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=   -0.16  X(o=-0.16,f=0)
USER  MOD -----------------------------------------------------------------
ATOM    112  N   PRO A   7      26.821  34.600  23.636  1.00  0.00           N
ATOM    113  CA  PRO A   7      25.988  34.051  24.688  1.00  0.00           C
ATOM    114  C   PRO A   7      25.317  35.109  25.538  1.00  0.00           C
ATOM    115  O   PRO A   7      24.264  34.942  26.146  1.00  0.00           O
ATOM    116  CB  PRO A   7      26.922  33.269  25.604  1.00  0.00           C
ATOM    117  CG  PRO A   7      27.849  32.654  24.558  1.00  0.00           C
ATOM    118  CD  PRO A   7      28.012  33.785  23.554  1.00  0.00           C
ATOM      0  HA  PRO A   7      25.201  33.454  24.226  1.00  0.00           H   new
ATOM      0  HB2 PRO A   7      27.452  33.911  26.307  1.00  0.00           H   new
ATOM      0  HB3 PRO A   7      26.397  32.516  26.192  1.00  0.00           H   new
ATOM      0  HG2 PRO A   7      28.804  32.354  24.989  1.00  0.00           H   new
ATOM      0  HG3 PRO A   7      27.412  31.766  24.101  1.00  0.00           H   new
ATOM      0  HD2 PRO A   7      28.900  34.376  23.780  1.00  0.00           H   new
ATOM      0  HD3 PRO A   7      28.140  33.390  22.546  1.00  0.00           H   new
ATOM    126  N   GLN A   8      25.807  36.352  25.612  1.00  0.00           N
ATOM    127  CA  GLN A   8      25.304  37.362  26.525  1.00  0.00           C
ATOM    128  C   GLN A   8      24.304  38.266  25.834  1.00  0.00           C
ATOM    129  O   GLN A   8      23.809  39.169  26.514  1.00  0.00           O
ATOM    130  CB  GLN A   8      26.546  38.107  26.994  1.00  0.00           C
ATOM    131  CG  GLN A   8      26.342  38.862  28.312  1.00  0.00           C
ATOM    132  CD  GLN A   8      27.506  39.780  28.626  1.00  0.00           C
ATOM    133  OE1 GLN A   8      27.975  39.770  29.763  1.00  0.00           O
ATOM    134  NE2 GLN A   8      27.997  40.608  27.703  1.00  0.00           N
ATOM      0  H   GLN A   8      26.575  36.680  25.027  1.00  0.00           H   new
ATOM      0  HA  GLN A   8      24.759  36.938  27.368  1.00  0.00           H   new
ATOM      0  HB2 GLN A   8      27.363  37.396  27.114  1.00  0.00           H   new
ATOM      0  HB3 GLN A   8      26.850  38.814  26.222  1.00  0.00           H   new
ATOM      0  HG2 GLN A   8      25.424  39.447  28.257  1.00  0.00           H   new
ATOM      0  HG3 GLN A   8      26.215  38.146  29.124  1.00  0.00           H   new
ATOM      0 HE21 GLN A   8      27.605  40.613  26.761  1.00  0.00           H   new
ATOM      0 HE22 GLN A   8      28.765  41.237  27.939  1.00  0.00           H   new