USER  MOD reduce.3.24.130724 H: found=0, std=0, add=8, 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 SER OG  :   rot   82:sc=    1.18
USER  MOD -----------------------------------------------------------------
ATOM     74  N   ASP A   6      39.927  27.574  12.951  1.00  0.00           N
ATOM     75  CA  ASP A   6      40.471  27.315  14.259  1.00  0.00           C
ATOM     76  C   ASP A   6      40.170  28.427  15.253  1.00  0.00           C
ATOM     77  O   ASP A   6      39.981  28.073  16.418  1.00  0.00           O
ATOM     78  CB  ASP A   6      41.966  27.026  14.186  1.00  0.00           C
ATOM     79  CG  ASP A   6      42.762  28.003  13.321  1.00  0.00           C
ATOM     80  OD1 ASP A   6      42.940  29.148  13.800  1.00  0.00           O
ATOM     81  OD2 ASP A   6      43.410  27.572  12.345  1.00  0.00           O
ATOM      0  HA  ASP A   6      39.970  26.423  14.634  1.00  0.00           H   new
ATOM      0  HB2 ASP A   6      42.375  27.039  15.196  1.00  0.00           H   new
ATOM      0  HB3 ASP A   6      42.109  26.018  13.798  1.00  0.00           H   new
ATOM     86  N   SER A   7      40.134  29.710  14.882  1.00  0.00           N
ATOM     87  CA  SER A   7      40.182  30.833  15.786  1.00  0.00           C
ATOM     88  C   SER A   7      39.298  31.896  15.152  1.00  0.00           C
ATOM     89  O   SER A   7      39.512  32.392  14.053  1.00  0.00           O
ATOM     90  CB  SER A   7      41.647  31.234  15.986  1.00  0.00           C
ATOM     91  OG  SER A   7      42.465  30.137  16.320  1.00  0.00           O
ATOM      0  H   SER A   7      40.068  29.992  13.904  1.00  0.00           H   new
ATOM      0  HA  SER A   7      39.806  30.633  16.789  1.00  0.00           H   new
ATOM      0  HB2 SER A   7      42.021  31.698  15.073  1.00  0.00           H   new
ATOM      0  HB3 SER A   7      41.711  31.984  16.774  1.00  0.00           H   new
ATOM      0  HG  SER A   7      42.714  29.654  15.504  1.00  0.00           H   new