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= -0.0654  K(o=-0.065,f=-1.8!)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   SER A   5       0.642  -3.056  -2.512  1.00  0.00           N
ATOM     60  CA  SER A   5       0.022  -4.290  -2.108  1.00  0.00           C
ATOM     61  C   SER A   5      -0.668  -3.881  -0.856  1.00  0.00           C
ATOM     62  O   SER A   5      -1.887  -3.976  -0.731  1.00  0.00           O
ATOM     63  CB  SER A   5       0.997  -5.459  -1.805  1.00  0.00           C
ATOM     64  OG  SER A   5       1.483  -6.004  -3.027  1.00  0.00           O
ATOM      0  HA  SER A   5      -0.605  -4.690  -2.905  1.00  0.00           H   new
ATOM      0  HB2 SER A   5       1.829  -5.104  -1.197  1.00  0.00           H   new
ATOM      0  HB3 SER A   5       0.487  -6.231  -1.228  1.00  0.00           H   new
ATOM      0  HG  SER A   5       2.100  -6.741  -2.834  1.00  0.00           H   new
ATOM     70  N   GLN A   6       0.115  -3.348   0.089  1.00  0.00           N
ATOM     71  CA  GLN A   6      -0.383  -2.711   1.264  1.00  0.00           C
ATOM     72  C   GLN A   6       0.656  -1.654   1.391  1.00  0.00           C
ATOM     73  O   GLN A   6       1.501  -1.527   0.502  1.00  0.00           O
ATOM     74  CB  GLN A   6      -0.399  -3.521   2.586  1.00  0.00           C
ATOM     75  CG  GLN A   6      -1.038  -4.929   2.513  1.00  0.00           C
ATOM     76  CD  GLN A   6      -0.058  -5.969   1.948  1.00  0.00           C
ATOM     77  OE1 GLN A   6       1.129  -5.684   1.759  1.00  0.00           O
ATOM     78  NE2 GLN A   6      -0.567  -7.207   1.674  1.00  0.00           N
ATOM      0  H   GLN A   6       1.134  -3.360   0.035  1.00  0.00           H   new
ATOM      0  HA  GLN A   6      -1.435  -2.449   1.148  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6       0.628  -3.628   2.936  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6      -0.933  -2.940   3.338  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6      -1.359  -5.235   3.509  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6      -1.930  -4.892   1.888  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6      -1.554  -7.402   1.844  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6       0.040  -7.936   1.299  1.00  0.00           H   new