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=   0.135
USER  MOD Single : A   6 GLN     :      amide:sc= -0.0229  X(o=-0.023,f=-0.37)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   SER A   5       1.794  -2.696  -1.811  1.00  0.00           N
ATOM     60  CA  SER A   5       2.276  -3.426  -0.681  1.00  0.00           C
ATOM     61  C   SER A   5       1.111  -3.576   0.249  1.00  0.00           C
ATOM     62  O   SER A   5       0.712  -4.684   0.606  1.00  0.00           O
ATOM     63  CB  SER A   5       3.419  -2.655   0.016  1.00  0.00           C
ATOM     64  OG  SER A   5       4.436  -2.330  -0.927  1.00  0.00           O
ATOM      0  HA  SER A   5       2.675  -4.395  -0.980  1.00  0.00           H   new
ATOM      0  HB2 SER A   5       3.029  -1.744   0.471  1.00  0.00           H   new
ATOM      0  HB3 SER A   5       3.838  -3.259   0.821  1.00  0.00           H   new
ATOM      0  HG  SER A   5       4.055  -2.323  -1.830  1.00  0.00           H   new
ATOM     70  N   GLN A   6       0.524  -2.437   0.655  1.00  0.00           N
ATOM     71  CA  GLN A   6      -0.694  -2.380   1.405  1.00  0.00           C
ATOM     72  C   GLN A   6      -1.115  -1.040   0.932  1.00  0.00           C
ATOM     73  O   GLN A   6      -0.231  -0.238   0.642  1.00  0.00           O
ATOM     74  CB  GLN A   6      -0.575  -2.275   2.955  1.00  0.00           C
ATOM     75  CG  GLN A   6       0.161  -3.436   3.650  1.00  0.00           C
ATOM     76  CD  GLN A   6       1.679  -3.229   3.578  1.00  0.00           C
ATOM     77  OE1 GLN A   6       2.182  -2.149   3.909  1.00  0.00           O
ATOM     78  NE2 GLN A   6       2.424  -4.284   3.143  1.00  0.00           N
ATOM      0  H   GLN A   6       0.914  -1.516   0.453  1.00  0.00           H   new
ATOM      0  HA  GLN A   6      -1.308  -3.269   1.260  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6      -0.061  -1.345   3.199  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6      -1.579  -2.203   3.374  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6      -0.154  -3.503   4.691  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6      -0.106  -4.380   3.175  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6       1.967  -5.157   2.880  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6       3.439  -4.201   3.080  1.00  0.00           H   new