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  -22:sc=   0.309
USER  MOD Single : A   6 GLN     :      amide:sc= -0.0111  X(o=-0.011,f=0)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   SER A   5       0.273  -3.235  -2.709  1.00  0.00           N
ATOM     60  CA  SER A   5      -0.695  -4.050  -2.028  1.00  0.00           C
ATOM     61  C   SER A   5      -0.254  -4.122  -0.592  1.00  0.00           C
ATOM     62  O   SER A   5      -0.622  -5.030   0.149  1.00  0.00           O
ATOM     63  CB  SER A   5      -0.747  -5.471  -2.647  1.00  0.00           C
ATOM     64  OG  SER A   5       0.561  -5.946  -2.967  1.00  0.00           O
ATOM      0  HA  SER A   5      -1.695  -3.625  -2.116  1.00  0.00           H   new
ATOM      0  HB2 SER A   5      -1.224  -6.157  -1.948  1.00  0.00           H   new
ATOM      0  HB3 SER A   5      -1.361  -5.455  -3.548  1.00  0.00           H   new
ATOM      0  HG  SER A   5       1.171  -5.185  -3.063  1.00  0.00           H   new
ATOM     70  N   GLN A   6       0.556  -3.137  -0.169  1.00  0.00           N
ATOM     71  CA  GLN A   6       1.072  -2.993   1.152  1.00  0.00           C
ATOM     72  C   GLN A   6       0.935  -1.516   1.249  1.00  0.00           C
ATOM     73  O   GLN A   6       0.709  -0.874   0.219  1.00  0.00           O
ATOM     74  CB  GLN A   6       2.574  -3.342   1.279  1.00  0.00           C
ATOM     75  CG  GLN A   6       2.878  -4.825   0.999  1.00  0.00           C
ATOM     76  CD  GLN A   6       4.391  -5.056   0.967  1.00  0.00           C
ATOM     77  OE1 GLN A   6       4.951  -5.744   1.829  1.00  0.00           O
ATOM     78  NE2 GLN A   6       5.062  -4.466  -0.066  1.00  0.00           N
ATOM      0  H   GLN A   6       0.870  -2.393  -0.793  1.00  0.00           H   new
ATOM      0  HA  GLN A   6       0.582  -3.626   1.892  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6       3.144  -2.724   0.585  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6       2.915  -3.091   2.283  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6       2.423  -5.449   1.769  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6       2.437  -5.121   0.047  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6       4.554  -3.908  -0.752  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6       6.072  -4.584  -0.152  1.00  0.00           H   new