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  180:sc=       0
USER  MOD Single : A   6 GLN     :      amide:sc=-0.00784  K(o=-0.0078,f=-1.6!)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   SER A   5       0.184  -2.647  -2.383  1.00  0.00           N
ATOM     60  CA  SER A   5      -0.800  -3.538  -1.823  1.00  0.00           C
ATOM     61  C   SER A   5      -0.687  -3.248  -0.367  1.00  0.00           C
ATOM     62  O   SER A   5      -1.664  -2.920   0.300  1.00  0.00           O
ATOM     63  CB  SER A   5      -0.513  -5.043  -2.054  1.00  0.00           C
ATOM     64  OG  SER A   5      -0.810  -5.390  -3.399  1.00  0.00           O
ATOM      0  HA  SER A   5      -1.777  -3.374  -2.278  1.00  0.00           H   new
ATOM      0  HB2 SER A   5       0.532  -5.261  -1.835  1.00  0.00           H   new
ATOM      0  HB3 SER A   5      -1.113  -5.646  -1.373  1.00  0.00           H   new
ATOM      0  HG  SER A   5      -0.625  -6.342  -3.540  1.00  0.00           H   new
ATOM     70  N   GLN A   6       0.559  -3.304   0.146  1.00  0.00           N
ATOM     71  CA  GLN A   6       0.860  -2.861   1.479  1.00  0.00           C
ATOM     72  C   GLN A   6       1.076  -1.387   1.378  1.00  0.00           C
ATOM     73  O   GLN A   6       1.251  -0.863   0.279  1.00  0.00           O
ATOM     74  CB  GLN A   6       2.160  -3.460   2.058  1.00  0.00           C
ATOM     75  CG  GLN A   6       2.140  -4.996   2.152  1.00  0.00           C
ATOM     76  CD  GLN A   6       3.412  -5.460   2.868  1.00  0.00           C
ATOM     77  OE1 GLN A   6       4.172  -4.647   3.403  1.00  0.00           O
ATOM     78  NE2 GLN A   6       3.642  -6.804   2.888  1.00  0.00           N
ATOM      0  H   GLN A   6       1.366  -3.659  -0.367  1.00  0.00           H   new
ATOM      0  HA  GLN A   6       0.043  -3.167   2.132  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6       3.001  -3.153   1.436  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6       2.331  -3.045   3.052  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6       1.257  -5.330   2.696  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6       2.085  -5.435   1.156  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6       2.987  -7.440   2.433  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6       4.469  -7.173   3.358  1.00  0.00           H   new