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   21:sc=    0.33
USER  MOD Single : A   6 GLN     :      amide:sc=   0.997  K(o=1,f=-0.17)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   SER A   5       1.676  -2.440  -1.511  1.00  0.00           N
ATOM     60  CA  SER A   5       2.248  -3.188  -0.424  1.00  0.00           C
ATOM     61  C   SER A   5       1.084  -3.614   0.427  1.00  0.00           C
ATOM     62  O   SER A   5       0.828  -4.793   0.661  1.00  0.00           O
ATOM     63  CB  SER A   5       3.230  -2.312   0.385  1.00  0.00           C
ATOM     64  OG  SER A   5       4.034  -1.512  -0.480  1.00  0.00           O
ATOM      0  HA  SER A   5       2.820  -4.045  -0.780  1.00  0.00           H   new
ATOM      0  HB2 SER A   5       2.673  -1.669   1.067  1.00  0.00           H   new
ATOM      0  HB3 SER A   5       3.870  -2.947   0.997  1.00  0.00           H   new
ATOM      0  HG  SER A   5       3.589  -1.421  -1.349  1.00  0.00           H   new
ATOM     70  N   GLN A   6       0.315  -2.596   0.837  1.00  0.00           N
ATOM     71  CA  GLN A   6      -1.046  -2.641   1.262  1.00  0.00           C
ATOM     72  C   GLN A   6      -1.336  -1.226   0.860  1.00  0.00           C
ATOM     73  O   GLN A   6      -0.388  -0.473   0.604  1.00  0.00           O
ATOM     74  CB  GLN A   6      -1.305  -2.800   2.785  1.00  0.00           C
ATOM     75  CG  GLN A   6      -0.951  -4.184   3.376  1.00  0.00           C
ATOM     76  CD  GLN A   6      -1.873  -5.282   2.824  1.00  0.00           C
ATOM     77  OE1 GLN A   6      -2.973  -5.499   3.341  1.00  0.00           O
ATOM     78  NE2 GLN A   6      -1.409  -5.977   1.747  1.00  0.00           N
ATOM      0  H   GLN A   6       0.685  -1.646   0.874  1.00  0.00           H   new
ATOM      0  HA  GLN A   6      -1.617  -3.480   0.864  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6      -0.732  -2.040   3.315  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6      -2.358  -2.599   2.980  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6       0.086  -4.426   3.143  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6      -1.034  -4.149   4.462  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6      -0.492  -5.760   1.356  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6      -1.979  -6.714   1.332  1.00  0.00           H   new