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=-0.00356  X(o=-0.0036,f=0)
USER  MOD -----------------------------------------------------------------
ATOM    112  N   PRO A   7      26.616  34.315  23.481  1.00  0.00           N
ATOM    113  CA  PRO A   7      25.717  33.885  24.535  1.00  0.00           C
ATOM    114  C   PRO A   7      25.095  34.969  25.399  1.00  0.00           C
ATOM    115  O   PRO A   7      23.945  34.770  25.792  1.00  0.00           O
ATOM    116  CB  PRO A   7      26.490  32.901  25.405  1.00  0.00           C
ATOM    117  CG  PRO A   7      27.451  32.289  24.387  1.00  0.00           C
ATOM    118  CD  PRO A   7      27.786  33.460  23.469  1.00  0.00           C
ATOM      0  HA  PRO A   7      24.852  33.446  24.037  1.00  0.00           H   new
ATOM      0  HB2 PRO A   7      27.017  33.399  26.219  1.00  0.00           H   new
ATOM      0  HB3 PRO A   7      25.839  32.153  25.857  1.00  0.00           H   new
ATOM      0  HG2 PRO A   7      28.343  31.887  24.868  1.00  0.00           H   new
ATOM      0  HG3 PRO A   7      26.987  31.469  23.839  1.00  0.00           H   new
ATOM      0  HD2 PRO A   7      28.666  33.996  23.824  1.00  0.00           H   new
ATOM      0  HD3 PRO A   7      28.008  33.115  22.459  1.00  0.00           H   new
ATOM    126  N   GLN A   8      25.794  36.039  25.767  1.00  0.00           N
ATOM    127  CA  GLN A   8      25.296  37.081  26.649  1.00  0.00           C
ATOM    128  C   GLN A   8      24.284  38.027  26.028  1.00  0.00           C
ATOM    129  O   GLN A   8      23.621  38.846  26.661  1.00  0.00           O
ATOM    130  CB  GLN A   8      26.515  37.914  27.040  1.00  0.00           C
ATOM    131  CG  GLN A   8      26.290  38.925  28.165  1.00  0.00           C
ATOM    132  CD  GLN A   8      27.527  39.656  28.673  1.00  0.00           C
ATOM    133  OE1 GLN A   8      27.817  39.785  29.861  1.00  0.00           O
ATOM    134  NE2 GLN A   8      28.382  40.131  27.766  1.00  0.00           N
ATOM      0  H   GLN A   8      26.749  36.206  25.449  1.00  0.00           H   new
ATOM      0  HA  GLN A   8      24.781  36.590  27.475  1.00  0.00           H   new
ATOM      0  HB2 GLN A   8      27.315  37.237  27.339  1.00  0.00           H   new
ATOM      0  HB3 GLN A   8      26.864  38.451  26.158  1.00  0.00           H   new
ATOM      0  HG2 GLN A   8      25.572  39.668  27.819  1.00  0.00           H   new
ATOM      0  HG3 GLN A   8      25.831  38.405  29.006  1.00  0.00           H   new
ATOM      0 HE21 GLN A   8      28.173  40.041  26.772  1.00  0.00           H   new
ATOM      0 HE22 GLN A   8      29.245  40.584  28.067  1.00  0.00           H   new