USER  MOD reduce.3.24.130724 H: found=0, std=0, add=204, rem=0, adj=7
USER  MOD reduce.3.24.130724 removed 204 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 NoAdj-H: A   1 CYS H1  : A   1 CYS N   : A  30 PRO C   :(NH2R)
USER  MOD NoAdj-H: A   1 CYS H2  : A   1 CYS N   : A  30 PRO C   :(NH2R)
USER  MOD Single : A   1 CYS N   :NH3+    157:sc=    1.07   (180deg=0.583)
USER  MOD Single : A   4 SER OG  :   rot  -51:sc=  -0.289!
USER  MOD Single : A  11 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  13 THR OG1 :   rot  -77:sc=    1.12
USER  MOD Single : A  19 SER OG  :   rot  180:sc=0.000248
USER  MOD Single : A  21 SER OG  :   rot -130:sc=  -0.286
USER  MOD Single : A  22 ASN     :      amide:sc=-0.00457  K(o=-0.0046,f=-1.4!)
USER  MOD Single : A  23 LYS NZ  :NH3+    180:sc=    1.26   (180deg=1.26)
USER  MOD Single : A  26 TYR OH  :   rot  180:sc=-0.000435
USER  MOD Single : A  27 ASN     :      amide:sc=   -0.13  K(o=-0.13,f=-0.82)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   CYS A   1       4.319   1.559  -4.383  1.00  0.00           N
ATOM      2  CA  CYS A   1       4.398   0.323  -3.620  1.00  0.00           C
ATOM      3  C   CYS A   1       3.435  -0.712  -4.196  1.00  0.00           C
ATOM      4  O   CYS A   1       2.297  -0.389  -4.541  1.00  0.00           O
ATOM      5  CB  CYS A   1       4.086   0.593  -2.146  1.00  0.00           C
ATOM      6  SG  CYS A   1       4.755   2.177  -1.533  1.00  0.00           S
ATOM      0  H3  CYS A   1       4.648   2.351  -3.795  1.00  0.00           H   new
ATOM      0  HA  CYS A   1       5.411  -0.074  -3.690  1.00  0.00           H   new
ATOM      0  HB2 CYS A   1       3.005   0.586  -2.005  1.00  0.00           H   new
ATOM      0  HB3 CYS A   1       4.491  -0.220  -1.543  1.00  0.00           H   new
ATOM     11  N   ALA A   2       3.903  -1.948  -4.317  1.00  0.00           N
ATOM     12  CA  ALA A   2       3.097  -3.030  -4.875  1.00  0.00           C
ATOM     13  C   ALA A   2       2.079  -3.564  -3.866  1.00  0.00           C
ATOM     14  O   ALA A   2       2.056  -4.756  -3.564  1.00  0.00           O
ATOM     15  CB  ALA A   2       4.001  -4.152  -5.364  1.00  0.00           C
ATOM      0  H   ALA A   2       4.842  -2.228  -4.035  1.00  0.00           H   new
ATOM      0  HA  ALA A   2       2.535  -2.626  -5.717  1.00  0.00           H   new
ATOM      0  HB1 ALA A   2       3.392  -4.955  -5.779  1.00  0.00           H   new
ATOM      0  HB2 ALA A   2       4.671  -3.770  -6.134  1.00  0.00           H   new
ATOM      0  HB3 ALA A   2       4.588  -4.536  -4.530  1.00  0.00           H   new
ATOM     21  N   GLU A   3       1.231  -2.678  -3.365  1.00  0.00           N
ATOM     22  CA  GLU A   3       0.201  -3.052  -2.409  1.00  0.00           C
ATOM     23  C   GLU A   3      -0.947  -2.054  -2.459  1.00  0.00           C
ATOM     24  O   GLU A   3      -0.798  -0.891  -2.078  1.00  0.00           O
ATOM     25  CB  GLU A   3       0.772  -3.132  -0.992  1.00  0.00           C
ATOM     26  CG  GLU A   3       0.541  -4.479  -0.319  1.00  0.00           C
ATOM     27  CD  GLU A   3       1.331  -4.631   0.963  1.00  0.00           C
ATOM     28  OE1 GLU A   3       2.401  -4.008   1.079  1.00  0.00           O
ATOM     29  OE2 GLU A   3       0.880  -5.360   1.870  1.00  0.00           O
ATOM      0  H   GLU A   3       1.237  -1.687  -3.608  1.00  0.00           H   new
ATOM      0  HA  GLU A   3      -0.174  -4.039  -2.680  1.00  0.00           H   new
ATOM      0  HB2 GLU A   3       1.843  -2.932  -1.028  1.00  0.00           H   new
ATOM      0  HB3 GLU A   3       0.322  -2.348  -0.383  1.00  0.00           H   new
ATOM      0  HG2 GLU A   3      -0.521  -4.596  -0.103  1.00  0.00           H   new
ATOM      0  HG3 GLU A   3       0.816  -5.277  -1.008  1.00  0.00           H   new
ATOM     36  N   SER A   4      -2.089  -2.512  -2.939  1.00  0.00           N
ATOM     37  CA  SER A   4      -3.263  -1.669  -3.046  1.00  0.00           C
ATOM     38  C   SER A   4      -4.304  -2.118  -2.026  1.00  0.00           C
ATOM     39  O   SER A   4      -4.719  -3.278  -2.019  1.00  0.00           O
ATOM     40  CB  SER A   4      -3.828  -1.736  -4.470  1.00  0.00           C
ATOM     41  OG  SER A   4      -4.432  -0.514  -4.855  1.00  0.00           O
ATOM      0  H   SER A   4      -2.227  -3.469  -3.262  1.00  0.00           H   new
ATOM      0  HA  SER A   4      -2.992  -0.634  -2.837  1.00  0.00           H   new
ATOM      0  HB2 SER A   4      -3.027  -1.981  -5.168  1.00  0.00           H   new
ATOM      0  HB3 SER A   4      -4.562  -2.540  -4.532  1.00  0.00           H   new
ATOM      0  HG  SER A   4      -5.070  -0.233  -4.166  1.00  0.00           H   new
ATOM     47  N   CYS A   5      -4.713  -1.204  -1.160  1.00  0.00           N
ATOM     48  CA  CYS A   5      -5.689  -1.506  -0.123  1.00  0.00           C
ATOM     49  C   CYS A   5      -7.114  -1.303  -0.627  1.00  0.00           C
ATOM     50  O   CYS A   5      -7.930  -0.637   0.017  1.00  0.00           O
ATOM     51  CB  CYS A   5      -5.436  -0.619   1.096  1.00  0.00           C
ATOM     52  SG  CYS A   5      -4.416   0.848   0.731  1.00  0.00           S
ATOM      0  H   CYS A   5      -4.381  -0.239  -1.155  1.00  0.00           H   new
ATOM      0  HA  CYS A   5      -5.577  -2.554   0.156  1.00  0.00           H   new
ATOM      0  HB2 CYS A   5      -6.393  -0.294   1.503  1.00  0.00           H   new
ATOM      0  HB3 CYS A   5      -4.945  -1.210   1.869  1.00  0.00           H   new
ATOM     57  N   VAL A   6      -7.412  -1.887  -1.780  1.00  0.00           N
ATOM     58  CA  VAL A   6      -8.738  -1.787  -2.370  1.00  0.00           C
ATOM     59  C   VAL A   6      -9.748  -2.483  -1.472  1.00  0.00           C
ATOM     60  O   VAL A   6     -10.794  -1.923  -1.138  1.00  0.00           O
ATOM     61  CB  VAL A   6      -8.797  -2.410  -3.782  1.00  0.00           C
ATOM     62  CG1 VAL A   6      -9.944  -1.811  -4.582  1.00  0.00           C
ATOM     63  CG2 VAL A   6      -7.479  -2.220  -4.516  1.00  0.00           C
ATOM      0  H   VAL A   6      -6.749  -2.437  -2.326  1.00  0.00           H   new
ATOM      0  HA  VAL A   6      -8.976  -0.727  -2.463  1.00  0.00           H   new
ATOM      0  HB  VAL A   6      -8.972  -3.480  -3.672  1.00  0.00           H   new
ATOM      0 HG11 VAL A   6      -9.970  -2.262  -5.574  1.00  0.00           H   new
ATOM      0 HG12 VAL A   6     -10.886  -2.007  -4.070  1.00  0.00           H   new
ATOM      0 HG13 VAL A   6      -9.799  -0.735  -4.676  1.00  0.00           H   new
ATOM      0 HG21 VAL A   6      -7.547  -2.668  -5.508  1.00  0.00           H   new
ATOM      0 HG22 VAL A   6      -7.266  -1.155  -4.612  1.00  0.00           H   new
ATOM      0 HG23 VAL A   6      -6.678  -2.701  -3.955  1.00  0.00           H   new
ATOM     73  N   TRP A   7      -9.405  -3.696  -1.064  1.00  0.00           N
ATOM     74  CA  TRP A   7     -10.249  -4.485  -0.179  1.00  0.00           C
ATOM     75  C   TRP A   7      -9.476  -4.829   1.089  1.00  0.00           C
ATOM     76  O   TRP A   7      -9.930  -4.566   2.200  1.00  0.00           O
ATOM     77  CB  TRP A   7     -10.724  -5.776  -0.864  1.00  0.00           C
ATOM     78  CG  TRP A   7     -10.397  -5.854  -2.327  1.00  0.00           C
ATOM     79  CD1 TRP A   7      -9.267  -6.376  -2.889  1.00  0.00           C
ATOM     80  CD2 TRP A   7     -11.214  -5.402  -3.413  1.00  0.00           C
ATOM     81  NE1 TRP A   7      -9.328  -6.270  -4.257  1.00  0.00           N
ATOM     82  CE2 TRP A   7     -10.516  -5.678  -4.604  1.00  0.00           C
ATOM     83  CE3 TRP A   7     -12.469  -4.791  -3.495  1.00  0.00           C
ATOM     84  CZ2 TRP A   7     -11.030  -5.363  -5.859  1.00  0.00           C
ATOM     85  CZ3 TRP A   7     -12.979  -4.479  -4.741  1.00  0.00           C
ATOM     86  CH2 TRP A   7     -12.260  -4.765  -5.909  1.00  0.00           C
ATOM      0  H   TRP A   7      -8.538  -4.159  -1.336  1.00  0.00           H   new
ATOM      0  HA  TRP A   7     -11.129  -3.893   0.072  1.00  0.00           H   new
ATOM      0  HB2 TRP A   7     -10.274  -6.630  -0.357  1.00  0.00           H   new
ATOM      0  HB3 TRP A   7     -11.803  -5.864  -0.739  1.00  0.00           H   new
ATOM      0  HD1 TRP A   7      -8.445  -6.809  -2.338  1.00  0.00           H   new
ATOM      0  HE1 TRP A   7      -8.608  -6.581  -4.909  1.00  0.00           H   new
ATOM      0  HE3 TRP A   7     -13.030  -4.567  -2.600  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   7     -10.478  -5.583  -6.761  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   7     -13.948  -4.007  -4.816  1.00  0.00           H   new
ATOM      0  HH2 TRP A   7     -12.685  -4.508  -6.868  1.00  0.00           H   new
ATOM     97  N   ILE A   8      -8.297  -5.406   0.904  1.00  0.00           N
ATOM     98  CA  ILE A   8      -7.440  -5.782   2.017  1.00  0.00           C
ATOM     99  C   ILE A   8      -6.336  -4.741   2.211  1.00  0.00           C
ATOM    100  O   ILE A   8      -5.683  -4.333   1.249  1.00  0.00           O
ATOM    101  CB  ILE A   8      -6.822  -7.189   1.793  1.00  0.00           C
ATOM    102  CG1 ILE A   8      -5.750  -7.496   2.845  1.00  0.00           C
ATOM    103  CG2 ILE A   8      -6.239  -7.309   0.390  1.00  0.00           C
ATOM    104  CD1 ILE A   8      -6.156  -8.574   3.824  1.00  0.00           C
ATOM      0  H   ILE A   8      -7.911  -5.625  -0.014  1.00  0.00           H   new
ATOM      0  HA  ILE A   8      -8.051  -5.820   2.919  1.00  0.00           H   new
ATOM      0  HB  ILE A   8      -7.622  -7.922   1.898  1.00  0.00           H   new
ATOM      0 HG12 ILE A   8      -4.834  -7.802   2.340  1.00  0.00           H   new
ATOM      0 HG13 ILE A   8      -5.521  -6.584   3.396  1.00  0.00           H   new
ATOM      0 HG21 ILE A   8      -5.812  -8.303   0.257  1.00  0.00           H   new
ATOM      0 HG22 ILE A   8      -7.027  -7.151  -0.346  1.00  0.00           H   new
ATOM      0 HG23 ILE A   8      -5.460  -6.559   0.254  1.00  0.00           H   new
ATOM      0 HD11 ILE A   8      -5.350  -8.739   4.539  1.00  0.00           H   new
ATOM      0 HD12 ILE A   8      -7.055  -8.262   4.356  1.00  0.00           H   new
ATOM      0 HD13 ILE A   8      -6.357  -9.499   3.284  1.00  0.00           H   new
ATOM    116  N   PRO A   9      -6.130  -4.279   3.455  1.00  0.00           N
ATOM    117  CA  PRO A   9      -5.112  -3.273   3.772  1.00  0.00           C
ATOM    118  C   PRO A   9      -3.693  -3.811   3.601  1.00  0.00           C
ATOM    119  O   PRO A   9      -3.442  -5.002   3.789  1.00  0.00           O
ATOM    120  CB  PRO A   9      -5.374  -2.929   5.246  1.00  0.00           C
ATOM    121  CG  PRO A   9      -6.716  -3.502   5.557  1.00  0.00           C
ATOM    122  CD  PRO A   9      -6.880  -4.685   4.650  1.00  0.00           C
ATOM      0  HA  PRO A   9      -5.180  -2.413   3.106  1.00  0.00           H   new
ATOM      0  HB2 PRO A   9      -4.606  -3.356   5.891  1.00  0.00           H   new
ATOM      0  HB3 PRO A   9      -5.361  -1.851   5.406  1.00  0.00           H   new
ATOM      0  HG2 PRO A   9      -6.780  -3.801   6.603  1.00  0.00           H   new
ATOM      0  HG3 PRO A   9      -7.503  -2.767   5.387  1.00  0.00           H   new
ATOM      0  HD2 PRO A   9      -6.475  -5.595   5.093  1.00  0.00           H   new
ATOM      0  HD3 PRO A   9      -7.928  -4.880   4.424  1.00  0.00           H   new
ATOM    130  N   CYS A  10      -2.774  -2.925   3.245  1.00  0.00           N
ATOM    131  CA  CYS A  10      -1.381  -3.298   3.047  1.00  0.00           C
ATOM    132  C   CYS A  10      -0.736  -3.701   4.366  1.00  0.00           C
ATOM    133  O   CYS A  10      -1.036  -3.130   5.415  1.00  0.00           O
ATOM    134  CB  CYS A  10      -0.613  -2.132   2.430  1.00  0.00           C
ATOM    135  SG  CYS A  10      -1.639  -1.059   1.377  1.00  0.00           S
ATOM      0  H   CYS A  10      -2.970  -1.937   3.087  1.00  0.00           H   new
ATOM      0  HA  CYS A  10      -1.347  -4.152   2.371  1.00  0.00           H   new
ATOM      0  HB2 CYS A  10      -0.176  -1.533   3.229  1.00  0.00           H   new
ATOM      0  HB3 CYS A  10       0.213  -2.525   1.838  1.00  0.00           H   new
ATOM    140  N   THR A  11       0.146  -4.684   4.308  1.00  0.00           N
ATOM    141  CA  THR A  11       0.832  -5.164   5.495  1.00  0.00           C
ATOM    142  C   THR A  11       2.331  -5.337   5.243  1.00  0.00           C
ATOM    143  O   THR A  11       3.133  -5.294   6.174  1.00  0.00           O
ATOM    144  CB  THR A  11       0.240  -6.507   5.972  1.00  0.00           C
ATOM    145  OG1 THR A  11      -1.147  -6.587   5.615  1.00  0.00           O
ATOM    146  CG2 THR A  11       0.386  -6.660   7.479  1.00  0.00           C
ATOM      0  H   THR A  11       0.405  -5.167   3.448  1.00  0.00           H   new
ATOM      0  HA  THR A  11       0.689  -4.411   6.270  1.00  0.00           H   new
ATOM      0  HB  THR A  11       0.790  -7.312   5.484  1.00  0.00           H   new
ATOM      0  HG1 THR A  11      -1.514  -7.443   5.920  1.00  0.00           H   new
ATOM      0 HG21 THR A  11      -0.039  -7.614   7.791  1.00  0.00           H   new
ATOM      0 HG22 THR A  11       1.442  -6.628   7.747  1.00  0.00           H   new
ATOM      0 HG23 THR A  11      -0.141  -5.848   7.980  1.00  0.00           H   new
ATOM    154  N   VAL A  12       2.705  -5.536   3.983  1.00  0.00           N
ATOM    155  CA  VAL A  12       4.107  -5.727   3.627  1.00  0.00           C
ATOM    156  C   VAL A  12       4.851  -4.397   3.536  1.00  0.00           C
ATOM    157  O   VAL A  12       5.862  -4.192   4.205  1.00  0.00           O
ATOM    158  CB  VAL A  12       4.253  -6.484   2.289  1.00  0.00           C
ATOM    159  CG1 VAL A  12       5.710  -6.836   2.023  1.00  0.00           C
ATOM    160  CG2 VAL A  12       3.392  -7.740   2.286  1.00  0.00           C
ATOM      0  H   VAL A  12       2.060  -5.569   3.194  1.00  0.00           H   new
ATOM      0  HA  VAL A  12       4.550  -6.325   4.424  1.00  0.00           H   new
ATOM      0  HB  VAL A  12       3.909  -5.828   1.489  1.00  0.00           H   new
ATOM      0 HG11 VAL A  12       5.788  -7.369   1.075  1.00  0.00           H   new
ATOM      0 HG12 VAL A  12       6.302  -5.922   1.976  1.00  0.00           H   new
ATOM      0 HG13 VAL A  12       6.084  -7.470   2.827  1.00  0.00           H   new
ATOM      0 HG21 VAL A  12       3.509  -8.259   1.335  1.00  0.00           H   new
ATOM      0 HG22 VAL A  12       3.704  -8.397   3.098  1.00  0.00           H   new
ATOM      0 HG23 VAL A  12       2.346  -7.465   2.423  1.00  0.00           H   new
ATOM    170  N   THR A  13       4.357  -3.499   2.698  1.00  0.00           N
ATOM    171  CA  THR A  13       4.994  -2.204   2.515  1.00  0.00           C
ATOM    172  C   THR A  13       4.471  -1.185   3.519  1.00  0.00           C
ATOM    173  O   THR A  13       4.972  -0.063   3.595  1.00  0.00           O
ATOM    174  CB  THR A  13       4.780  -1.669   1.084  1.00  0.00           C
ATOM    175  OG1 THR A  13       3.384  -1.655   0.761  1.00  0.00           O
ATOM    176  CG2 THR A  13       5.530  -2.519   0.068  1.00  0.00           C
ATOM      0  H   THR A  13       3.519  -3.642   2.135  1.00  0.00           H   new
ATOM      0  HA  THR A  13       6.061  -2.350   2.681  1.00  0.00           H   new
ATOM      0  HB  THR A  13       5.169  -0.652   1.044  1.00  0.00           H   new
ATOM      0  HG1 THR A  13       3.087  -2.566   0.554  1.00  0.00           H   new
ATOM      0 HG21 THR A  13       5.363  -2.121  -0.933  1.00  0.00           H   new
ATOM      0 HG22 THR A  13       6.596  -2.499   0.293  1.00  0.00           H   new
ATOM      0 HG23 THR A  13       5.168  -3.546   0.115  1.00  0.00           H   new
ATOM    184  N   ALA A  14       3.472  -1.586   4.296  1.00  0.00           N
ATOM    185  CA  ALA A  14       2.887  -0.711   5.305  1.00  0.00           C
ATOM    186  C   ALA A  14       3.928  -0.324   6.349  1.00  0.00           C
ATOM    187  O   ALA A  14       3.985   0.821   6.792  1.00  0.00           O
ATOM    188  CB  ALA A  14       1.698  -1.386   5.969  1.00  0.00           C
ATOM      0  H   ALA A  14       3.049  -2.513   4.247  1.00  0.00           H   new
ATOM      0  HA  ALA A  14       2.540   0.197   4.811  1.00  0.00           H   new
ATOM      0  HB1 ALA A  14       1.273  -0.719   6.719  1.00  0.00           H   new
ATOM      0  HB2 ALA A  14       0.943  -1.614   5.217  1.00  0.00           H   new
ATOM      0  HB3 ALA A  14       2.024  -2.309   6.447  1.00  0.00           H   new
ATOM    194  N   LEU A  15       4.762  -1.288   6.722  1.00  0.00           N
ATOM    195  CA  LEU A  15       5.814  -1.053   7.705  1.00  0.00           C
ATOM    196  C   LEU A  15       6.999  -0.331   7.069  1.00  0.00           C
ATOM    197  O   LEU A  15       7.955   0.032   7.748  1.00  0.00           O
ATOM    198  CB  LEU A  15       6.276  -2.378   8.317  1.00  0.00           C
ATOM    199  CG  LEU A  15       5.701  -2.688   9.701  1.00  0.00           C
ATOM    200  CD1 LEU A  15       6.154  -4.062  10.169  1.00  0.00           C
ATOM    201  CD2 LEU A  15       6.114  -1.621  10.704  1.00  0.00           C
ATOM      0  H   LEU A  15       4.730  -2.240   6.358  1.00  0.00           H   new
ATOM      0  HA  LEU A  15       5.406  -0.421   8.494  1.00  0.00           H   new
ATOM      0  HB2 LEU A  15       6.006  -3.187   7.639  1.00  0.00           H   new
ATOM      0  HB3 LEU A  15       7.364  -2.369   8.386  1.00  0.00           H   new
ATOM      0  HG  LEU A  15       4.613  -2.688   9.629  1.00  0.00           H   new
ATOM      0 HD11 LEU A  15       5.736  -4.267  11.155  1.00  0.00           H   new
ATOM      0 HD12 LEU A  15       5.809  -4.819   9.464  1.00  0.00           H   new
ATOM      0 HD13 LEU A  15       7.242  -4.087  10.224  1.00  0.00           H   new
ATOM      0 HD21 LEU A  15       5.695  -1.859  11.682  1.00  0.00           H   new
ATOM      0 HD22 LEU A  15       7.201  -1.588  10.773  1.00  0.00           H   new
ATOM      0 HD23 LEU A  15       5.742  -0.650  10.377  1.00  0.00           H   new
ATOM    213  N   LEU A  16       6.922  -0.121   5.762  1.00  0.00           N
ATOM    214  CA  LEU A  16       7.980   0.562   5.034  1.00  0.00           C
ATOM    215  C   LEU A  16       7.599   2.017   4.784  1.00  0.00           C
ATOM    216  O   LEU A  16       8.340   2.764   4.147  1.00  0.00           O
ATOM    217  CB  LEU A  16       8.261  -0.147   3.704  1.00  0.00           C
ATOM    218  CG  LEU A  16       8.690  -1.611   3.828  1.00  0.00           C
ATOM    219  CD1 LEU A  16       8.715  -2.275   2.460  1.00  0.00           C
ATOM    220  CD2 LEU A  16      10.052  -1.716   4.498  1.00  0.00           C
ATOM      0  H   LEU A  16       6.135  -0.415   5.184  1.00  0.00           H   new
ATOM      0  HA  LEU A  16       8.886   0.537   5.640  1.00  0.00           H   new
ATOM      0  HB2 LEU A  16       7.364  -0.098   3.087  1.00  0.00           H   new
ATOM      0  HB3 LEU A  16       9.041   0.401   3.176  1.00  0.00           H   new
ATOM      0  HG  LEU A  16       7.962  -2.131   4.451  1.00  0.00           H   new
ATOM      0 HD11 LEU A  16       9.022  -3.315   2.566  1.00  0.00           H   new
ATOM      0 HD12 LEU A  16       7.720  -2.234   2.017  1.00  0.00           H   new
ATOM      0 HD13 LEU A  16       9.421  -1.752   1.815  1.00  0.00           H   new
ATOM      0 HD21 LEU A  16      10.339  -2.765   4.577  1.00  0.00           H   new
ATOM      0 HD22 LEU A  16      10.792  -1.181   3.903  1.00  0.00           H   new
ATOM      0 HD23 LEU A  16      10.002  -1.278   5.495  1.00  0.00           H   new
ATOM    232  N   GLY A  17       6.440   2.413   5.297  1.00  0.00           N
ATOM    233  CA  GLY A  17       5.983   3.778   5.130  1.00  0.00           C
ATOM    234  C   GLY A  17       4.826   3.899   4.160  1.00  0.00           C
ATOM    235  O   GLY A  17       4.059   4.858   4.222  1.00  0.00           O
ATOM      0  H   GLY A  17       5.809   1.812   5.826  1.00  0.00           H   new
ATOM      0  HA2 GLY A  17       5.681   4.176   6.099  1.00  0.00           H   new
ATOM      0  HA3 GLY A  17       6.811   4.392   4.778  1.00  0.00           H   new
ATOM    239  N   CYS A  18       4.699   2.927   3.262  1.00  0.00           N
ATOM    240  CA  CYS A  18       3.626   2.934   2.275  1.00  0.00           C
ATOM    241  C   CYS A  18       2.268   2.868   2.959  1.00  0.00           C
ATOM    242  O   CYS A  18       1.868   1.822   3.472  1.00  0.00           O
ATOM    243  CB  CYS A  18       3.780   1.762   1.305  1.00  0.00           C
ATOM    244  SG  CYS A  18       5.341   1.768   0.366  1.00  0.00           S
ATOM      0  H   CYS A  18       5.326   2.125   3.198  1.00  0.00           H   new
ATOM      0  HA  CYS A  18       3.690   3.865   1.712  1.00  0.00           H   new
ATOM      0  HB2 CYS A  18       3.710   0.830   1.866  1.00  0.00           H   new
ATOM      0  HB3 CYS A  18       2.947   1.775   0.602  1.00  0.00           H   new
ATOM    249  N   SER A  19       1.570   3.991   2.979  1.00  0.00           N
ATOM    250  CA  SER A  19       0.268   4.065   3.613  1.00  0.00           C
ATOM    251  C   SER A  19      -0.831   4.224   2.569  1.00  0.00           C
ATOM    252  O   SER A  19      -0.581   4.702   1.458  1.00  0.00           O
ATOM    253  CB  SER A  19       0.244   5.232   4.600  1.00  0.00           C
ATOM    254  OG  SER A  19       1.419   6.017   4.482  1.00  0.00           O
ATOM      0  H   SER A  19       1.886   4.866   2.561  1.00  0.00           H   new
ATOM      0  HA  SER A  19       0.085   3.137   4.154  1.00  0.00           H   new
ATOM      0  HB2 SER A  19      -0.633   5.852   4.415  1.00  0.00           H   new
ATOM      0  HB3 SER A  19       0.156   4.851   5.618  1.00  0.00           H   new
ATOM      0  HG  SER A  19       1.382   6.759   5.121  1.00  0.00           H   new
ATOM    260  N   CYS A  20      -2.042   3.814   2.931  1.00  0.00           N
ATOM    261  CA  CYS A  20      -3.189   3.897   2.036  1.00  0.00           C
ATOM    262  C   CYS A  20      -3.542   5.347   1.734  1.00  0.00           C
ATOM    263  O   CYS A  20      -4.165   6.025   2.547  1.00  0.00           O
ATOM    264  CB  CYS A  20      -4.396   3.187   2.655  1.00  0.00           C
ATOM    265  SG  CYS A  20      -5.507   2.403   1.440  1.00  0.00           S
ATOM      0  H   CYS A  20      -2.255   3.418   3.846  1.00  0.00           H   new
ATOM      0  HA  CYS A  20      -2.923   3.405   1.101  1.00  0.00           H   new
ATOM      0  HB2 CYS A  20      -4.039   2.425   3.348  1.00  0.00           H   new
ATOM      0  HB3 CYS A  20      -4.967   3.908   3.240  1.00  0.00           H   new
ATOM    270  N   SER A  21      -3.140   5.813   0.563  1.00  0.00           N
ATOM    271  CA  SER A  21      -3.416   7.179   0.151  1.00  0.00           C
ATOM    272  C   SER A  21      -4.783   7.259  -0.520  1.00  0.00           C
ATOM    273  O   SER A  21      -5.541   8.203  -0.306  1.00  0.00           O
ATOM    274  CB  SER A  21      -2.318   7.655  -0.797  1.00  0.00           C
ATOM    275  OG  SER A  21      -1.206   6.772  -0.754  1.00  0.00           O
ATOM      0  H   SER A  21      -2.620   5.263  -0.121  1.00  0.00           H   new
ATOM      0  HA  SER A  21      -3.430   7.828   1.027  1.00  0.00           H   new
ATOM      0  HB2 SER A  21      -2.706   7.711  -1.814  1.00  0.00           H   new
ATOM      0  HB3 SER A  21      -2.002   8.661  -0.521  1.00  0.00           H   new
ATOM      0  HG  SER A  21      -0.383   7.288  -0.624  1.00  0.00           H   new
ATOM    281  N   ASN A  22      -5.091   6.247  -1.325  1.00  0.00           N
ATOM    282  CA  ASN A  22      -6.369   6.177  -2.028  1.00  0.00           C
ATOM    283  C   ASN A  22      -6.590   4.772  -2.573  1.00  0.00           C
ATOM    284  O   ASN A  22      -6.420   4.526  -3.767  1.00  0.00           O
ATOM    285  CB  ASN A  22      -6.423   7.195  -3.172  1.00  0.00           C
ATOM    286  CG  ASN A  22      -7.830   7.383  -3.714  1.00  0.00           C
ATOM    287  OD1 ASN A  22      -8.810   6.970  -3.094  1.00  0.00           O
ATOM    288  ND2 ASN A  22      -7.940   8.008  -4.876  1.00  0.00           N
ATOM      0  H   ASN A  22      -4.469   5.459  -1.508  1.00  0.00           H   new
ATOM      0  HA  ASN A  22      -7.161   6.416  -1.318  1.00  0.00           H   new
ATOM      0  HB2 ASN A  22      -6.041   8.153  -2.820  1.00  0.00           H   new
ATOM      0  HB3 ASN A  22      -5.767   6.867  -3.978  1.00  0.00           H   new
ATOM      0 HD21 ASN A  22      -8.861   8.162  -5.287  1.00  0.00           H   new
ATOM      0 HD22 ASN A  22      -7.104   8.336  -5.360  1.00  0.00           H   new
ATOM    295  N   LYS A  23      -6.950   3.852  -1.676  1.00  0.00           N
ATOM    296  CA  LYS A  23      -7.191   2.445  -2.027  1.00  0.00           C
ATOM    297  C   LYS A  23      -5.901   1.747  -2.456  1.00  0.00           C
ATOM    298  O   LYS A  23      -5.923   0.608  -2.918  1.00  0.00           O
ATOM    299  CB  LYS A  23      -8.260   2.326  -3.122  1.00  0.00           C
ATOM    300  CG  LYS A  23      -9.493   1.547  -2.688  1.00  0.00           C
ATOM    301  CD  LYS A  23     -10.281   2.285  -1.614  1.00  0.00           C
ATOM    302  CE  LYS A  23     -10.144   1.612  -0.256  1.00  0.00           C
ATOM    303  NZ  LYS A  23     -11.149   0.531  -0.058  1.00  0.00           N
ATOM      0  H   LYS A  23      -7.083   4.058  -0.686  1.00  0.00           H   new
ATOM      0  HA  LYS A  23      -7.560   1.944  -1.132  1.00  0.00           H   new
ATOM      0  HB2 LYS A  23      -8.563   3.326  -3.432  1.00  0.00           H   new
ATOM      0  HB3 LYS A  23      -7.822   1.840  -3.994  1.00  0.00           H   new
ATOM      0  HG2 LYS A  23     -10.134   1.371  -3.552  1.00  0.00           H   new
ATOM      0  HG3 LYS A  23      -9.191   0.570  -2.310  1.00  0.00           H   new
ATOM      0  HD2 LYS A  23      -9.930   3.315  -1.547  1.00  0.00           H   new
ATOM      0  HD3 LYS A  23     -11.333   2.325  -1.897  1.00  0.00           H   new
ATOM      0  HE2 LYS A  23      -9.141   1.195  -0.159  1.00  0.00           H   new
ATOM      0  HE3 LYS A  23     -10.257   2.359   0.530  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  23     -11.017   0.102   0.880  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  23     -12.107   0.931  -0.124  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  23     -11.026  -0.196  -0.792  1.00  0.00           H   new
ATOM    317  N   VAL A  24      -4.784   2.432  -2.274  1.00  0.00           N
ATOM    318  CA  VAL A  24      -3.473   1.899  -2.604  1.00  0.00           C
ATOM    319  C   VAL A  24      -2.432   2.545  -1.695  1.00  0.00           C
ATOM    320  O   VAL A  24      -2.579   3.710  -1.312  1.00  0.00           O
ATOM    321  CB  VAL A  24      -3.120   2.121  -4.098  1.00  0.00           C
ATOM    322  CG1 VAL A  24      -3.276   3.584  -4.489  1.00  0.00           C
ATOM    323  CG2 VAL A  24      -1.714   1.626  -4.413  1.00  0.00           C
ATOM      0  H   VAL A  24      -4.761   3.377  -1.892  1.00  0.00           H   new
ATOM      0  HA  VAL A  24      -3.482   0.821  -2.442  1.00  0.00           H   new
ATOM      0  HB  VAL A  24      -3.823   1.536  -4.691  1.00  0.00           H   new
ATOM      0 HG11 VAL A  24      -3.022   3.708  -5.542  1.00  0.00           H   new
ATOM      0 HG12 VAL A  24      -4.307   3.896  -4.326  1.00  0.00           H   new
ATOM      0 HG13 VAL A  24      -2.611   4.196  -3.880  1.00  0.00           H   new
ATOM      0 HG21 VAL A  24      -1.496   1.795  -5.468  1.00  0.00           H   new
ATOM      0 HG22 VAL A  24      -0.992   2.168  -3.802  1.00  0.00           H   new
ATOM      0 HG23 VAL A  24      -1.646   0.560  -4.195  1.00  0.00           H   new
ATOM    333  N   CYS A  25      -1.406   1.795  -1.331  1.00  0.00           N
ATOM    334  CA  CYS A  25      -0.368   2.310  -0.453  1.00  0.00           C
ATOM    335  C   CYS A  25       0.770   2.920  -1.256  1.00  0.00           C
ATOM    336  O   CYS A  25       1.327   2.283  -2.150  1.00  0.00           O
ATOM    337  CB  CYS A  25       0.152   1.201   0.457  1.00  0.00           C
ATOM    338  SG  CYS A  25      -0.975   0.800   1.830  1.00  0.00           S
ATOM      0  H   CYS A  25      -1.269   0.829  -1.629  1.00  0.00           H   new
ATOM      0  HA  CYS A  25      -0.802   3.096   0.166  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25       0.321   0.303  -0.138  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25       1.118   1.500   0.865  1.00  0.00           H   new
ATOM    343  N   TYR A  26       1.106   4.160  -0.934  1.00  0.00           N
ATOM    344  CA  TYR A  26       2.171   4.866  -1.623  1.00  0.00           C
ATOM    345  C   TYR A  26       3.113   5.521  -0.624  1.00  0.00           C
ATOM    346  O   TYR A  26       2.697   5.919   0.464  1.00  0.00           O
ATOM    347  CB  TYR A  26       1.588   5.932  -2.554  1.00  0.00           C
ATOM    348  CG  TYR A  26       1.513   5.509  -4.003  1.00  0.00           C
ATOM    349  CD1 TYR A  26       0.533   4.627  -4.439  1.00  0.00           C
ATOM    350  CD2 TYR A  26       2.420   5.996  -4.936  1.00  0.00           C
ATOM    351  CE1 TYR A  26       0.458   4.240  -5.762  1.00  0.00           C
ATOM    352  CE2 TYR A  26       2.350   5.614  -6.263  1.00  0.00           C
ATOM    353  CZ  TYR A  26       1.368   4.736  -6.670  1.00  0.00           C
ATOM    354  OH  TYR A  26       1.297   4.352  -7.989  1.00  0.00           O
ATOM      0  H   TYR A  26       0.653   4.699  -0.196  1.00  0.00           H   new
ATOM      0  HA  TYR A  26       2.731   4.142  -2.214  1.00  0.00           H   new
ATOM      0  HB2 TYR A  26       0.587   6.192  -2.210  1.00  0.00           H   new
ATOM      0  HB3 TYR A  26       2.195   6.835  -2.481  1.00  0.00           H   new
ATOM      0  HD1 TYR A  26      -0.183   4.237  -3.731  1.00  0.00           H   new
ATOM      0  HD2 TYR A  26       3.191   6.683  -4.620  1.00  0.00           H   new
ATOM      0  HE1 TYR A  26      -0.310   3.552  -6.084  1.00  0.00           H   new
ATOM      0  HE2 TYR A  26       3.061   6.002  -6.977  1.00  0.00           H   new
ATOM      0  HH  TYR A  26       2.010   4.793  -8.497  1.00  0.00           H   new
ATOM    364  N   ASN A  27       4.375   5.633  -1.009  1.00  0.00           N
ATOM    365  CA  ASN A  27       5.398   6.249  -0.172  1.00  0.00           C
ATOM    366  C   ASN A  27       6.556   6.690  -1.050  1.00  0.00           C
ATOM    367  O   ASN A  27       7.609   6.051  -1.086  1.00  0.00           O
ATOM    368  CB  ASN A  27       5.890   5.279   0.905  1.00  0.00           C
ATOM    369  CG  ASN A  27       6.850   5.937   1.882  1.00  0.00           C
ATOM    370  OD1 ASN A  27       6.794   7.143   2.112  1.00  0.00           O
ATOM    371  ND2 ASN A  27       7.737   5.145   2.464  1.00  0.00           N
ATOM      0  H   ASN A  27       4.721   5.300  -1.909  1.00  0.00           H   new
ATOM      0  HA  ASN A  27       4.967   7.113   0.334  1.00  0.00           H   new
ATOM      0  HB2 ASN A  27       5.034   4.883   1.452  1.00  0.00           H   new
ATOM      0  HB3 ASN A  27       6.384   4.432   0.429  1.00  0.00           H   new
ATOM      0 HD21 ASN A  27       8.406   5.531   3.130  1.00  0.00           H   new
ATOM      0 HD22 ASN A  27       7.751   4.149   2.246  1.00  0.00           H   new
ATOM    378  N   GLY A  28       6.340   7.763  -1.797  1.00  0.00           N
ATOM    379  CA  GLY A  28       7.357   8.256  -2.704  1.00  0.00           C
ATOM    380  C   GLY A  28       7.365   7.469  -3.999  1.00  0.00           C
ATOM    381  O   GLY A  28       7.216   8.030  -5.082  1.00  0.00           O
ATOM      0  H   GLY A  28       5.475   8.303  -1.791  1.00  0.00           H   new
ATOM      0  HA2 GLY A  28       7.178   9.310  -2.917  1.00  0.00           H   new
ATOM      0  HA3 GLY A  28       8.336   8.189  -2.229  1.00  0.00           H   new
ATOM    385  N   ILE A  29       7.514   6.161  -3.871  1.00  0.00           N
ATOM    386  CA  ILE A  29       7.519   5.266  -5.014  1.00  0.00           C
ATOM    387  C   ILE A  29       6.250   4.416  -5.012  1.00  0.00           C
ATOM    388  O   ILE A  29       5.589   4.286  -3.978  1.00  0.00           O
ATOM    389  CB  ILE A  29       8.757   4.340  -5.001  1.00  0.00           C
ATOM    390  CG1 ILE A  29       9.015   3.801  -3.591  1.00  0.00           C
ATOM    391  CG2 ILE A  29       9.979   5.080  -5.524  1.00  0.00           C
ATOM    392  CD1 ILE A  29       9.060   2.290  -3.519  1.00  0.00           C
ATOM      0  H   ILE A  29       7.635   5.691  -2.974  1.00  0.00           H   new
ATOM      0  HA  ILE A  29       7.557   5.876  -5.916  1.00  0.00           H   new
ATOM      0  HB  ILE A  29       8.559   3.493  -5.658  1.00  0.00           H   new
ATOM      0 HG12 ILE A  29       9.960   4.202  -3.225  1.00  0.00           H   new
ATOM      0 HG13 ILE A  29       8.234   4.165  -2.923  1.00  0.00           H   new
ATOM      0 HG21 ILE A  29      10.842   4.414  -5.508  1.00  0.00           H   new
ATOM      0 HG22 ILE A  29       9.794   5.411  -6.546  1.00  0.00           H   new
ATOM      0 HG23 ILE A  29      10.178   5.946  -4.893  1.00  0.00           H   new
ATOM      0 HD11 ILE A  29       9.246   1.980  -2.491  1.00  0.00           H   new
ATOM      0 HD12 ILE A  29       8.107   1.881  -3.854  1.00  0.00           H   new
ATOM      0 HD13 ILE A  29       9.859   1.919  -4.160  1.00  0.00           H   new
ATOM    404  N   PRO A  30       5.879   3.841  -6.167  1.00  0.00           N
ATOM    405  CA  PRO A  30       4.679   3.012  -6.290  1.00  0.00           C
ATOM    406  C   PRO A  30       4.839   1.661  -5.598  1.00  0.00           C
ATOM    407  O   PRO A  30       5.421   0.729  -6.158  1.00  0.00           O
ATOM    408  CB  PRO A  30       4.513   2.820  -7.807  1.00  0.00           C
ATOM    409  CG  PRO A  30       5.479   3.765  -8.443  1.00  0.00           C
ATOM    410  CD  PRO A  30       6.583   3.958  -7.448  1.00  0.00           C
ATOM      0  HA  PRO A  30       3.816   3.480  -5.816  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30       4.724   1.791  -8.097  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30       3.491   3.036  -8.119  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30       5.863   3.359  -9.379  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30       4.998   4.714  -8.681  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30       7.361   3.202  -7.554  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30       7.065   4.930  -7.559  1.00  0.00           H   new