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=  -0.875  K(o=-0.87,f=-0.1)
USER  MOD -----------------------------------------------------------------
ATOM    112  N   PRO A   7      26.848  34.553  23.690  1.00  0.00           N
ATOM    113  CA  PRO A   7      25.852  33.857  24.484  1.00  0.00           C
ATOM    114  C   PRO A   7      25.082  34.587  25.574  1.00  0.00           C
ATOM    115  O   PRO A   7      24.284  33.936  26.250  1.00  0.00           O
ATOM    116  CB  PRO A   7      26.560  32.676  25.143  1.00  0.00           C
ATOM    117  CG  PRO A   7      27.881  32.554  24.396  1.00  0.00           C
ATOM    118  CD  PRO A   7      28.156  33.981  23.930  1.00  0.00           C
ATOM      0  HA  PRO A   7      25.073  33.632  23.756  1.00  0.00           H   new
ATOM      0  HB2 PRO A   7      26.721  32.854  26.206  1.00  0.00           H   new
ATOM      0  HB3 PRO A   7      25.971  31.763  25.058  1.00  0.00           H   new
ATOM      0  HG2 PRO A   7      28.676  32.182  25.043  1.00  0.00           H   new
ATOM      0  HG3 PRO A   7      27.805  31.864  23.555  1.00  0.00           H   new
ATOM      0  HD2 PRO A   7      28.701  34.545  24.686  1.00  0.00           H   new
ATOM      0  HD3 PRO A   7      28.764  33.991  23.025  1.00  0.00           H   new
ATOM    126  N   GLN A   8      25.329  35.875  25.830  1.00  0.00           N
ATOM    127  CA  GLN A   8      24.588  36.775  26.696  1.00  0.00           C
ATOM    128  C   GLN A   8      23.752  37.785  25.937  1.00  0.00           C
ATOM    129  O   GLN A   8      22.960  38.488  26.565  1.00  0.00           O
ATOM    130  CB  GLN A   8      25.585  37.484  27.603  1.00  0.00           C
ATOM    131  CG  GLN A   8      26.264  36.628  28.667  1.00  0.00           C
ATOM    132  CD  GLN A   8      27.459  35.814  28.204  1.00  0.00           C
ATOM    133  OE1 GLN A   8      27.646  34.649  28.554  1.00  0.00           O
ATOM    134  NE2 GLN A   8      28.289  36.449  27.370  1.00  0.00           N
ATOM      0  H   GLN A   8      26.122  36.348  25.396  1.00  0.00           H   new
ATOM      0  HA  GLN A   8      23.880  36.183  27.276  1.00  0.00           H   new
ATOM      0  HB2 GLN A   8      26.359  37.929  26.978  1.00  0.00           H   new
ATOM      0  HB3 GLN A   8      25.069  38.304  28.103  1.00  0.00           H   new
ATOM      0  HG2 GLN A   8      26.586  37.280  29.478  1.00  0.00           H   new
ATOM      0  HG3 GLN A   8      25.523  35.945  29.082  1.00  0.00           H   new
ATOM      0 HE21 GLN A   8      28.102  37.415  27.102  1.00  0.00           H   new
ATOM      0 HE22 GLN A   8      29.109  35.967  27.002  1.00  0.00           H   new