USER  MOD reduce.3.24.130724 H: found=0, std=0, add=24, rem=0, adj=0
USER  MOD reduce.3.24.130724 removed 25 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 GLN     :      amide:sc= -0.0518  X(o=-0.052,f=0)
USER  MOD -----------------------------------------------------------------
ATOM     59  N   GLN A   5      22.255  22.978  22.461  1.00  0.00           N
ATOM     60  CA  GLN A   5      23.677  22.563  22.609  1.00  0.00           C
ATOM     61  C   GLN A   5      24.459  23.169  21.423  1.00  0.00           C
ATOM     62  O   GLN A   5      24.008  23.052  20.304  1.00  0.00           O
ATOM     63  CB  GLN A   5      23.733  20.987  22.616  1.00  0.00           C
ATOM     64  CG  GLN A   5      24.033  20.371  24.028  1.00  0.00           C
ATOM     65  CD  GLN A   5      22.751  20.227  24.865  1.00  0.00           C
ATOM     66  OE1 GLN A   5      22.324  19.148  25.230  1.00  0.00           O
ATOM     67  NE2 GLN A   5      22.093  21.300  25.187  1.00  0.00           N
ATOM      0  HA  GLN A   5      24.122  22.917  23.539  1.00  0.00           H   new
ATOM      0  HB2 GLN A   5      22.781  20.597  22.254  1.00  0.00           H   new
ATOM      0  HB3 GLN A   5      24.500  20.657  21.915  1.00  0.00           H   new
ATOM      0  HG2 GLN A   5      24.502  19.394  23.908  1.00  0.00           H   new
ATOM      0  HG3 GLN A   5      24.745  21.003  24.558  1.00  0.00           H   new
ATOM      0 HE21 GLN A   5      22.433  22.215  24.891  1.00  0.00           H   new
ATOM      0 HE22 GLN A   5      21.236  21.227  25.736  1.00  0.00           H   new
ATOM     76  N   PRO A   6      25.585  23.794  21.662  1.00  0.00           N
ATOM     77  CA  PRO A   6      26.340  24.559  20.621  1.00  0.00           C
ATOM     78  C   PRO A   6      26.715  23.804  19.334  1.00  0.00           C
ATOM     79  O   PRO A   6      26.962  24.398  18.299  1.00  0.00           O
ATOM     80  CB  PRO A   6      27.605  25.082  21.301  1.00  0.00           C
ATOM     81  CG  PRO A   6      27.620  24.491  22.745  1.00  0.00           C
ATOM     82  CD  PRO A   6      26.268  23.807  22.990  1.00  0.00           C
ATOM      0  HA  PRO A   6      25.670  25.339  20.261  1.00  0.00           H   new
ATOM      0  HB2 PRO A   6      28.494  24.777  20.750  1.00  0.00           H   new
ATOM      0  HB3 PRO A   6      27.606  26.172  21.330  1.00  0.00           H   new
ATOM      0  HG2 PRO A   6      28.435  23.776  22.856  1.00  0.00           H   new
ATOM      0  HG3 PRO A   6      27.787  25.280  23.478  1.00  0.00           H   new
ATOM      0  HD2 PRO A   6      26.403  22.795  23.373  1.00  0.00           H   new
ATOM      0  HD3 PRO A   6      25.680  24.351  23.729  1.00  0.00           H   new
ATOM     90  N   TRP A   7      26.762  22.512  19.488  1.00  0.00           N
ATOM     91  CA  TRP A   7      27.119  21.575  18.388  1.00  0.00           C
ATOM     92  C   TRP A   7      26.004  20.557  18.201  1.00  0.00           C
ATOM     93  O   TRP A   7      26.215  19.580  17.506  1.00  0.00           O
ATOM     94  CB  TRP A   7      28.437  20.871  18.790  1.00  0.00           C
ATOM     95  CG  TRP A   7      28.137  19.597  19.607  1.00  0.00           C
ATOM     96  CD1 TRP A   7      28.211  18.354  19.074  1.00  0.00           C
ATOM     97  CD2 TRP A   7      27.789  19.489  20.899  1.00  0.00           C
ATOM     98  NE1 TRP A   7      27.918  17.563  20.091  1.00  0.00           N
ATOM     99  CE2 TRP A   7      27.640  18.152  21.246  1.00  0.00           C
ATOM    100  CE3 TRP A   7      27.574  20.481  21.843  1.00  0.00           C
ATOM    101  CZ2 TRP A   7      27.292  17.796  22.537  1.00  0.00           C
ATOM    102  CZ3 TRP A   7      27.222  20.139  23.146  1.00  0.00           C
ATOM    103  CH2 TRP A   7      27.080  18.798  23.496  1.00  0.00           C
ATOM      0  H   TRP A   7      26.558  22.047  20.373  1.00  0.00           H   new
ATOM      0  HA  TRP A   7      27.249  22.107  17.446  1.00  0.00           H   new
ATOM      0  HB2 TRP A   7      29.006  20.613  17.897  1.00  0.00           H   new
ATOM      0  HB3 TRP A   7      29.055  21.550  19.377  1.00  0.00           H   new
ATOM      0  HD1 TRP A   7      28.452  18.076  18.059  1.00  0.00           H   new
ATOM      0  HE1 TRP A   7      27.906  16.548  19.992  1.00  0.00           H   new
ATOM      0  HE3 TRP A   7      27.680  21.520  21.568  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   7      27.184  16.755  22.804  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   7      27.059  20.911  23.883  1.00  0.00           H   new
ATOM      0  HH2 TRP A   7      26.807  18.530  24.506  1.00  0.00           H   new