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   29:sc=   0.541
USER  MOD Single : A   6 GLN     :      amide:sc=   0.461  K(o=0.46,f=-0.45)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   SER A   5       1.684  -2.862  -1.779  1.00  0.00           N
ATOM     60  CA  SER A   5       1.957  -3.814  -0.739  1.00  0.00           C
ATOM     61  C   SER A   5       0.783  -4.005   0.172  1.00  0.00           C
ATOM     62  O   SER A   5       0.305  -5.122   0.361  1.00  0.00           O
ATOM     63  CB  SER A   5       3.174  -3.327   0.079  1.00  0.00           C
ATOM     64  OG  SER A   5       4.144  -2.775  -0.808  1.00  0.00           O
ATOM      0  HA  SER A   5       2.167  -4.776  -1.206  1.00  0.00           H   new
ATOM      0  HB2 SER A   5       2.862  -2.578   0.807  1.00  0.00           H   new
ATOM      0  HB3 SER A   5       3.606  -4.156   0.639  1.00  0.00           H   new
ATOM      0  HG  SER A   5       3.694  -2.403  -1.595  1.00  0.00           H   new
ATOM     70  N   GLN A   6       0.289  -2.895   0.746  1.00  0.00           N
ATOM     71  CA  GLN A   6      -0.943  -2.825   1.466  1.00  0.00           C
ATOM     72  C   GLN A   6      -1.248  -1.408   1.161  1.00  0.00           C
ATOM     73  O   GLN A   6      -0.320  -0.654   0.855  1.00  0.00           O
ATOM     74  CB  GLN A   6      -0.853  -2.995   3.006  1.00  0.00           C
ATOM     75  CG  GLN A   6      -0.568  -4.434   3.482  1.00  0.00           C
ATOM     76  CD  GLN A   6      -1.751  -5.352   3.148  1.00  0.00           C
ATOM     77  OE1 GLN A   6      -2.668  -5.511   3.959  1.00  0.00           O
ATOM     78  NE2 GLN A   6      -1.731  -5.952   1.925  1.00  0.00           N
ATOM      0  H   GLN A   6       0.775  -1.999   0.705  1.00  0.00           H   new
ATOM      0  HA  GLN A   6      -1.646  -3.610   1.188  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6      -0.068  -2.340   3.385  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6      -1.790  -2.659   3.450  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6       0.337  -4.809   3.005  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6      -0.388  -4.439   4.557  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6      -0.950  -5.789   1.290  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6      -2.497  -6.564   1.645  1.00  0.00           H   new