USER  MOD reduce.3.24.130724 H: found=0, std=0, add=84, rem=0, adj=1
USER  MOD reduce.3.24.130724 removed 84 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Single : A  10 LYS NZ  :NH3+    156:sc=  -0.053   (180deg=-0.39)
USER  MOD Single : A  19 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD -----------------------------------------------------------------
ATOM    165  N   LYS A  10      42.378  16.009   0.464  1.00  0.00           N
ATOM    166  CA  LYS A  10      42.711  17.417   0.678  1.00  0.00           C
ATOM    167  C   LYS A  10      41.978  18.295  -0.333  1.00  0.00           C
ATOM    168  O   LYS A  10      41.953  19.519  -0.208  1.00  0.00           O
ATOM    169  CB  LYS A  10      44.225  17.621   0.533  1.00  0.00           C
ATOM    170  CG  LYS A  10      44.976  16.500   1.263  1.00  0.00           C
ATOM    171  CD  LYS A  10      44.545  16.449   2.734  1.00  0.00           C
ATOM    172  CE  LYS A  10      45.549  15.619   3.539  1.00  0.00           C
ATOM    173  NZ  LYS A  10      46.824  16.377   3.675  1.00  0.00           N
ATOM      0  HA  LYS A  10      42.401  17.700   1.684  1.00  0.00           H   new
ATOM      0  HB2 LYS A  10      44.500  17.628  -0.522  1.00  0.00           H   new
ATOM      0  HB3 LYS A  10      44.511  18.589   0.944  1.00  0.00           H   new
ATOM      0  HG2 LYS A  10      44.773  15.543   0.783  1.00  0.00           H   new
ATOM      0  HG3 LYS A  10      46.051  16.668   1.196  1.00  0.00           H   new
ATOM      0  HD2 LYS A  10      44.485  17.459   3.140  1.00  0.00           H   new
ATOM      0  HD3 LYS A  10      43.550  16.013   2.816  1.00  0.00           H   new
ATOM      0  HE2 LYS A  10      45.142  15.392   4.524  1.00  0.00           H   new
ATOM      0  HE3 LYS A  10      45.731  14.666   3.042  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  10      47.339  16.043   4.514  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  10      47.409  16.228   2.828  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  10      46.616  17.391   3.778  1.00  0.00           H   new
ATOM    187  N   ILE A  11      41.390  17.654  -1.342  1.00  0.00           N
ATOM    188  CA  ILE A  11      40.658  18.364  -2.395  1.00  0.00           C
ATOM    189  C   ILE A  11      39.392  17.596  -2.764  1.00  0.00           C
ATOM    190  O   ILE A  11      38.346  18.185  -3.008  1.00  0.00           O
ATOM    191  CB  ILE A  11      41.529  18.497  -3.656  1.00  0.00           C
ATOM    192  CG1 ILE A  11      42.927  18.987  -3.255  1.00  0.00           C
ATOM    193  CG2 ILE A  11      40.891  19.493  -4.633  1.00  0.00           C
ATOM    194  CD1 ILE A  11      43.796  19.179  -4.504  1.00  0.00           C
ATOM      0  H   ILE A  11      41.405  16.640  -1.454  1.00  0.00           H   new
ATOM      0  HA  ILE A  11      40.399  19.353  -2.018  1.00  0.00           H   new
ATOM      0  HB  ILE A  11      41.607  17.526  -4.145  1.00  0.00           H   new
ATOM      0 HG12 ILE A  11      42.849  19.927  -2.709  1.00  0.00           H   new
ATOM      0 HG13 ILE A  11      43.395  18.267  -2.584  1.00  0.00           H   new
ATOM      0 HG21 ILE A  11      41.515  19.580  -5.523  1.00  0.00           H   new
ATOM      0 HG22 ILE A  11      39.900  19.139  -4.918  1.00  0.00           H   new
ATOM      0 HG23 ILE A  11      40.804  20.468  -4.154  1.00  0.00           H   new
ATOM      0 HD11 ILE A  11      44.786  19.527  -4.209  1.00  0.00           H   new
ATOM      0 HD12 ILE A  11      43.888  18.230  -5.033  1.00  0.00           H   new
ATOM      0 HD13 ILE A  11      43.333  19.917  -5.160  1.00  0.00           H   new
ATOM    206  N   ILE A  12      39.510  16.279  -2.807  1.00  0.00           N
ATOM    207  CA  ILE A  12      38.379  15.422  -3.145  1.00  0.00           C
ATOM    208  C   ILE A  12      37.448  15.341  -1.957  1.00  0.00           C
ATOM    209  O   ILE A  12      36.575  16.189  -1.799  1.00  0.00           O
ATOM    210  CB  ILE A  12      38.882  14.016  -3.476  1.00  0.00           C
ATOM    211  CG1 ILE A  12      39.850  14.084  -4.678  1.00  0.00           C
ATOM    212  CG2 ILE A  12      37.693  13.103  -3.804  1.00  0.00           C
ATOM    213  CD1 ILE A  12      40.675  12.785  -4.800  1.00  0.00           C
ATOM      0  H   ILE A  12      40.377  15.777  -2.612  1.00  0.00           H   new
ATOM      0  HA  ILE A  12      37.854  15.836  -4.006  1.00  0.00           H   new
ATOM      0  HB  ILE A  12      39.411  13.607  -2.615  1.00  0.00           H   new
ATOM      0 HG12 ILE A  12      39.285  14.247  -5.596  1.00  0.00           H   new
ATOM      0 HG13 ILE A  12      40.521  14.935  -4.561  1.00  0.00           H   new
ATOM      0 HG21 ILE A  12      38.056  12.103  -4.039  1.00  0.00           H   new
ATOM      0 HG22 ILE A  12      37.024  13.053  -2.945  1.00  0.00           H   new
ATOM      0 HG23 ILE A  12      37.152  13.503  -4.662  1.00  0.00           H   new
ATOM      0 HD11 ILE A  12      41.348  12.860  -5.654  1.00  0.00           H   new
ATOM      0 HD12 ILE A  12      41.258  12.637  -3.891  1.00  0.00           H   new
ATOM      0 HD13 ILE A  12      40.003  11.939  -4.941  1.00  0.00           H   new
ATOM    225  N   GLY A  13      37.693  14.370  -1.065  1.00  0.00           N
ATOM    226  CA  GLY A  13      36.917  14.276   0.152  1.00  0.00           C
ATOM    227  C   GLY A  13      37.124  15.559   0.915  1.00  0.00           C
ATOM    228  O   GLY A  13      36.490  15.827   1.935  1.00  0.00           O
ATOM      0  H   GLY A  13      38.413  13.656  -1.172  1.00  0.00           H   new
ATOM      0  HA2 GLY A  13      35.861  14.130  -0.076  1.00  0.00           H   new
ATOM      0  HA3 GLY A  13      37.236  13.420   0.746  1.00  0.00           H   new
ATOM    232  N   GLY A  14      38.026  16.363   0.353  1.00  0.00           N
ATOM    233  CA  GLY A  14      38.362  17.661   0.895  1.00  0.00           C
ATOM    234  C   GLY A  14      37.359  18.696   0.440  1.00  0.00           C
ATOM    235  O   GLY A  14      36.868  19.490   1.241  1.00  0.00           O
ATOM      0  H   GLY A  14      38.541  16.123  -0.494  1.00  0.00           H   new
ATOM      0  HA2 GLY A  14      38.378  17.615   1.984  1.00  0.00           H   new
ATOM      0  HA3 GLY A  14      39.363  17.949   0.573  1.00  0.00           H   new
ATOM    239  N   ALA A  15      37.016  18.664  -0.855  1.00  0.00           N
ATOM    240  CA  ALA A  15      36.018  19.593  -1.384  1.00  0.00           C
ATOM    241  C   ALA A  15      34.651  18.967  -1.193  1.00  0.00           C
ATOM    242  O   ALA A  15      33.716  19.229  -1.948  1.00  0.00           O
ATOM    243  CB  ALA A  15      36.259  19.872  -2.862  1.00  0.00           C
ATOM      0  H   ALA A  15      37.407  18.018  -1.540  1.00  0.00           H   new
ATOM      0  HA  ALA A  15      36.085  20.543  -0.854  1.00  0.00           H   new
ATOM      0  HB1 ALA A  15      35.503  20.566  -3.229  1.00  0.00           H   new
ATOM      0  HB2 ALA A  15      37.248  20.311  -2.993  1.00  0.00           H   new
ATOM      0  HB3 ALA A  15      36.199  18.939  -3.423  1.00  0.00           H   new
ATOM    249  N   ALA A  16      34.570  18.112  -0.174  1.00  0.00           N
ATOM    250  CA  ALA A  16      33.343  17.397   0.147  1.00  0.00           C
ATOM    251  C   ALA A  16      33.159  16.228  -0.815  1.00  0.00           C
ATOM    252  O   ALA A  16      32.038  15.927  -1.227  1.00  0.00           O
ATOM    253  CB  ALA A  16      32.136  18.341   0.095  1.00  0.00           C
ATOM      0  H   ALA A  16      35.351  17.899   0.447  1.00  0.00           H   new
ATOM      0  HA  ALA A  16      33.418  17.007   1.162  1.00  0.00           H   new
ATOM      0  HB1 ALA A  16      31.230  17.786   0.338  1.00  0.00           H   new
ATOM      0  HB2 ALA A  16      32.273  19.147   0.816  1.00  0.00           H   new
ATOM      0  HB3 ALA A  16      32.046  18.762  -0.906  1.00  0.00           H   new
ATOM    259  N   LEU A  17      34.263  15.565  -1.174  1.00  0.00           N
ATOM    260  CA  LEU A  17      34.172  14.431  -2.092  1.00  0.00           C
ATOM    261  C   LEU A  17      33.469  14.861  -3.385  1.00  0.00           C
ATOM    262  O   LEU A  17      32.994  14.026  -4.153  1.00  0.00           O
ATOM    263  CB  LEU A  17      33.400  13.276  -1.400  1.00  0.00           C
ATOM    264  CG  LEU A  17      34.041  11.912  -1.710  1.00  0.00           C
ATOM    265  CD1 LEU A  17      33.311  10.820  -0.927  1.00  0.00           C
ATOM    266  CD2 LEU A  17      33.934  11.614  -3.207  1.00  0.00           C
ATOM      0  H   LEU A  17      35.205  15.787  -0.852  1.00  0.00           H   new
ATOM      0  HA  LEU A  17      35.172  14.082  -2.350  1.00  0.00           H   new
ATOM      0  HB2 LEU A  17      33.388  13.438  -0.322  1.00  0.00           H   new
ATOM      0  HB3 LEU A  17      32.363  13.277  -1.734  1.00  0.00           H   new
ATOM      0  HG  LEU A  17      35.092  11.936  -1.421  1.00  0.00           H   new
ATOM      0 HD11 LEU A  17      33.763   9.852  -1.145  1.00  0.00           H   new
ATOM      0 HD12 LEU A  17      33.388  11.025   0.141  1.00  0.00           H   new
ATOM      0 HD13 LEU A  17      32.261  10.804  -1.218  1.00  0.00           H   new
ATOM      0 HD21 LEU A  17      34.390  10.647  -3.419  1.00  0.00           H   new
ATOM      0 HD22 LEU A  17      32.884  11.592  -3.500  1.00  0.00           H   new
ATOM      0 HD23 LEU A  17      34.452  12.390  -3.770  1.00  0.00           H   new
ATOM    278  N   ASP A  18      33.410  16.171  -3.612  1.00  0.00           N
ATOM    279  CA  ASP A  18      32.766  16.707  -4.808  1.00  0.00           C
ATOM    280  C   ASP A  18      31.321  16.223  -4.909  1.00  0.00           C
ATOM    281  O   ASP A  18      30.390  16.946  -4.552  1.00  0.00           O
ATOM    282  CB  ASP A  18      33.545  16.287  -6.057  1.00  0.00           C
ATOM    283  CG  ASP A  18      32.906  16.923  -7.294  1.00  0.00           C
ATOM    284  OD1 ASP A  18      32.275  17.957  -7.145  1.00  0.00           O
ATOM    285  OD2 ASP A  18      33.058  16.366  -8.368  1.00  0.00           O
ATOM      0  H   ASP A  18      33.798  16.878  -2.987  1.00  0.00           H   new
ATOM      0  HA  ASP A  18      32.762  17.795  -4.736  1.00  0.00           H   new
ATOM      0  HB2 ASP A  18      34.586  16.598  -5.971  1.00  0.00           H   new
ATOM      0  HB3 ASP A  18      33.544  15.201  -6.151  1.00  0.00           H   new
ATOM    290  N   HIS A  19      31.137  14.999  -5.398  1.00  0.00           N
ATOM    291  CA  HIS A  19      29.799  14.437  -5.540  1.00  0.00           C
ATOM    292  C   HIS A  19      29.018  14.574  -4.237  1.00  0.00           C
ATOM    293  O   HIS A  19      27.979  15.233  -4.190  1.00  0.00           O
ATOM    294  CB  HIS A  19      29.890  12.960  -5.929  1.00  0.00           C
ATOM    295  CG  HIS A  19      28.507  12.406  -6.124  1.00  0.00           C
ATOM    296  ND1 HIS A  19      28.060  11.278  -5.452  1.00  0.00           N
ATOM    297  CD2 HIS A  19      27.458  12.813  -6.911  1.00  0.00           C
ATOM    298  CE1 HIS A  19      26.794  11.048  -5.844  1.00  0.00           C
ATOM    299  NE2 HIS A  19      26.377  11.953  -6.733  1.00  0.00           N
ATOM      0  H   HIS A  19      31.892  14.383  -5.700  1.00  0.00           H   new
ATOM      0  HA  HIS A  19      29.277  14.987  -6.323  1.00  0.00           H   new
ATOM      0  HB2 HIS A  19      30.470  12.850  -6.845  1.00  0.00           H   new
ATOM      0  HB3 HIS A  19      30.411  12.400  -5.153  1.00  0.00           H   new
ATOM      0  HD2 HIS A  19      27.469  13.670  -7.568  1.00  0.00           H   new
ATOM      0  HE1 HIS A  19      26.188  10.230  -5.483  1.00  0.00           H   new
ATOM      0  HE2 HIS A  19      25.464  12.004  -7.184  1.00  0.00           H   new
ATOM    307  N   LEU A  20      29.524  13.948  -3.180  1.00  0.00           N
ATOM    308  CA  LEU A  20      28.863  14.010  -1.881  1.00  0.00           C
ATOM    309  C   LEU A  20      29.774  13.449  -0.791  1.00  0.00           C
ATOM    310  O   LEU A  20      29.800  12.241  -0.552  1.00  0.00           O
ATOM    311  CB  LEU A  20      27.553  13.209  -1.925  1.00  0.00           C
ATOM    312  CG  LEU A  20      26.680  13.530  -0.683  1.00  0.00           C
ATOM    313  CD1 LEU A  20      25.849  14.802  -0.915  1.00  0.00           C
ATOM    314  CD2 LEU A  20      25.722  12.363  -0.409  1.00  0.00           C
ATOM      0  H   LEU A  20      30.382  13.396  -3.196  1.00  0.00           H   new
ATOM      0  HA  LEU A  20      28.643  15.052  -1.651  1.00  0.00           H   new
ATOM      0  HB2 LEU A  20      27.003  13.449  -2.835  1.00  0.00           H   new
ATOM      0  HB3 LEU A  20      27.773  12.142  -1.957  1.00  0.00           H   new
ATOM      0  HG  LEU A  20      27.343  13.684   0.168  1.00  0.00           H   new
ATOM      0 HD11 LEU A  20      25.245  15.008  -0.032  1.00  0.00           H   new
ATOM      0 HD12 LEU A  20      26.516  15.643  -1.102  1.00  0.00           H   new
ATOM      0 HD13 LEU A  20      25.196  14.658  -1.776  1.00  0.00           H   new
ATOM      0 HD21 LEU A  20      25.110  12.592   0.464  1.00  0.00           H   new
ATOM      0 HD22 LEU A  20      25.077  12.211  -1.274  1.00  0.00           H   new
ATOM      0 HD23 LEU A  20      26.297  11.456  -0.222  1.00  0.00           H   new