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=   0.128
USER  MOD Single : A   6 GLN     :      amide:sc=  -0.161  K(o=-0.16,f=-1.9)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   SER A   5       0.508  -3.309  -2.650  1.00  0.00           N
ATOM     60  CA  SER A   5      -0.450  -4.184  -2.017  1.00  0.00           C
ATOM     61  C   SER A   5      -0.258  -4.084  -0.532  1.00  0.00           C
ATOM     62  O   SER A   5      -0.734  -4.925   0.228  1.00  0.00           O
ATOM     63  CB  SER A   5      -0.209  -5.662  -2.398  1.00  0.00           C
ATOM     64  OG  SER A   5      -0.134  -5.817  -3.809  1.00  0.00           O
ATOM      0  HA  SER A   5      -1.448  -3.885  -2.338  1.00  0.00           H   new
ATOM      0  HB2 SER A   5       0.716  -6.014  -1.940  1.00  0.00           H   new
ATOM      0  HB3 SER A   5      -1.015  -6.280  -2.003  1.00  0.00           H   new
ATOM      0  HG  SER A   5       0.118  -4.963  -4.219  1.00  0.00           H   new
ATOM     70  N   GLN A   6       0.497  -3.067  -0.092  1.00  0.00           N
ATOM     71  CA  GLN A   6       0.914  -2.873   1.258  1.00  0.00           C
ATOM     72  C   GLN A   6       0.844  -1.397   1.315  1.00  0.00           C
ATOM     73  O   GLN A   6       0.697  -0.760   0.269  1.00  0.00           O
ATOM     74  CB  GLN A   6       2.394  -3.239   1.571  1.00  0.00           C
ATOM     75  CG  GLN A   6       2.769  -4.707   1.301  1.00  0.00           C
ATOM     76  CD  GLN A   6       3.023  -4.959  -0.193  1.00  0.00           C
ATOM     77  OE1 GLN A   6       3.045  -4.047  -1.028  1.00  0.00           O
ATOM     78  NE2 GLN A   6       3.225  -6.265  -0.534  1.00  0.00           N
ATOM      0  H   GLN A   6       0.837  -2.336  -0.717  1.00  0.00           H   new
ATOM      0  HA  GLN A   6       0.322  -3.480   1.943  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6       3.045  -2.598   0.977  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6       2.595  -3.015   2.619  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6       3.661  -4.966   1.871  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6       1.967  -5.358   1.649  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6       3.199  -6.989   0.184  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6       3.402  -6.517  -1.507  1.00  0.00           H   new