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= -0.0508  X(o=-0.051,f=-0.22)
USER  MOD -----------------------------------------------------------------
ATOM    112  N   PRO A   7      26.769  34.580  23.837  1.00  0.00           N
ATOM    113  CA  PRO A   7      25.745  33.829  24.544  1.00  0.00           C
ATOM    114  C   PRO A   7      24.958  34.712  25.504  1.00  0.00           C
ATOM    115  O   PRO A   7      23.955  34.256  26.037  1.00  0.00           O
ATOM    116  CB  PRO A   7      26.464  32.652  25.184  1.00  0.00           C
ATOM    117  CG  PRO A   7      27.878  32.635  24.637  1.00  0.00           C
ATOM    118  CD  PRO A   7      28.075  34.089  24.206  1.00  0.00           C
ATOM      0  HA  PRO A   7      24.968  33.450  23.880  1.00  0.00           H   new
ATOM      0  HB2 PRO A   7      26.473  32.752  26.269  1.00  0.00           H   new
ATOM      0  HB3 PRO A   7      25.952  31.718  24.954  1.00  0.00           H   new
ATOM      0  HG2 PRO A   7      28.603  32.332  25.392  1.00  0.00           H   new
ATOM      0  HG3 PRO A   7      27.983  31.944  23.800  1.00  0.00           H   new
ATOM      0  HD2 PRO A   7      28.499  34.681  25.017  1.00  0.00           H   new
ATOM      0  HD3 PRO A   7      28.767  34.156  23.367  1.00  0.00           H   new
ATOM    126  N   GLN A   8      25.426  35.945  25.730  1.00  0.00           N
ATOM    127  CA  GLN A   8      24.804  36.830  26.697  1.00  0.00           C
ATOM    128  C   GLN A   8      23.944  37.895  26.031  1.00  0.00           C
ATOM    129  O   GLN A   8      23.128  38.502  26.720  1.00  0.00           O
ATOM    130  CB  GLN A   8      25.857  37.462  27.604  1.00  0.00           C
ATOM    131  CG  GLN A   8      26.618  36.585  28.584  1.00  0.00           C
ATOM    132  CD  GLN A   8      27.708  35.750  27.932  1.00  0.00           C
ATOM    133  OE1 GLN A   8      27.631  34.535  27.740  1.00  0.00           O
ATOM    134  NE2 GLN A   8      28.777  36.443  27.530  1.00  0.00           N
ATOM      0  H   GLN A   8      26.234  36.344  25.252  1.00  0.00           H   new
ATOM      0  HA  GLN A   8      24.138  36.224  27.311  1.00  0.00           H   new
ATOM      0  HB2 GLN A   8      26.591  37.950  26.963  1.00  0.00           H   new
ATOM      0  HB3 GLN A   8      25.365  38.246  28.180  1.00  0.00           H   new
ATOM      0  HG2 GLN A   8      27.065  37.216  29.352  1.00  0.00           H   new
ATOM      0  HG3 GLN A   8      25.915  35.921  29.087  1.00  0.00           H   new
ATOM      0 HE21 GLN A   8      28.825  37.448  27.696  1.00  0.00           H   new
ATOM      0 HE22 GLN A   8      29.545  35.967  27.057  1.00  0.00           H   new