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   23:sc=   0.245
USER  MOD Single : A   6 GLN     :      amide:sc=   0.893  K(o=0.89,f=-0.13)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   SER A   5       0.833  -3.443  -2.577  1.00  0.00           N
ATOM     60  CA  SER A   5       0.007  -4.451  -1.972  1.00  0.00           C
ATOM     61  C   SER A   5      -0.416  -4.059  -0.586  1.00  0.00           C
ATOM     62  O   SER A   5      -1.439  -4.533  -0.096  1.00  0.00           O
ATOM     63  CB  SER A   5       0.768  -5.788  -1.861  1.00  0.00           C
ATOM     64  OG  SER A   5       1.400  -6.096  -3.100  1.00  0.00           O
ATOM      0  HA  SER A   5      -0.869  -4.558  -2.612  1.00  0.00           H   new
ATOM      0  HB2 SER A   5       1.514  -5.726  -1.069  1.00  0.00           H   new
ATOM      0  HB3 SER A   5       0.078  -6.586  -1.587  1.00  0.00           H   new
ATOM      0  HG  SER A   5       1.530  -5.272  -3.615  1.00  0.00           H   new
ATOM     70  N   GLN A   6       0.384  -3.214   0.094  1.00  0.00           N
ATOM     71  CA  GLN A   6       0.152  -2.802   1.444  1.00  0.00           C
ATOM     72  C   GLN A   6       0.825  -1.481   1.413  1.00  0.00           C
ATOM     73  O   GLN A   6       1.423  -1.132   0.393  1.00  0.00           O
ATOM     74  CB  GLN A   6       0.875  -3.640   2.529  1.00  0.00           C
ATOM     75  CG  GLN A   6       0.376  -5.088   2.686  1.00  0.00           C
ATOM     76  CD  GLN A   6      -1.013  -5.101   3.336  1.00  0.00           C
ATOM     77  OE1 GLN A   6      -1.118  -5.152   4.564  1.00  0.00           O
ATOM     78  NE2 GLN A   6      -2.088  -5.033   2.501  1.00  0.00           N
ATOM      0  H   GLN A   6       1.224  -2.803  -0.313  1.00  0.00           H   new
ATOM      0  HA  GLN A   6      -0.905  -2.863   1.702  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6       1.940  -3.664   2.296  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6       0.769  -3.131   3.487  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6       0.334  -5.574   1.711  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6       1.077  -5.658   3.296  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6      -1.948  -4.993   1.491  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6      -3.033  -5.022   2.886  1.00  0.00           H   new