USER  MOD reduce.3.24.130724 H: found=0, std=0, add=26, rem=0, adj=1
USER  MOD reduce.3.24.130724 removed 27 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   3 SER OG  :   rot  180:sc= -0.0114
USER  MOD -----------------------------------------------------------------
ATOM     12  N   LEU A   2       3.376   4.391   3.733  1.00  0.00           N
ATOM     13  CA  LEU A   2       3.287   3.693   5.010  1.00  0.00           C
ATOM     14  C   LEU A   2       4.677   3.313   5.512  1.00  0.00           C
ATOM     15  O   LEU A   2       4.984   3.463   6.695  1.00  0.00           O
ATOM     16  CB  LEU A   2       2.434   2.430   4.853  1.00  0.00           C
ATOM     17  CG  LEU A   2       1.179   2.547   5.721  1.00  0.00           C
ATOM     18  CD1 LEU A   2       1.587   2.678   7.189  1.00  0.00           C
ATOM     19  CD2 LEU A   2       0.380   3.783   5.299  1.00  0.00           C
ATOM      0  HA  LEU A   2       2.822   4.359   5.737  1.00  0.00           H   new
ATOM      0  HB2 LEU A   2       2.154   2.295   3.808  1.00  0.00           H   new
ATOM      0  HB3 LEU A   2       3.010   1.552   5.145  1.00  0.00           H   new
ATOM      0  HG  LEU A   2       0.563   1.657   5.593  1.00  0.00           H   new
ATOM      0 HD11 LEU A   2       0.694   2.761   7.809  1.00  0.00           H   new
ATOM      0 HD12 LEU A   2       2.156   1.798   7.489  1.00  0.00           H   new
ATOM      0 HD13 LEU A   2       2.202   3.568   7.318  1.00  0.00           H   new
ATOM      0 HD21 LEU A   2      -0.514   3.867   5.917  1.00  0.00           H   new
ATOM      0 HD22 LEU A   2       0.994   4.674   5.427  1.00  0.00           H   new
ATOM      0 HD23 LEU A   2       0.090   3.689   4.252  1.00  0.00           H   new
ATOM     31  N   SER A   3       5.509   2.810   4.607  1.00  0.00           N
ATOM     32  CA  SER A   3       6.861   2.398   4.969  1.00  0.00           C
ATOM     33  C   SER A   3       7.850   3.557   4.850  1.00  0.00           C
ATOM     34  O   SER A   3       8.726   3.721   5.699  1.00  0.00           O
ATOM     35  CB  SER A   3       7.314   1.252   4.063  1.00  0.00           C
ATOM     36  OG  SER A   3       8.606   1.546   3.547  1.00  0.00           O
ATOM      0  H   SER A   3       5.274   2.678   3.623  1.00  0.00           H   new
ATOM      0  HA  SER A   3       6.842   2.068   6.008  1.00  0.00           H   new
ATOM      0  HB2 SER A   3       7.337   0.317   4.623  1.00  0.00           H   new
ATOM      0  HB3 SER A   3       6.605   1.117   3.246  1.00  0.00           H   new
ATOM      0  HG  SER A   3       8.901   0.813   2.967  1.00  0.00           H   new
ATOM     42  N   LEU A   4       7.718   4.353   3.792  1.00  0.00           N
ATOM     43  CA  LEU A   4       8.625   5.480   3.584  1.00  0.00           C
ATOM     44  C   LEU A   4       8.084   6.749   4.238  1.00  0.00           C
ATOM     45  O   LEU A   4       8.814   7.457   4.933  1.00  0.00           O
ATOM     46  CB  LEU A   4       8.828   5.719   2.087  1.00  0.00           C
ATOM     47  CG  LEU A   4       8.804   4.381   1.347  1.00  0.00           C
ATOM     48  CD1 LEU A   4       7.459   4.212   0.639  1.00  0.00           C
ATOM     49  CD2 LEU A   4       9.931   4.351   0.312  1.00  0.00           C
ATOM      0  H   LEU A   4       7.002   4.242   3.074  1.00  0.00           H   new
ATOM      0  HA  LEU A   4       9.581   5.234   4.047  1.00  0.00           H   new
ATOM      0  HB2 LEU A   4       8.045   6.373   1.703  1.00  0.00           H   new
ATOM      0  HB3 LEU A   4       9.778   6.225   1.915  1.00  0.00           H   new
ATOM      0  HG  LEU A   4       8.943   3.569   2.061  1.00  0.00           H   new
ATOM      0 HD11 LEU A   4       7.443   3.258   0.112  1.00  0.00           H   new
ATOM      0 HD12 LEU A   4       6.655   4.234   1.375  1.00  0.00           H   new
ATOM      0 HD13 LEU A   4       7.319   5.024  -0.075  1.00  0.00           H   new
ATOM      0 HD21 LEU A   4       9.915   3.398  -0.216  1.00  0.00           H   new
ATOM      0 HD22 LEU A   4       9.792   5.163  -0.401  1.00  0.00           H   new
ATOM      0 HD23 LEU A   4      10.890   4.471   0.815  1.00  0.00           H   new