USER  MOD reduce.3.24.130724 H: found=0, std=0, add=9, rem=0, adj=1
USER  MOD reduce.3.24.130724 removed 9 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   7 CYS SG  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM     88  N   CYS A   7       1.942   5.117   3.504  1.00  0.00           N
ATOM     89  CA  CYS A   7       2.438   6.113   2.561  1.00  0.00           C
ATOM     90  C   CYS A   7       1.418   6.343   1.453  1.00  0.00           C
ATOM     91  O   CYS A   7       1.080   7.482   1.132  1.00  0.00           O
ATOM     92  CB  CYS A   7       3.762   5.651   1.948  1.00  0.00           C
ATOM     93  SG  CYS A   7       5.092   5.834   3.162  1.00  0.00           S
ATOM      0  HA  CYS A   7       2.600   7.047   3.100  1.00  0.00           H   new
ATOM      0  HB2 CYS A   7       3.685   4.610   1.633  1.00  0.00           H   new
ATOM      0  HB3 CYS A   7       3.986   6.238   1.057  1.00  0.00           H   new
ATOM      0  HG  CYS A   7       6.214   5.439   2.639  1.00  0.00           H   new
ATOM     98  N   ALA A   8       0.929   5.251   0.874  1.00  0.00           N
ATOM     99  CA  ALA A   8      -0.056   5.344  -0.199  1.00  0.00           C
ATOM    100  C   ALA A   8      -1.399   5.822   0.345  1.00  0.00           C
ATOM    101  O   ALA A   8      -2.091   6.523  -0.374  1.00  0.00           O
ATOM    102  CB  ALA A   8      -0.231   3.980  -0.870  1.00  0.00           C
ATOM    103  OXT ALA A   8      -1.716   5.477   1.472  1.00  0.00           O
ATOM      0  H   ALA A   8       1.195   4.299   1.126  1.00  0.00           H   new
ATOM      0  HA  ALA A   8       0.303   6.065  -0.933  1.00  0.00           H   new
ATOM      0  HB1 ALA A   8      -0.968   4.060  -1.669  1.00  0.00           H   new
ATOM      0  HB2 ALA A   8       0.722   3.654  -1.286  1.00  0.00           H   new
ATOM      0  HB3 ALA A   8      -0.572   3.253  -0.133  1.00  0.00           H   new