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=  -0.417  X(o=-0.42,f=0)
USER  MOD -----------------------------------------------------------------
ATOM    112  N   PRO A   7      26.754  34.576  23.643  1.00  0.00           N
ATOM    113  CA  PRO A   7      25.663  34.088  24.456  1.00  0.00           C
ATOM    114  C   PRO A   7      25.102  35.049  25.487  1.00  0.00           C
ATOM    115  O   PRO A   7      24.074  34.765  26.110  1.00  0.00           O
ATOM    116  CB  PRO A   7      26.247  32.900  25.204  1.00  0.00           C
ATOM    117  CG  PRO A   7      27.526  32.554  24.441  1.00  0.00           C
ATOM    118  CD  PRO A   7      28.003  33.918  23.950  1.00  0.00           C
ATOM      0  HA  PRO A   7      24.824  33.881  23.792  1.00  0.00           H   new
ATOM      0  HB2 PRO A   7      26.461  33.152  26.243  1.00  0.00           H   new
ATOM      0  HB3 PRO A   7      25.553  32.059  25.216  1.00  0.00           H   new
ATOM      0  HG2 PRO A   7      28.264  32.074  25.084  1.00  0.00           H   new
ATOM      0  HG3 PRO A   7      27.332  31.871  23.614  1.00  0.00           H   new
ATOM      0  HD2 PRO A   7      28.569  34.452  24.713  1.00  0.00           H   new
ATOM      0  HD3 PRO A   7      28.647  33.835  23.075  1.00  0.00           H   new
ATOM    126  N   GLN A   8      25.746  36.209  25.662  1.00  0.00           N
ATOM    127  CA  GLN A   8      25.286  37.235  26.565  1.00  0.00           C
ATOM    128  C   GLN A   8      24.174  38.128  26.034  1.00  0.00           C
ATOM    129  O   GLN A   8      23.616  38.908  26.817  1.00  0.00           O
ATOM    130  CB  GLN A   8      26.449  38.133  26.963  1.00  0.00           C
ATOM    131  CG  GLN A   8      26.254  38.924  28.254  1.00  0.00           C
ATOM    132  CD  GLN A   8      27.485  39.750  28.607  1.00  0.00           C
ATOM    133  OE1 GLN A   8      27.939  39.850  29.740  1.00  0.00           O
ATOM    134  NE2 GLN A   8      28.065  40.436  27.619  1.00  0.00           N
ATOM      0  H   GLN A   8      26.607  36.450  25.170  1.00  0.00           H   new
ATOM      0  HA  GLN A   8      24.869  36.685  27.409  1.00  0.00           H   new
ATOM      0  HB2 GLN A   8      27.343  37.517  27.066  1.00  0.00           H   new
ATOM      0  HB3 GLN A   8      26.638  38.836  26.151  1.00  0.00           H   new
ATOM      0  HG2 GLN A   8      25.393  39.583  28.149  1.00  0.00           H   new
ATOM      0  HG3 GLN A   8      26.032  38.237  29.070  1.00  0.00           H   new
ATOM      0 HE21 GLN A   8      27.702  40.366  26.668  1.00  0.00           H   new
ATOM      0 HE22 GLN A   8      28.871  41.030  27.815  1.00  0.00           H   new