USER  MOD reduce.3.24.130724 H: found=0, std=0, add=15, rem=0, adj=0
USER  MOD reduce.3.24.130724 removed 15 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   8 GLN     :      amide:sc= -0.0377  X(o=-0.038,f=0)
USER  MOD -----------------------------------------------------------------
ATOM    112  N   PRO A   7      26.734  34.714  23.662  1.00  0.00           N
ATOM    113  CA  PRO A   7      25.950  33.972  24.617  1.00  0.00           C
ATOM    114  C   PRO A   7      25.145  34.767  25.634  1.00  0.00           C
ATOM    115  O   PRO A   7      24.107  34.300  26.103  1.00  0.00           O
ATOM    116  CB  PRO A   7      26.931  32.996  25.277  1.00  0.00           C
ATOM    117  CG  PRO A   7      27.995  32.655  24.236  1.00  0.00           C
ATOM    118  CD  PRO A   7      28.015  34.033  23.577  1.00  0.00           C
ATOM      0  HA  PRO A   7      25.142  33.477  24.078  1.00  0.00           H   new
ATOM      0  HB2 PRO A   7      27.386  33.445  26.160  1.00  0.00           H   new
ATOM      0  HB3 PRO A   7      26.414  32.095  25.608  1.00  0.00           H   new
ATOM      0  HG2 PRO A   7      28.952  32.368  24.671  1.00  0.00           H   new
ATOM      0  HG3 PRO A   7      27.699  31.854  23.559  1.00  0.00           H   new
ATOM      0  HD2 PRO A   7      28.780  34.647  24.052  1.00  0.00           H   new
ATOM      0  HD3 PRO A   7      28.296  33.926  22.529  1.00  0.00           H   new
ATOM    126  N   GLN A   8      25.624  35.960  25.984  1.00  0.00           N
ATOM    127  CA  GLN A   8      25.002  36.972  26.813  1.00  0.00           C
ATOM    128  C   GLN A   8      24.125  37.947  26.045  1.00  0.00           C
ATOM    129  O   GLN A   8      23.388  38.688  26.687  1.00  0.00           O
ATOM    130  CB  GLN A   8      25.978  37.738  27.693  1.00  0.00           C
ATOM    131  CG  GLN A   8      26.731  36.872  28.706  1.00  0.00           C
ATOM    132  CD  GLN A   8      27.977  36.127  28.259  1.00  0.00           C
ATOM    133  OE1 GLN A   8      28.125  34.910  28.394  1.00  0.00           O
ATOM    134  NE2 GLN A   8      28.893  36.889  27.653  1.00  0.00           N
ATOM      0  H   GLN A   8      26.543  36.263  25.660  1.00  0.00           H   new
ATOM      0  HA  GLN A   8      24.355  36.387  27.467  1.00  0.00           H   new
ATOM      0  HB2 GLN A   8      26.703  38.243  27.055  1.00  0.00           H   new
ATOM      0  HB3 GLN A   8      25.432  38.513  28.231  1.00  0.00           H   new
ATOM      0  HG2 GLN A   8      27.013  37.513  29.541  1.00  0.00           H   new
ATOM      0  HG3 GLN A   8      26.029  36.134  29.094  1.00  0.00           H   new
ATOM      0 HE21 GLN A   8      28.739  37.893  27.558  1.00  0.00           H   new
ATOM      0 HE22 GLN A   8      29.746  36.467  27.286  1.00  0.00           H   new