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 Set 1.1: A  17 THR OG1 :   rot -120:sc=    1.49
USER  MOD Set 1.2: A  19 THR OG1 :   rot   27:sc=   0.035
USER  MOD Single : A   2 THR OG1 :   rot  -19:sc=   0.322
USER  MOD Single : A   3 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   8 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  13 TYR OH  :   rot   26:sc=  0.0259
USER  MOD Single : A  18 LYS NZ  :NH3+   -166:sc=  -0.059   (180deg=-0.26)
USER  MOD Single : A  22 SER OG  :   rot   28:sc=  0.0989
USER  MOD Single : A  23 ASN     :      amide:sc= -0.0747  X(o=-0.075,f=-0.071)
USER  MOD Single : A  26 TYR OH  :   rot  130:sc=  -0.742
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       0.705   0.095   7.595  1.00  1.13           N
ATOM     11  CA  THR A   2       0.150  -0.065   6.262  1.00  0.62           C
ATOM     12  C   THR A   2       1.114  -0.819   5.352  1.00  0.47           C
ATOM     13  O   THR A   2       1.142  -0.606   4.144  1.00  0.51           O
ATOM     14  CB  THR A   2      -0.202   1.302   5.640  1.00  0.67           C
ATOM     15  OG1 THR A   2       0.844   2.250   5.904  1.00  1.13           O
ATOM     16  CG2 THR A   2      -1.521   1.825   6.188  1.00  1.00           C
ATOM      0  HA  THR A   2      -0.765  -0.649   6.358  1.00  0.62           H   new
ATOM      0  HB  THR A   2      -0.304   1.168   4.563  1.00  0.67           H   new
ATOM      0  HG1 THR A   2       1.390   1.934   6.654  1.00  1.13           H   new
ATOM      0 HG21 THR A   2      -1.747   2.790   5.734  1.00  1.00           H   new
ATOM      0 HG22 THR A   2      -2.318   1.119   5.954  1.00  1.00           H   new
ATOM      0 HG23 THR A   2      -1.445   1.942   7.269  1.00  1.00           H   new
ATOM     24  N   THR A   3       1.903  -1.710   5.941  1.00  0.58           N
ATOM     25  CA  THR A   3       2.852  -2.502   5.178  1.00  0.55           C
ATOM     26  C   THR A   3       2.133  -3.593   4.386  1.00  0.43           C
ATOM     27  O   THR A   3       1.425  -4.430   4.951  1.00  0.53           O
ATOM     28  CB  THR A   3       3.917  -3.129   6.101  1.00  0.70           C
ATOM     29  OG1 THR A   3       4.556  -2.092   6.858  1.00  1.12           O
ATOM     30  CG2 THR A   3       4.963  -3.894   5.299  1.00  0.98           C
ATOM      0  H   THR A   3       1.902  -1.900   6.943  1.00  0.58           H   new
ATOM      0  HA  THR A   3       3.354  -1.836   4.477  1.00  0.55           H   new
ATOM      0  HB  THR A   3       3.422  -3.833   6.770  1.00  0.70           H   new
ATOM      0  HG1 THR A   3       5.232  -2.487   7.447  1.00  1.12           H   new
ATOM      0 HG21 THR A   3       5.699  -4.324   5.978  1.00  0.98           H   new
ATOM      0 HG22 THR A   3       4.478  -4.692   4.737  1.00  0.98           H   new
ATOM      0 HG23 THR A   3       5.461  -3.214   4.608  1.00  0.98           H   new
ATOM     38  N   CYS A   4       2.316  -3.565   3.077  1.00  0.39           N
ATOM     39  CA  CYS A   4       1.626  -4.466   2.170  1.00  0.45           C
ATOM     40  C   CYS A   4       2.639  -5.277   1.366  1.00  0.38           C
ATOM     41  O   CYS A   4       3.793  -4.873   1.227  1.00  0.51           O
ATOM     42  CB  CYS A   4       0.725  -3.639   1.245  1.00  0.73           C
ATOM     43  SG  CYS A   4       0.004  -4.554  -0.154  1.00  1.01           S
ATOM      0  H   CYS A   4       2.949  -2.915   2.612  1.00  0.39           H   new
ATOM      0  HA  CYS A   4       1.011  -5.167   2.734  1.00  0.45           H   new
ATOM      0  HB2 CYS A   4      -0.086  -3.215   1.838  1.00  0.73           H   new
ATOM      0  HB3 CYS A   4       1.304  -2.803   0.852  1.00  0.73           H   new
ATOM     48  N   TYR A   5       2.225  -6.427   0.856  1.00  0.47           N
ATOM     49  CA  TYR A   5       3.113  -7.255   0.055  1.00  0.50           C
ATOM     50  C   TYR A   5       2.438  -7.707  -1.232  1.00  0.61           C
ATOM     51  O   TYR A   5       1.363  -8.308  -1.206  1.00  0.85           O
ATOM     52  CB  TYR A   5       3.581  -8.487   0.836  1.00  0.58           C
ATOM     53  CG  TYR A   5       4.494  -8.186   2.008  1.00  0.56           C
ATOM     54  CD1 TYR A   5       5.835  -7.883   1.804  1.00  0.59           C
ATOM     55  CD2 TYR A   5       4.015  -8.192   3.314  1.00  0.63           C
ATOM     56  CE1 TYR A   5       6.671  -7.593   2.865  1.00  0.66           C
ATOM     57  CE2 TYR A   5       4.846  -7.906   4.379  1.00  0.69           C
ATOM     58  CZ  TYR A   5       6.169  -7.663   4.165  1.00  0.70           C
ATOM     59  OH  TYR A   5       7.004  -7.310   5.204  1.00  0.81           O
ATOM      0  H   TYR A   5       1.286  -6.806   0.981  1.00  0.47           H   new
ATOM      0  HA  TYR A   5       3.978  -6.640  -0.193  1.00  0.50           H   new
ATOM      0  HB2 TYR A   5       2.705  -9.021   1.204  1.00  0.58           H   new
ATOM      0  HB3 TYR A   5       4.100  -9.158   0.152  1.00  0.58           H   new
ATOM      0  HD1 TYR A   5       6.230  -7.874   0.799  1.00  0.59           H   new
ATOM      0  HD2 TYR A   5       2.976  -8.424   3.498  1.00  0.63           H   new
ATOM      0  HE1 TYR A   5       7.700  -7.316   2.690  1.00  0.66           H   new
ATOM      0  HE2 TYR A   5       4.447  -7.875   5.382  1.00  0.69           H   new
ATOM      0  HH  TYR A   5       6.526  -7.404   6.054  1.00  0.81           H   new
ATOM     69  N   CYS A   6       3.074  -7.412  -2.350  1.00  0.51           N
ATOM     70  CA  CYS A   6       2.645  -7.936  -3.635  1.00  0.62           C
ATOM     71  C   CYS A   6       3.532  -9.109  -4.009  1.00  0.70           C
ATOM     72  O   CYS A   6       4.609  -8.929  -4.585  1.00  0.69           O
ATOM     73  CB  CYS A   6       2.711  -6.858  -4.719  1.00  0.61           C
ATOM     74  SG  CYS A   6       1.488  -5.522  -4.518  1.00  1.20           S
ATOM      0  H   CYS A   6       3.895  -6.808  -2.395  1.00  0.51           H   new
ATOM      0  HA  CYS A   6       1.609  -8.264  -3.556  1.00  0.62           H   new
ATOM      0  HB2 CYS A   6       3.710  -6.423  -4.723  1.00  0.61           H   new
ATOM      0  HB3 CYS A   6       2.564  -7.327  -5.692  1.00  0.61           H   new
ATOM     79  N   GLY A   7       3.094 -10.306  -3.644  1.00  0.85           N
ATOM     80  CA  GLY A   7       3.914 -11.478  -3.836  1.00  0.97           C
ATOM     81  C   GLY A   7       5.075 -11.490  -2.869  1.00  0.93           C
ATOM     82  O   GLY A   7       4.935 -11.913  -1.722  1.00  1.01           O
ATOM      0  H   GLY A   7       2.184 -10.483  -3.218  1.00  0.85           H   new
ATOM      0  HA2 GLY A   7       3.311 -12.375  -3.697  1.00  0.97           H   new
ATOM      0  HA3 GLY A   7       4.288 -11.501  -4.860  1.00  0.97           H   new
ATOM     86  N   LYS A   8       6.216 -11.001  -3.321  1.00  0.91           N
ATOM     87  CA  LYS A   8       7.384 -10.893  -2.473  1.00  0.94           C
ATOM     88  C   LYS A   8       7.854  -9.445  -2.401  1.00  0.79           C
ATOM     89  O   LYS A   8       8.808  -9.127  -1.695  1.00  0.86           O
ATOM     90  CB  LYS A   8       8.506 -11.796  -2.993  1.00  1.16           C
ATOM     91  CG  LYS A   8       8.111 -13.261  -3.077  1.00  1.65           C
ATOM     92  CD  LYS A   8       9.223 -14.109  -3.663  1.00  2.18           C
ATOM     93  CE  LYS A   8       8.780 -15.550  -3.846  1.00  3.07           C
ATOM     94  NZ  LYS A   8       9.831 -16.377  -4.481  1.00  3.65           N
ATOM      0  H   LYS A   8       6.356 -10.671  -4.276  1.00  0.91           H   new
ATOM      0  HA  LYS A   8       7.116 -11.220  -1.468  1.00  0.94           H   new
ATOM      0  HB2 LYS A   8       8.811 -11.452  -3.981  1.00  1.16           H   new
ATOM      0  HB3 LYS A   8       9.373 -11.698  -2.340  1.00  1.16           H   new
ATOM      0  HG2 LYS A   8       7.860 -13.628  -2.082  1.00  1.65           H   new
ATOM      0  HG3 LYS A   8       7.215 -13.362  -3.690  1.00  1.65           H   new
ATOM      0  HD2 LYS A   8       9.530 -13.696  -4.624  1.00  2.18           H   new
ATOM      0  HD3 LYS A   8      10.093 -14.074  -3.008  1.00  2.18           H   new
ATOM      0  HE2 LYS A   8       8.520 -15.975  -2.877  1.00  3.07           H   new
ATOM      0  HE3 LYS A   8       7.878 -15.577  -4.458  1.00  3.07           H   new
ATOM      0  HZ1 LYS A   8       9.488 -17.353  -4.587  1.00  3.65           H   new
ATOM      0  HZ2 LYS A   8      10.061 -15.987  -5.417  1.00  3.65           H   new
ATOM      0  HZ3 LYS A   8      10.683 -16.373  -3.885  1.00  3.65           H   new
ATOM    108  N   THR A   9       7.173  -8.567  -3.129  1.00  0.66           N
ATOM    109  CA  THR A   9       7.546  -7.162  -3.164  1.00  0.55           C
ATOM    110  C   THR A   9       6.874  -6.396  -2.026  1.00  0.42           C
ATOM    111  O   THR A   9       5.659  -6.489  -1.839  1.00  0.42           O
ATOM    112  CB  THR A   9       7.157  -6.519  -4.507  1.00  0.55           C
ATOM    113  OG1 THR A   9       7.510  -7.394  -5.587  1.00  0.72           O
ATOM    114  CG2 THR A   9       7.861  -5.186  -4.682  1.00  0.50           C
ATOM      0  H   THR A   9       6.362  -8.805  -3.701  1.00  0.66           H   new
ATOM      0  HA  THR A   9       8.628  -7.108  -3.046  1.00  0.55           H   new
ATOM      0  HB  THR A   9       6.080  -6.352  -4.512  1.00  0.55           H   new
ATOM      0  HG1 THR A   9       7.258  -6.980  -6.439  1.00  0.72           H   new
ATOM      0 HG21 THR A   9       7.574  -4.746  -5.637  1.00  0.50           H   new
ATOM      0 HG22 THR A   9       7.575  -4.515  -3.872  1.00  0.50           H   new
ATOM      0 HG23 THR A   9       8.940  -5.339  -4.663  1.00  0.50           H   new
ATOM    122  N   ILE A  10       7.663  -5.641  -1.272  1.00  0.39           N
ATOM    123  CA  ILE A  10       7.142  -4.887  -0.138  1.00  0.32           C
ATOM    124  C   ILE A  10       6.609  -3.516  -0.567  1.00  0.24           C
ATOM    125  O   ILE A  10       7.359  -2.628  -1.003  1.00  0.31           O
ATOM    126  CB  ILE A  10       8.204  -4.728   0.978  1.00  0.46           C
ATOM    127  CG1 ILE A  10       7.712  -3.760   2.062  1.00  0.64           C
ATOM    128  CG2 ILE A  10       9.538  -4.276   0.395  1.00  0.56           C
ATOM    129  CD1 ILE A  10       8.671  -3.606   3.223  1.00  1.06           C
ATOM      0  H   ILE A  10       8.666  -5.534  -1.425  1.00  0.39           H   new
ATOM      0  HA  ILE A  10       6.309  -5.462   0.266  1.00  0.32           H   new
ATOM      0  HB  ILE A  10       8.359  -5.700   1.446  1.00  0.46           H   new
ATOM      0 HG12 ILE A  10       7.540  -2.782   1.612  1.00  0.64           H   new
ATOM      0 HG13 ILE A  10       6.751  -4.110   2.440  1.00  0.64           H   new
ATOM      0 HG21 ILE A  10      10.269  -4.171   1.197  1.00  0.56           H   new
ATOM      0 HG22 ILE A  10       9.891  -5.016  -0.323  1.00  0.56           H   new
ATOM      0 HG23 ILE A  10       9.410  -3.317  -0.107  1.00  0.56           H   new
ATOM      0 HD11 ILE A  10       8.255  -2.907   3.948  1.00  1.06           H   new
ATOM      0 HD12 ILE A  10       8.824  -4.574   3.699  1.00  1.06           H   new
ATOM      0 HD13 ILE A  10       9.625  -3.226   2.859  1.00  1.06           H   new
ATOM    141  N   GLY A  11       5.303  -3.358  -0.437  1.00  0.22           N
ATOM    142  CA  GLY A  11       4.650  -2.124  -0.801  1.00  0.32           C
ATOM    143  C   GLY A  11       3.902  -1.526   0.369  1.00  0.28           C
ATOM    144  O   GLY A  11       3.995  -2.024   1.491  1.00  0.36           O
ATOM      0  H   GLY A  11       4.675  -4.078  -0.079  1.00  0.22           H   new
ATOM      0  HA2 GLY A  11       5.392  -1.412  -1.162  1.00  0.32           H   new
ATOM      0  HA3 GLY A  11       3.957  -2.307  -1.622  1.00  0.32           H   new
ATOM    148  N   ILE A  12       3.172  -0.460   0.121  1.00  0.25           N
ATOM    149  CA  ILE A  12       2.431   0.209   1.172  1.00  0.25           C
ATOM    150  C   ILE A  12       0.965   0.358   0.771  1.00  0.22           C
ATOM    151  O   ILE A  12       0.641   0.719  -0.367  1.00  0.22           O
ATOM    152  CB  ILE A  12       3.083   1.578   1.519  1.00  0.30           C
ATOM    153  CG1 ILE A  12       2.398   2.260   2.719  1.00  0.33           C
ATOM    154  CG2 ILE A  12       3.092   2.493   0.307  1.00  0.30           C
ATOM    155  CD1 ILE A  12       1.192   3.115   2.366  1.00  0.29           C
ATOM      0  H   ILE A  12       3.075  -0.036  -0.802  1.00  0.25           H   new
ATOM      0  HA  ILE A  12       2.466  -0.401   2.075  1.00  0.25           H   new
ATOM      0  HB  ILE A  12       4.114   1.380   1.810  1.00  0.30           H   new
ATOM      0 HG12 ILE A  12       2.086   1.491   3.426  1.00  0.33           H   new
ATOM      0 HG13 ILE A  12       3.131   2.884   3.230  1.00  0.33           H   new
ATOM      0 HG21 ILE A  12       3.552   3.445   0.573  1.00  0.30           H   new
ATOM      0 HG22 ILE A  12       3.661   2.026  -0.497  1.00  0.30           H   new
ATOM      0 HG23 ILE A  12       2.069   2.666  -0.026  1.00  0.30           H   new
ATOM      0 HD11 ILE A  12       0.778   3.553   3.274  1.00  0.29           H   new
ATOM      0 HD12 ILE A  12       1.497   3.910   1.686  1.00  0.29           H   new
ATOM      0 HD13 ILE A  12       0.435   2.496   1.884  1.00  0.29           H   new
ATOM    167  N   TYR A  13       0.088   0.040   1.709  1.00  0.24           N
ATOM    168  CA  TYR A  13      -1.345   0.049   1.479  1.00  0.23           C
ATOM    169  C   TYR A  13      -1.923   1.453   1.652  1.00  0.21           C
ATOM    170  O   TYR A  13      -2.072   1.947   2.772  1.00  0.26           O
ATOM    171  CB  TYR A  13      -2.007  -0.944   2.440  1.00  0.28           C
ATOM    172  CG  TYR A  13      -3.516  -0.872   2.483  1.00  0.32           C
ATOM    173  CD1 TYR A  13      -4.261  -1.066   1.327  1.00  0.53           C
ATOM    174  CD2 TYR A  13      -4.193  -0.604   3.666  1.00  0.49           C
ATOM    175  CE1 TYR A  13      -5.639  -1.001   1.349  1.00  0.65           C
ATOM    176  CE2 TYR A  13      -5.573  -0.536   3.693  1.00  0.61           C
ATOM    177  CZ  TYR A  13      -6.285  -0.741   2.592  1.00  0.64           C
ATOM    178  OH  TYR A  13      -7.656  -0.670   2.556  1.00  0.80           O
ATOM      0  H   TYR A  13       0.353  -0.233   2.656  1.00  0.24           H   new
ATOM      0  HA  TYR A  13      -1.547  -0.253   0.452  1.00  0.23           H   new
ATOM      0  HB2 TYR A  13      -1.713  -1.954   2.156  1.00  0.28           H   new
ATOM      0  HB3 TYR A  13      -1.620  -0.770   3.444  1.00  0.28           H   new
ATOM      0  HD1 TYR A  13      -3.754  -1.271   0.396  1.00  0.53           H   new
ATOM      0  HD2 TYR A  13      -3.634  -0.447   4.576  1.00  0.49           H   new
ATOM      0  HE1 TYR A  13      -6.214  -1.144   0.446  1.00  0.65           H   new
ATOM      0  HE2 TYR A  13      -6.078  -0.313   4.621  1.00  0.61           H   new
ATOM      0  HH  TYR A  13      -7.991  -1.198   1.802  1.00  0.80           H   new
ATOM    188  N   TRP A  14      -2.230   2.091   0.535  1.00  0.20           N
ATOM    189  CA  TRP A  14      -2.834   3.411   0.545  1.00  0.20           C
ATOM    190  C   TRP A  14      -4.352   3.311   0.587  1.00  0.21           C
ATOM    191  O   TRP A  14      -5.003   3.094  -0.437  1.00  0.27           O
ATOM    192  CB  TRP A  14      -2.400   4.215  -0.680  1.00  0.23           C
ATOM    193  CG  TRP A  14      -0.992   4.709  -0.604  1.00  0.23           C
ATOM    194  CD1 TRP A  14       0.116   4.118  -1.136  1.00  0.28           C
ATOM    195  CD2 TRP A  14      -0.540   5.900   0.047  1.00  0.28           C
ATOM    196  NE1 TRP A  14       1.231   4.872  -0.856  1.00  0.31           N
ATOM    197  CE2 TRP A  14       0.854   5.969  -0.129  1.00  0.31           C
ATOM    198  CE3 TRP A  14      -1.178   6.918   0.763  1.00  0.35           C
ATOM    199  CZ2 TRP A  14       1.619   7.013   0.385  1.00  0.40           C
ATOM    200  CZ3 TRP A  14      -0.419   7.954   1.270  1.00  0.45           C
ATOM    201  CH2 TRP A  14       0.967   7.993   1.079  1.00  0.47           C
ATOM      0  H   TRP A  14      -2.069   1.711  -0.398  1.00  0.20           H   new
ATOM      0  HA  TRP A  14      -2.492   3.927   1.442  1.00  0.20           H   new
ATOM      0  HB2 TRP A  14      -2.511   3.594  -1.569  1.00  0.23           H   new
ATOM      0  HB3 TRP A  14      -3.069   5.067  -0.801  1.00  0.23           H   new
ATOM      0  HD1 TRP A  14       0.117   3.194  -1.695  1.00  0.28           H   new
ATOM      0  HE1 TRP A  14       2.184   4.650  -1.143  1.00  0.31           H   new
ATOM      0  HE3 TRP A  14      -2.247   6.894   0.917  1.00  0.35           H   new
ATOM      0  HZ2 TRP A  14       2.689   7.047   0.240  1.00  0.40           H   new
ATOM      0  HZ3 TRP A  14      -0.902   8.746   1.822  1.00  0.45           H   new
ATOM      0  HH2 TRP A  14       1.534   8.816   1.489  1.00  0.47           H   new
ATOM    212  N   PHE A  15      -4.907   3.451   1.776  1.00  0.32           N
ATOM    213  CA  PHE A  15      -6.349   3.424   1.954  1.00  0.38           C
ATOM    214  C   PHE A  15      -6.926   4.816   1.733  1.00  0.41           C
ATOM    215  O   PHE A  15      -6.696   5.729   2.529  1.00  0.57           O
ATOM    216  CB  PHE A  15      -6.696   2.909   3.357  1.00  0.46           C
ATOM    217  CG  PHE A  15      -8.164   2.927   3.682  1.00  0.55           C
ATOM    218  CD1 PHE A  15      -8.994   1.912   3.232  1.00  0.65           C
ATOM    219  CD2 PHE A  15      -8.718   3.959   4.424  1.00  0.62           C
ATOM    220  CE1 PHE A  15     -10.343   1.924   3.518  1.00  0.75           C
ATOM    221  CE2 PHE A  15     -10.067   3.975   4.712  1.00  0.70           C
ATOM    222  CZ  PHE A  15     -10.870   2.959   4.304  1.00  0.75           C
ATOM      0  H   PHE A  15      -4.379   3.585   2.638  1.00  0.32           H   new
ATOM      0  HA  PHE A  15      -6.788   2.747   1.221  1.00  0.38           H   new
ATOM      0  HB2 PHE A  15      -6.327   1.888   3.457  1.00  0.46           H   new
ATOM      0  HB3 PHE A  15      -6.166   3.513   4.093  1.00  0.46           H   new
ATOM      0  HD1 PHE A  15      -8.579   1.102   2.650  1.00  0.65           H   new
ATOM      0  HD2 PHE A  15      -8.086   4.759   4.780  1.00  0.62           H   new
ATOM      0  HE1 PHE A  15     -10.987   1.144   3.140  1.00  0.75           H   new
ATOM      0  HE2 PHE A  15     -10.487   4.801   5.266  1.00  0.70           H   new
ATOM      0  HZ  PHE A  15     -11.913   2.948   4.584  1.00  0.75           H   new
ATOM    232  N   GLY A  16      -7.653   4.986   0.639  1.00  0.50           N
ATOM    233  CA  GLY A  16      -8.298   6.256   0.379  1.00  0.60           C
ATOM    234  C   GLY A  16      -7.810   6.931  -0.890  1.00  0.65           C
ATOM    235  O   GLY A  16      -8.052   8.121  -1.092  1.00  1.07           O
ATOM      0  H   GLY A  16      -7.808   4.270  -0.071  1.00  0.50           H   new
ATOM      0  HA2 GLY A  16      -9.375   6.101   0.308  1.00  0.60           H   new
ATOM      0  HA3 GLY A  16      -8.127   6.922   1.225  1.00  0.60           H   new
ATOM    239  N   THR A  17      -7.119   6.188  -1.740  1.00  0.46           N
ATOM    240  CA  THR A  17      -6.685   6.716  -3.025  1.00  0.47           C
ATOM    241  C   THR A  17      -6.568   5.598  -4.054  1.00  0.50           C
ATOM    242  O   THR A  17      -6.237   4.460  -3.722  1.00  0.57           O
ATOM    243  CB  THR A  17      -5.340   7.484  -2.930  1.00  0.48           C
ATOM    244  OG1 THR A  17      -4.924   7.913  -4.238  1.00  0.56           O
ATOM    245  CG2 THR A  17      -4.244   6.631  -2.306  1.00  0.47           C
ATOM      0  H   THR A  17      -6.847   5.221  -1.565  1.00  0.46           H   new
ATOM      0  HA  THR A  17      -7.448   7.427  -3.343  1.00  0.47           H   new
ATOM      0  HB  THR A  17      -5.503   8.350  -2.288  1.00  0.48           H   new
ATOM      0  HG1 THR A  17      -4.052   7.520  -4.449  1.00  0.56           H   new
ATOM      0 HG21 THR A  17      -3.319   7.205  -2.258  1.00  0.47           H   new
ATOM      0 HG22 THR A  17      -4.541   6.336  -1.300  1.00  0.47           H   new
ATOM      0 HG23 THR A  17      -4.086   5.740  -2.913  1.00  0.47           H   new
ATOM    253  N   LYS A  18      -6.873   5.937  -5.298  1.00  0.58           N
ATOM    254  CA  LYS A  18      -6.774   5.008  -6.411  1.00  0.69           C
ATOM    255  C   LYS A  18      -5.449   5.222  -7.141  1.00  0.64           C
ATOM    256  O   LYS A  18      -5.059   4.441  -8.016  1.00  0.71           O
ATOM    257  CB  LYS A  18      -7.959   5.225  -7.360  1.00  0.91           C
ATOM    258  CG  LYS A  18      -7.976   4.301  -8.564  1.00  1.70           C
ATOM    259  CD  LYS A  18      -8.119   2.844  -8.154  1.00  2.32           C
ATOM    260  CE  LYS A  18      -8.072   1.922  -9.360  1.00  3.29           C
ATOM    261  NZ  LYS A  18      -9.107   2.277 -10.365  1.00  3.98           N
ATOM      0  H   LYS A  18      -7.197   6.867  -5.563  1.00  0.58           H   new
ATOM      0  HA  LYS A  18      -6.803   3.983  -6.043  1.00  0.69           H   new
ATOM      0  HB2 LYS A  18      -8.885   5.091  -6.801  1.00  0.91           H   new
ATOM      0  HB3 LYS A  18      -7.944   6.257  -7.710  1.00  0.91           H   new
ATOM      0  HG2 LYS A  18      -8.800   4.576  -9.222  1.00  1.70           H   new
ATOM      0  HG3 LYS A  18      -7.056   4.430  -9.134  1.00  1.70           H   new
ATOM      0  HD2 LYS A  18      -7.321   2.580  -7.461  1.00  2.32           H   new
ATOM      0  HD3 LYS A  18      -9.061   2.704  -7.624  1.00  2.32           H   new
ATOM      0  HE2 LYS A  18      -7.085   1.975  -9.820  1.00  3.29           H   new
ATOM      0  HE3 LYS A  18      -8.218   0.892  -9.036  1.00  3.29           H   new
ATOM      0  HZ1 LYS A  18      -9.206   1.501 -11.050  1.00  3.98           H   new
ATOM      0  HZ2 LYS A  18     -10.017   2.434  -9.886  1.00  3.98           H   new
ATOM      0  HZ3 LYS A  18      -8.824   3.145 -10.863  1.00  3.98           H   new
ATOM    275  N   THR A  19      -4.751   6.282  -6.765  1.00  0.62           N
ATOM    276  CA  THR A  19      -3.498   6.631  -7.406  1.00  0.69           C
ATOM    277  C   THR A  19      -2.342   6.607  -6.416  1.00  0.60           C
ATOM    278  O   THR A  19      -2.486   7.032  -5.266  1.00  0.89           O
ATOM    279  CB  THR A  19      -3.584   8.023  -8.058  1.00  0.84           C
ATOM    280  OG1 THR A  19      -4.222   8.949  -7.164  1.00  1.60           O
ATOM    281  CG2 THR A  19      -4.351   7.955  -9.366  1.00  1.50           C
ATOM      0  H   THR A  19      -5.034   6.915  -6.017  1.00  0.62           H   new
ATOM      0  HA  THR A  19      -3.313   5.884  -8.178  1.00  0.69           H   new
ATOM      0  HB  THR A  19      -2.571   8.368  -8.267  1.00  0.84           H   new
ATOM      0  HG1 THR A  19      -4.078   8.662  -6.238  1.00  1.60           H   new
ATOM      0 HG21 THR A  19      -4.401   8.949  -9.811  1.00  1.50           H   new
ATOM      0 HG22 THR A  19      -3.843   7.276 -10.051  1.00  1.50           H   new
ATOM      0 HG23 THR A  19      -5.361   7.591  -9.177  1.00  1.50           H   new
ATOM    289  N   CYS A  20      -1.205   6.091  -6.859  1.00  0.60           N
ATOM    290  CA  CYS A  20      -0.003   6.104  -6.049  1.00  0.62           C
ATOM    291  C   CYS A  20       0.597   7.498  -6.044  1.00  0.52           C
ATOM    292  O   CYS A  20       0.774   8.101  -7.106  1.00  0.65           O
ATOM    293  CB  CYS A  20       1.023   5.107  -6.587  1.00  0.87           C
ATOM    294  SG  CYS A  20       0.459   3.378  -6.562  1.00  0.91           S
ATOM      0  H   CYS A  20      -1.093   5.659  -7.776  1.00  0.60           H   new
ATOM      0  HA  CYS A  20      -0.269   5.816  -5.032  1.00  0.62           H   new
ATOM      0  HB2 CYS A  20       1.278   5.380  -7.611  1.00  0.87           H   new
ATOM      0  HB3 CYS A  20       1.937   5.189  -5.999  1.00  0.87           H   new
ATOM    299  N   PRO A  21       0.891   8.038  -4.852  1.00  0.45           N
ATOM    300  CA  PRO A  21       1.545   9.342  -4.717  1.00  0.56           C
ATOM    301  C   PRO A  21       2.890   9.351  -5.440  1.00  0.71           C
ATOM    302  O   PRO A  21       3.903   8.885  -4.911  1.00  0.82           O
ATOM    303  CB  PRO A  21       1.723   9.504  -3.202  1.00  0.62           C
ATOM    304  CG  PRO A  21       0.732   8.569  -2.592  1.00  0.51           C
ATOM    305  CD  PRO A  21       0.609   7.419  -3.549  1.00  0.49           C
ATOM      0  HA  PRO A  21       0.970  10.156  -5.158  1.00  0.56           H   new
ATOM      0  HB2 PRO A  21       2.739   9.256  -2.896  1.00  0.62           H   new
ATOM      0  HB3 PRO A  21       1.538  10.532  -2.891  1.00  0.62           H   new
ATOM      0  HG2 PRO A  21       1.068   8.228  -1.613  1.00  0.51           H   new
ATOM      0  HG3 PRO A  21      -0.230   9.060  -2.446  1.00  0.51           H   new
ATOM      0  HD2 PRO A  21       1.319   6.625  -3.318  1.00  0.49           H   new
ATOM      0  HD3 PRO A  21      -0.386   6.975  -3.520  1.00  0.49           H   new
ATOM    313  N   SER A  22       2.887   9.875  -6.660  1.00  0.99           N
ATOM    314  CA  SER A  22       4.047   9.825  -7.536  1.00  1.26           C
ATOM    315  C   SER A  22       5.068  10.899  -7.167  1.00  1.32           C
ATOM    316  O   SER A  22       5.512  11.683  -8.009  1.00  1.83           O
ATOM    317  CB  SER A  22       3.587   9.977  -8.982  1.00  1.68           C
ATOM    318  OG  SER A  22       2.594   9.012  -9.288  1.00  2.07           O
ATOM      0  H   SER A  22       2.080  10.346  -7.068  1.00  0.99           H   new
ATOM      0  HA  SER A  22       4.542   8.862  -7.416  1.00  1.26           H   new
ATOM      0  HB2 SER A  22       3.190  10.980  -9.141  1.00  1.68           H   new
ATOM      0  HB3 SER A  22       4.436   9.860  -9.655  1.00  1.68           H   new
ATOM      0  HG  SER A  22       2.107   8.773  -8.472  1.00  2.07           H   new
ATOM    324  N   ASN A  23       5.421  10.918  -5.894  1.00  1.04           N
ATOM    325  CA  ASN A  23       6.405  11.845  -5.362  1.00  1.20           C
ATOM    326  C   ASN A  23       7.307  11.126  -4.373  1.00  1.07           C
ATOM    327  O   ASN A  23       8.211  11.720  -3.788  1.00  1.27           O
ATOM    328  CB  ASN A  23       5.704  13.009  -4.657  1.00  1.39           C
ATOM    329  CG  ASN A  23       4.823  12.538  -3.515  1.00  1.32           C
ATOM    330  OD1 ASN A  23       3.643  12.246  -3.709  1.00  1.83           O
ATOM    331  ND2 ASN A  23       5.381  12.475  -2.316  1.00  1.61           N
ATOM      0  H   ASN A  23       5.030  10.286  -5.195  1.00  1.04           H   new
ATOM      0  HA  ASN A  23       7.004  12.233  -6.186  1.00  1.20           H   new
ATOM      0  HB2 ASN A  23       6.452  13.704  -4.275  1.00  1.39           H   new
ATOM      0  HB3 ASN A  23       5.099  13.558  -5.379  1.00  1.39           H   new
ATOM      0 HD21 ASN A  23       4.829  12.176  -1.512  1.00  1.61           H   new
ATOM      0 HD22 ASN A  23       6.363  12.725  -2.196  1.00  1.61           H   new
ATOM    338  N   ARG A  24       7.050   9.839  -4.189  1.00  0.95           N
ATOM    339  CA  ARG A  24       7.735   9.064  -3.175  1.00  1.02           C
ATOM    340  C   ARG A  24       8.795   8.168  -3.800  1.00  1.13           C
ATOM    341  O   ARG A  24       9.933   8.128  -3.340  1.00  1.71           O
ATOM    342  CB  ARG A  24       6.726   8.215  -2.410  1.00  1.06           C
ATOM    343  CG  ARG A  24       7.252   7.660  -1.101  1.00  1.42           C
ATOM    344  CD  ARG A  24       7.064   8.646   0.045  1.00  1.41           C
ATOM    345  NE  ARG A  24       7.890   9.847  -0.082  1.00  2.03           N
ATOM    346  CZ  ARG A  24       7.574  11.022   0.464  1.00  2.71           C
ATOM    347  NH1 ARG A  24       6.422  11.166   1.114  1.00  3.19           N
ATOM    348  NH2 ARG A  24       8.400  12.052   0.348  1.00  3.39           N
ATOM      0  H   ARG A  24       6.368   9.311  -4.734  1.00  0.95           H   new
ATOM      0  HA  ARG A  24       8.229   9.752  -2.489  1.00  1.02           H   new
ATOM      0  HB2 ARG A  24       5.840   8.817  -2.207  1.00  1.06           H   new
ATOM      0  HB3 ARG A  24       6.410   7.386  -3.043  1.00  1.06           H   new
ATOM      0  HG2 ARG A  24       6.737   6.728  -0.868  1.00  1.42           H   new
ATOM      0  HG3 ARG A  24       8.310   7.421  -1.206  1.00  1.42           H   new
ATOM      0  HD2 ARG A  24       6.015   8.939   0.095  1.00  1.41           H   new
ATOM      0  HD3 ARG A  24       7.301   8.149   0.985  1.00  1.41           H   new
ATOM      0  HE  ARG A  24       8.755   9.782  -0.618  1.00  2.03           H   new
ATOM      0 HH11 ARG A  24       5.780  10.377   1.195  1.00  3.19           H   new
ATOM      0 HH12 ARG A  24       6.181  12.065   1.531  1.00  3.19           H   new
ATOM      0 HH21 ARG A  24       9.279  11.947  -0.159  1.00  3.39           H   new
ATOM      0 HH22 ARG A  24       8.157  12.950   0.766  1.00  3.39           H   new
ATOM    362  N   GLY A  25       8.420   7.471  -4.863  1.00  0.93           N
ATOM    363  CA  GLY A  25       9.335   6.544  -5.503  1.00  1.10           C
ATOM    364  C   GLY A  25       8.676   5.222  -5.859  1.00  0.81           C
ATOM    365  O   GLY A  25       9.359   4.240  -6.146  1.00  0.78           O
ATOM      0  H   GLY A  25       7.498   7.530  -5.295  1.00  0.93           H   new
ATOM      0  HA2 GLY A  25       9.735   7.001  -6.408  1.00  1.10           H   new
ATOM      0  HA3 GLY A  25      10.180   6.357  -4.840  1.00  1.10           H   new
ATOM    369  N   TYR A  26       7.348   5.196  -5.836  1.00  0.71           N
ATOM    370  CA  TYR A  26       6.593   3.992  -6.161  1.00  0.50           C
ATOM    371  C   TYR A  26       6.692   3.690  -7.648  1.00  0.49           C
ATOM    372  O   TYR A  26       6.614   4.594  -8.481  1.00  0.71           O
ATOM    373  CB  TYR A  26       5.125   4.150  -5.760  1.00  0.51           C
ATOM    374  CG  TYR A  26       4.937   4.483  -4.300  1.00  0.93           C
ATOM    375  CD1 TYR A  26       5.400   3.629  -3.310  1.00  1.52           C
ATOM    376  CD2 TYR A  26       4.285   5.647  -3.915  1.00  1.20           C
ATOM    377  CE1 TYR A  26       5.220   3.924  -1.974  1.00  2.35           C
ATOM    378  CE2 TYR A  26       4.102   5.951  -2.582  1.00  2.02           C
ATOM    379  CZ  TYR A  26       4.609   5.103  -1.614  1.00  2.61           C
ATOM    380  OH  TYR A  26       4.391   5.386  -0.285  1.00  3.45           O
ATOM      0  H   TYR A  26       6.769   6.000  -5.594  1.00  0.71           H   new
ATOM      0  HA  TYR A  26       7.021   3.161  -5.600  1.00  0.50           H   new
ATOM      0  HB2 TYR A  26       4.673   4.935  -6.366  1.00  0.51           H   new
ATOM      0  HB3 TYR A  26       4.592   3.226  -5.986  1.00  0.51           H   new
ATOM      0  HD1 TYR A  26       5.910   2.719  -3.589  1.00  1.52           H   new
ATOM      0  HD2 TYR A  26       3.916   6.325  -4.671  1.00  1.20           H   new
ATOM      0  HE1 TYR A  26       5.557   3.233  -1.215  1.00  2.35           H   new
ATOM      0  HE2 TYR A  26       3.567   6.845  -2.296  1.00  2.02           H   new
ATOM      0  HH  TYR A  26       4.721   6.286  -0.084  1.00  3.45           H   new
ATOM    390  N   THR A  27       6.869   2.428  -7.979  1.00  0.41           N
ATOM    391  CA  THR A  27       7.020   2.019  -9.364  1.00  0.53           C
ATOM    392  C   THR A  27       5.854   1.133  -9.794  1.00  0.45           C
ATOM    393  O   THR A  27       5.419   1.173 -10.949  1.00  0.67           O
ATOM    394  CB  THR A  27       8.345   1.263  -9.551  1.00  0.66           C
ATOM    395  OG1 THR A  27       9.392   1.957  -8.855  1.00  1.18           O
ATOM    396  CG2 THR A  27       8.708   1.151 -11.023  1.00  1.33           C
ATOM      0  H   THR A  27       6.912   1.663  -7.306  1.00  0.41           H   new
ATOM      0  HA  THR A  27       7.027   2.914  -9.987  1.00  0.53           H   new
ATOM      0  HB  THR A  27       8.227   0.257  -9.147  1.00  0.66           H   new
ATOM      0  HG1 THR A  27      10.237   1.475  -8.972  1.00  1.18           H   new
ATOM      0 HG21 THR A  27       9.650   0.612 -11.126  1.00  1.33           H   new
ATOM      0 HG22 THR A  27       7.922   0.612 -11.552  1.00  1.33           H   new
ATOM      0 HG23 THR A  27       8.813   2.149 -11.449  1.00  1.33           H   new
ATOM    404  N   GLY A  28       5.334   0.353  -8.854  1.00  0.29           N
ATOM    405  CA  GLY A  28       4.241  -0.545  -9.156  1.00  0.31           C
ATOM    406  C   GLY A  28       3.114  -0.412  -8.159  1.00  0.29           C
ATOM    407  O   GLY A  28       3.223   0.342  -7.188  1.00  0.35           O
ATOM      0  H   GLY A  28       5.653   0.328  -7.885  1.00  0.29           H   new
ATOM      0  HA2 GLY A  28       3.866  -0.337 -10.158  1.00  0.31           H   new
ATOM      0  HA3 GLY A  28       4.605  -1.572  -9.158  1.00  0.31           H   new
ATOM    411  N   SER A  29       2.040  -1.149  -8.386  1.00  0.31           N
ATOM    412  CA  SER A  29       0.870  -1.078  -7.527  1.00  0.34           C
ATOM    413  C   SER A  29      -0.044  -2.288  -7.720  1.00  0.37           C
ATOM    414  O   SER A  29      -0.112  -2.868  -8.805  1.00  0.52           O
ATOM    415  CB  SER A  29       0.105   0.217  -7.794  1.00  0.43           C
ATOM    416  OG  SER A  29       0.004   0.477  -9.187  1.00  0.96           O
ATOM      0  H   SER A  29       1.954  -1.806  -9.161  1.00  0.31           H   new
ATOM      0  HA  SER A  29       1.211  -1.087  -6.492  1.00  0.34           H   new
ATOM      0  HB2 SER A  29      -0.893   0.149  -7.361  1.00  0.43           H   new
ATOM      0  HB3 SER A  29       0.610   1.048  -7.302  1.00  0.43           H   new
ATOM      0  HG  SER A  29      -0.492   1.310  -9.329  1.00  0.96           H   new
ATOM    422  N   CYS A  30      -0.722  -2.667  -6.648  1.00  0.34           N
ATOM    423  CA  CYS A  30      -1.687  -3.756  -6.679  1.00  0.40           C
ATOM    424  C   CYS A  30      -3.026  -3.262  -6.145  1.00  0.37           C
ATOM    425  O   CYS A  30      -3.069  -2.352  -5.318  1.00  0.43           O
ATOM    426  CB  CYS A  30      -1.186  -4.929  -5.828  1.00  0.55           C
ATOM    427  SG  CYS A  30       0.474  -5.530  -6.279  1.00  1.01           S
ATOM      0  H   CYS A  30      -0.619  -2.229  -5.733  1.00  0.34           H   new
ATOM      0  HA  CYS A  30      -1.810  -4.097  -7.707  1.00  0.40           H   new
ATOM      0  HB2 CYS A  30      -1.177  -4.625  -4.781  1.00  0.55           H   new
ATOM      0  HB3 CYS A  30      -1.894  -5.753  -5.915  1.00  0.55           H   new
ATOM    432  N   GLY A  31      -4.113  -3.856  -6.615  1.00  0.39           N
ATOM    433  CA  GLY A  31      -5.432  -3.449  -6.169  1.00  0.40           C
ATOM    434  C   GLY A  31      -5.811  -4.116  -4.866  1.00  0.40           C
ATOM    435  O   GLY A  31      -5.765  -5.342  -4.759  1.00  0.49           O
ATOM      0  H   GLY A  31      -4.106  -4.614  -7.298  1.00  0.39           H   new
ATOM      0  HA2 GLY A  31      -5.456  -2.366  -6.044  1.00  0.40           H   new
ATOM      0  HA3 GLY A  31      -6.168  -3.699  -6.933  1.00  0.40           H   new
ATOM    439  N   TYR A  32      -6.181  -3.316  -3.874  1.00  0.38           N
ATOM    440  CA  TYR A  32      -6.490  -3.844  -2.554  1.00  0.42           C
ATOM    441  C   TYR A  32      -7.879  -3.387  -2.107  1.00  0.42           C
ATOM    442  O   TYR A  32      -8.450  -2.451  -2.675  1.00  0.41           O
ATOM    443  CB  TYR A  32      -5.429  -3.385  -1.549  1.00  0.47           C
ATOM    444  CG  TYR A  32      -4.992  -4.462  -0.584  1.00  0.63           C
ATOM    445  CD1 TYR A  32      -5.724  -4.723   0.567  1.00  0.97           C
ATOM    446  CD2 TYR A  32      -3.853  -5.224  -0.822  1.00  1.00           C
ATOM    447  CE1 TYR A  32      -5.335  -5.706   1.455  1.00  1.30           C
ATOM    448  CE2 TYR A  32      -3.459  -6.211   0.063  1.00  1.29           C
ATOM    449  CZ  TYR A  32      -4.170  -6.448   1.184  1.00  1.34           C
ATOM    450  OH  TYR A  32      -3.813  -7.429   2.085  1.00  1.75           O
ATOM      0  H   TYR A  32      -6.274  -2.304  -3.959  1.00  0.38           H   new
ATOM      0  HA  TYR A  32      -6.486  -4.933  -2.601  1.00  0.42           H   new
ATOM      0  HB2 TYR A  32      -4.557  -3.025  -2.095  1.00  0.47           H   new
ATOM      0  HB3 TYR A  32      -5.821  -2.541  -0.982  1.00  0.47           H   new
ATOM      0  HD1 TYR A  32      -6.614  -4.146   0.771  1.00  0.97           H   new
ATOM      0  HD2 TYR A  32      -3.268  -5.042  -1.711  1.00  1.00           H   new
ATOM      0  HE1 TYR A  32      -5.916  -5.903   2.344  1.00  1.30           H   new
ATOM      0  HE2 TYR A  32      -2.575  -6.796  -0.145  1.00  1.29           H   new
ATOM      0  HH  TYR A  32      -2.991  -7.868   1.782  1.00  1.75           H   new
ATOM    460  N   PHE A  33      -8.421  -4.066  -1.103  1.00  0.48           N
ATOM    461  CA  PHE A  33      -9.734  -3.734  -0.557  1.00  0.54           C
ATOM    462  C   PHE A  33      -9.801  -2.281  -0.106  1.00  0.56           C
ATOM    463  O   PHE A  33      -9.217  -1.915   0.916  1.00  1.24           O
ATOM    464  CB  PHE A  33     -10.069  -4.648   0.624  1.00  0.64           C
ATOM    465  CG  PHE A  33     -10.219  -6.093   0.247  1.00  1.00           C
ATOM    466  CD1 PHE A  33     -11.256  -6.505  -0.571  1.00  1.18           C
ATOM    467  CD2 PHE A  33      -9.322  -7.039   0.715  1.00  1.38           C
ATOM    468  CE1 PHE A  33     -11.395  -7.835  -0.918  1.00  1.63           C
ATOM    469  CE2 PHE A  33      -9.457  -8.371   0.372  1.00  1.86           C
ATOM    470  CZ  PHE A  33     -10.495  -8.768  -0.446  1.00  1.96           C
ATOM      0  H   PHE A  33      -7.967  -4.857  -0.646  1.00  0.48           H   new
ATOM      0  HA  PHE A  33     -10.464  -3.883  -1.353  1.00  0.54           H   new
ATOM      0  HB2 PHE A  33      -9.285  -4.558   1.375  1.00  0.64           H   new
ATOM      0  HB3 PHE A  33     -10.994  -4.305   1.086  1.00  0.64           H   new
ATOM      0  HD1 PHE A  33     -11.964  -5.779  -0.942  1.00  1.18           H   new
ATOM      0  HD2 PHE A  33      -8.508  -6.732   1.355  1.00  1.38           H   new
ATOM      0  HE1 PHE A  33     -12.208  -8.144  -1.558  1.00  1.63           H   new
ATOM      0  HE2 PHE A  33      -8.752  -9.100   0.743  1.00  1.86           H   new
ATOM      0  HZ  PHE A  33     -10.603  -9.808  -0.716  1.00  1.96           H   new
ATOM    480  N   LEU A  34     -10.511  -1.469  -0.888  1.00  0.56           N
ATOM    481  CA  LEU A  34     -10.723  -0.049  -0.589  1.00  0.53           C
ATOM    482  C   LEU A  34      -9.414   0.741  -0.593  1.00  0.43           C
ATOM    483  O   LEU A  34      -9.340   1.837  -0.034  1.00  0.49           O
ATOM    484  CB  LEU A  34     -11.433   0.137   0.762  1.00  0.63           C
ATOM    485  CG  LEU A  34     -12.922  -0.232   0.801  1.00  0.92           C
ATOM    486  CD1 LEU A  34     -13.127  -1.737   0.748  1.00  1.75           C
ATOM    487  CD2 LEU A  34     -13.574   0.342   2.046  1.00  1.57           C
ATOM      0  H   LEU A  34     -10.958  -1.777  -1.751  1.00  0.56           H   new
ATOM      0  HA  LEU A  34     -11.360   0.341  -1.383  1.00  0.53           H   new
ATOM      0  HB2 LEU A  34     -10.912  -0.462   1.508  1.00  0.63           H   new
ATOM      0  HB3 LEU A  34     -11.330   1.180   1.062  1.00  0.63           H   new
ATOM      0  HG  LEU A  34     -13.394   0.200  -0.082  1.00  0.92           H   new
ATOM      0 HD11 LEU A  34     -14.193  -1.960   0.778  1.00  1.75           H   new
ATOM      0 HD12 LEU A  34     -12.699  -2.130  -0.174  1.00  1.75           H   new
ATOM      0 HD13 LEU A  34     -12.635  -2.202   1.603  1.00  1.75           H   new
ATOM      0 HD21 LEU A  34     -14.630   0.073   2.061  1.00  1.57           H   new
ATOM      0 HD22 LEU A  34     -13.084  -0.061   2.932  1.00  1.57           H   new
ATOM      0 HD23 LEU A  34     -13.477   1.428   2.040  1.00  1.57           H   new
ATOM    499  N   GLY A  35      -8.388   0.205  -1.243  1.00  0.34           N
ATOM    500  CA  GLY A  35      -7.105   0.878  -1.265  1.00  0.34           C
ATOM    501  C   GLY A  35      -6.193   0.367  -2.356  1.00  0.28           C
ATOM    502  O   GLY A  35      -6.528  -0.579  -3.066  1.00  0.33           O
ATOM      0  H   GLY A  35      -8.421  -0.678  -1.752  1.00  0.34           H   new
ATOM      0  HA2 GLY A  35      -7.264   1.948  -1.402  1.00  0.34           H   new
ATOM      0  HA3 GLY A  35      -6.616   0.749  -0.299  1.00  0.34           H   new
ATOM    506  N   ILE A  36      -5.041   0.994  -2.491  1.00  0.24           N
ATOM    507  CA  ILE A  36      -4.067   0.585  -3.486  1.00  0.23           C
ATOM    508  C   ILE A  36      -2.734   0.248  -2.816  1.00  0.22           C
ATOM    509  O   ILE A  36      -2.259   0.972  -1.942  1.00  0.26           O
ATOM    510  CB  ILE A  36      -3.879   1.680  -4.565  1.00  0.27           C
ATOM    511  CG1 ILE A  36      -2.926   1.200  -5.662  1.00  0.29           C
ATOM    512  CG2 ILE A  36      -3.377   2.975  -3.944  1.00  0.31           C
ATOM    513  CD1 ILE A  36      -2.780   2.182  -6.803  1.00  0.37           C
ATOM      0  H   ILE A  36      -4.755   1.791  -1.923  1.00  0.24           H   new
ATOM      0  HA  ILE A  36      -4.442  -0.310  -3.983  1.00  0.23           H   new
ATOM      0  HB  ILE A  36      -4.850   1.878  -5.018  1.00  0.27           H   new
ATOM      0 HG12 ILE A  36      -1.945   1.014  -5.225  1.00  0.29           H   new
ATOM      0 HG13 ILE A  36      -3.286   0.249  -6.055  1.00  0.29           H   new
ATOM      0 HG21 ILE A  36      -3.253   3.728  -4.723  1.00  0.31           H   new
ATOM      0 HG22 ILE A  36      -4.099   3.329  -3.208  1.00  0.31           H   new
ATOM      0 HG23 ILE A  36      -2.419   2.797  -3.456  1.00  0.31           H   new
ATOM      0 HD11 ILE A  36      -2.091   1.778  -7.545  1.00  0.37           H   new
ATOM      0 HD12 ILE A  36      -3.753   2.350  -7.265  1.00  0.37           H   new
ATOM      0 HD13 ILE A  36      -2.391   3.127  -6.423  1.00  0.37           H   new
ATOM    525  N   CYS A  37      -2.152  -0.875  -3.201  1.00  0.24           N
ATOM    526  CA  CYS A  37      -0.879  -1.314  -2.649  1.00  0.27           C
ATOM    527  C   CYS A  37       0.261  -0.861  -3.555  1.00  0.24           C
ATOM    528  O   CYS A  37       0.577  -1.517  -4.544  1.00  0.33           O
ATOM    529  CB  CYS A  37      -0.871  -2.839  -2.495  1.00  0.37           C
ATOM    530  SG  CYS A  37       0.658  -3.516  -1.769  1.00  1.11           S
ATOM      0  H   CYS A  37      -2.544  -1.505  -3.900  1.00  0.24           H   new
ATOM      0  HA  CYS A  37      -0.741  -0.867  -1.664  1.00  0.27           H   new
ATOM      0  HB2 CYS A  37      -1.716  -3.133  -1.872  1.00  0.37           H   new
ATOM      0  HB3 CYS A  37      -1.025  -3.292  -3.475  1.00  0.37           H   new
ATOM    535  N   CYS A  38       0.861   0.269  -3.224  1.00  0.23           N
ATOM    536  CA  CYS A  38       1.911   0.846  -4.051  1.00  0.25           C
ATOM    537  C   CYS A  38       3.285   0.412  -3.559  1.00  0.20           C
ATOM    538  O   CYS A  38       3.599   0.551  -2.380  1.00  0.21           O
ATOM    539  CB  CYS A  38       1.810   2.370  -4.040  1.00  0.35           C
ATOM    540  SG  CYS A  38       0.191   2.998  -4.588  1.00  1.14           S
ATOM      0  H   CYS A  38       0.640   0.808  -2.387  1.00  0.23           H   new
ATOM      0  HA  CYS A  38       1.780   0.487  -5.072  1.00  0.25           H   new
ATOM      0  HB2 CYS A  38       2.008   2.731  -3.031  1.00  0.35           H   new
ATOM      0  HB3 CYS A  38       2.587   2.782  -4.684  1.00  0.35           H   new
ATOM    545  N   TYR A  39       4.099  -0.107  -4.463  1.00  0.21           N
ATOM    546  CA  TYR A  39       5.427  -0.573  -4.103  1.00  0.21           C
ATOM    547  C   TYR A  39       6.480   0.015  -5.041  1.00  0.25           C
ATOM    548  O   TYR A  39       6.154   0.461  -6.143  1.00  0.29           O
ATOM    549  CB  TYR A  39       5.479  -2.109  -4.114  1.00  0.24           C
ATOM    550  CG  TYR A  39       5.184  -2.762  -5.447  1.00  0.28           C
ATOM    551  CD1 TYR A  39       6.174  -2.889  -6.414  1.00  0.36           C
ATOM    552  CD2 TYR A  39       3.929  -3.286  -5.722  1.00  0.33           C
ATOM    553  CE1 TYR A  39       5.921  -3.513  -7.618  1.00  0.45           C
ATOM    554  CE2 TYR A  39       3.669  -3.922  -6.922  1.00  0.41           C
ATOM    555  CZ  TYR A  39       4.670  -4.030  -7.866  1.00  0.46           C
ATOM    556  OH  TYR A  39       4.425  -4.677  -9.054  1.00  0.57           O
ATOM      0  H   TYR A  39       3.864  -0.216  -5.450  1.00  0.21           H   new
ATOM      0  HA  TYR A  39       5.649  -0.231  -3.092  1.00  0.21           H   new
ATOM      0  HB2 TYR A  39       6.470  -2.424  -3.786  1.00  0.24           H   new
ATOM      0  HB3 TYR A  39       4.766  -2.484  -3.380  1.00  0.24           H   new
ATOM      0  HD1 TYR A  39       7.159  -2.492  -6.219  1.00  0.36           H   new
ATOM      0  HD2 TYR A  39       3.143  -3.196  -4.987  1.00  0.33           H   new
ATOM      0  HE1 TYR A  39       6.700  -3.595  -8.361  1.00  0.45           H   new
ATOM      0  HE2 TYR A  39       2.689  -4.331  -7.119  1.00  0.41           H   new
ATOM      0  HH  TYR A  39       3.495  -4.984  -9.074  1.00  0.57           H   new
ATOM    566  N   PRO A  40       7.757   0.034  -4.620  1.00  0.28           N
ATOM    567  CA  PRO A  40       8.184  -0.441  -3.306  1.00  0.27           C
ATOM    568  C   PRO A  40       8.196   0.662  -2.255  1.00  0.31           C
ATOM    569  O   PRO A  40       8.162   1.851  -2.585  1.00  0.48           O
ATOM    570  CB  PRO A  40       9.605  -0.920  -3.585  1.00  0.45           C
ATOM    571  CG  PRO A  40      10.111  -0.027  -4.674  1.00  0.46           C
ATOM    572  CD  PRO A  40       8.906   0.511  -5.413  1.00  0.36           C
ATOM      0  HA  PRO A  40       7.515  -1.200  -2.901  1.00  0.27           H   new
ATOM      0  HB2 PRO A  40      10.228  -0.846  -2.694  1.00  0.45           H   new
ATOM      0  HB3 PRO A  40       9.615  -1.965  -3.895  1.00  0.45           H   new
ATOM      0  HG2 PRO A  40      10.702   0.789  -4.258  1.00  0.46           H   new
ATOM      0  HG3 PRO A  40      10.762  -0.579  -5.352  1.00  0.46           H   new
ATOM      0  HD2 PRO A  40       8.927   1.599  -5.471  1.00  0.36           H   new
ATOM      0  HD3 PRO A  40       8.867   0.138  -6.437  1.00  0.36           H   new
ATOM    580  N   VAL A  41       8.219   0.262  -0.988  1.00  0.32           N
ATOM    581  CA  VAL A  41       8.363   1.214   0.110  1.00  0.50           C
ATOM    582  C   VAL A  41       9.791   1.744   0.149  1.00  0.62           C
ATOM    583  O   VAL A  41      10.673   1.142   0.770  1.00  0.74           O
ATOM    584  CB  VAL A  41       8.018   0.585   1.479  1.00  0.68           C
ATOM    585  CG1 VAL A  41       8.129   1.617   2.595  1.00  1.31           C
ATOM    586  CG2 VAL A  41       6.626  -0.015   1.457  1.00  1.13           C
ATOM      0  H   VAL A  41       8.140  -0.712  -0.695  1.00  0.32           H   new
ATOM      0  HA  VAL A  41       7.660   2.027  -0.072  1.00  0.50           H   new
ATOM      0  HB  VAL A  41       8.737  -0.211   1.673  1.00  0.68           H   new
ATOM      0 HG11 VAL A  41       7.881   1.150   3.548  1.00  1.31           H   new
ATOM      0 HG12 VAL A  41       9.148   2.003   2.634  1.00  1.31           H   new
ATOM      0 HG13 VAL A  41       7.437   2.437   2.402  1.00  1.31           H   new
ATOM      0 HG21 VAL A  41       6.403  -0.452   2.430  1.00  1.13           H   new
ATOM      0 HG22 VAL A  41       5.897   0.764   1.234  1.00  1.13           H   new
ATOM      0 HG23 VAL A  41       6.575  -0.789   0.691  1.00  1.13           H   new