  CYS A   6       2.931  -7.849  -3.573  1.00  0.62           C
ATOM     71  C   CYS A   6       3.905  -8.913  -4.048  1.00  0.70           C
ATOM     72  O   CYS A   6       4.938  -8.611  -4.657  1.00  0.69           O
ATOM     73  CB  CYS A   6       2.914  -6.661  -4.532  1.00  0.61           C
ATOM     74  SG  CYS A   6       1.560  -5.482  -4.225  1.00  1.20           S
ATOM      0  H   CYS A   6       4.180  -6.912  -2.184  1.00  0.51           H   new
ATOM      0  HA  CYS A   6       1.922  -8.260  -3.553  1.00  0.62           H   new
ATOM      0  HB2 CYS A   6       3.865  -6.134  -4.458  1.00  0.61           H   new
ATOM      0  HB3 CYS A   6       2.834  -7.033  -5.554  1.00  0.61           H   new
ATOM     79  N   GLY A   7       3.588 -10.159  -3.723  1.00  0.85           N
ATOM     80  CA  GLY A   7       4.472 -11.256  -4.034  1.00  0.97           C
ATOM     81  C   GLY A   7       5.733 -11.201  -3.207  1.00  0.93           C
ATOM     82  O   GLY A   7       5.750 -11.629  -2.051  1.00  1.01           O
ATOM      0  H   GLY A   7       2.727 -10.427  -3.246  1.00  0.85           H   new
ATOM      0  HA2 GLY A   7       3.959 -12.201  -3.854  1.00  0.97           H   new
ATOM      0  HA3 GLY A   7       4.729 -11.229  -5.093  1.00  0.97           H   new
ATOM     86  N   LYS A   8       6.783 -10.653  -3.792  1.00  0.91           N
ATOM     87  CA  LYS A   8       8.046 -10.496  -3.100  1.00  0.94           C
ATOM     88  C   LYS A   8       8.312  -9.035  -2.770  1.00  0.79           C
ATOM     89  O   LYS A   8       9.125  -8.730  -1.899  1.00  0.86           O
ATOM     90  CB  LYS A   8       9.194 -11.047  -3.945  1.00  1.16           C
ATOM     91  CG  LYS A   8       9.109 -12.540  -4.202  1.00  1.65           C
ATOM     92  CD  LYS A   8      10.182 -12.994  -5.181  1.00  2.18           C
ATOM     93  CE  LYS A   8      11.585 -12.679  -4.675  1.00  3.07           C
ATOM     94  NZ  LYS A   8      11.913 -13.428  -3.434  1.00  3.65           N
ATOM      0  H   LYS A   8       6.783 -10.308  -4.752  1.00  0.91           H   new
ATOM      0  HA  LYS A   8       7.984 -11.059  -2.169  1.00  0.94           H   new
ATOM      0  HB2 LYS A   8       9.211 -10.524  -4.901  1.00  1.16           H   new
ATOM      0  HB3 LYS A   8      10.137 -10.828  -3.445  1.00  1.16           H   new
ATOM      0  HG2 LYS A   8       9.220 -13.080  -3.262  1.00  1.65           H   new
ATOM      0  HG3 LYS A   8       8.124 -12.788  -4.598  1.00  1.65           H   new
ATOM      0  HD2 LYS A   8      10.089 -14.067  -5.349  1.00  2.18           H   new
ATOM      0  HD3 LYS A   8      10.025 -12.506  -6.143  1.00  2.18           H   new
ATOM      0  HE2 LYS A   8      12.312 -12.924  -5.449  1.00  3.07           H   new
ATOM      0  HE3 LYS A   8      11.670 -11.609  -4.485  1.00  3.07           H   new
ATOM      0  HZ1 LYS A   8      12.913 -13.277  -3.191  1.00  3.65           H   new
ATOM      0  HZ2 LYS A   8      11.312 -13.090  -2.655  1.00  3.65           H   new
ATOM      0  HZ3 LYS A   8      11.744 -14.443  -3.586  1.00  3.65           H   new
ATOM    108  N   THR A   9       7.626  -8.133  -3.454  1.00  0.66           N
ATOM    109  CA  THR A   9       7.890  -6.719  -3.275  1.00  0.55           C
ATOM    110  C   THR A   9       7.015  -6.143  -2.170  1.00  0.42           C
ATOM    111  O   THR A   9       5.787  -6.185  -2.247  1.00  0.42           O
ATOM    112  CB  THR A   9       7.666  -5.925  -4.576  1.00  0.55           C
ATOM    113  OG1 THR A   9       8.262  -6.614  -5.687  1.00  0.72           O
ATOM    114  CG2 THR A   9       8.274  -4.537  -4.458  1.00  0.50           C
ATOM      0  H   THR A   9       6.893  -8.352  -4.128  1.00  0.66           H   new
ATOM      0  HA  THR A   9       8.939  -6.624  -2.993  1.00  0.55           H   new
ATOM      0  HB  THR A   9       6.593  -5.834  -4.742  1.00  0.55           H   new
ATOM      0  HG1 THR A   9       8.112  -6.101  -6.509  1.00  0.72           H   new
ATOM      0 HG21 THR A   9       8.108  -3.987  -5.384  1.00  0.50           H   new
ATOM      0 HG22 THR A   9       7.806  -4.004  -3.631  1.00  0.50           H   new
ATOM      0 HG23 THR A   9       9.345  -4.623  -4.274  1.00  0.50           H   new
ATOM    122  N   ILE A  10       7.657  -5.626  -1.136  1.00  0.39           N
ATOM    123  CA  ILE A  10       6.953  -5.014  -0.024  1.00  0.32           C
ATOM    124  C   ILE A  10       6.576  -3.569  -0.362  1.00  0.24           C
ATOM    125  O   ILE A  10       7.417  -2.778  -0.800  1.00  0.31           O
ATOM    126  CB  ILE A  10       7.807  -5.078   1.267  1.00  0.46           C
ATOM    127  CG1 ILE A  10       7.160  -4.267   2.393  1.00  0.64           C
ATOM    128  CG2 ILE A  10       9.230  -4.602   1.003  1.00  0.56           C
ATOM    129  CD1 ILE A  10       7.930  -4.321   3.695  1.00  1.06           C
ATOM      0  H   ILE A  10       8.673  -5.619  -1.044  1.00  0.39           H   new
ATOM      0  HA  ILE A  10       6.034  -5.573   0.155  1.00  0.32           H   new
ATOM      0  HB  ILE A  10       7.854  -6.119   1.587  1.00  0.46           H   new
ATOM      0 HG12 ILE A  10       7.070  -3.228   2.076  1.00  0.64           H   new
ATOM      0 HG13 ILE A  10       6.149  -4.637   2.562  1.00  0.64           H   new
ATOM      0 HG21 ILE A  10       9.809  -4.657   1.925  1.00  0.56           H   new
ATOM      0 HG22 ILE A  10       9.692  -5.237   0.247  1.00  0.56           H   new
ATOM      0 HG23 ILE A  10       9.209  -3.572   0.648  1.00  0.56           H   new
ATOM      0 HD11 ILE A  10       7.414  -3.725   4.448  1.00  1.06           H   new
ATOM      0 HD12 ILE A  10       7.998  -5.354   4.035  1.00  1.06           H   new
ATOM      0 HD13 ILE A  10       8.933  -3.923   3.541  1.00  1.06           H   new
ATOM    141  N   GLY A  11       5.305  -3.244  -0.179  1.00  0.22           N
ATOM    142  CA  GLY A  11       4.816  -1.923  -0.501  1.00  0.32           C
ATOM    143  C   GLY A  11       3.990  -1.327   0.620  1.00  0.28           C
ATOM    144  O   GLY A  11       3.923  -1.885   1.720  1.00  0.36           O
ATOM      0  H   GLY A  11       4.599  -3.880   0.191  1.00  0.22           H   new
ATOM      0  HA2 GLY A  11       5.660  -1.268  -0.715  1.00  0.32           H   new
ATOM      0  HA3 GLY A  11       4.213  -1.972  -1.407  1.00  0.32           H   new
ATOM    148  N   ILE A  12       3.361  -0.197   0.342  1.00  0.25           N
ATOM    149  CA  ILE A  12       2.555   0.497   1.331  1.00  0.25           C
ATOM    150  C   ILE A  12       1.122   0.649   0.817  1.00  0.22           C
ATOM    151  O   ILE A  12       0.892   1.019  -0.337  1.00  0.22           O
ATOM    152  CB  ILE A  12       3.191   1.871   1.697  1.00  0.30           C
ATOM    153  CG1 ILE A  12       2.437   2.571   2.849  1.00  0.33           C
ATOM    154  CG2 ILE A  12       3.277   2.773   0.475  1.00  0.30           C
ATOM    155  CD1 ILE A  12       1.220   3.373   2.424  1.00  0.29           C
ATOM      0  H   ILE A  12       3.394   0.262  -0.568  1.00  0.25           H   new
ATOM      0  HA  ILE A  12       2.524  -0.093   2.247  1.00  0.25           H   new
ATOM      0  HB  ILE A  12       4.203   1.673   2.049  1.00  0.30           H   new
ATOM      0 HG12 ILE A  12       2.123   1.816   3.569  1.00  0.33           H   new
ATOM      0 HG13 ILE A  12       3.129   3.236   3.366  1.00  0.33           H   new
ATOM      0 HG21 ILE A  12       3.725   3.726   0.757  1.00  0.30           H   new
ATOM      0 HG22 ILE A  12       3.892   2.295  -0.288  1.00  0.30           H   new
ATOM      0 HG23 ILE A  12       2.276   2.945   0.079  1.00  0.30           H   new
ATOM      0 HD11 ILE A  12       0.758   3.826   3.301  1.00  0.29           H   new
ATOM      0 HD12 ILE A  12       1.525   4.156   1.729  1.00  0.29           H   new
ATOM      0 HD13 ILE A  12       0.502   2.714   1.936  1.00  0.29           H   new
ATOM    167  N   TYR A  13       0.168   0.320   1.673  1.00  0.24           N
ATOM    168  CA  TYR A  13      -1.241   0.339   1.317  1.00  0.23           C
ATOM    169  C   TYR A  13      -1.859   1.704   1.606  1.00  0.21           C
ATOM    170  O   TYR A  13      -2.029   2.094   2.760  1.00  0.26           O
ATOM    171  CB  TYR A  13      -1.966  -0.782   2.074  1.00  0.28           C
ATOM    172  CG  TYR A  13      -3.473  -0.645   2.149  1.00  0.32           C
ATOM    173  CD1 TYR A  13      -4.266  -0.625   1.009  1.00  0.53           C
ATOM    174  CD2 TYR A  13      -4.097  -0.537   3.381  1.00  0.49           C
ATOM    175  CE1 TYR A  13      -5.641  -0.501   1.102  1.00  0.65           C
ATOM    176  CE2 TYR A  13      -5.464  -0.414   3.482  1.00  0.61           C
ATOM    177  CZ  TYR A  13      -6.233  -0.396   2.346  1.00  0.64           C
ATOM    178  OH  TYR A  13      -7.597  -0.266   2.458  1.00  0.80           O
ATOM      0  H   TYR A  13       0.349   0.032   2.635  1.00  0.24           H   new
ATOM      0  HA  TYR A  13      -1.347   0.165   0.246  1.00  0.23           H   new
ATOM      0  HB2 TYR A  13      -1.728  -1.733   1.597  1.00  0.28           H   new
ATOM      0  HB3 TYR A  13      -1.571  -0.827   3.089  1.00  0.28           H   new
ATOM      0  HD1 TYR A  13      -3.803  -0.707   0.037  1.00  0.53           H   new
ATOM      0  HD2 TYR A  13      -3.499  -0.550   4.280  1.00  0.49           H   new
ATOM      0  HE1 TYR A  13      -6.247  -0.486   0.208  1.00  0.65           H   new
ATOM      0  HE2 TYR A  13      -5.930  -0.332   4.453  1.00  0.61           H   new
ATOM      0  HH  TYR A  13      -8.034  -0.773   1.742  1.00  0.80           H   new
ATOM    188  N   TRP A  14      -2.173   2.426   0.538  1.00  0.20           N
ATOM    189  CA  TRP A  14      -2.792   3.737   0.644  1.00  0.20           C
ATOM    190  C   TRP A  14      -4.312   3.608   0.676  1.00  0.21           C
ATOM    191  O   TRP A  14      -4.916   3.080  -0.262  1.00  0.27           O
ATOM    192  CB  TRP A  14      -2.406   4.625  -0.550  1.00  0.23           C
ATOM    193  CG  TRP A  14      -0.947   4.974  -0.639  1.00  0.23           C
ATOM    194  CD1 TRP A  14       0.048   4.214  -1.186  1.00  0.28           C
ATOM    195  CD2 TRP A  14      -0.326   6.189  -0.198  1.00  0.28           C
ATOM    196  NE1 TRP A  14       1.248   4.881  -1.106  1.00  0.31           N
ATOM    197  CE2 TRP A  14       1.047   6.094  -0.501  1.00  0.31           C
ATOM    198  CE3 TRP A  14      -0.797   7.347   0.428  1.00  0.35           C
ATOM    199  CZ2 TRP A  14       1.950   7.114  -0.198  1.00  0.40           C
ATOM    200  CZ3 TRP A  14       0.097   8.356   0.726  1.00  0.45           C
ATOM    201  CH2 TRP A  14       1.459   8.235   0.411  1.00  0.47           C
ATOM      0  H   TRP A  14      -2.006   2.120  -0.420  1.00  0.20           H   new
ATOM      0  HA  TRP A  14      -2.436   4.193   1.568  1.00  0.20           H   new
ATOM      0  HB2 TRP A  14      -2.699   4.118  -1.470  1.00  0.23           H   new
ATOM      0  HB3 TRP A  14      -2.982   5.549  -0.497  1.00  0.23           H   new
ATOM      0  HD1 TRP A  14      -0.088   3.233  -1.618  1.00  0.28           H   new
ATOM      0  HE1 TRP A  14       2.144   4.529  -1.443  1.00  0.31           H   new
ATOM      0  HE3 TRP A  14      -1.843   7.451   0.675  1.00  0.35           H   new
ATOM      0  HZ2 TRP A  14       2.999   7.021  -0.436  1.00  0.40           H   new
ATOM      0  HZ3 TRP A  14      -0.258   9.254   1.210  1.00  0.45           H   new
ATOM      0  HH2 TRP A  14       2.133   9.043   0.654  1.00  0.47           H   new
ATOM    212  N   PHE A  15      -4.926   4.064   1.758  1.00  0.32           N
ATOM    213  CA  PHE A  15      -6.376   4.177   1.811  1.00  0.38           C
ATOM    214  C   PHE A  15      -6.765   5.640   1.656  1.00  0.41           C
ATOM    215  O   PHE A  15      -6.394   6.481   2.480  1.00  0.57           O
ATOM    216  CB  PHE A  15      -6.927   3.614   3.123  1.00  0.46           C
ATOM    217  CG  PHE A  15      -8.433   3.534   3.156  1.00  0.55           C
ATOM    218  CD1 PHE A  15      -9.189   4.637   3.519  1.00  0.62           C
ATOM    219  CD2 PHE A  15      -9.091   2.357   2.827  1.00  0.65           C
ATOM    220  CE1 PHE A  15     -10.569   4.569   3.556  1.00  0.70           C
ATOM    221  CE2 PHE A  15     -10.470   2.285   2.864  1.00  0.75           C
ATOM    222  CZ  PHE A  15     -11.209   3.382   3.206  1.00  0.75           C
ATOM      0  H   PHE A  15      -4.445   4.361   2.607  1.00  0.32           H   new
ATOM      0  HA  PHE A  15      -6.807   3.593   0.997  1.00  0.38           H   new
ATOM      0  HB2 PHE A  15      -6.514   2.618   3.284  1.00  0.46           H   new
ATOM      0  HB3 PHE A  15      -6.586   4.238   3.949  1.00  0.46           H   new
ATOM      0  HD1 PHE A  15      -8.694   5.562   3.776  1.00  0.62           H   new
ATOM      0  HD2 PHE A  15      -8.518   1.488   2.539  1.00  0.65           H   new
ATOM      0  HE1 PHE A  15     -11.148   5.431   3.854  1.00  0.70           H   new
ATOM      0  HE2 PHE A  15     -10.966   1.357   2.621  1.00  0.75           H   new
ATOM      0  HZ  PHE A  15     -12.288   3.329   3.205  1.00  0.75           H   new
ATOM    232  N   GLY A  16      -7.499   5.940   0.600  1.00  0.50           N
ATOM    233  CA  GLY A  16      -7.857   7.311   0.300  1.00  0.60           C
ATOM    234  C   GLY A  16      -7.704   7.608  -1.174  1.00  0.65           C
ATOM    235  O   GLY A  16      -8.307   8.542  -1.705  1.00  1.07           O
ATOM      0  H   GLY A  16      -7.858   5.252  -0.063  1.00  0.50           H   new
ATOM      0  HA2 GLY A  16      -8.887   7.495   0.605  1.00  0.60           H   new
ATOM      0  HA3 GLY A  16      -7.227   7.988   0.877  1.00  0.60           H   new
ATOM    239  N   THR A  17      -6.894   6.794  -1.832  1.00  0.46           N
ATOM    240  CA  THR A  17      -6.679   6.894  -3.259  1.00  0.47           C
ATOM    241  C   THR A  17      -6.584   5.495  -3.854  1.00  0.50           C
ATOM    242  O   THR A  17      -6.388   4.517  -3.130  1.00  0.57           O
ATOM    243  CB  THR A  17      -5.394   7.694  -3.593  1.00  0.48           C
ATOM    244  OG1 THR A  17      -5.172   7.699  -5.012  1.00  0.56           O
ATOM    245  CG2 THR A  17      -4.172   7.114  -2.888  1.00  0.47           C
ATOM      0  H   THR A  17      -6.367   6.044  -1.385  1.00  0.46           H   new
ATOM      0  HA  THR A  17      -7.524   7.430  -3.692  1.00  0.47           H   new
ATOM      0  HB  THR A  17      -5.539   8.714  -3.238  1.00  0.48           H   new
ATOM      0  HG1 THR A  17      -4.359   8.208  -5.214  1.00  0.56           H   new
ATOM      0 HG21 THR A  17      -3.290   7.701  -3.146  1.00  0.47           H   new
ATOM      0 HG22 THR A  17      -4.325   7.145  -1.809  1.00  0.47           H   new
ATOM      0 HG23 THR A  17      -4.026   6.081  -3.204  1.00  0.47           H   new
ATOM    253  N   LYS A  18      -6.759   5.404  -5.160  1.00  0.58           N
ATOM    254  CA  LYS A  18      -6.596   4.148  -5.868  1.00  0.69           C
ATOM    255  C   LYS A  18      -5.519   4.286  -6.935  1.00  0.64           C
ATOM    256  O   LYS A  18      -5.463   3.503  -7.884  1.00  0.71           O
ATOM    257  CB  LYS A  18      -7.928   3.693  -6.484  1.00  0.91           C
ATOM    258  CG  LYS A  18      -8.643   4.777  -7.271  1.00  1.70           C
ATOM    259  CD  LYS A  18     -10.002   4.304  -7.763  1.00  2.32           C
ATOM    260  CE  LYS A  18     -10.831   5.459  -8.296  1.00  3.29           C
ATOM    261  NZ  LYS A  18     -11.108   6.465  -7.238  1.00  3.98           N
ATOM      0  H   LYS A  18      -7.016   6.192  -5.755  1.00  0.58           H   new
ATOM      0  HA  LYS A  18      -6.281   3.384  -5.157  1.00  0.69           H   new
ATOM      0  HB2 LYS A  18      -7.742   2.843  -7.141  1.00  0.91           H   new
ATOM      0  HB3 LYS A  18      -8.585   3.343  -5.688  1.00  0.91           H   new
ATOM      0  HG2 LYS A  18      -8.769   5.660  -6.644  1.00  1.70           H   new
ATOM      0  HG3 LYS A  18      -8.030   5.075  -8.122  1.00  1.70           H   new
ATOM      0  HD2 LYS A  18      -9.868   3.559  -8.547  1.00  2.32           H   new
ATOM      0  HD3 LYS A  18     -10.536   3.816  -6.948  1.00  2.32           H   new
ATOM      0  HE2 LYS A  18     -10.304   5.935  -9.123  1.00  3.29           H   new
ATOM      0  HE3 LYS A  18     -11.772   5.079  -8.694  1.00  3.29           H   new
ATOM      0  HZ1 LYS A  18     -11.937   7.033  -7.507  1.00  3.98           H   new
ATOM      0  HZ2 LYS A  18     -11.298   5.979  -6.338  1.00  3.98           H   new
ATOM      0  HZ3 LYS A  18     -10.283   7.088  -7.127  1.00  3.98           H   new
ATOM    275  N   THR A  19      -4.660   5.285  -6.769  1.00  0.62           N
ATOM    276  CA  THR A  19      -3.515   5.455  -7.647  1.00  0.69           C
ATOM    277  C   THR A  19      -2.273   5.779  -6.820  1.00  0.60           C
ATOM    278  O   THR A  19      -2.377   6.318  -5.718  1.00  0.89           O
ATOM    279  CB  THR A  19      -3.761   6.560  -8.704  1.00  0.84           C
ATOM    280  OG1 THR A  19      -2.686   6.584  -9.656  1.00  1.60           O
ATOM    281  CG2 THR A  19      -3.893   7.930  -8.053  1.00  1.50           C
ATOM      0  H   THR A  19      -4.737   5.988  -6.034  1.00  0.62           H   new
ATOM      0  HA  THR A  19      -3.360   4.519  -8.184  1.00  0.69           H   new
ATOM      0  HB  THR A  19      -4.696   6.329  -9.214  1.00  0.84           H   new
ATOM      0  HG1 THR A  19      -2.853   7.285 -10.320  1.00  1.60           H   new
ATOM      0 HG21 THR A  19      -4.065   8.683  -8.822  1.00  1.50           H   new
ATOM      0 HG22 THR A  19      -4.732   7.923  -7.358  1.00  1.50           H   new
ATOM      0 HG23 THR A  19      -2.976   8.166  -7.513  1.00  1.50           H   new
ATOM    289  N   CYS A  20      -1.108   5.427  -7.341  1.00  0.60           N
ATOM    290  CA  CYS A  20       0.140   5.629  -6.620  1.00  0.62           C
ATOM    291  C   CYS A  20       0.671   7.040  -6.832  1.00  0.52           C
ATOM    292  O   CYS A  20       0.991   7.429  -7.959  1.00  0.65           O
ATOM    293  CB  CYS A  20       1.184   4.610  -7.071  1.00  0.87           C
ATOM    294  SG  CYS A  20       0.692   2.881  -6.798  1.00  0.91           S
ATOM      0  H   CYS A  20      -1.000   5.000  -8.261  1.00  0.60           H   new
ATOM      0  HA  CYS A  20      -0.060   5.491  -5.557  1.00  0.62           H   new
ATOM      0  HB2 CYS A  20       1.386   4.757  -8.132  1.00  0.87           H   new
ATOM      0  HB3 CYS A  20       2.116   4.800  -6.540  1.00  0.87           H   new
ATOM    299  N   PRO A  21       0.752   7.831  -5.753  1.00  0.45           N
ATOM    300  CA  PRO A  21       1.306   9.183  -5.805  1.00  0.56           C
ATOM    301  C   PRO A  21       2.787   9.169  -6.182  1.00  0.71           C
ATOM    302  O   PRO A  21       3.568   8.370  -5.658  1.00  0.82           O
ATOM    303  CB  PRO A  21       1.110   9.729  -4.384  1.00  0.62           C
ATOM    304  CG  PRO A  21       0.860   8.538  -3.519  1.00  0.51           C
ATOM    305  CD  PRO A  21       0.292   7.466  -4.403  1.00  0.49           C
ATOM      0  HA  PRO A  21       0.816   9.795  -6.562  1.00  0.56           H   new
ATOM      0  HB2 PRO A  21       1.992  10.276  -4.051  1.00  0.62           H   new
ATOM      0  HB3 PRO A  21       0.271  10.423  -4.345  1.00  0.62           H   new
ATOM      0  HG2 PRO A  21       1.784   8.201  -3.050  1.00  0.51           H   new
ATOM      0  HG3 PRO A  21       0.166   8.784  -2.716  1.00  0.51           H   new
ATOM      0  HD2 PRO A  21       0.651   6.479  -4.113  1.00  0.49           H   new
ATOM      0  HD3 PRO A  21      -0.796   7.438  -4.347  1.00  0.49           H   new
ATOM    313  N   SER A  22       3.171  10.050  -7.091  1.00  0.99           N
ATOM    314  CA  SER A  22       4.550  10.128  -7.547  1.00  1.26           C
ATOM    315  C   SER A  22       5.362  11.024  -6.610  1.00  1.32           C
ATOM    316  O   SER A  22       6.135  11.881  -7.041  1.00  1.83           O
ATOM    317  CB  SER A  22       4.606  10.653  -8.987  1.00  1.68           C
ATOM    318  OG  SER A  22       5.879  10.422  -9.573  1.00  2.07           O
ATOM      0  H   SER A  22       2.544  10.724  -7.530  1.00  0.99           H   new
ATOM      0  HA  SER A  22       4.985   9.129  -7.532  1.00  1.26           H   new
ATOM      0  HB2 SER A  22       3.835  10.166  -9.584  1.00  1.68           H   new
ATOM      0  HB3 SER A  22       4.388  11.721  -8.995  1.00  1.68           H   new
ATOM      0  HG  SER A  22       6.577  10.805  -9.001  1.00  2.07           H   new
ATOM    324  N   ASN A  23       5.168  10.814  -5.318  1.00  1.04           N
ATOM    325  CA  ASN A  23       5.866  11.573  -4.292  1.00  1.20           C
ATOM    326  C   ASN A  23       7.074  10.793  -3.796  1.00  1.07           C
ATOM    327  O   ASN A  23       7.964  11.341  -3.147  1.00  1.27           O
ATOM    328  CB  ASN A  23       4.923  11.873  -3.121  1.00  1.39           C
ATOM    329  CG  ASN A  23       4.455  10.617  -2.397  1.00  1.32           C
ATOM    330  OD1 ASN A  23       4.312   9.551  -2.999  1.00  1.83           O
ATOM    331  ND2 ASN A  23       4.227  10.731  -1.102  1.00  1.61           N
ATOM      0  H   ASN A  23       4.523  10.114  -4.951  1.00  1.04           H   new
ATOM      0  HA  ASN A  23       6.204  12.515  -4.724  1.00  1.20           H   new
ATOM      0  HB2 ASN A  23       5.430  12.527  -2.412  1.00  1.39           H   new
ATOM      0  HB3 ASN A  23       4.054  12.417  -3.491  1.00  1.39           H   new
ATOM      0 HD21 ASN A  23       3.921   9.920  -0.565  1.00  1.61           H   new
ATOM      0 HD22 ASN A  23       4.356  11.630  -0.639  1.00  1.61           H   new
ATOM    338  N   ARG A  24       7.088   9.502  -4.095  1.00  0.95           N
ATOM    339  CA  ARG A  24       8.183   8.635  -3.698  1.00  1.02           C
ATOM    340  C   ARG A  24       8.835   7.985  -4.906  1.00  1.13           C
ATOM    341  O   ARG A  24       9.875   8.429  -5.390  1.00  1.71           O
ATOM    342  CB  ARG A  24       7.680   7.542  -2.757  1.00  1.06           C
ATOM    343  CG  ARG A  24       7.986   7.789  -1.299  1.00  1.42           C
ATOM    344  CD  ARG A  24       7.241   8.989  -0.743  1.00  1.41           C
ATOM    345  NE  ARG A  24       7.794   9.400   0.545  1.00  2.03           N
ATOM    346  CZ  ARG A  24       8.314  10.604   0.785  1.00  2.71           C
ATOM    347  NH1 ARG A  24       8.305  11.533  -0.163  1.00  3.19           N
ATOM    348  NH2 ARG A  24       8.866  10.873   1.964  1.00  3.39           N
ATOM      0  H   ARG A  24       6.347   9.031  -4.615  1.00  0.95           H   new
ATOM      0  HA  ARG A  24       8.922   9.252  -3.187  1.00  1.02           H   new
ATOM      0  HB2 ARG A  24       6.601   7.442  -2.878  1.00  1.06           H   new
ATOM      0  HB3 ARG A  24       8.123   6.591  -3.053  1.00  1.06           H   new
ATOM      0  HG2 ARG A  24       7.724   6.903  -0.721  1.00  1.42           H   new
ATOM      0  HG3 ARG A  24       9.058   7.943  -1.177  1.00  1.42           H   new
ATOM      0  HD2 ARG A  24       7.301   9.817  -1.449  1.00  1.41           H   new
ATOM      0  HD3 ARG A  24       6.185   8.744  -0.628  1.00  1.41           H   new
ATOM      0  HE  ARG A  24       7.782   8.724   1.308  1.00  2.03           H   new
ATOM      0 HH11 ARG A  24       7.900  11.326  -1.076  1.00  3.19           H   new
ATOM      0 HH12 ARG A  24       8.703  12.454   0.022  1.00  3.19           H   new
ATOM      0 HH21 ARG A  24       8.893  10.157   2.690  1.00  3.39           H   new
ATOM      0 HH22 ARG A  24       9.263  11.796   2.143  1.00  3.39           H   new
ATOM    362  N   GLY A  25       8.202   6.930  -5.384  1.00  0.93           N
ATOM    363  CA  GLY A  25       8.702   6.198  -6.523  1.00  1.10           C
ATOM    364  C   GLY A  25       7.965   4.891  -6.694  1.00  0.81           C
ATOM    365  O   GLY A  25       8.547   3.880  -7.077  1.00  0.78           O
ATOM      0  H   GLY A  25       7.334   6.562  -4.995  1.00  0.93           H   new
ATOM      0  HA2 GLY A  25       8.593   6.802  -7.424  1.00  1.10           H   new
ATOM      0  HA3 GLY A  25       9.767   6.005  -6.396  1.00  1.10           H   new
ATOM    369  N   TYR A  26       6.672   4.913  -6.387  1.00  0.71           N
ATOM    370  CA  TYR A  26       5.837   3.726  -6.491  1.00  0.50           C
ATOM    371  C   TYR A  26       5.671   3.333  -7.949  1.00  0.49           C
ATOM    372  O   TYR A  26       5.034   4.045  -8.727  1.00  0.71           O
ATOM    373  CB  TYR A  26       4.474   3.980  -5.849  1.00  0.51           C
ATOM    374  CG  TYR A  26       4.570   4.496  -4.435  1.00  0.93           C
ATOM    375  CD1 TYR A  26       5.081   3.700  -3.422  1.00  1.52           C
ATOM    376  CD2 TYR A  26       4.162   5.784  -4.116  1.00  1.20           C
ATOM    377  CE1 TYR A  26       5.180   4.170  -2.131  1.00  2.35           C
ATOM    378  CE2 TYR A  26       4.257   6.261  -2.825  1.00  2.02           C
ATOM    379  CZ  TYR A  26       4.771   5.451  -1.837  1.00  2.61           C
ATOM    380  OH  TYR A  26       4.873   5.920  -0.549  1.00  3.45           O
ATOM      0  H   TYR A  26       6.180   5.745  -6.063  1.00  0.71           H   new
ATOM      0  HA  TYR A  26       6.321   2.906  -5.961  1.00  0.50           H   new
ATOM      0  HB2 TYR A  26       3.923   4.699  -6.455  1.00  0.51           H   new
ATOM      0  HB3 TYR A  26       3.900   3.054  -5.853  1.00  0.51           H   new
ATOM      0  HD1 TYR A  26       5.407   2.695  -3.648  1.00  1.52           H   new
ATOM      0  HD2 TYR A  26       3.764   6.423  -4.891  1.00  1.20           H   new
ATOM      0  HE1 TYR A  26       5.577   3.536  -1.352  1.00  2.35           H   new
ATOM      0  HE2 TYR A  26       3.930   7.263  -2.591  1.00  2.02           H   new
ATOM      0  HH  TYR A  26       5.012   6.890  -0.564  1.00  3.45           H   new
ATOM    390  N   THR A  27       6.248   2.204  -8.311  1.00  0.41           N
ATOM    391  CA  THR A  27       6.258   1.766  -9.692  1.00  0.53           C
ATOM    392  C   THR A  27       5.186   0.704  -9.930  1.00  0.45           C
ATOM    393  O   THR A  27       4.677   0.559 -11.043  1.00  0.67           O
ATOM    394  CB  THR A  27       7.652   1.220 -10.082  1.00  0.66           C
ATOM    395  OG1 THR A  27       7.677   0.839 -11.464  1.00  1.18           O
ATOM    396  CG2 THR A  27       8.039   0.033  -9.218  1.00  1.33           C
ATOM      0  H   THR A  27       6.718   1.571  -7.664  1.00  0.41           H   new
ATOM      0  HA  THR A  27       6.036   2.627 -10.322  1.00  0.53           H   new
ATOM      0  HB  THR A  27       8.375   2.019  -9.918  1.00  0.66           H   new
ATOM      0  HG1 THR A  27       8.567   0.498 -11.693  1.00  1.18           H   new
ATOM      0 HG21 THR A  27       9.023  -0.328  -9.516  1.00  1.33           H   new
ATOM      0 HG22 THR A  27       8.066   0.338  -8.172  1.00  1.33           H   new
ATOM      0 HG23 THR A  27       7.306  -0.764  -9.345  1.00  1.33           H   new
ATOM    404  N   GLY A  28       4.827  -0.020  -8.879  1.00  0.29           N
ATOM    405  CA  GLY A  28       3.829  -1.056  -9.015  1.00  0.31           C
ATOM    406  C   GLY A  28       2.685  -0.862  -8.055  1.00  0.29           C
ATOM    407  O   GLY A  28       2.845  -0.209  -7.022  1.00  0.35           O
ATOM      0  H   GLY A  28       5.208   0.092  -7.940  1.00  0.29           H   new
ATOM      0  HA2 GLY A  28       3.449  -1.062 -10.037  1.00  0.31           H   new
ATOM      0  HA3 GLY A  28       4.289  -2.029  -8.840  1.00  0.31           H   new
ATOM    411  N   SER A  29       1.539  -1.433  -8.378  1.00  0.31           N
ATOM    412  CA  SER A  29       0.366  -1.280  -7.542  1.00  0.34           C
ATOM    413  C   SER A  29      -0.490  -2.544  -7.533  1.00  0.37           C
ATOM    414  O   SER A  29      -0.701  -3.180  -8.568  1.00  0.52           O
ATOM    415  CB  SER A  29      -0.461  -0.087  -8.024  1.00  0.43           C
ATOM    416  OG  SER A  29      -0.736  -0.176  -9.414  1.00  0.96           O
ATOM      0  H   SER A  29       1.397  -2.005  -9.211  1.00  0.31           H   new
ATOM      0  HA  SER A  29       0.702  -1.103  -6.520  1.00  0.34           H   new
ATOM      0  HB2 SER A  29      -1.398  -0.043  -7.468  1.00  0.43           H   new
ATOM      0  HB3 SER A  29       0.077   0.838  -7.816  1.00  0.43           H   new
ATOM      0  HG  SER A  29      -1.267   0.599  -9.693  1.00  0.96           H   new
ATOM    422  N   CYS A  30      -0.961  -2.906  -6.354  1.00  0.34           N
ATOM    423  CA  CYS A  30      -1.873  -4.024  -6.195  1.00  0.40           C
ATOM    424  C   CYS A  30      -3.198  -3.522  -5.641  1.00  0.37           C
ATOM    425  O   CYS A  30      -3.226  -2.783  -4.653  1.00  0.43           O
ATOM    426  CB  CYS A  30      -1.271  -5.073  -5.257  1.00  0.55           C
ATOM    427  SG  CYS A  30       0.326  -5.741  -5.819  1.00  1.01           S
ATOM      0  H   CYS A  30      -0.723  -2.435  -5.481  1.00  0.34           H   new
ATOM      0  HA  CYS A  30      -2.042  -4.489  -7.166  1.00  0.40           H   new
ATOM      0  HB2 CYS A  30      -1.140  -4.630  -4.270  1.00  0.55           H   new
ATOM      0  HB3 CYS A  30      -1.978  -5.895  -5.147  1.00  0.55           H   new
ATOM    432  N   GLY A  31      -4.288  -3.900  -6.288  1.00  0.39           N
ATOM    433  CA  GLY A  31      -5.597  -3.461  -5.852  1.00  0.40           C
ATOM    434  C   GLY A  31      -6.000  -4.110  -4.548  1.00  0.40           C
ATOM    435  O   GLY A  31      -6.117  -5.332  -4.469  1.00  0.49           O
ATOM      0  H   GLY A  31      -4.290  -4.505  -7.110  1.00  0.39           H   new
ATOM      0  HA2 GLY A  31      -5.597  -2.377  -5.734  1.00  0.40           H   new
ATOM      0  HA3 GLY A  31      -6.334  -3.698  -6.619  1.00  0.40           H   new
ATOM    439  N   TYR A  32      -6.201  -3.299  -3.522  1.00  0.38           N
ATOM    440  CA  TYR A  32      -6.568  -3.806  -2.209  1.00  0.42           C
ATOM    441  C   TYR A  32      -7.948  -3.303  -1.812  1.00  0.42           C
ATOM    442  O   TYR A  32      -8.532  -2.468  -2.504  1.00  0.41           O
ATOM    443  CB  TYR A  32      -5.526  -3.401  -1.163  1.00  0.47           C
ATOM    444  CG  TYR A  32      -4.481  -4.462  -0.903  1.00  0.63           C
ATOM    445  CD1 TYR A  32      -3.615  -4.876  -1.908  1.00  1.00           C
ATOM    446  CD2 TYR A  32      -4.362  -5.050   0.350  1.00  0.97           C
ATOM    447  CE1 TYR A  32      -2.658  -5.844  -1.668  1.00  1.29           C
ATOM    448  CE2 TYR A  32      -3.408  -6.018   0.597  1.00  1.30           C
ATOM    449  CZ  TYR A  32      -2.559  -6.412  -0.416  1.00  1.34           C
ATOM    450  OH  TYR A  32      -1.608  -7.374  -0.174  1.00  1.75           O
ATOM      0  H   TYR A  32      -6.116  -2.284  -3.573  1.00  0.38           H   new
ATOM      0  HA  TYR A  32      -6.598  -4.895  -2.257  1.00  0.42           H   new
ATOM      0  HB2 TYR A  32      -5.030  -2.488  -1.492  1.00  0.47           H   new
ATOM      0  HB3 TYR A  32      -6.035  -3.168  -0.228  1.00  0.47           H   new
ATOM      0  HD1 TYR A  32      -3.691  -4.435  -2.891  1.00  1.00           H   new
ATOM      0  HD2 TYR A  32      -5.027  -4.745   1.145  1.00  0.97           H   new
ATOM      0  HE1 TYR A  32      -1.990  -6.154  -2.458  1.00  1.29           H   new
ATOM      0  HE2 TYR A  32      -3.327  -6.464   1.577  1.00  1.30           H   new
ATOM      0  HH  TYR A  32      -1.672  -7.670   0.758  1.00  1.75           H   new
ATOM    460  N   PHE A  33      -8.455  -3.815  -0.698  1.00  0.48           N
ATOM    461  CA  PHE A  33      -9.790  -3.469  -0.211  1.00  0.54           C
ATOM    462  C   PHE A  33      -9.959  -1.962  -0.065  1.00  0.56           C
ATOM    463  O   PHE A  33      -9.424  -1.364   0.868  1.00  1.24           O
ATOM    464  CB  PHE A  33     -10.052  -4.140   1.141  1.00  0.64           C
ATOM    465  CG  PHE A  33      -9.887  -5.627   1.108  1.00  1.00           C
ATOM    466  CD1 PHE A  33     -10.838  -6.428   0.501  1.00  1.18           C
ATOM    467  CD2 PHE A  33      -8.778  -6.222   1.681  1.00  1.38           C
ATOM    468  CE1 PHE A  33     -10.681  -7.798   0.459  1.00  1.63           C
ATOM    469  CE2 PHE A  33      -8.616  -7.591   1.646  1.00  1.86           C
ATOM    470  CZ  PHE A  33      -9.569  -8.381   1.034  1.00  1.96           C
ATOM      0  H   PHE A  33      -7.957  -4.480  -0.106  1.00  0.48           H   new
ATOM      0  HA  PHE A  33     -10.509  -3.828  -0.947  1.00  0.54           H   new
ATOM      0  HB2 PHE A  33      -9.372  -3.723   1.883  1.00  0.64           H   new
ATOM      0  HB3 PHE A  33     -11.064  -3.901   1.467  1.00  0.64           H   new
ATOM      0  HD1 PHE A  33     -11.712  -5.976   0.056  1.00  1.18           H   new
ATOM      0  HD2 PHE A  33      -8.031  -5.608   2.161  1.00  1.38           H   new
ATOM      0  HE1 PHE A  33     -11.426  -8.413  -0.023  1.00  1.63           H   new
ATOM      0  HE2 PHE A  33      -7.745  -8.044   2.096  1.00  1.86           H   new
ATOM      0  HZ  PHE A  33      -9.445  -9.453   1.005  1.00  1.96           H   new
ATOM    480  N   LEU A  34     -10.691  -1.364  -1.009  1.00  0.56           N
ATOM    481  CA  LEU A  34     -10.992   0.069  -0.992  1.00  0.53           C
ATOM    482  C   LEU A  34      -9.714   0.908  -0.950  1.00  0.43           C
ATOM    483  O   LEU A  34      -9.718   2.038  -0.460  1.00  0.49           O
ATOM    484  CB  LEU A  34     -11.901   0.429   0.194  1.00  0.63           C
ATOM    485  CG  LEU A  34     -13.370   0.001   0.072  1.00  0.92           C
ATOM    486  CD1 LEU A  34     -13.515  -1.514   0.101  1.00  1.75           C
ATOM    487  CD2 LEU A  34     -14.191   0.632   1.185  1.00  1.57           C
ATOM      0  H   LEU A  34     -11.091  -1.860  -1.806  1.00  0.56           H   new
ATOM      0  HA  LEU A  34     -11.520   0.299  -1.917  1.00  0.53           H   new
ATOM      0  HB2 LEU A  34     -11.485  -0.023   1.095  1.00  0.63           H   new
ATOM      0  HB3 LEU A  34     -11.869   1.509   0.336  1.00  0.63           H   new
ATOM      0  HG  LEU A  34     -13.743   0.350  -0.891  1.00  0.92           H   new
ATOM      0 HD11 LEU A  34     -14.568  -1.780   0.012  1.00  1.75           H   new
ATOM      0 HD12 LEU A  34     -12.960  -1.949  -0.730  1.00  1.75           H   new
ATOM      0 HD13 LEU A  34     -13.121  -1.899   1.042  1.00  1.75           H   new
ATOM      0 HD21 LEU A  34     -15.232   0.322   1.090  1.00  1.57           H   new
ATOM      0 HD22 LEU A  34     -13.803   0.309   2.151  1.00  1.57           H   new
ATOM      0 HD23 LEU A  34     -14.128   1.718   1.113  1.00  1.57           H   new
ATOM    499  N   GLY A  35      -8.628   0.358  -1.472  1.00  0.34           N
ATOM    500  CA  GLY A  35      -7.364   1.063  -1.452  1.00  0.34           C
ATOM    501  C   GLY A  35      -6.366   0.475  -2.423  1.00  0.28           C
ATOM    502  O   GLY A  35      -6.697  -0.430  -3.196  1.00  0.33           O
ATOM      0  H   GLY A  35      -8.600  -0.563  -1.909  1.00  0.34           H   new
ATOM      0  HA2 GLY A  35      -7.531   2.112  -1.696  1.00  0.34           H   new
ATOM      0  HA3 GLY A  35      -6.949   1.033  -0.445  1.00  0.34           H   new
ATOM    506  N   ILE A  36      -5.142   0.967  -2.381  1.00  0.24           N
ATOM    507  CA  ILE A  36      -4.129   0.519  -3.316  1.00  0.23           C
ATOM    508  C   ILE A  36      -2.799   0.251  -2.611  1.00  0.22           C
ATOM    509  O   ILE A  36      -2.337   1.051  -1.798  1.00  0.26           O
ATOM    510  CB  ILE A  36      -3.939   1.551  -4.454  1.00  0.27           C
ATOM    511  CG1 ILE A  36      -2.940   1.033  -5.489  1.00  0.29           C
ATOM    512  CG2 ILE A  36      -3.494   2.901  -3.903  1.00  0.31           C
ATOM    513  CD1 ILE A  36      -2.785   1.944  -6.685  1.00  0.37           C
ATOM      0  H   ILE A  36      -4.827   1.672  -1.714  1.00  0.24           H   new
ATOM      0  HA  ILE A  36      -4.473  -0.419  -3.751  1.00  0.23           H   new
ATOM      0  HB  ILE A  36      -4.902   1.691  -4.945  1.00  0.27           H   new
ATOM      0 HG12 ILE A  36      -1.968   0.904  -5.012  1.00  0.29           H   new
ATOM      0 HG13 ILE A  36      -3.260   0.049  -5.831  1.00  0.29           H   new
ATOM      0 HG21 ILE A  36      -3.368   3.606  -4.725  1.00  0.31           H   new
ATOM      0 HG22 ILE A  36      -4.248   3.279  -3.213  1.00  0.31           H   new
ATOM      0 HG23 ILE A  36      -2.547   2.785  -3.377  1.00  0.31           H   new
ATOM      0 HD11 ILE A  36      -2.061   1.515  -7.378  1.00  0.37           H   new
ATOM      0 HD12 ILE A  36      -3.747   2.053  -7.186  1.00  0.37           H   new
ATOM      0 HD13 ILE A  36      -2.435   2.922  -6.355  1.00  0.37           H   new
ATOM    525  N   CYS A  37      -2.209  -0.898  -2.899  1.00  0.24           N
ATOM    526  CA  CYS A  37      -0.902  -1.248  -2.363  1.00  0.27           C
ATOM    527  C   CYS A  37       0.175  -0.843  -3.360  1.00  0.24           C
ATOM    528  O   CYS A  37       0.320  -1.460  -4.414  1.00  0.33           O
ATOM    529  CB  CYS A  37      -0.830  -2.752  -2.077  1.00  0.37           C
ATOM    530  SG  CYS A  37       0.765  -3.322  -1.396  1.00  1.11           S
ATOM      0  H   CYS A  37      -2.618  -1.609  -3.505  1.00  0.24           H   new
ATOM      0  HA  CYS A  37      -0.741  -0.716  -1.425  1.00  0.27           H   new
ATOM      0  HB2 CYS A  37      -1.623  -3.013  -1.376  1.00  0.37           H   new
ATOM      0  HB3 CYS A  37      -1.030  -3.294  -3.001  1.00  0.37           H   new
ATOM    535  N   CYS A  38       0.906   0.212  -3.039  1.00  0.23           N
ATOM    536  CA  CYS A  38       1.917   0.743  -3.940  1.00  0.25           C
ATOM    537  C   CYS A  38       3.319   0.368  -3.476  1.00  0.20           C
ATOM    538  O   CYS A  38       3.693   0.616  -2.329  1.00  0.21           O
ATOM    539  CB  CYS A  38       1.785   2.259  -4.043  1.00  0.35           C
ATOM    540  SG  CYS A  38       0.235   2.814  -4.821  1.00  1.14           S
ATOM      0  H   CYS A  38       0.818   0.719  -2.158  1.00  0.23           H   new
ATOM      0  HA  CYS A  38       1.758   0.303  -4.924  1.00  0.25           H   new
ATOM      0  HB2 CYS A  38       1.852   2.688  -3.043  1.00  0.35           H   new
ATOM      0  HB3 CYS A  38       2.627   2.649  -4.615  1.00  0.35           H   new
ATOM    545  N   TYR A  39       4.090  -0.225  -4.375  1.00  0.21           N
ATOM    546  CA  TYR A  39       5.438  -0.662  -4.050  1.00  0.21           C
ATOM    547  C   TYR A  39       6.453  -0.060  -5.019  1.00  0.25           C
ATOM    548  O   TYR A  39       6.100   0.307  -6.152  1.00  0.29           O
ATOM    549  CB  TYR A  39       5.519  -2.193  -4.061  1.00  0.24           C
ATOM    550  CG  TYR A  39       5.107  -2.842  -5.367  1.00  0.28           C
ATOM    551  CD1 TYR A  39       6.016  -2.986  -6.410  1.00  0.36           C
ATOM    552  CD2 TYR A  39       3.805  -3.284  -5.570  1.00  0.33           C
ATOM    553  CE1 TYR A  39       5.639  -3.556  -7.610  1.00  0.45           C
ATOM    554  CE2 TYR A  39       3.422  -3.850  -6.769  1.00  0.41           C
ATOM    555  CZ  TYR A  39       4.364  -4.079  -7.743  1.00  0.46           C
ATOM    556  OH  TYR A  39       3.959  -4.548  -8.978  1.00  0.57           O
ATOM      0  H   TYR A  39       3.804  -0.414  -5.336  1.00  0.21           H   new
ATOM      0  HA  TYR A  39       5.681  -0.310  -3.047  1.00  0.21           H   new
ATOM      0  HB2 TYR A  39       6.542  -2.490  -3.831  1.00  0.24           H   new
ATOM      0  HB3 TYR A  39       4.887  -2.582  -3.263  1.00  0.24           H   new
ATOM      0  HD1 TYR A  39       7.033  -2.647  -6.279  1.00  0.36           H   new
ATOM      0  HD2 TYR A  39       3.080  -3.183  -4.776  1.00  0.33           H   new
ATOM      0  HE1 TYR A  39       6.332  -3.593  -8.437  1.00  0.45           H   new
ATOM      0  HE2 TYR A  39       2.388  -4.111  -6.941  1.00  0.41           H   new
ATOM      0  HH  TYR A  39       3.041  -4.885  -8.915  1.00  0.57           H   new
ATOM    566  N   PRO A  40       7.729   0.063  -4.599  1.00  0.28           N
ATOM    567  CA  PRO A  40       8.196  -0.326  -3.251  1.00  0.27           C
ATOM    568  C   PRO A  40       7.625   0.559  -2.147  1.00  0.31           C
ATOM    569  O   PRO A  40       7.138   1.661  -2.406  1.00  0.48           O
ATOM    570  CB  PRO A  40       9.717  -0.144  -3.325  1.00  0.45           C
ATOM    571  CG  PRO A  40      10.033  -0.046  -4.779  1.00  0.46           C
ATOM    572  CD  PRO A  40       8.832   0.576  -5.417  1.00  0.36           C
ATOM      0  HA  PRO A  40       7.878  -1.339  -3.002  1.00  0.27           H   new
ATOM      0  HB2 PRO A  40      10.032   0.754  -2.793  1.00  0.45           H   new
ATOM      0  HB3 PRO A  40      10.236  -0.985  -2.866  1.00  0.45           H   new
ATOM      0  HG2 PRO A  40      10.923   0.561  -4.946  1.00  0.46           H   new
ATOM      0  HG3 PRO A  40      10.235  -1.030  -5.202  1.00  0.46           H   new
ATOM      0  HD2 PRO A  40       8.880   1.665  -5.395  1.00  0.36           H   new
ATOM      0  HD3 PRO A  40       8.731   0.283  -6.462  1.00  0.36           H   new
ATOM    580  N   VAL A  41       7.675   0.056  -0.918  1.00  0.32           N
ATOM    581  CA  VAL A  41       7.142   0.770   0.237  1.00  0.50           C
ATOM    582  C   VAL A  41       7.936   2.047   0.547  1.00  0.62           C
ATOM    583  O   VAL A  41       8.974   2.011   1.216  1.00  0.74           O
ATOM    584  CB  VAL A  41       7.080  -0.145   1.491  1.00  0.68           C
ATOM    585  CG1 VAL A  41       8.428  -0.789   1.781  1.00  1.31           C
ATOM    586  CG2 VAL A  41       6.581   0.627   2.708  1.00  1.13           C
ATOM      0  H   VAL A  41       8.083  -0.852  -0.695  1.00  0.32           H   new
ATOM      0  HA  VAL A  41       6.127   1.067  -0.025  1.00  0.50           H   new
ATOM      0  HB  VAL A  41       6.369  -0.943   1.276  1.00  0.68           H   new
ATOM      0 HG11 VAL A  41       8.346  -1.422   2.665  1.00  1.31           H   new
ATOM      0 HG12 VAL A  41       8.733  -1.395   0.928  1.00  1.31           H   new
ATOM      0 HG13 VAL A  41       9.172  -0.012   1.958  1.00  1.31           H   new
ATOM      0 HG21 VAL A  41       6.547  -0.037   3.572  1.00  1.13           H   new
ATOM      0 HG22 VAL A  41       7.257   1.457   2.915  1.00  1.13           H   new
ATOM      0 HG23 VAL A  41       5.582   1.014   2.509  1.00  1.13           H   new
ATOM    596  N   ASP A  42       7.433   3.164   0.023  1.00  0.94           N
ATOM    597  CA  ASP A  42       7.950   4.504   0.321  1.00  1.29           C
ATOM    598  C   ASP A  42       9.422   4.643  -0.059  1.00  1.78           C
ATOM    599  O   ASP A  42      10.294   4.434   0.808  1.00  2.52           O
ATOM    600  CB  ASP A  42       7.741   4.845   1.802  1.00  2.07           C
ATOM    601  CG  ASP A  42       8.097   6.281   2.130  1.00  2.59           C
ATOM    602  OD1 ASP A  42       7.255   7.178   1.917  1.00  2.92           O
ATOM    603  OD2 ASP A  42       9.232   6.528   2.588  1.00  3.08           O
ATOM    604  OXT ASP A  42       9.700   4.965  -1.231  1.00  2.26           O
ATOM      0  H   ASP A  42       6.647   3.167  -0.627  1.00  0.94           H   new
ATOM      0  HA  ASP A  42       7.388   5.214  -0.286  1.00  1.29           H   new
ATOM      0  HB2 ASP A  42       6.700   4.664   2.068  1.00  2.07           H   new
ATOM      0  HB3 ASP A  42       8.347   4.176   2.413  1.00  2.07           H   new
TER     609      ASP A  42