USER  MOD reduce.3.24.130724 H: found=0, std=0, add=12, rem=0, adj=1
USER  MOD reduce.3.24.130724 removed 13 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   5 SER OG  :   rot  180:sc=       0
USER  MOD Single : A   6 GLN     :      amide:sc=  -0.364  X(o=-0.36,f=0)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   SER A   5       0.560  -3.034  -2.541  1.00  0.00           N
ATOM     60  CA  SER A   5      -0.010  -4.260  -2.050  1.00  0.00           C
ATOM     61  C   SER A   5      -0.555  -3.876  -0.716  1.00  0.00           C
ATOM     62  O   SER A   5      -1.734  -4.065  -0.432  1.00  0.00           O
ATOM     63  CB  SER A   5       1.009  -5.412  -1.860  1.00  0.00           C
ATOM     64  OG  SER A   5       1.368  -5.961  -3.122  1.00  0.00           O
ATOM      0  HA  SER A   5      -0.737  -4.647  -2.764  1.00  0.00           H   new
ATOM      0  HB2 SER A   5       1.898  -5.041  -1.350  1.00  0.00           H   new
ATOM      0  HB3 SER A   5       0.579  -6.188  -1.227  1.00  0.00           H   new
ATOM      0  HG  SER A   5       2.013  -6.687  -2.991  1.00  0.00           H   new
ATOM     70  N   GLN A   6       0.311  -3.294   0.132  1.00  0.00           N
ATOM     71  CA  GLN A   6      -0.051  -2.777   1.413  1.00  0.00           C
ATOM     72  C   GLN A   6       0.733  -1.514   1.402  1.00  0.00           C
ATOM     73  O   GLN A   6       1.410  -1.237   0.411  1.00  0.00           O
ATOM     74  CB  GLN A   6       0.446  -3.618   2.608  1.00  0.00           C
ATOM     75  CG  GLN A   6      -0.073  -5.072   2.587  1.00  0.00           C
ATOM     76  CD  GLN A   6       0.543  -5.930   3.700  1.00  0.00           C
ATOM     77  OE1 GLN A   6       0.834  -7.115   3.499  1.00  0.00           O
ATOM     78  NE2 GLN A   6       0.733  -5.322   4.905  1.00  0.00           N
ATOM      0  H   GLN A   6       1.301  -3.180  -0.084  1.00  0.00           H   new
ATOM      0  HA  GLN A   6      -1.132  -2.721   1.541  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6       1.536  -3.628   2.608  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6       0.131  -3.140   3.536  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6      -1.158  -5.069   2.693  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6       0.152  -5.521   1.620  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6       0.479  -4.342   5.027  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6       1.129  -5.847   5.684  1.00  0.00           H   new