USER  MOD reduce.3.24.130724 H: found=0, std=0, add=12, rem=0, adj=1
USER  MOD reduce.3.24.130724 removed 13 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   5 SER OG  :   rot   23:sc=   0.204
USER  MOD Single : A   6 GLN     :      amide:sc=   0.319  K(o=0.32,f=-5.2!)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   SER A   5       0.281  -3.406  -2.700  1.00  0.00           N
ATOM     60  CA  SER A   5      -0.615  -4.264  -1.969  1.00  0.00           C
ATOM     61  C   SER A   5      -0.495  -3.920  -0.514  1.00  0.00           C
ATOM     62  O   SER A   5      -1.432  -4.064   0.266  1.00  0.00           O
ATOM     63  CB  SER A   5      -0.220  -5.746  -2.130  1.00  0.00           C
ATOM     64  OG  SER A   5      -0.003  -6.050  -3.505  1.00  0.00           O
ATOM      0  HA  SER A   5      -1.627  -4.121  -2.347  1.00  0.00           H   new
ATOM      0  HB2 SER A   5       0.684  -5.954  -1.557  1.00  0.00           H   new
ATOM      0  HB3 SER A   5      -1.006  -6.385  -1.728  1.00  0.00           H   new
ATOM      0  HG  SER A   5       0.211  -5.227  -3.992  1.00  0.00           H   new
ATOM     70  N   GLN A   6       0.712  -3.465  -0.138  1.00  0.00           N
ATOM     71  CA  GLN A   6       1.094  -3.087   1.184  1.00  0.00           C
ATOM     72  C   GLN A   6       0.908  -1.606   1.223  1.00  0.00           C
ATOM     73  O   GLN A   6       0.736  -0.964   0.182  1.00  0.00           O
ATOM     74  CB  GLN A   6       2.598  -3.364   1.485  1.00  0.00           C
ATOM     75  CG  GLN A   6       3.156  -4.692   0.921  1.00  0.00           C
ATOM     76  CD  GLN A   6       3.481  -4.580  -0.578  1.00  0.00           C
ATOM     77  OE1 GLN A   6       3.200  -3.560  -1.220  1.00  0.00           O
ATOM     78  NE2 GLN A   6       4.061  -5.667  -1.158  1.00  0.00           N
ATOM      0  H   GLN A   6       1.474  -3.354  -0.807  1.00  0.00           H   new
ATOM      0  HA  GLN A   6       0.507  -3.650   1.909  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6       3.189  -2.541   1.082  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6       2.741  -3.360   2.566  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6       4.056  -4.971   1.469  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6       2.428  -5.488   1.077  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6       4.278  -6.490  -0.596  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6       4.278  -5.658  -2.155  1.00  0.00           H   new