USER  MOD reduce.3.24.130724 H: found=0, std=0, add=200, rem=0, adj=10
USER  MOD reduce.3.24.130724 removed 199 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  25 TYR OH  :   rot  180:sc=       0
USER  MOD Set 1.2: A  27 SER OG  :   rot  -39:sc=   -1.45!
USER  MOD Single : A   1 VAL N   :NH3+   -136:sc=   -1.82!  (180deg=-2.56!)
USER  MOD Single : A   3 HIS     :     no HD1:sc=   -4.72! C(o=-4.7!,f=-5.3!)
USER  MOD Single : A   8 THR OG1 :   rot -140:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot   68:sc=   0.071
USER  MOD Single : A  15 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  17 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  19 SER OG  :   rot  129:sc=   0.952
USER  MOD Single : A  21 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  30 SER OG  :   rot  180:sc=  -0.751
USER  MOD -----------------------------------------------------------------
ATOM      1  N   VAL A   1       9.298   6.033   1.844  1.00  0.00           N
ATOM      2  CA  VAL A   1       8.046   5.230   1.692  1.00  0.00           C
ATOM      3  C   VAL A   1       7.645   5.148   0.217  1.00  0.00           C
ATOM      4  O   VAL A   1       7.972   6.009  -0.575  1.00  0.00           O
ATOM      5  CB  VAL A   1       6.983   5.987   2.494  1.00  0.00           C
ATOM      6  CG1 VAL A   1       7.461   6.164   3.936  1.00  0.00           C
ATOM      7  CG2 VAL A   1       6.747   7.361   1.861  1.00  0.00           C
ATOM      0  H1  VAL A   1       9.940   5.554   2.508  1.00  0.00           H   new
ATOM      0  H2  VAL A   1       9.764   6.128   0.919  1.00  0.00           H   new
ATOM      0  H3  VAL A   1       9.062   6.977   2.211  1.00  0.00           H   new
ATOM      0  HA  VAL A   1       8.170   4.207   2.046  1.00  0.00           H   new
ATOM      0  HB  VAL A   1       6.052   5.420   2.488  1.00  0.00           H   new
ATOM      0 HG11 VAL A   1       6.704   6.703   4.507  1.00  0.00           H   new
ATOM      0 HG12 VAL A   1       7.627   5.186   4.387  1.00  0.00           H   new
ATOM      0 HG13 VAL A   1       8.393   6.730   3.944  1.00  0.00           H   new
ATOM      0 HG21 VAL A   1       5.991   7.899   2.432  1.00  0.00           H   new
ATOM      0 HG22 VAL A   1       7.678   7.929   1.866  1.00  0.00           H   new
ATOM      0 HG23 VAL A   1       6.405   7.234   0.834  1.00  0.00           H   new
ATOM     19  N   ILE A   2       6.935   4.118  -0.157  1.00  0.00           N
ATOM     20  CA  ILE A   2       6.510   3.981  -1.580  1.00  0.00           C
ATOM     21  C   ILE A   2       5.213   4.759  -1.820  1.00  0.00           C
ATOM     22  O   ILE A   2       4.456   5.020  -0.907  1.00  0.00           O
ATOM     23  CB  ILE A   2       6.278   2.483  -1.780  1.00  0.00           C
ATOM     24  CG1 ILE A   2       7.512   1.709  -1.310  1.00  0.00           C
ATOM     25  CG2 ILE A   2       6.038   2.199  -3.264  1.00  0.00           C
ATOM     26  CD1 ILE A   2       8.721   2.115  -2.151  1.00  0.00           C
ATOM      0  H   ILE A   2       6.631   3.366   0.461  1.00  0.00           H   new
ATOM      0  HA  ILE A   2       7.252   4.376  -2.273  1.00  0.00           H   new
ATOM      0  HB  ILE A   2       5.408   2.170  -1.202  1.00  0.00           H   new
ATOM      0 HG12 ILE A   2       7.703   1.914  -0.257  1.00  0.00           H   new
ATOM      0 HG13 ILE A   2       7.337   0.637  -1.399  1.00  0.00           H   new
ATOM      0 HG21 ILE A   2       5.872   1.131  -3.408  1.00  0.00           H   new
ATOM      0 HG22 ILE A   2       5.161   2.751  -3.603  1.00  0.00           H   new
ATOM      0 HG23 ILE A   2       6.909   2.512  -3.840  1.00  0.00           H   new
ATOM      0 HD11 ILE A   2       9.599   1.563  -1.816  1.00  0.00           H   new
ATOM      0 HD12 ILE A   2       8.528   1.887  -3.199  1.00  0.00           H   new
ATOM      0 HD13 ILE A   2       8.900   3.184  -2.039  1.00  0.00           H   new
ATOM     38  N   HIS A   3       4.952   5.130  -3.044  1.00  0.00           N
ATOM     39  CA  HIS A   3       3.705   5.890  -3.343  1.00  0.00           C
ATOM     40  C   HIS A   3       3.083   5.394  -4.653  1.00  0.00           C
ATOM     41  O   HIS A   3       3.689   5.468  -5.704  1.00  0.00           O
ATOM     42  CB  HIS A   3       4.153   7.345  -3.479  1.00  0.00           C
ATOM     43  CG  HIS A   3       3.890   8.072  -2.188  1.00  0.00           C
ATOM     44  ND1 HIS A   3       2.663   8.651  -1.903  1.00  0.00           N
ATOM     45  CD2 HIS A   3       4.684   8.318  -1.097  1.00  0.00           C
ATOM     46  CE1 HIS A   3       2.755   9.212  -0.682  1.00  0.00           C
ATOM     47  NE2 HIS A   3       3.966   9.038  -0.147  1.00  0.00           N
ATOM      0  H   HIS A   3       5.548   4.940  -3.849  1.00  0.00           H   new
ATOM      0  HA  HIS A   3       2.949   5.766  -2.567  1.00  0.00           H   new
ATOM      0  HB2 HIS A   3       5.214   7.389  -3.724  1.00  0.00           H   new
ATOM      0  HB3 HIS A   3       3.617   7.827  -4.296  1.00  0.00           H   new
ATOM      0  HD2 HIS A   3       5.711   8.001  -0.991  1.00  0.00           H   new
ATOM      0  HE1 HIS A   3       1.948   9.739  -0.195  1.00  0.00           H   new
ATOM      0  HE2 HIS A   3       4.294   9.363   0.762  1.00  0.00           H   new
ATOM     55  N   CYS A   4       1.883   4.886  -4.598  1.00  0.00           N
ATOM     56  CA  CYS A   4       1.229   4.382  -5.840  1.00  0.00           C
ATOM     57  C   CYS A   4      -0.214   4.886  -5.925  1.00  0.00           C
ATOM     58  O   CYS A   4      -0.988   4.447  -6.752  1.00  0.00           O
ATOM     59  CB  CYS A   4       1.257   2.857  -5.711  1.00  0.00           C
ATOM     60  SG  CYS A   4       2.903   2.321  -5.179  1.00  0.00           S
ATOM      0  H   CYS A   4       1.327   4.798  -3.748  1.00  0.00           H   new
ATOM      0  HA  CYS A   4       1.737   4.726  -6.741  1.00  0.00           H   new
ATOM      0  HB2 CYS A   4       0.507   2.529  -4.991  1.00  0.00           H   new
ATOM      0  HB3 CYS A   4       1.005   2.397  -6.666  1.00  0.00           H   new
ATOM     65  N   ASP A   5      -0.582   5.807  -5.077  1.00  0.00           N
ATOM     66  CA  ASP A   5      -1.977   6.339  -5.112  1.00  0.00           C
ATOM     67  C   ASP A   5      -1.959   7.876  -5.105  1.00  0.00           C
ATOM     68  O   ASP A   5      -1.722   8.505  -6.117  1.00  0.00           O
ATOM     69  CB  ASP A   5      -2.648   5.793  -3.845  1.00  0.00           C
ATOM     70  CG  ASP A   5      -1.658   5.828  -2.676  1.00  0.00           C
ATOM     71  OD1 ASP A   5      -1.239   6.914  -2.312  1.00  0.00           O
ATOM     72  OD2 ASP A   5      -1.338   4.767  -2.164  1.00  0.00           O
ATOM      0  H   ASP A   5       0.021   6.215  -4.362  1.00  0.00           H   new
ATOM      0  HA  ASP A   5      -2.513   6.036  -6.012  1.00  0.00           H   new
ATOM      0  HB2 ASP A   5      -3.530   6.387  -3.605  1.00  0.00           H   new
ATOM      0  HB3 ASP A   5      -2.989   4.772  -4.014  1.00  0.00           H   new
ATOM     77  N   ALA A   6      -2.205   8.485  -3.974  1.00  0.00           N
ATOM     78  CA  ALA A   6      -2.196   9.975  -3.915  1.00  0.00           C
ATOM     79  C   ALA A   6      -2.081  10.442  -2.463  1.00  0.00           C
ATOM     80  O   ALA A   6      -1.338  11.351  -2.150  1.00  0.00           O
ATOM     81  CB  ALA A   6      -3.535  10.402  -4.510  1.00  0.00           C
ATOM      0  H   ALA A   6      -2.411   8.016  -3.092  1.00  0.00           H   new
ATOM      0  HA  ALA A   6      -1.354  10.406  -4.457  1.00  0.00           H   new
ATOM      0  HB1 ALA A   6      -3.606  11.490  -4.502  1.00  0.00           H   new
ATOM      0  HB2 ALA A   6      -3.609  10.041  -5.536  1.00  0.00           H   new
ATOM      0  HB3 ALA A   6      -4.347   9.981  -3.917  1.00  0.00           H   new
ATOM     87  N   ALA A   7      -2.807   9.824  -1.573  1.00  0.00           N
ATOM     88  CA  ALA A   7      -2.737  10.228  -0.140  1.00  0.00           C
ATOM     89  C   ALA A   7      -2.103   9.110   0.691  1.00  0.00           C
ATOM     90  O   ALA A   7      -1.168   9.329   1.435  1.00  0.00           O
ATOM     91  CB  ALA A   7      -4.190  10.449   0.279  1.00  0.00           C
ATOM      0  H   ALA A   7      -3.447   9.056  -1.776  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -2.129  11.120   0.010  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -4.225  10.750   1.326  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -4.632  11.231  -0.338  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -4.751   9.524   0.149  1.00  0.00           H   new
ATOM     97  N   THR A   8      -2.602   7.911   0.563  1.00  0.00           N
ATOM     98  CA  THR A   8      -2.026   6.777   1.341  1.00  0.00           C
ATOM     99  C   THR A   8      -0.534   6.627   1.032  1.00  0.00           C
ATOM    100  O   THR A   8      -0.042   7.125   0.038  1.00  0.00           O
ATOM    101  CB  THR A   8      -2.796   5.542   0.869  1.00  0.00           C
ATOM    102  OG1 THR A   8      -4.162   5.668   1.239  1.00  0.00           O
ATOM    103  CG2 THR A   8      -2.203   4.291   1.517  1.00  0.00           C
ATOM      0  H   THR A   8      -3.383   7.667  -0.046  1.00  0.00           H   new
ATOM      0  HA  THR A   8      -2.115   6.928   2.417  1.00  0.00           H   new
ATOM      0  HB  THR A   8      -2.719   5.457  -0.215  1.00  0.00           H   new
ATOM      0  HG1 THR A   8      -4.500   4.800   1.543  1.00  0.00           H   new
ATOM      0 HG21 THR A   8      -2.752   3.412   1.180  1.00  0.00           H   new
ATOM      0 HG22 THR A   8      -1.155   4.196   1.232  1.00  0.00           H   new
ATOM      0 HG23 THR A   8      -2.278   4.372   2.601  1.00  0.00           H   new
ATOM    111  N   ILE A   9       0.189   5.943   1.875  1.00  0.00           N
ATOM    112  CA  ILE A   9       1.649   5.760   1.631  1.00  0.00           C
ATOM    113  C   ILE A   9       2.071   4.339   2.013  1.00  0.00           C
ATOM    114  O   ILE A   9       1.298   3.578   2.560  1.00  0.00           O
ATOM    115  CB  ILE A   9       2.336   6.783   2.536  1.00  0.00           C
ATOM    116  CG1 ILE A   9       1.596   8.122   2.449  1.00  0.00           C
ATOM    117  CG2 ILE A   9       3.784   6.973   2.083  1.00  0.00           C
ATOM    118  CD1 ILE A   9       2.260   9.133   3.385  1.00  0.00           C
ATOM      0  H   ILE A   9      -0.168   5.502   2.723  1.00  0.00           H   new
ATOM      0  HA  ILE A   9       1.914   5.902   0.583  1.00  0.00           H   new
ATOM      0  HB  ILE A   9       2.320   6.425   3.565  1.00  0.00           H   new
ATOM      0 HG12 ILE A   9       1.613   8.493   1.424  1.00  0.00           H   new
ATOM      0 HG13 ILE A   9       0.549   7.990   2.723  1.00  0.00           H   new
ATOM      0 HG21 ILE A   9       4.274   7.702   2.728  1.00  0.00           H   new
ATOM      0 HG22 ILE A   9       4.312   6.021   2.144  1.00  0.00           H   new
ATOM      0 HG23 ILE A   9       3.799   7.331   1.054  1.00  0.00           H   new
ATOM      0 HD11 ILE A   9       1.734  10.086   3.324  1.00  0.00           H   new
ATOM      0 HD12 ILE A   9       2.220   8.762   4.409  1.00  0.00           H   new
ATOM      0 HD13 ILE A   9       3.300   9.273   3.090  1.00  0.00           H   new
ATOM    130  N   CYS A  10       3.288   3.972   1.723  1.00  0.00           N
ATOM    131  CA  CYS A  10       3.751   2.597   2.066  1.00  0.00           C
ATOM    132  C   CYS A  10       5.217   2.619   2.509  1.00  0.00           C
ATOM    133  O   CYS A  10       6.034   3.292   1.917  1.00  0.00           O
ATOM    134  CB  CYS A  10       3.599   1.799   0.771  1.00  0.00           C
ATOM    135  SG  CYS A  10       1.850   1.434   0.487  1.00  0.00           S
ATOM      0  H   CYS A  10       3.981   4.563   1.264  1.00  0.00           H   new
ATOM      0  HA  CYS A  10       3.180   2.165   2.888  1.00  0.00           H   new
ATOM      0  HB2 CYS A  10       4.004   2.366  -0.067  1.00  0.00           H   new
ATOM      0  HB3 CYS A  10       4.169   0.872   0.834  1.00  0.00           H   new
ATOM    140  N   PRO A  11       5.499   1.871   3.540  1.00  0.00           N
ATOM    141  CA  PRO A  11       6.876   1.793   4.062  1.00  0.00           C
ATOM    142  C   PRO A  11       7.737   0.907   3.157  1.00  0.00           C
ATOM    143  O   PRO A  11       7.355   0.579   2.051  1.00  0.00           O
ATOM    144  CB  PRO A  11       6.708   1.156   5.434  1.00  0.00           C
ATOM    145  CG  PRO A  11       5.429   0.375   5.352  1.00  0.00           C
ATOM    146  CD  PRO A  11       4.564   1.042   4.303  1.00  0.00           C
ATOM      0  HA  PRO A  11       7.371   2.763   4.107  1.00  0.00           H   new
ATOM      0  HB2 PRO A  11       7.551   0.507   5.673  1.00  0.00           H   new
ATOM      0  HB3 PRO A  11       6.657   1.913   6.216  1.00  0.00           H   new
ATOM      0  HG2 PRO A  11       5.628  -0.662   5.084  1.00  0.00           H   new
ATOM      0  HG3 PRO A  11       4.923   0.363   6.317  1.00  0.00           H   new
ATOM      0  HD2 PRO A  11       4.073   0.307   3.666  1.00  0.00           H   new
ATOM      0  HD3 PRO A  11       3.778   1.644   4.759  1.00  0.00           H   new
ATOM    154  N   ASP A  12       8.890   0.511   3.618  1.00  0.00           N
ATOM    155  CA  ASP A  12       9.765  -0.359   2.783  1.00  0.00           C
ATOM    156  C   ASP A  12       9.452  -1.835   3.049  1.00  0.00           C
ATOM    157  O   ASP A  12       9.084  -2.212   4.144  1.00  0.00           O
ATOM    158  CB  ASP A  12      11.189  -0.028   3.223  1.00  0.00           C
ATOM    159  CG  ASP A  12      11.532   1.404   2.808  1.00  0.00           C
ATOM    160  OD1 ASP A  12      10.665   2.064   2.261  1.00  0.00           O
ATOM    161  OD2 ASP A  12      12.657   1.814   3.043  1.00  0.00           O
ATOM      0  H   ASP A  12       9.264   0.752   4.536  1.00  0.00           H   new
ATOM      0  HA  ASP A  12       9.618  -0.189   1.716  1.00  0.00           H   new
ATOM      0  HB2 ASP A  12      11.282  -0.137   4.304  1.00  0.00           H   new
ATOM      0  HB3 ASP A  12      11.892  -0.727   2.771  1.00  0.00           H   new
ATOM    166  N   GLY A  13       9.596  -2.670   2.058  1.00  0.00           N
ATOM    167  CA  GLY A  13       9.308  -4.119   2.255  1.00  0.00           C
ATOM    168  C   GLY A  13       7.813  -4.377   2.048  1.00  0.00           C
ATOM    169  O   GLY A  13       7.283  -5.385   2.471  1.00  0.00           O
ATOM      0  H   GLY A  13       9.901  -2.412   1.119  1.00  0.00           H   new
ATOM      0  HA2 GLY A  13       9.891  -4.715   1.553  1.00  0.00           H   new
ATOM      0  HA3 GLY A  13       9.605  -4.426   3.258  1.00  0.00           H   new
ATOM    173  N   THR A  14       7.129  -3.473   1.400  1.00  0.00           N
ATOM    174  CA  THR A  14       5.668  -3.670   1.167  1.00  0.00           C
ATOM    175  C   THR A  14       5.305  -3.300  -0.274  1.00  0.00           C
ATOM    176  O   THR A  14       6.109  -2.762  -1.009  1.00  0.00           O
ATOM    177  CB  THR A  14       4.979  -2.722   2.147  1.00  0.00           C
ATOM    178  OG1 THR A  14       5.846  -1.633   2.440  1.00  0.00           O
ATOM    179  CG2 THR A  14       4.649  -3.473   3.438  1.00  0.00           C
ATOM      0  H   THR A  14       7.517  -2.608   1.022  1.00  0.00           H   new
ATOM      0  HA  THR A  14       5.365  -4.706   1.316  1.00  0.00           H   new
ATOM      0  HB  THR A  14       4.058  -2.345   1.702  1.00  0.00           H   new
ATOM      0  HG1 THR A  14       5.962  -1.082   1.638  1.00  0.00           H   new
ATOM      0 HG21 THR A  14       4.157  -2.796   4.137  1.00  0.00           H   new
ATOM      0 HG22 THR A  14       3.985  -4.308   3.214  1.00  0.00           H   new
ATOM      0 HG23 THR A  14       5.569  -3.851   3.885  1.00  0.00           H   new
ATOM    187  N   THR A  15       4.098  -3.584  -0.683  1.00  0.00           N
ATOM    188  CA  THR A  15       3.683  -3.245  -2.075  1.00  0.00           C
ATOM    189  C   THR A  15       2.319  -2.548  -2.067  1.00  0.00           C
ATOM    190  O   THR A  15       1.434  -2.904  -1.315  1.00  0.00           O
ATOM    191  CB  THR A  15       3.592  -4.590  -2.797  1.00  0.00           C
ATOM    192  OG1 THR A  15       3.369  -4.367  -4.182  1.00  0.00           O
ATOM    193  CG2 THR A  15       2.435  -5.404  -2.217  1.00  0.00           C
ATOM      0  H   THR A  15       3.382  -4.036  -0.114  1.00  0.00           H   new
ATOM      0  HA  THR A  15       4.383  -2.566  -2.561  1.00  0.00           H   new
ATOM      0  HB  THR A  15       4.524  -5.140  -2.662  1.00  0.00           H   new
ATOM      0  HG1 THR A  15       3.312  -5.228  -4.647  1.00  0.00           H   new
ATOM      0 HG21 THR A  15       2.370  -6.363  -2.732  1.00  0.00           H   new
ATOM      0 HG22 THR A  15       2.607  -5.574  -1.154  1.00  0.00           H   new
ATOM      0 HG23 THR A  15       1.502  -4.857  -2.351  1.00  0.00           H   new
ATOM    201  N   CYS A  16       2.143  -1.559  -2.900  1.00  0.00           N
ATOM    202  CA  CYS A  16       0.834  -0.842  -2.940  1.00  0.00           C
ATOM    203  C   CYS A  16      -0.268  -1.785  -3.423  1.00  0.00           C
ATOM    204  O   CYS A  16      -0.119  -2.471  -4.415  1.00  0.00           O
ATOM    205  CB  CYS A  16       1.035   0.296  -3.940  1.00  0.00           C
ATOM    206  SG  CYS A  16       2.551   1.198  -3.538  1.00  0.00           S
ATOM      0  H   CYS A  16       2.847  -1.216  -3.554  1.00  0.00           H   new
ATOM      0  HA  CYS A  16       0.535  -0.475  -1.958  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16       1.095  -0.103  -4.953  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16       0.180   0.972  -3.914  1.00  0.00           H   new
ATOM    211  N   SER A  17      -1.375  -1.829  -2.733  1.00  0.00           N
ATOM    212  CA  SER A  17      -2.480  -2.732  -3.163  1.00  0.00           C
ATOM    213  C   SER A  17      -3.822  -2.232  -2.620  1.00  0.00           C
ATOM    214  O   SER A  17      -3.928  -1.816  -1.483  1.00  0.00           O
ATOM    215  CB  SER A  17      -2.131  -4.090  -2.560  1.00  0.00           C
ATOM    216  OG  SER A  17      -2.206  -5.087  -3.571  1.00  0.00           O
ATOM      0  H   SER A  17      -1.562  -1.281  -1.893  1.00  0.00           H   new
ATOM      0  HA  SER A  17      -2.578  -2.777  -4.248  1.00  0.00           H   new
ATOM      0  HB2 SER A  17      -1.129  -4.064  -2.133  1.00  0.00           H   new
ATOM      0  HB3 SER A  17      -2.818  -4.327  -1.748  1.00  0.00           H   new
ATOM      0  HG  SER A  17      -1.981  -5.960  -3.187  1.00  0.00           H   new
ATOM    222  N   LEU A  18      -4.848  -2.275  -3.425  1.00  0.00           N
ATOM    223  CA  LEU A  18      -6.185  -1.809  -2.957  1.00  0.00           C
ATOM    224  C   LEU A  18      -6.951  -2.963  -2.305  1.00  0.00           C
ATOM    225  O   LEU A  18      -6.860  -4.099  -2.730  1.00  0.00           O
ATOM    226  CB  LEU A  18      -6.904  -1.337  -4.221  1.00  0.00           C
ATOM    227  CG  LEU A  18      -7.551   0.025  -3.963  1.00  0.00           C
ATOM    228  CD1 LEU A  18      -8.524   0.350  -5.097  1.00  0.00           C
ATOM    229  CD2 LEU A  18      -8.312  -0.012  -2.635  1.00  0.00           C
ATOM      0  H   LEU A  18      -4.819  -2.613  -4.387  1.00  0.00           H   new
ATOM      0  HA  LEU A  18      -6.108  -1.018  -2.211  1.00  0.00           H   new
ATOM      0  HB2 LEU A  18      -6.198  -1.265  -5.048  1.00  0.00           H   new
ATOM      0  HB3 LEU A  18      -7.663  -2.063  -4.512  1.00  0.00           H   new
ATOM      0  HG  LEU A  18      -6.776   0.790  -3.916  1.00  0.00           H   new
ATOM      0 HD11 LEU A  18      -8.985   1.320  -4.914  1.00  0.00           H   new
ATOM      0 HD12 LEU A  18      -7.984   0.378  -6.043  1.00  0.00           H   new
ATOM      0 HD13 LEU A  18      -9.298  -0.416  -5.144  1.00  0.00           H   new
ATOM      0 HD21 LEU A  18      -8.772   0.959  -2.452  1.00  0.00           H   new
ATOM      0 HD22 LEU A  18      -9.086  -0.778  -2.680  1.00  0.00           H   new
ATOM      0 HD23 LEU A  18      -7.620  -0.243  -1.825  1.00  0.00           H   new
ATOM    241  N   SER A  19      -7.698  -2.683  -1.273  1.00  0.00           N
ATOM    242  CA  SER A  19      -8.463  -3.762  -0.590  1.00  0.00           C
ATOM    243  C   SER A  19      -9.770  -4.043  -1.332  1.00  0.00           C
ATOM    244  O   SER A  19     -10.160  -3.301  -2.213  1.00  0.00           O
ATOM    245  CB  SER A  19      -8.751  -3.213   0.806  1.00  0.00           C
ATOM    246  OG  SER A  19     -10.082  -2.715   0.851  1.00  0.00           O
ATOM      0  H   SER A  19      -7.811  -1.752  -0.873  1.00  0.00           H   new
ATOM      0  HA  SER A  19      -7.911  -4.701  -0.559  1.00  0.00           H   new
ATOM      0  HB2 SER A  19      -8.619  -3.997   1.552  1.00  0.00           H   new
ATOM      0  HB3 SER A  19      -8.045  -2.419   1.050  1.00  0.00           H   new
ATOM      0  HG  SER A  19     -10.550  -3.102   1.620  1.00  0.00           H   new
ATOM    252  N   PRO A  20     -10.406  -5.109  -0.940  1.00  0.00           N
ATOM    253  CA  PRO A  20     -11.683  -5.505  -1.567  1.00  0.00           C
ATOM    254  C   PRO A  20     -12.780  -4.509  -1.201  1.00  0.00           C
ATOM    255  O   PRO A  20     -13.828  -4.469  -1.814  1.00  0.00           O
ATOM    256  CB  PRO A  20     -11.967  -6.882  -0.973  1.00  0.00           C
ATOM    257  CG  PRO A  20     -11.207  -6.911   0.316  1.00  0.00           C
ATOM    258  CD  PRO A  20     -10.000  -6.023   0.128  1.00  0.00           C
ATOM      0  HA  PRO A  20     -11.642  -5.524  -2.656  1.00  0.00           H   new
ATOM      0  HB2 PRO A  20     -13.034  -7.027  -0.805  1.00  0.00           H   new
ATOM      0  HB3 PRO A  20     -11.638  -7.676  -1.643  1.00  0.00           H   new
ATOM      0  HG2 PRO A  20     -11.826  -6.553   1.139  1.00  0.00           H   new
ATOM      0  HG3 PRO A  20     -10.904  -7.928   0.564  1.00  0.00           H   new
ATOM      0  HD2 PRO A  20      -9.752  -5.485   1.043  1.00  0.00           H   new
ATOM      0  HD3 PRO A  20      -9.118  -6.599  -0.152  1.00  0.00           H   new
ATOM    266  N   TYR A  21     -12.537  -3.689  -0.220  1.00  0.00           N
ATOM    267  CA  TYR A  21     -13.554  -2.674   0.174  1.00  0.00           C
ATOM    268  C   TYR A  21     -13.180  -1.314  -0.421  1.00  0.00           C
ATOM    269  O   TYR A  21     -13.847  -0.323  -0.200  1.00  0.00           O
ATOM    270  CB  TYR A  21     -13.507  -2.611   1.708  1.00  0.00           C
ATOM    271  CG  TYR A  21     -13.174  -3.973   2.278  1.00  0.00           C
ATOM    272  CD1 TYR A  21     -14.000  -5.070   2.003  1.00  0.00           C
ATOM    273  CD2 TYR A  21     -12.043  -4.133   3.085  1.00  0.00           C
ATOM    274  CE1 TYR A  21     -13.692  -6.328   2.537  1.00  0.00           C
ATOM    275  CE2 TYR A  21     -11.736  -5.389   3.619  1.00  0.00           C
ATOM    276  CZ  TYR A  21     -12.559  -6.487   3.345  1.00  0.00           C
ATOM    277  OH  TYR A  21     -12.256  -7.724   3.872  1.00  0.00           O
ATOM      0  H   TYR A  21     -11.677  -3.677   0.328  1.00  0.00           H   new
ATOM      0  HA  TYR A  21     -14.550  -2.932  -0.185  1.00  0.00           H   new
ATOM      0  HB2 TYR A  21     -12.761  -1.883   2.026  1.00  0.00           H   new
ATOM      0  HB3 TYR A  21     -14.468  -2.272   2.095  1.00  0.00           H   new
ATOM      0  HD1 TYR A  21     -14.873  -4.946   1.380  1.00  0.00           H   new
ATOM      0  HD2 TYR A  21     -11.406  -3.287   3.296  1.00  0.00           H   new
ATOM      0  HE1 TYR A  21     -14.328  -7.175   2.326  1.00  0.00           H   new
ATOM      0  HE2 TYR A  21     -10.863  -5.511   4.243  1.00  0.00           H   new
ATOM      0  HH  TYR A  21     -11.438  -7.660   4.408  1.00  0.00           H   new
ATOM    287  N   GLY A  22     -12.106  -1.258  -1.170  1.00  0.00           N
ATOM    288  CA  GLY A  22     -11.681   0.040  -1.768  1.00  0.00           C
ATOM    289  C   GLY A  22     -10.740   0.761  -0.800  1.00  0.00           C
ATOM    290  O   GLY A  22     -10.680   1.974  -0.764  1.00  0.00           O
ATOM      0  H   GLY A  22     -11.508  -2.054  -1.391  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.179  -0.132  -2.720  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -12.553   0.661  -1.975  1.00  0.00           H   new
ATOM    294  N   VAL A  23     -10.009   0.022  -0.007  1.00  0.00           N
ATOM    295  CA  VAL A  23      -9.076   0.663   0.966  1.00  0.00           C
ATOM    296  C   VAL A  23      -7.630   0.561   0.468  1.00  0.00           C
ATOM    297  O   VAL A  23      -7.126  -0.514   0.210  1.00  0.00           O
ATOM    298  CB  VAL A  23      -9.252  -0.130   2.260  1.00  0.00           C
ATOM    299  CG1 VAL A  23      -8.234   0.348   3.296  1.00  0.00           C
ATOM    300  CG2 VAL A  23     -10.668   0.083   2.801  1.00  0.00           C
ATOM      0  H   VAL A  23     -10.018  -0.998   0.009  1.00  0.00           H   new
ATOM      0  HA  VAL A  23      -9.288   1.723   1.102  1.00  0.00           H   new
ATOM      0  HB  VAL A  23      -9.095  -1.190   2.059  1.00  0.00           H   new
ATOM      0 HG11 VAL A  23      -8.361  -0.218   4.219  1.00  0.00           H   new
ATOM      0 HG12 VAL A  23      -7.225   0.196   2.912  1.00  0.00           H   new
ATOM      0 HG13 VAL A  23      -8.390   1.408   3.497  1.00  0.00           H   new
ATOM      0 HG21 VAL A  23     -10.794  -0.483   3.724  1.00  0.00           H   new
ATOM      0 HG22 VAL A  23     -10.826   1.143   3.001  1.00  0.00           H   new
ATOM      0 HG23 VAL A  23     -11.394  -0.259   2.064  1.00  0.00           H   new
ATOM    310  N   TRP A  24      -6.960   1.672   0.334  1.00  0.00           N
ATOM    311  CA  TRP A  24      -5.546   1.641  -0.145  1.00  0.00           C
ATOM    312  C   TRP A  24      -4.611   1.195   0.985  1.00  0.00           C
ATOM    313  O   TRP A  24      -4.507   1.843   2.008  1.00  0.00           O
ATOM    314  CB  TRP A  24      -5.240   3.084  -0.551  1.00  0.00           C
ATOM    315  CG  TRP A  24      -5.410   3.236  -2.029  1.00  0.00           C
ATOM    316  CD1 TRP A  24      -6.043   4.268  -2.634  1.00  0.00           C
ATOM    317  CD2 TRP A  24      -4.952   2.356  -3.093  1.00  0.00           C
ATOM    318  NE1 TRP A  24      -6.003   4.074  -4.004  1.00  0.00           N
ATOM    319  CE2 TRP A  24      -5.340   2.907  -4.335  1.00  0.00           C
ATOM    320  CE3 TRP A  24      -4.243   1.139  -3.100  1.00  0.00           C
ATOM    321  CZ2 TRP A  24      -5.038   2.280  -5.541  1.00  0.00           C
ATOM    322  CZ3 TRP A  24      -3.935   0.503  -4.317  1.00  0.00           C
ATOM    323  CH2 TRP A  24      -4.334   1.074  -5.534  1.00  0.00           C
ATOM      0  H   TRP A  24      -7.329   2.601   0.535  1.00  0.00           H   new
ATOM      0  HA  TRP A  24      -5.404   0.942  -0.969  1.00  0.00           H   new
ATOM      0  HB2 TRP A  24      -5.906   3.769  -0.026  1.00  0.00           H   new
ATOM      0  HB3 TRP A  24      -4.222   3.345  -0.263  1.00  0.00           H   new
ATOM      0  HD1 TRP A  24      -6.504   5.105  -2.131  1.00  0.00           H   new
ATOM      0  HE1 TRP A  24      -6.412   4.713  -4.685  1.00  0.00           H   new
ATOM      0  HE3 TRP A  24      -3.934   0.692  -2.167  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  24      -5.346   2.724  -6.476  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  24      -3.389  -0.429  -4.314  1.00  0.00           H   new
ATOM      0  HH2 TRP A  24      -4.097   0.581  -6.465  1.00  0.00           H   new
ATOM    334  N   TYR A  25      -3.920   0.097   0.807  1.00  0.00           N
ATOM    335  CA  TYR A  25      -2.988  -0.373   1.876  1.00  0.00           C
ATOM    336  C   TYR A  25      -1.741  -1.011   1.263  1.00  0.00           C
ATOM    337  O   TYR A  25      -1.682  -1.278   0.077  1.00  0.00           O
ATOM    338  CB  TYR A  25      -3.779  -1.409   2.675  1.00  0.00           C
ATOM    339  CG  TYR A  25      -3.962  -2.663   1.851  1.00  0.00           C
ATOM    340  CD1 TYR A  25      -5.052  -2.774   0.979  1.00  0.00           C
ATOM    341  CD2 TYR A  25      -3.050  -3.722   1.966  1.00  0.00           C
ATOM    342  CE1 TYR A  25      -5.229  -3.939   0.223  1.00  0.00           C
ATOM    343  CE2 TYR A  25      -3.229  -4.887   1.210  1.00  0.00           C
ATOM    344  CZ  TYR A  25      -4.318  -4.994   0.338  1.00  0.00           C
ATOM    345  OH  TYR A  25      -4.494  -6.142  -0.408  1.00  0.00           O
ATOM      0  H   TYR A  25      -3.960  -0.490  -0.026  1.00  0.00           H   new
ATOM      0  HA  TYR A  25      -2.644   0.450   2.502  1.00  0.00           H   new
ATOM      0  HB2 TYR A  25      -3.255  -1.645   3.601  1.00  0.00           H   new
ATOM      0  HB3 TYR A  25      -4.751  -1.002   2.954  1.00  0.00           H   new
ATOM      0  HD1 TYR A  25      -5.757  -1.960   0.890  1.00  0.00           H   new
ATOM      0  HD2 TYR A  25      -2.209  -3.639   2.638  1.00  0.00           H   new
ATOM      0  HE1 TYR A  25      -6.070  -4.023  -0.450  1.00  0.00           H   new
ATOM      0  HE2 TYR A  25      -2.527  -5.703   1.300  1.00  0.00           H   new
ATOM      0  HH  TYR A  25      -3.772  -6.775  -0.210  1.00  0.00           H   new
ATOM    355  N   CYS A  26      -0.743  -1.258   2.067  1.00  0.00           N
ATOM    356  CA  CYS A  26       0.508  -1.881   1.543  1.00  0.00           C
ATOM    357  C   CYS A  26       0.579  -3.343   1.986  1.00  0.00           C
ATOM    358  O   CYS A  26       0.610  -3.642   3.164  1.00  0.00           O
ATOM    359  CB  CYS A  26       1.658  -1.075   2.168  1.00  0.00           C
ATOM    360  SG  CYS A  26       1.213   0.682   2.247  1.00  0.00           S
ATOM      0  H   CYS A  26      -0.739  -1.055   3.067  1.00  0.00           H   new
ATOM      0  HA  CYS A  26       0.553  -1.866   0.454  1.00  0.00           H   new
ATOM      0  HB2 CYS A  26       1.874  -1.449   3.169  1.00  0.00           H   new
ATOM      0  HB3 CYS A  26       2.565  -1.203   1.578  1.00  0.00           H   new
ATOM    365  N   SER A  27       0.585  -4.257   1.058  1.00  0.00           N
ATOM    366  CA  SER A  27       0.629  -5.691   1.433  1.00  0.00           C
ATOM    367  C   SER A  27       2.072  -6.202   1.451  1.00  0.00           C
ATOM    368  O   SER A  27       2.878  -5.823   0.623  1.00  0.00           O
ATOM    369  CB  SER A  27      -0.169  -6.390   0.344  1.00  0.00           C
ATOM    370  OG  SER A  27      -1.108  -5.479  -0.210  1.00  0.00           O
ATOM      0  H   SER A  27       0.561  -4.070   0.056  1.00  0.00           H   new
ATOM      0  HA  SER A  27       0.225  -5.872   2.429  1.00  0.00           H   new
ATOM      0  HB2 SER A  27       0.500  -6.758  -0.434  1.00  0.00           H   new
ATOM      0  HB3 SER A  27      -0.686  -7.257   0.756  1.00  0.00           H   new
ATOM      0  HG  SER A  27      -1.480  -4.919   0.503  1.00  0.00           H   new
ATOM    376  N   PRO A  28       2.343  -7.057   2.399  1.00  0.00           N
ATOM    377  CA  PRO A  28       3.693  -7.643   2.534  1.00  0.00           C
ATOM    378  C   PRO A  28       3.921  -8.716   1.463  1.00  0.00           C
ATOM    379  O   PRO A  28       3.147  -9.642   1.324  1.00  0.00           O
ATOM    380  CB  PRO A  28       3.680  -8.267   3.924  1.00  0.00           C
ATOM    381  CG  PRO A  28       2.233  -8.541   4.219  1.00  0.00           C
ATOM    382  CD  PRO A  28       1.418  -7.544   3.426  1.00  0.00           C
ATOM      0  HA  PRO A  28       4.489  -6.909   2.408  1.00  0.00           H   new
ATOM      0  HB2 PRO A  28       4.268  -9.185   3.949  1.00  0.00           H   new
ATOM      0  HB3 PRO A  28       4.112  -7.592   4.663  1.00  0.00           H   new
ATOM      0  HG2 PRO A  28       1.970  -9.561   3.940  1.00  0.00           H   new
ATOM      0  HG3 PRO A  28       2.032  -8.440   5.286  1.00  0.00           H   new
ATOM      0  HD2 PRO A  28       0.540  -8.012   2.981  1.00  0.00           H   new
ATOM      0  HD3 PRO A  28       1.060  -6.731   4.057  1.00  0.00           H   new
ATOM    390  N   PHE A  29       4.979  -8.599   0.708  1.00  0.00           N
ATOM    391  CA  PHE A  29       5.256  -9.615  -0.350  1.00  0.00           C
ATOM    392  C   PHE A  29       6.646 -10.226  -0.148  1.00  0.00           C
ATOM    393  O   PHE A  29       7.648  -9.541  -0.201  1.00  0.00           O
ATOM    394  CB  PHE A  29       5.198  -8.840  -1.667  1.00  0.00           C
ATOM    395  CG  PHE A  29       6.364  -7.885  -1.741  1.00  0.00           C
ATOM    396  CD1 PHE A  29       6.312  -6.664  -1.059  1.00  0.00           C
ATOM    397  CD2 PHE A  29       7.497  -8.220  -2.493  1.00  0.00           C
ATOM    398  CE1 PHE A  29       7.394  -5.778  -1.127  1.00  0.00           C
ATOM    399  CE2 PHE A  29       8.579  -7.333  -2.561  1.00  0.00           C
ATOM    400  CZ  PHE A  29       8.528  -6.112  -1.878  1.00  0.00           C
ATOM      0  H   PHE A  29       5.663  -7.846   0.777  1.00  0.00           H   new
ATOM      0  HA  PHE A  29       4.542 -10.438  -0.328  1.00  0.00           H   new
ATOM      0  HB2 PHE A  29       5.226  -9.531  -2.509  1.00  0.00           H   new
ATOM      0  HB3 PHE A  29       4.259  -8.291  -1.737  1.00  0.00           H   new
ATOM      0  HD1 PHE A  29       5.438  -6.405  -0.480  1.00  0.00           H   new
ATOM      0  HD2 PHE A  29       7.536  -9.162  -3.020  1.00  0.00           H   new
ATOM      0  HE1 PHE A  29       7.354  -4.836  -0.600  1.00  0.00           H   new
ATOM      0  HE2 PHE A  29       9.453  -7.591  -3.141  1.00  0.00           H   new
ATOM      0  HZ  PHE A  29       9.362  -5.428  -1.930  1.00  0.00           H   new
ATOM    410  N   SER A  30       6.713 -11.508   0.080  1.00  0.00           N
ATOM    411  CA  SER A  30       8.039 -12.163   0.283  1.00  0.00           C
ATOM    412  C   SER A  30       8.722 -11.605   1.535  1.00  0.00           C
ATOM    413  O   SER A  30       8.303 -10.557   1.999  1.00  0.00           O
ATOM    414  CB  SER A  30       8.845 -11.813  -0.967  1.00  0.00           C
ATOM    415  OG  SER A  30       7.955 -11.522  -2.037  1.00  0.00           O
ATOM    416  OXT SER A  30       9.654 -12.235   2.008  1.00  0.00           O
ATOM      0  H   SER A  30       5.908 -12.132   0.135  1.00  0.00           H   new
ATOM      0  HA  SER A  30       7.950 -13.240   0.425  1.00  0.00           H   new
ATOM      0  HB2 SER A  30       9.488 -10.955  -0.770  1.00  0.00           H   new
ATOM      0  HB3 SER A  30       9.497 -12.644  -1.237  1.00  0.00           H   new
ATOM      0  HG  SER A  30       8.471 -11.296  -2.839  1.00  0.00           H   new
TER     422      SER A  30