USER  MOD reduce.3.24.130724 H: found=0, std=0, add=28, rem=0, adj=0
USER  MOD reduce.3.24.130724 removed 29 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   4 ASN     :      amide:sc=       0  X(o=0,f=-0.074)
USER  MOD -----------------------------------------------------------------
ATOM     38  N   ASN A   4      -2.437   7.519  -3.166  1.00 22.43           N
ATOM     39  CA  ASN A   4      -2.838   8.900  -2.925  1.00  4.03           C
ATOM     40  C   ASN A   4      -3.839   9.367  -3.976  1.00 54.14           C
ATOM     41  O   ASN A   4      -3.951   8.795  -5.061  1.00 33.44           O
ATOM     42  CB  ASN A   4      -1.612   9.817  -2.929  1.00 35.54           C
ATOM     43  CG  ASN A   4      -0.545   9.351  -3.900  1.00 31.21           C
ATOM     44  OD1 ASN A   4       0.289   8.509  -3.566  1.00  3.40           O
ATOM     45  ND2 ASN A   4      -0.567   9.898  -5.110  1.00 31.41           N
ATOM      0  HA  ASN A   4      -3.316   8.948  -1.947  1.00  4.03           H   new
ATOM      0  HB2 ASN A   4      -1.920  10.830  -3.190  1.00 35.54           H   new
ATOM      0  HB3 ASN A   4      -1.191   9.861  -1.924  1.00 35.54           H   new
ATOM      0 HD21 ASN A   4       0.126   9.624  -5.806  1.00 31.41           H   new
ATOM      0 HD22 ASN A   4      -1.277  10.592  -5.343  1.00 31.41           H   new
ATOM     52  N   PRO A   5      -4.586  10.433  -3.651  1.00 24.05           N
ATOM     53  CA  PRO A   5      -5.590  11.002  -4.554  1.00 35.33           C
ATOM     54  C   PRO A   5      -4.962  11.688  -5.762  1.00  0.24           C
ATOM     55  O   PRO A   5      -3.756  11.930  -5.810  1.00 42.43           O
ATOM     56  CB  PRO A   5      -6.318  12.024  -3.676  1.00 60.44           C
ATOM     57  CG  PRO A   5      -5.326  12.399  -2.630  1.00 40.45           C
ATOM     58  CD  PRO A   5      -4.505  11.165  -2.376  1.00 15.35           C
ATOM      0  HA  PRO A   5      -6.243  10.236  -4.971  1.00 35.33           H   new
ATOM      0  HB2 PRO A   5      -6.630  12.893  -4.255  1.00 60.44           H   new
ATOM      0  HB3 PRO A   5      -7.218  11.596  -3.233  1.00 60.44           H   new
ATOM      0  HG2 PRO A   5      -4.697  13.224  -2.966  1.00 40.45           H   new
ATOM      0  HG3 PRO A   5      -5.825  12.730  -1.719  1.00 40.45           H   new
ATOM      0  HD2 PRO A   5      -3.475  11.413  -2.120  1.00 15.35           H   new
ATOM      0  HD3 PRO A   5      -4.906  10.578  -1.550  1.00 15.35           H   new
ATOM     66  N   PRO A   6      -5.797  12.010  -6.761  1.00  3.52           N
ATOM     67  CA  PRO A   6      -5.345  12.675  -7.987  1.00 25.22           C
ATOM     68  C   PRO A   6      -4.923  14.120  -7.742  1.00 32.33           C
ATOM     69  O   PRO A   6      -5.717  15.045  -7.910  1.00 41.54           O
ATOM     70  CB  PRO A   6      -6.577  12.624  -8.893  1.00 60.42           C
ATOM     71  CG  PRO A   6      -7.732  12.537  -7.957  1.00 15.31           C
ATOM     72  CD  PRO A   6      -7.246  11.752  -6.770  1.00 73.34           C
ATOM      0  HA  PRO A   6      -4.466  12.191  -8.412  1.00 25.22           H   new
ATOM      0  HB2 PRO A   6      -6.643  13.512  -9.522  1.00 60.42           H   new
ATOM      0  HB3 PRO A   6      -6.542  11.763  -9.560  1.00 60.42           H   new
ATOM      0  HG2 PRO A   6      -8.067  13.530  -7.657  1.00 15.31           H   new
ATOM      0  HG3 PRO A   6      -8.581  12.044  -8.430  1.00 15.31           H   new
ATOM      0  HD2 PRO A   6      -7.719  12.086  -5.847  1.00 73.34           H   new
ATOM      0  HD3 PRO A   6      -7.464  10.689  -6.874  1.00 73.34           H   new
ATOM     80  N   VAL A   7      -3.669  14.306  -7.343  1.00 41.10           N
ATOM     81  CA  VAL A   7      -3.142  15.639  -7.076  1.00 64.02           C
ATOM     82  C   VAL A   7      -1.720  15.784  -7.608  1.00 11.15           C
ATOM     83  O   VAL A   7      -0.747  15.802  -6.853  1.00 35.22           O
ATOM     84  CB  VAL A   7      -3.149  15.954  -5.569  1.00 11.15           C
ATOM     85  CG1 VAL A   7      -2.750  17.401  -5.323  1.00 43.13           C
ATOM     86  CG2 VAL A   7      -4.517  15.661  -4.970  1.00 43.12           C
ATOM      0  H   VAL A   7      -2.999  13.551  -7.198  1.00 41.10           H   new
ATOM      0  HA  VAL A   7      -3.793  16.346  -7.590  1.00 64.02           H   new
ATOM      0  HB  VAL A   7      -2.417  15.312  -5.079  1.00 11.15           H   new
ATOM      0 HG11 VAL A   7      -2.761  17.604  -4.252  1.00 43.13           H   new
ATOM      0 HG12 VAL A   7      -1.748  17.574  -5.715  1.00 43.13           H   new
ATOM      0 HG13 VAL A   7      -3.455  18.063  -5.825  1.00 43.13           H   new
ATOM      0 HG21 VAL A   7      -4.504  15.889  -3.904  1.00 43.12           H   new
ATOM      0 HG22 VAL A   7      -5.270  16.276  -5.464  1.00 43.12           H   new
ATOM      0 HG23 VAL A   7      -4.759  14.608  -5.113  1.00 43.12           H   new