USER  MOD reduce.3.24.130724 H: found=0, std=0, add=195, rem=0, adj=9
USER  MOD reduce.3.24.130724 removed 194 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 SER OG  :   rot -104:sc=   0.692
USER  MOD Set 1.2: A  25 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   1 VAL N   :NH3+   -100:sc=    -1.8!  (180deg=-2.68!)
USER  MOD Single : A   3 HIS     :     no HD1:sc=      -1  K(o=-1,f=-2.1!)
USER  MOD Single : A   8 THR OG1 :   rot -140:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot   90:sc=    1.44
USER  MOD Single : A  15 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  19 SER OG  :   rot  126:sc=   0.905
USER  MOD Single : A  21 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  27 SER OG  :   rot  180:sc=  -0.567
USER  MOD -----------------------------------------------------------------
ATOM      1  N   VAL A   1       9.124   5.787   2.270  1.00  0.00           N
ATOM      2  CA  VAL A   1       7.864   5.030   2.007  1.00  0.00           C
ATOM      3  C   VAL A   1       7.562   5.008   0.506  1.00  0.00           C
ATOM      4  O   VAL A   1       7.933   5.904  -0.225  1.00  0.00           O
ATOM      5  CB  VAL A   1       6.776   5.797   2.760  1.00  0.00           C
ATOM      6  CG1 VAL A   1       7.064   5.752   4.262  1.00  0.00           C
ATOM      7  CG2 VAL A   1       6.759   7.252   2.287  1.00  0.00           C
ATOM      0  H1  VAL A   1       9.909   5.118   2.407  1.00  0.00           H   new
ATOM      0  H2  VAL A   1       9.333   6.405   1.460  1.00  0.00           H   new
ATOM      0  H3  VAL A   1       9.009   6.366   3.126  1.00  0.00           H   new
ATOM      0  HA  VAL A   1       7.932   3.992   2.333  1.00  0.00           H   new
ATOM      0  HB  VAL A   1       5.807   5.339   2.563  1.00  0.00           H   new
ATOM      0 HG11 VAL A   1       6.288   6.299   4.798  1.00  0.00           H   new
ATOM      0 HG12 VAL A   1       7.076   4.716   4.599  1.00  0.00           H   new
ATOM      0 HG13 VAL A   1       8.033   6.209   4.460  1.00  0.00           H   new
ATOM      0 HG21 VAL A   1       5.984   7.800   2.823  1.00  0.00           H   new
ATOM      0 HG22 VAL A   1       7.729   7.710   2.483  1.00  0.00           H   new
ATOM      0 HG23 VAL A   1       6.552   7.284   1.217  1.00  0.00           H   new
ATOM     19  N   ILE A   2       6.890   3.990   0.041  1.00  0.00           N
ATOM     20  CA  ILE A   2       6.565   3.913  -1.412  1.00  0.00           C
ATOM     21  C   ILE A   2       5.249   4.642  -1.701  1.00  0.00           C
ATOM     22  O   ILE A   2       4.498   4.967  -0.802  1.00  0.00           O
ATOM     23  CB  ILE A   2       6.426   2.420  -1.708  1.00  0.00           C
ATOM     24  CG1 ILE A   2       7.808   1.763  -1.670  1.00  0.00           C
ATOM     25  CG2 ILE A   2       5.811   2.230  -3.096  1.00  0.00           C
ATOM     26  CD1 ILE A   2       7.876   0.786  -0.497  1.00  0.00           C
ATOM      0  H   ILE A   2       6.552   3.209   0.604  1.00  0.00           H   new
ATOM      0  HA  ILE A   2       7.330   4.382  -2.031  1.00  0.00           H   new
ATOM      0  HB  ILE A   2       5.782   1.959  -0.959  1.00  0.00           H   new
ATOM      0 HG12 ILE A   2       7.999   1.238  -2.606  1.00  0.00           H   new
ATOM      0 HG13 ILE A   2       8.582   2.524  -1.568  1.00  0.00           H   new
ATOM      0 HG21 ILE A   2       5.712   1.165  -3.307  1.00  0.00           H   new
ATOM      0 HG22 ILE A   2       4.828   2.699  -3.125  1.00  0.00           H   new
ATOM      0 HG23 ILE A   2       6.455   2.690  -3.845  1.00  0.00           H   new
ATOM      0 HD11 ILE A   2       8.860   0.318  -0.470  1.00  0.00           H   new
ATOM      0 HD12 ILE A   2       7.704   1.324   0.435  1.00  0.00           H   new
ATOM      0 HD13 ILE A   2       7.112   0.018  -0.619  1.00  0.00           H   new
ATOM     38  N   HIS A   3       4.964   4.902  -2.948  1.00  0.00           N
ATOM     39  CA  HIS A   3       3.698   5.612  -3.292  1.00  0.00           C
ATOM     40  C   HIS A   3       3.096   5.033  -4.576  1.00  0.00           C
ATOM     41  O   HIS A   3       3.770   4.383  -5.351  1.00  0.00           O
ATOM     42  CB  HIS A   3       4.109   7.068  -3.504  1.00  0.00           C
ATOM     43  CG  HIS A   3       3.882   7.842  -2.235  1.00  0.00           C
ATOM     44  ND1 HIS A   3       2.617   8.233  -1.824  1.00  0.00           N
ATOM     45  CD2 HIS A   3       4.747   8.304  -1.275  1.00  0.00           C
ATOM     46  CE1 HIS A   3       2.757   8.900  -0.663  1.00  0.00           C
ATOM     47  NE2 HIS A   3       4.036   8.971  -0.284  1.00  0.00           N
ATOM      0  H   HIS A   3       5.552   4.654  -3.743  1.00  0.00           H   new
ATOM      0  HA  HIS A   3       2.942   5.509  -2.513  1.00  0.00           H   new
ATOM      0  HB2 HIS A   3       5.159   7.122  -3.793  1.00  0.00           H   new
ATOM      0  HB3 HIS A   3       3.531   7.506  -4.318  1.00  0.00           H   new
ATOM      0  HD2 HIS A   3       5.819   8.170  -1.288  1.00  0.00           H   new
ATOM      0  HE1 HIS A   3       1.935   9.326  -0.106  1.00  0.00           H   new
ATOM      0  HE2 HIS A   3       4.410   9.418   0.553  1.00  0.00           H   new
ATOM     55  N   CYS A   4       1.832   5.264  -4.808  1.00  0.00           N
ATOM     56  CA  CYS A   4       1.189   4.726  -6.042  1.00  0.00           C
ATOM     57  C   CYS A   4      -0.107   5.486  -6.339  1.00  0.00           C
ATOM     58  O   CYS A   4      -0.443   5.738  -7.480  1.00  0.00           O
ATOM     59  CB  CYS A   4       0.891   3.260  -5.726  1.00  0.00           C
ATOM     60  SG  CYS A   4      -0.206   3.162  -4.290  1.00  0.00           S
ATOM      0  H   CYS A   4       1.217   5.802  -4.197  1.00  0.00           H   new
ATOM      0  HA  CYS A   4       1.827   4.833  -6.920  1.00  0.00           H   new
ATOM      0  HB2 CYS A   4       0.425   2.779  -6.586  1.00  0.00           H   new
ATOM      0  HB3 CYS A   4       1.819   2.724  -5.525  1.00  0.00           H   new
ATOM     65  N   ASP A   5      -0.836   5.857  -5.321  1.00  0.00           N
ATOM     66  CA  ASP A   5      -2.107   6.605  -5.548  1.00  0.00           C
ATOM     67  C   ASP A   5      -1.854   8.113  -5.469  1.00  0.00           C
ATOM     68  O   ASP A   5      -1.750   8.788  -6.474  1.00  0.00           O
ATOM     69  CB  ASP A   5      -3.035   6.160  -4.416  1.00  0.00           C
ATOM     70  CG  ASP A   5      -3.525   4.736  -4.687  1.00  0.00           C
ATOM     71  OD1 ASP A   5      -4.412   4.582  -5.510  1.00  0.00           O
ATOM     72  OD2 ASP A   5      -3.004   3.823  -4.066  1.00  0.00           O
ATOM      0  H   ASP A   5      -0.607   5.675  -4.344  1.00  0.00           H   new
ATOM      0  HA  ASP A   5      -2.534   6.404  -6.530  1.00  0.00           H   new
ATOM      0  HB2 ASP A   5      -2.508   6.199  -3.463  1.00  0.00           H   new
ATOM      0  HB3 ASP A   5      -3.884   6.839  -4.339  1.00  0.00           H   new
ATOM     77  N   ALA A   6      -1.752   8.645  -4.282  1.00  0.00           N
ATOM     78  CA  ALA A   6      -1.504  10.108  -4.138  1.00  0.00           C
ATOM     79  C   ALA A   6      -1.629  10.522  -2.669  1.00  0.00           C
ATOM     80  O   ALA A   6      -0.968  11.433  -2.212  1.00  0.00           O
ATOM     81  CB  ALA A   6      -2.592  10.778  -4.977  1.00  0.00           C
ATOM      0  H   ALA A   6      -1.830   8.130  -3.405  1.00  0.00           H   new
ATOM      0  HA  ALA A   6      -0.504  10.392  -4.465  1.00  0.00           H   new
ATOM      0  HB1 ALA A   6      -2.478  11.861  -4.923  1.00  0.00           H   new
ATOM      0  HB2 ALA A   6      -2.502  10.455  -6.014  1.00  0.00           H   new
ATOM      0  HB3 ALA A   6      -3.573  10.497  -4.593  1.00  0.00           H   new
ATOM     87  N   ALA A   7      -2.472   9.857  -1.927  1.00  0.00           N
ATOM     88  CA  ALA A   7      -2.639  10.210  -0.488  1.00  0.00           C
ATOM     89  C   ALA A   7      -2.093   9.087   0.398  1.00  0.00           C
ATOM     90  O   ALA A   7      -1.169   9.281   1.163  1.00  0.00           O
ATOM     91  CB  ALA A   7      -4.147  10.359  -0.292  1.00  0.00           C
ATOM      0  H   ALA A   7      -3.052   9.085  -2.255  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -2.100  11.118  -0.219  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -4.355  10.619   0.746  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -4.523  11.146  -0.946  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -4.640   9.418  -0.536  1.00  0.00           H   new
ATOM     97  N   THR A   8      -2.655   7.913   0.299  1.00  0.00           N
ATOM     98  CA  THR A   8      -2.165   6.779   1.134  1.00  0.00           C
ATOM     99  C   THR A   8      -0.664   6.575   0.917  1.00  0.00           C
ATOM    100  O   THR A   8      -0.137   6.854  -0.142  1.00  0.00           O
ATOM    101  CB  THR A   8      -2.949   5.561   0.643  1.00  0.00           C
ATOM    102  OG1 THR A   8      -4.285   5.635   1.120  1.00  0.00           O
ATOM    103  CG2 THR A   8      -2.289   4.284   1.166  1.00  0.00           C
ATOM      0  H   THR A   8      -3.432   7.690  -0.323  1.00  0.00           H   new
ATOM      0  HA  THR A   8      -2.311   6.955   2.200  1.00  0.00           H   new
ATOM      0  HB  THR A   8      -2.953   5.546  -0.447  1.00  0.00           H   new
ATOM      0  HG1 THR A   8      -4.585   4.743   1.392  1.00  0.00           H   new
ATOM      0 HG21 THR A   8      -2.848   3.416   0.816  1.00  0.00           H   new
ATOM      0 HG22 THR A   8      -1.264   4.228   0.799  1.00  0.00           H   new
ATOM      0 HG23 THR A   8      -2.284   4.297   2.256  1.00  0.00           H   new
ATOM    111  N   ILE A   9       0.029   6.091   1.910  1.00  0.00           N
ATOM    112  CA  ILE A   9       1.497   5.873   1.755  1.00  0.00           C
ATOM    113  C   ILE A   9       1.837   4.395   1.957  1.00  0.00           C
ATOM    114  O   ILE A   9       1.001   3.602   2.343  1.00  0.00           O
ATOM    115  CB  ILE A   9       2.149   6.723   2.850  1.00  0.00           C
ATOM    116  CG1 ILE A   9       1.431   8.072   2.951  1.00  0.00           C
ATOM    117  CG2 ILE A   9       3.619   6.956   2.504  1.00  0.00           C
ATOM    118  CD1 ILE A   9       2.046   8.892   4.087  1.00  0.00           C
ATOM      0  H   ILE A   9      -0.355   5.837   2.820  1.00  0.00           H   new
ATOM      0  HA  ILE A   9       1.848   6.150   0.761  1.00  0.00           H   new
ATOM      0  HB  ILE A   9       2.075   6.201   3.804  1.00  0.00           H   new
ATOM      0 HG12 ILE A   9       1.517   8.614   2.009  1.00  0.00           H   new
ATOM      0 HG13 ILE A   9       0.368   7.918   3.134  1.00  0.00           H   new
ATOM      0 HG21 ILE A   9       4.085   7.561   3.282  1.00  0.00           H   new
ATOM      0 HG22 ILE A   9       4.133   5.997   2.434  1.00  0.00           H   new
ATOM      0 HG23 ILE A   9       3.690   7.477   1.549  1.00  0.00           H   new
ATOM      0 HD11 ILE A   9       1.536   9.852   4.160  1.00  0.00           H   new
ATOM      0 HD12 ILE A   9       1.937   8.351   5.027  1.00  0.00           H   new
ATOM      0 HD13 ILE A   9       3.104   9.058   3.885  1.00  0.00           H   new
ATOM    130  N   CYS A  10       3.059   4.019   1.702  1.00  0.00           N
ATOM    131  CA  CYS A  10       3.453   2.594   1.882  1.00  0.00           C
ATOM    132  C   CYS A  10       4.754   2.503   2.684  1.00  0.00           C
ATOM    133  O   CYS A  10       5.682   3.252   2.451  1.00  0.00           O
ATOM    134  CB  CYS A  10       3.660   2.060   0.465  1.00  0.00           C
ATOM    135  SG  CYS A  10       4.393   0.407   0.545  1.00  0.00           S
ATOM      0  H   CYS A  10       3.802   4.637   1.377  1.00  0.00           H   new
ATOM      0  HA  CYS A  10       2.702   2.023   2.428  1.00  0.00           H   new
ATOM      0  HB2 CYS A  10       2.708   2.022  -0.064  1.00  0.00           H   new
ATOM      0  HB3 CYS A  10       4.310   2.731  -0.097  1.00  0.00           H   new
ATOM    140  N   PRO A  11       4.774   1.583   3.609  1.00  0.00           N
ATOM    141  CA  PRO A  11       5.968   1.389   4.460  1.00  0.00           C
ATOM    142  C   PRO A  11       7.101   0.742   3.658  1.00  0.00           C
ATOM    143  O   PRO A  11       7.108   0.766   2.443  1.00  0.00           O
ATOM    144  CB  PRO A  11       5.481   0.454   5.561  1.00  0.00           C
ATOM    145  CG  PRO A  11       4.314  -0.274   4.964  1.00  0.00           C
ATOM    146  CD  PRO A  11       3.696   0.649   3.940  1.00  0.00           C
ATOM      0  HA  PRO A  11       6.368   2.325   4.850  1.00  0.00           H   new
ATOM      0  HB2 PRO A  11       6.265  -0.239   5.865  1.00  0.00           H   new
ATOM      0  HB3 PRO A  11       5.186   1.011   6.450  1.00  0.00           H   new
ATOM      0  HG2 PRO A  11       4.637  -1.205   4.499  1.00  0.00           H   new
ATOM      0  HG3 PRO A  11       3.589  -0.537   5.734  1.00  0.00           H   new
ATOM      0  HD2 PRO A  11       3.359   0.101   3.060  1.00  0.00           H   new
ATOM      0  HD3 PRO A  11       2.827   1.169   4.344  1.00  0.00           H   new
ATOM    154  N   ASP A  12       8.062   0.168   4.329  1.00  0.00           N
ATOM    155  CA  ASP A  12       9.197  -0.475   3.607  1.00  0.00           C
ATOM    156  C   ASP A  12       8.948  -1.978   3.451  1.00  0.00           C
ATOM    157  O   ASP A  12       8.299  -2.598   4.269  1.00  0.00           O
ATOM    158  CB  ASP A  12      10.416  -0.225   4.492  1.00  0.00           C
ATOM    159  CG  ASP A  12      10.678   1.279   4.587  1.00  0.00           C
ATOM    160  OD1 ASP A  12       9.723   2.017   4.767  1.00  0.00           O
ATOM    161  OD2 ASP A  12      11.829   1.668   4.478  1.00  0.00           O
ATOM      0  H   ASP A  12       8.110   0.116   5.347  1.00  0.00           H   new
ATOM      0  HA  ASP A  12       9.328  -0.072   2.603  1.00  0.00           H   new
ATOM      0  HB2 ASP A  12      10.248  -0.639   5.486  1.00  0.00           H   new
ATOM      0  HB3 ASP A  12      11.288  -0.731   4.079  1.00  0.00           H   new
ATOM    166  N   GLY A  13       9.462  -2.568   2.406  1.00  0.00           N
ATOM    167  CA  GLY A  13       9.258  -4.030   2.199  1.00  0.00           C
ATOM    168  C   GLY A  13       7.772  -4.312   1.971  1.00  0.00           C
ATOM    169  O   GLY A  13       7.178  -5.136   2.638  1.00  0.00           O
ATOM      0  H   GLY A  13      10.014  -2.101   1.687  1.00  0.00           H   new
ATOM      0  HA2 GLY A  13       9.839  -4.371   1.342  1.00  0.00           H   new
ATOM      0  HA3 GLY A  13       9.615  -4.584   3.067  1.00  0.00           H   new
ATOM    173  N   THR A  14       7.165  -3.636   1.033  1.00  0.00           N
ATOM    174  CA  THR A  14       5.717  -3.871   0.766  1.00  0.00           C
ATOM    175  C   THR A  14       5.349  -3.389  -0.640  1.00  0.00           C
ATOM    176  O   THR A  14       6.131  -2.745  -1.311  1.00  0.00           O
ATOM    177  CB  THR A  14       4.981  -3.046   1.822  1.00  0.00           C
ATOM    178  OG1 THR A  14       5.739  -1.885   2.128  1.00  0.00           O
ATOM    179  CG2 THR A  14       4.795  -3.884   3.088  1.00  0.00           C
ATOM      0  H   THR A  14       7.608  -2.933   0.441  1.00  0.00           H   new
ATOM      0  HA  THR A  14       5.456  -4.928   0.817  1.00  0.00           H   new
ATOM      0  HB  THR A  14       4.005  -2.751   1.437  1.00  0.00           H   new
ATOM      0  HG1 THR A  14       5.474  -1.155   1.531  1.00  0.00           H   new
ATOM      0 HG21 THR A  14       4.270  -3.295   3.840  1.00  0.00           H   new
ATOM      0 HG22 THR A  14       4.212  -4.774   2.853  1.00  0.00           H   new
ATOM      0 HG23 THR A  14       5.770  -4.181   3.475  1.00  0.00           H   new
ATOM    187  N   THR A  15       4.163  -3.696  -1.088  1.00  0.00           N
ATOM    188  CA  THR A  15       3.741  -3.256  -2.449  1.00  0.00           C
ATOM    189  C   THR A  15       2.359  -2.596  -2.388  1.00  0.00           C
ATOM    190  O   THR A  15       1.437  -3.120  -1.796  1.00  0.00           O
ATOM    191  CB  THR A  15       3.686  -4.542  -3.275  1.00  0.00           C
ATOM    192  OG1 THR A  15       3.413  -4.223  -4.632  1.00  0.00           O
ATOM    193  CG2 THR A  15       2.583  -5.452  -2.732  1.00  0.00           C
ATOM      0  H   THR A  15       3.467  -4.233  -0.571  1.00  0.00           H   new
ATOM      0  HA  THR A  15       4.423  -2.522  -2.878  1.00  0.00           H   new
ATOM      0  HB  THR A  15       4.645  -5.056  -3.209  1.00  0.00           H   new
ATOM      0  HG1 THR A  15       3.380  -5.047  -5.161  1.00  0.00           H   new
ATOM      0 HG21 THR A  15       2.544  -6.368  -3.321  1.00  0.00           H   new
ATOM      0 HG22 THR A  15       2.794  -5.698  -1.691  1.00  0.00           H   new
ATOM      0 HG23 THR A  15       1.624  -4.939  -2.796  1.00  0.00           H   new
ATOM    201  N   CYS A  16       2.211  -1.450  -2.995  1.00  0.00           N
ATOM    202  CA  CYS A  16       0.890  -0.757  -2.969  1.00  0.00           C
ATOM    203  C   CYS A  16      -0.211  -1.693  -3.475  1.00  0.00           C
ATOM    204  O   CYS A  16      -0.070  -2.339  -4.495  1.00  0.00           O
ATOM    205  CB  CYS A  16       1.051   0.436  -3.911  1.00  0.00           C
ATOM    206  SG  CYS A  16       0.784   1.972  -2.991  1.00  0.00           S
ATOM      0  H   CYS A  16       2.947  -0.963  -3.508  1.00  0.00           H   new
ATOM      0  HA  CYS A  16       0.606  -0.449  -1.963  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16       2.048   0.433  -4.352  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16       0.338   0.363  -4.733  1.00  0.00           H   new
ATOM    211  N   SER A  17      -1.306  -1.771  -2.771  1.00  0.00           N
ATOM    212  CA  SER A  17      -2.414  -2.664  -3.212  1.00  0.00           C
ATOM    213  C   SER A  17      -3.758  -2.125  -2.716  1.00  0.00           C
ATOM    214  O   SER A  17      -3.824  -1.369  -1.764  1.00  0.00           O
ATOM    215  CB  SER A  17      -2.110  -4.015  -2.569  1.00  0.00           C
ATOM    216  OG  SER A  17      -3.330  -4.658  -2.224  1.00  0.00           O
ATOM      0  H   SER A  17      -1.482  -1.255  -1.909  1.00  0.00           H   new
ATOM      0  HA  SER A  17      -2.482  -2.734  -4.298  1.00  0.00           H   new
ATOM      0  HB2 SER A  17      -1.540  -4.638  -3.258  1.00  0.00           H   new
ATOM      0  HB3 SER A  17      -1.495  -3.877  -1.680  1.00  0.00           H   new
ATOM      0  HG  SER A  17      -3.470  -4.597  -1.256  1.00  0.00           H   new
ATOM    222  N   LEU A  18      -4.830  -2.506  -3.355  1.00  0.00           N
ATOM    223  CA  LEU A  18      -6.170  -2.016  -2.923  1.00  0.00           C
ATOM    224  C   LEU A  18      -6.937  -3.130  -2.208  1.00  0.00           C
ATOM    225  O   LEU A  18      -6.955  -4.264  -2.644  1.00  0.00           O
ATOM    226  CB  LEU A  18      -6.885  -1.626  -4.219  1.00  0.00           C
ATOM    227  CG  LEU A  18      -7.664  -0.323  -4.007  1.00  0.00           C
ATOM    228  CD1 LEU A  18      -8.677  -0.146  -5.138  1.00  0.00           C
ATOM    229  CD2 LEU A  18      -8.404  -0.376  -2.667  1.00  0.00           C
ATOM      0  H   LEU A  18      -4.836  -3.135  -4.158  1.00  0.00           H   new
ATOM      0  HA  LEU A  18      -6.098  -1.181  -2.226  1.00  0.00           H   new
ATOM      0  HB2 LEU A  18      -6.159  -1.501  -5.023  1.00  0.00           H   new
ATOM      0  HB3 LEU A  18      -7.564  -2.422  -4.525  1.00  0.00           H   new
ATOM      0  HG  LEU A  18      -6.968   0.516  -4.003  1.00  0.00           H   new
ATOM      0 HD11 LEU A  18      -9.232   0.780  -4.988  1.00  0.00           H   new
ATOM      0 HD12 LEU A  18      -8.153  -0.105  -6.093  1.00  0.00           H   new
ATOM      0 HD13 LEU A  18      -9.370  -0.987  -5.141  1.00  0.00           H   new
ATOM      0 HD21 LEU A  18      -8.957   0.552  -2.520  1.00  0.00           H   new
ATOM      0 HD22 LEU A  18      -9.099  -1.216  -2.668  1.00  0.00           H   new
ATOM      0 HD23 LEU A  18      -7.684  -0.502  -1.858  1.00  0.00           H   new
ATOM    241  N   SER A  19      -7.573  -2.816  -1.114  1.00  0.00           N
ATOM    242  CA  SER A  19      -8.339  -3.855  -0.374  1.00  0.00           C
ATOM    243  C   SER A  19      -9.680  -4.115  -1.064  1.00  0.00           C
ATOM    244  O   SER A  19     -10.113  -3.343  -1.897  1.00  0.00           O
ATOM    245  CB  SER A  19      -8.557  -3.265   1.017  1.00  0.00           C
ATOM    246  OG  SER A  19      -9.892  -2.785   1.124  1.00  0.00           O
ATOM      0  H   SER A  19      -7.595  -1.884  -0.701  1.00  0.00           H   new
ATOM      0  HA  SER A  19      -7.813  -4.809  -0.335  1.00  0.00           H   new
ATOM      0  HB2 SER A  19      -8.369  -4.022   1.778  1.00  0.00           H   new
ATOM      0  HB3 SER A  19      -7.852  -2.453   1.194  1.00  0.00           H   new
ATOM      0  HG  SER A  19     -10.320  -3.182   1.911  1.00  0.00           H   new
ATOM    252  N   PRO A  20     -10.295  -5.199  -0.685  1.00  0.00           N
ATOM    253  CA  PRO A  20     -11.598  -5.576  -1.271  1.00  0.00           C
ATOM    254  C   PRO A  20     -12.680  -4.603  -0.810  1.00  0.00           C
ATOM    255  O   PRO A  20     -13.773  -4.577  -1.338  1.00  0.00           O
ATOM    256  CB  PRO A  20     -11.848  -6.979  -0.728  1.00  0.00           C
ATOM    257  CG  PRO A  20     -11.032  -7.060   0.526  1.00  0.00           C
ATOM    258  CD  PRO A  20      -9.840  -6.152   0.326  1.00  0.00           C
ATOM      0  HA  PRO A  20     -11.607  -5.548  -2.361  1.00  0.00           H   new
ATOM      0  HB2 PRO A  20     -12.906  -7.140  -0.521  1.00  0.00           H   new
ATOM      0  HB3 PRO A  20     -11.544  -7.740  -1.447  1.00  0.00           H   new
ATOM      0  HG2 PRO A  20     -11.618  -6.746   1.390  1.00  0.00           H   new
ATOM      0  HG3 PRO A  20     -10.711  -8.085   0.714  1.00  0.00           H   new
ATOM      0  HD2 PRO A  20      -9.560  -5.650   1.252  1.00  0.00           H   new
ATOM      0  HD3 PRO A  20      -8.966  -6.708  -0.013  1.00  0.00           H   new
ATOM    266  N   TYR A  21     -12.373  -3.788   0.158  1.00  0.00           N
ATOM    267  CA  TYR A  21     -13.372  -2.797   0.643  1.00  0.00           C
ATOM    268  C   TYR A  21     -13.050  -1.418   0.061  1.00  0.00           C
ATOM    269  O   TYR A  21     -13.672  -0.430   0.397  1.00  0.00           O
ATOM    270  CB  TYR A  21     -13.222  -2.782   2.171  1.00  0.00           C
ATOM    271  CG  TYR A  21     -12.915  -4.177   2.672  1.00  0.00           C
ATOM    272  CD1 TYR A  21     -13.768  -5.240   2.353  1.00  0.00           C
ATOM    273  CD2 TYR A  21     -11.777  -4.403   3.455  1.00  0.00           C
ATOM    274  CE1 TYR A  21     -13.482  -6.530   2.816  1.00  0.00           C
ATOM    275  CE2 TYR A  21     -11.490  -5.693   3.918  1.00  0.00           C
ATOM    276  CZ  TYR A  21     -12.343  -6.756   3.599  1.00  0.00           C
ATOM    277  OH  TYR A  21     -12.060  -8.028   4.056  1.00  0.00           O
ATOM      0  H   TYR A  21     -11.472  -3.765   0.635  1.00  0.00           H   new
ATOM      0  HA  TYR A  21     -14.389  -3.051   0.343  1.00  0.00           H   new
ATOM      0  HB2 TYR A  21     -12.424  -2.098   2.460  1.00  0.00           H   new
ATOM      0  HB3 TYR A  21     -14.139  -2.414   2.632  1.00  0.00           H   new
ATOM      0  HD1 TYR A  21     -14.647  -5.065   1.750  1.00  0.00           H   new
ATOM      0  HD2 TYR A  21     -11.120  -3.582   3.702  1.00  0.00           H   new
ATOM      0  HE1 TYR A  21     -14.140  -7.351   2.569  1.00  0.00           H   new
ATOM      0  HE2 TYR A  21     -10.611  -5.868   4.521  1.00  0.00           H   new
ATOM      0  HH  TYR A  21     -11.234  -8.010   4.583  1.00  0.00           H   new
ATOM    287  N   GLY A  22     -12.073  -1.345  -0.808  1.00  0.00           N
ATOM    288  CA  GLY A  22     -11.705  -0.032  -1.406  1.00  0.00           C
ATOM    289  C   GLY A  22     -10.703   0.676  -0.494  1.00  0.00           C
ATOM    290  O   GLY A  22     -10.543   1.879  -0.546  1.00  0.00           O
ATOM      0  H   GLY A  22     -11.517  -2.138  -1.127  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.273  -0.179  -2.396  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -12.595   0.584  -1.535  1.00  0.00           H   new
ATOM    294  N   VAL A  23     -10.029  -0.062   0.344  1.00  0.00           N
ATOM    295  CA  VAL A  23      -9.038   0.567   1.262  1.00  0.00           C
ATOM    296  C   VAL A  23      -7.639   0.523   0.643  1.00  0.00           C
ATOM    297  O   VAL A  23      -7.131  -0.528   0.306  1.00  0.00           O
ATOM    298  CB  VAL A  23      -9.088  -0.280   2.533  1.00  0.00           C
ATOM    299  CG1 VAL A  23      -8.122   0.297   3.568  1.00  0.00           C
ATOM    300  CG2 VAL A  23     -10.509  -0.265   3.099  1.00  0.00           C
ATOM      0  H   VAL A  23     -10.122  -1.074   0.433  1.00  0.00           H   new
ATOM      0  HA  VAL A  23      -9.264   1.615   1.459  1.00  0.00           H   new
ATOM      0  HB  VAL A  23      -8.800  -1.305   2.299  1.00  0.00           H   new
ATOM      0 HG11 VAL A  23      -8.157  -0.307   4.475  1.00  0.00           H   new
ATOM      0 HG12 VAL A  23      -7.109   0.288   3.165  1.00  0.00           H   new
ATOM      0 HG13 VAL A  23      -8.410   1.322   3.803  1.00  0.00           H   new
ATOM      0 HG21 VAL A  23     -10.546  -0.869   4.006  1.00  0.00           H   new
ATOM      0 HG22 VAL A  23     -10.796   0.760   3.334  1.00  0.00           H   new
ATOM      0 HG23 VAL A  23     -11.199  -0.675   2.361  1.00  0.00           H   new
ATOM    310  N   TRP A  24      -7.012   1.658   0.490  1.00  0.00           N
ATOM    311  CA  TRP A  24      -5.645   1.682  -0.107  1.00  0.00           C
ATOM    312  C   TRP A  24      -4.598   1.330   0.954  1.00  0.00           C
ATOM    313  O   TRP A  24      -4.590   1.881   2.037  1.00  0.00           O
ATOM    314  CB  TRP A  24      -5.451   3.120  -0.590  1.00  0.00           C
ATOM    315  CG  TRP A  24      -5.764   3.204  -2.050  1.00  0.00           C
ATOM    316  CD1 TRP A  24      -6.531   4.157  -2.625  1.00  0.00           C
ATOM    317  CD2 TRP A  24      -5.332   2.322  -3.124  1.00  0.00           C
ATOM    318  NE1 TRP A  24      -6.598   3.915  -3.986  1.00  0.00           N
ATOM    319  CE2 TRP A  24      -5.874   2.793  -4.341  1.00  0.00           C
ATOM    320  CE3 TRP A  24      -4.529   1.167  -3.159  1.00  0.00           C
ATOM    321  CZ2 TRP A  24      -5.631   2.146  -5.550  1.00  0.00           C
ATOM    322  CZ3 TRP A  24      -4.281   0.510  -4.378  1.00  0.00           C
ATOM    323  CH2 TRP A  24      -4.832   1.001  -5.571  1.00  0.00           C
ATOM      0  H   TRP A  24      -7.387   2.570   0.752  1.00  0.00           H   new
ATOM      0  HA  TRP A  24      -5.535   0.959  -0.916  1.00  0.00           H   new
ATOM      0  HB2 TRP A  24      -6.099   3.793  -0.029  1.00  0.00           H   new
ATOM      0  HB3 TRP A  24      -4.425   3.440  -0.408  1.00  0.00           H   new
ATOM      0  HD1 TRP A  24      -7.013   4.973  -2.107  1.00  0.00           H   new
ATOM      0  HE1 TRP A  24      -7.118   4.494  -4.646  1.00  0.00           H   new
ATOM      0  HE3 TRP A  24      -4.101   0.783  -2.245  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  24      -6.058   2.527  -6.466  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  24      -3.664  -0.376  -4.395  1.00  0.00           H   new
ATOM      0  HH2 TRP A  24      -4.638   0.494  -6.505  1.00  0.00           H   new
ATOM    334  N   TYR A  25      -3.713   0.419   0.652  1.00  0.00           N
ATOM    335  CA  TYR A  25      -2.667   0.039   1.647  1.00  0.00           C
ATOM    336  C   TYR A  25      -1.550  -0.755   0.967  1.00  0.00           C
ATOM    337  O   TYR A  25      -1.645  -1.111  -0.190  1.00  0.00           O
ATOM    338  CB  TYR A  25      -3.396  -0.834   2.671  1.00  0.00           C
ATOM    339  CG  TYR A  25      -3.682  -2.187   2.065  1.00  0.00           C
ATOM    340  CD1 TYR A  25      -4.869  -2.400   1.356  1.00  0.00           C
ATOM    341  CD2 TYR A  25      -2.755  -3.226   2.208  1.00  0.00           C
ATOM    342  CE1 TYR A  25      -5.131  -3.653   0.790  1.00  0.00           C
ATOM    343  CE2 TYR A  25      -3.016  -4.479   1.642  1.00  0.00           C
ATOM    344  CZ  TYR A  25      -4.204  -4.692   0.933  1.00  0.00           C
ATOM    345  OH  TYR A  25      -4.462  -5.927   0.374  1.00  0.00           O
ATOM      0  H   TYR A  25      -3.668  -0.078  -0.238  1.00  0.00           H   new
ATOM      0  HA  TYR A  25      -2.201   0.910   2.108  1.00  0.00           H   new
ATOM      0  HB2 TYR A  25      -2.787  -0.947   3.568  1.00  0.00           H   new
ATOM      0  HB3 TYR A  25      -4.327  -0.356   2.976  1.00  0.00           H   new
ATOM      0  HD1 TYR A  25      -5.583  -1.598   1.245  1.00  0.00           H   new
ATOM      0  HD2 TYR A  25      -1.839  -3.061   2.755  1.00  0.00           H   new
ATOM      0  HE1 TYR A  25      -6.048  -3.818   0.243  1.00  0.00           H   new
ATOM      0  HE2 TYR A  25      -2.301  -5.281   1.752  1.00  0.00           H   new
ATOM      0  HH  TYR A  25      -3.717  -6.535   0.565  1.00  0.00           H   new
ATOM    355  N   CYS A  26      -0.495  -1.040   1.677  1.00  0.00           N
ATOM    356  CA  CYS A  26       0.624  -1.817   1.072  1.00  0.00           C
ATOM    357  C   CYS A  26       0.674  -3.226   1.669  1.00  0.00           C
ATOM    358  O   CYS A  26       0.524  -3.412   2.860  1.00  0.00           O
ATOM    359  CB  CYS A  26       1.887  -1.037   1.432  1.00  0.00           C
ATOM    360  SG  CYS A  26       2.905  -0.823  -0.049  1.00  0.00           S
ATOM      0  H   CYS A  26      -0.358  -0.769   2.651  1.00  0.00           H   new
ATOM      0  HA  CYS A  26       0.510  -1.934  -0.006  1.00  0.00           H   new
ATOM      0  HB2 CYS A  26       1.621  -0.065   1.847  1.00  0.00           H   new
ATOM      0  HB3 CYS A  26       2.449  -1.569   2.200  1.00  0.00           H   new
ATOM    365  N   SER A  27       0.880  -4.220   0.849  1.00  0.00           N
ATOM    366  CA  SER A  27       0.934  -5.617   1.370  1.00  0.00           C
ATOM    367  C   SER A  27       2.371  -6.147   1.325  1.00  0.00           C
ATOM    368  O   SER A  27       3.136  -5.795   0.450  1.00  0.00           O
ATOM    369  CB  SER A  27       0.039  -6.420   0.428  1.00  0.00           C
ATOM    370  OG  SER A  27      -0.463  -7.561   1.113  1.00  0.00           O
ATOM      0  H   SER A  27       1.013  -4.126  -0.158  1.00  0.00           H   new
ATOM      0  HA  SER A  27       0.605  -5.684   2.407  1.00  0.00           H   new
ATOM      0  HB2 SER A  27      -0.786  -5.801   0.076  1.00  0.00           H   new
ATOM      0  HB3 SER A  27       0.603  -6.729  -0.452  1.00  0.00           H   new
ATOM      0  HG  SER A  27      -1.039  -8.077   0.511  1.00  0.00           H   new
ATOM    376  N   PRO A  28       2.685  -6.983   2.277  1.00  0.00           N
ATOM    377  CA  PRO A  28       4.039  -7.574   2.353  1.00  0.00           C
ATOM    378  C   PRO A  28       4.223  -8.633   1.263  1.00  0.00           C
ATOM    379  O   PRO A  28       3.579  -9.663   1.269  1.00  0.00           O
ATOM    380  CB  PRO A  28       4.078  -8.213   3.737  1.00  0.00           C
ATOM    381  CG  PRO A  28       2.644  -8.481   4.083  1.00  0.00           C
ATOM    382  CD  PRO A  28       1.812  -7.446   3.359  1.00  0.00           C
ATOM      0  HA  PRO A  28       4.832  -6.841   2.204  1.00  0.00           H   new
ATOM      0  HB2 PRO A  28       4.661  -9.134   3.730  1.00  0.00           H   new
ATOM      0  HB3 PRO A  28       4.542  -7.548   4.466  1.00  0.00           H   new
ATOM      0  HG2 PRO A  28       2.356  -9.488   3.780  1.00  0.00           H   new
ATOM      0  HG3 PRO A  28       2.489  -8.416   5.160  1.00  0.00           H   new
ATOM      0  HD2 PRO A  28       0.889  -7.876   2.971  1.00  0.00           H   new
ATOM      0  HD3 PRO A  28       1.528  -6.628   4.021  1.00  0.00           H   new
ATOM    390  N   PHE A  29       5.097  -8.387   0.327  1.00  0.00           N
ATOM    391  CA  PHE A  29       5.321  -9.380  -0.764  1.00  0.00           C
ATOM    392  C   PHE A  29       6.611 -10.165  -0.511  1.00  0.00           C
ATOM    393  O   PHE A  29       7.397  -9.826   0.351  1.00  0.00           O
ATOM    394  CB  PHE A  29       5.446  -8.543  -2.035  1.00  0.00           C
ATOM    395  CG  PHE A  29       6.683  -7.683  -1.951  1.00  0.00           C
ATOM    396  CD1 PHE A  29       7.945  -8.249  -2.168  1.00  0.00           C
ATOM    397  CD2 PHE A  29       6.569  -6.320  -1.653  1.00  0.00           C
ATOM    398  CE1 PHE A  29       9.093  -7.452  -2.087  1.00  0.00           C
ATOM    399  CE2 PHE A  29       7.717  -5.523  -1.572  1.00  0.00           C
ATOM    400  CZ  PHE A  29       8.979  -6.089  -1.790  1.00  0.00           C
ATOM      0  H   PHE A  29       5.666  -7.542   0.269  1.00  0.00           H   new
ATOM      0  HA  PHE A  29       4.514 -10.110  -0.831  1.00  0.00           H   new
ATOM      0  HB2 PHE A  29       5.501  -9.194  -2.908  1.00  0.00           H   new
ATOM      0  HB3 PHE A  29       4.562  -7.917  -2.159  1.00  0.00           H   new
ATOM      0  HD1 PHE A  29       8.033  -9.301  -2.398  1.00  0.00           H   new
ATOM      0  HD2 PHE A  29       5.595  -5.883  -1.486  1.00  0.00           H   new
ATOM      0  HE1 PHE A  29      10.067  -7.889  -2.254  1.00  0.00           H   new
ATOM      0  HE2 PHE A  29       7.629  -4.472  -1.341  1.00  0.00           H   new
ATOM      0  HZ  PHE A  29       9.865  -5.474  -1.729  1.00  0.00           H   new