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  102:sc=     1.2
USER  MOD Set 1.2: A   6 GLN     :      amide:sc=   0.633  K(o=1.8,f=-0.76)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   SER A   5       0.423  -3.115  -2.688  1.00  0.00           N
ATOM     60  CA  SER A   5      -0.356  -4.120  -2.017  1.00  0.00           C
ATOM     61  C   SER A   5      -0.089  -4.072  -0.535  1.00  0.00           C
ATOM     62  O   SER A   5      -0.528  -4.945   0.212  1.00  0.00           O
ATOM     63  CB  SER A   5       0.030  -5.511  -2.570  1.00  0.00           C
ATOM     64  OG  SER A   5       1.427  -5.573  -2.868  1.00  0.00           O
ATOM      0  HA  SER A   5      -1.416  -3.935  -2.191  1.00  0.00           H   new
ATOM      0  HB2 SER A   5      -0.225  -6.280  -1.841  1.00  0.00           H   new
ATOM      0  HB3 SER A   5      -0.547  -5.722  -3.470  1.00  0.00           H   new
ATOM      0  HG  SER A   5       1.893  -6.057  -2.154  1.00  0.00           H   new
ATOM     70  N   GLN A   6       0.652  -3.049  -0.066  1.00  0.00           N
ATOM     71  CA  GLN A   6       0.962  -2.874   1.320  1.00  0.00           C
ATOM     72  C   GLN A   6       0.840  -1.394   1.402  1.00  0.00           C
ATOM     73  O   GLN A   6       0.747  -0.736   0.363  1.00  0.00           O
ATOM     74  CB  GLN A   6       2.411  -3.245   1.764  1.00  0.00           C
ATOM     75  CG  GLN A   6       2.865  -4.689   1.453  1.00  0.00           C
ATOM     76  CD  GLN A   6       3.195  -4.896  -0.031  1.00  0.00           C
ATOM     77  OE1 GLN A   6       2.711  -5.848  -0.656  1.00  0.00           O
ATOM     78  NE2 GLN A   6       4.022  -3.981  -0.612  1.00  0.00           N
ATOM      0  H   GLN A   6       1.045  -2.325  -0.667  1.00  0.00           H   new
ATOM      0  HA  GLN A   6       0.334  -3.507   1.947  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6       3.105  -2.555   1.283  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6       2.493  -3.083   2.839  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6       3.743  -4.927   2.053  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6       2.079  -5.385   1.747  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6       4.399  -3.211  -0.059  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6       4.264  -4.066  -1.599  1.00  0.00           H   new