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 Set 1.1: A   5 SER OG  :   rot   92:sc=    1.18
USER  MOD Set 1.2: A   6 GLN     :      amide:sc=   0.998  K(o=2.2,f=-0.64)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   SER A   5       0.232  -3.092  -2.616  1.00  0.00           N
ATOM     60  CA  SER A   5      -0.651  -4.021  -1.963  1.00  0.00           C
ATOM     61  C   SER A   5      -0.335  -4.013  -0.496  1.00  0.00           C
ATOM     62  O   SER A   5      -0.915  -4.765   0.285  1.00  0.00           O
ATOM     63  CB  SER A   5      -0.434  -5.446  -2.529  1.00  0.00           C
ATOM     64  OG  SER A   5       0.950  -5.696  -2.776  1.00  0.00           O
ATOM      0  HA  SER A   5      -1.688  -3.732  -2.133  1.00  0.00           H   new
ATOM      0  HB2 SER A   5      -0.820  -6.183  -1.825  1.00  0.00           H   new
ATOM      0  HB3 SER A   5      -0.999  -5.563  -3.454  1.00  0.00           H   new
ATOM      0  HG  SER A   5       1.355  -6.106  -1.983  1.00  0.00           H   new
ATOM     70  N   GLN A   6       0.614  -3.149  -0.094  1.00  0.00           N
ATOM     71  CA  GLN A   6       1.030  -2.983   1.260  1.00  0.00           C
ATOM     72  C   GLN A   6       0.965  -1.499   1.333  1.00  0.00           C
ATOM     73  O   GLN A   6       0.899  -0.846   0.289  1.00  0.00           O
ATOM     74  CB  GLN A   6       2.486  -3.428   1.569  1.00  0.00           C
ATOM     75  CG  GLN A   6       2.752  -4.944   1.421  1.00  0.00           C
ATOM     76  CD  GLN A   6       2.876  -5.381  -0.043  1.00  0.00           C
ATOM     77  OE1 GLN A   6       2.098  -6.210  -0.530  1.00  0.00           O
ATOM     78  NE2 GLN A   6       3.880  -4.811  -0.768  1.00  0.00           N
ATOM      0  H   GLN A   6       1.112  -2.540  -0.743  1.00  0.00           H   new
ATOM      0  HA  GLN A   6       0.433  -3.573   1.956  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6       3.163  -2.889   0.906  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6       2.733  -3.129   2.588  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6       3.668  -5.202   1.952  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6       1.942  -5.499   1.895  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6       4.502  -4.131  -0.331  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6       4.009  -5.065  -1.747  1.00  0.00           H   new