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   34:sc=   0.114
USER  MOD Single : A   6 GLN     :      amide:sc=  -0.738  K(o=-0.74,f=-1.6)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   SER A   5       0.233  -3.280  -2.485  1.00  0.00           N
ATOM     60  CA  SER A   5      -0.923  -3.865  -1.882  1.00  0.00           C
ATOM     61  C   SER A   5      -0.532  -4.021  -0.447  1.00  0.00           C
ATOM     62  O   SER A   5      -0.955  -4.942   0.247  1.00  0.00           O
ATOM     63  CB  SER A   5      -1.210  -5.224  -2.544  1.00  0.00           C
ATOM     64  OG  SER A   5      -1.419  -5.036  -3.945  1.00  0.00           O
ATOM      0  HA  SER A   5      -1.830  -3.271  -1.992  1.00  0.00           H   new
ATOM      0  HB2 SER A   5      -0.375  -5.905  -2.378  1.00  0.00           H   new
ATOM      0  HB3 SER A   5      -2.090  -5.682  -2.092  1.00  0.00           H   new
ATOM      0  HG  SER A   5      -0.845  -4.310  -4.267  1.00  0.00           H   new
ATOM     70  N   GLN A   6       0.323  -3.088   0.014  1.00  0.00           N
ATOM     71  CA  GLN A   6       0.828  -2.979   1.338  1.00  0.00           C
ATOM     72  C   GLN A   6       0.947  -1.495   1.322  1.00  0.00           C
ATOM     73  O   GLN A   6       1.059  -0.925   0.231  1.00  0.00           O
ATOM     74  CB  GLN A   6       2.258  -3.544   1.590  1.00  0.00           C
ATOM     75  CG  GLN A   6       2.650  -4.784   0.749  1.00  0.00           C
ATOM     76  CD  GLN A   6       3.084  -4.374  -0.667  1.00  0.00           C
ATOM     77  OE1 GLN A   6       2.420  -4.689  -1.661  1.00  0.00           O
ATOM     78  NE2 GLN A   6       4.212  -3.612  -0.759  1.00  0.00           N
ATOM      0  H   GLN A   6       0.686  -2.354  -0.595  1.00  0.00           H   new
ATOM      0  HA  GLN A   6       0.221  -3.505   2.075  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6       2.981  -2.752   1.394  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6       2.346  -3.802   2.645  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6       3.462  -5.320   1.241  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6       1.805  -5.470   0.690  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6       4.735  -3.371   0.083  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6       4.532  -3.283  -1.670  1.00  0.00           H   new