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=  -0.211  X(o=-0.21,f=0)
USER  MOD -----------------------------------------------------------------
ATOM    112  N   PRO A   7      26.598  34.845  23.311  1.00  0.00           N
ATOM    113  CA  PRO A   7      25.634  34.163  24.142  1.00  0.00           C
ATOM    114  C   PRO A   7      25.060  34.978  25.292  1.00  0.00           C
ATOM    115  O   PRO A   7      24.051  34.617  25.899  1.00  0.00           O
ATOM    116  CB  PRO A   7      26.472  33.001  24.707  1.00  0.00           C
ATOM    117  CG  PRO A   7      27.412  32.701  23.537  1.00  0.00           C
ATOM    118  CD  PRO A   7      27.759  34.057  22.941  1.00  0.00           C
ATOM      0  HA  PRO A   7      24.750  33.895  23.563  1.00  0.00           H   new
ATOM      0  HB2 PRO A   7      27.016  33.288  25.607  1.00  0.00           H   new
ATOM      0  HB3 PRO A   7      25.856  32.141  24.968  1.00  0.00           H   new
ATOM      0  HG2 PRO A   7      28.307  32.180  23.876  1.00  0.00           H   new
ATOM      0  HG3 PRO A   7      26.930  32.059  22.800  1.00  0.00           H   new
ATOM      0  HD2 PRO A   7      28.680  34.464  23.358  1.00  0.00           H   new
ATOM      0  HD3 PRO A   7      27.893  34.007  21.860  1.00  0.00           H   new
ATOM    126  N   GLN A   8      25.717  36.040  25.767  1.00  0.00           N
ATOM    127  CA  GLN A   8      25.221  36.888  26.832  1.00  0.00           C
ATOM    128  C   GLN A   8      24.090  37.785  26.354  1.00  0.00           C
ATOM    129  O   GLN A   8      23.400  38.398  27.155  1.00  0.00           O
ATOM    130  CB  GLN A   8      26.483  37.648  27.214  1.00  0.00           C
ATOM    131  CG  GLN A   8      26.346  38.418  28.523  1.00  0.00           C
ATOM    132  CD  GLN A   8      27.643  39.081  28.957  1.00  0.00           C
ATOM    133  OE1 GLN A   8      28.133  39.024  30.092  1.00  0.00           O
ATOM    134  NE2 GLN A   8      28.263  39.800  28.013  1.00  0.00           N
ATOM      0  H   GLN A   8      26.626  36.332  25.408  1.00  0.00           H   new
ATOM      0  HA  GLN A   8      24.771  36.358  27.672  1.00  0.00           H   new
ATOM      0  HB2 GLN A   8      27.312  36.945  27.298  1.00  0.00           H   new
ATOM      0  HB3 GLN A   8      26.736  38.345  26.415  1.00  0.00           H   new
ATOM      0  HG2 GLN A   8      25.574  39.179  28.412  1.00  0.00           H   new
ATOM      0  HG3 GLN A   8      26.012  37.737  29.306  1.00  0.00           H   new
ATOM      0 HE21 GLN A   8      27.870  39.855  27.073  1.00  0.00           H   new
ATOM      0 HE22 GLN A   8      29.129  40.292  28.233  1.00  0.00           H   new