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   73:sc=    1.14
USER  MOD -----------------------------------------------------------------
ATOM     74  N   ASP A   6      39.404  27.646  13.259  1.00  0.00           N
ATOM     75  CA  ASP A   6      39.685  27.316  14.639  1.00  0.00           C
ATOM     76  C   ASP A   6      39.878  28.618  15.408  1.00  0.00           C
ATOM     77  O   ASP A   6      39.813  28.571  16.637  1.00  0.00           O
ATOM     78  CB  ASP A   6      41.030  26.598  14.761  1.00  0.00           C
ATOM     79  CG  ASP A   6      42.208  27.297  14.105  1.00  0.00           C
ATOM     80  OD1 ASP A   6      42.454  26.918  12.944  1.00  0.00           O
ATOM     81  OD2 ASP A   6      42.867  28.217  14.652  1.00  0.00           O
ATOM      0  HA  ASP A   6      38.867  26.699  15.011  1.00  0.00           H   new
ATOM      0  HB2 ASP A   6      41.254  26.462  15.819  1.00  0.00           H   new
ATOM      0  HB3 ASP A   6      40.932  25.604  14.325  1.00  0.00           H   new
ATOM     86  N   SER A   7      40.165  29.748  14.772  1.00  0.00           N
ATOM     87  CA  SER A   7      40.453  31.018  15.426  1.00  0.00           C
ATOM     88  C   SER A   7      39.370  31.978  14.948  1.00  0.00           C
ATOM     89  O   SER A   7      39.389  32.620  13.904  1.00  0.00           O
ATOM     90  CB  SER A   7      41.799  31.505  14.892  1.00  0.00           C
ATOM     91  OG  SER A   7      42.831  30.840  15.598  1.00  0.00           O
ATOM      0  H   SER A   7      40.205  29.807  13.754  1.00  0.00           H   new
ATOM      0  HA  SER A   7      40.480  30.943  16.513  1.00  0.00           H   new
ATOM      0  HB2 SER A   7      41.879  31.301  13.824  1.00  0.00           H   new
ATOM      0  HB3 SER A   7      41.888  32.584  15.018  1.00  0.00           H   new
ATOM      0  HG  SER A   7      42.883  29.908  15.300  1.00  0.00           H   new