USER  MOD reduce.3.24.130724 H: found=0, std=0, add=86, rem=0, adj=4
USER  MOD reduce.3.24.130724 removed 87 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 258 THR OG1 :   rot   76:sc=    1.25
USER  MOD Single : A 259 THR OG1 :   rot  -76:sc=    1.17
USER  MOD Single : A 262 THR OG1 :   rot   54:sc=     1.3
USER  MOD Single : A 263 MET CE  :methyl  154:sc=  -0.175   (180deg=-0.891)
USER  MOD -----------------------------------------------------------------
ATOM     61  N   VAL A 253       0.721  -5.204  -4.846  1.00  2.00           N
ATOM     62  CA  VAL A 253       1.867  -4.322  -4.632  1.00  2.06           C
ATOM     63  C   VAL A 253       1.767  -3.087  -5.526  1.00  1.95           C
ATOM     64  O   VAL A 253       1.899  -1.956  -5.055  1.00  1.84           O
ATOM     65  CB  VAL A 253       3.199  -5.052  -4.912  1.00  2.40           C
ATOM     66  CG1 VAL A 253       4.390  -4.145  -4.629  1.00  2.54           C
ATOM     67  CG2 VAL A 253       3.291  -6.329  -4.090  1.00  2.53           C
ATOM      0  HA  VAL A 253       1.852  -4.015  -3.586  1.00  2.06           H   new
ATOM      0  HB  VAL A 253       3.223  -5.318  -5.969  1.00  2.40           H   new
ATOM      0 HG11 VAL A 253       5.315  -4.684  -4.834  1.00  2.54           H   new
ATOM      0 HG12 VAL A 253       4.335  -3.263  -5.267  1.00  2.54           H   new
ATOM      0 HG13 VAL A 253       4.373  -3.838  -3.583  1.00  2.54           H   new
ATOM      0 HG21 VAL A 253       4.236  -6.830  -4.300  1.00  2.53           H   new
ATOM      0 HG22 VAL A 253       3.239  -6.083  -3.029  1.00  2.53           H   new
ATOM      0 HG23 VAL A 253       2.464  -6.990  -4.351  1.00  2.53           H   new
ATOM     77  N   GLY A 254       1.507  -3.317  -6.813  1.00  2.03           N
ATOM     78  CA  GLY A 254       1.363  -2.222  -7.763  1.00  1.98           C
ATOM     79  C   GLY A 254       0.247  -1.270  -7.368  1.00  1.68           C
ATOM     80  O   GLY A 254       0.441  -0.053  -7.335  1.00  1.58           O
ATOM      0  H   GLY A 254       1.393  -4.247  -7.217  1.00  2.03           H   new
ATOM      0  HA2 GLY A 254       2.302  -1.673  -7.828  1.00  1.98           H   new
ATOM      0  HA3 GLY A 254       1.161  -2.626  -8.755  1.00  1.98           H   new
ATOM     84  N   LEU A 255      -0.913  -1.832  -7.032  1.00  1.58           N
ATOM     85  CA  LEU A 255      -2.056  -1.034  -6.598  1.00  1.34           C
ATOM     86  C   LEU A 255      -1.723  -0.250  -5.338  1.00  1.15           C
ATOM     87  O   LEU A 255      -2.044   0.934  -5.215  1.00  1.00           O
ATOM     88  CB  LEU A 255      -3.257  -1.928  -6.325  1.00  1.39           C
ATOM     89  CG  LEU A 255      -4.225  -2.060  -7.489  1.00  1.58           C
ATOM     90  CD1 LEU A 255      -5.374  -2.977  -7.111  1.00  1.74           C
ATOM     91  CD2 LEU A 255      -4.736  -0.685  -7.891  1.00  1.53           C
ATOM      0  H   LEU A 255      -1.085  -2.837  -7.052  1.00  1.58           H   new
ATOM      0  HA  LEU A 255      -2.296  -0.336  -7.400  1.00  1.34           H   new
ATOM      0  HB2 LEU A 255      -2.900  -2.921  -6.052  1.00  1.39           H   new
ATOM      0  HB3 LEU A 255      -3.797  -1.536  -5.463  1.00  1.39           H   new
ATOM      0  HG  LEU A 255      -3.707  -2.499  -8.342  1.00  1.58           H   new
ATOM      0 HD11 LEU A 255      -6.062  -3.064  -7.952  1.00  1.74           H   new
ATOM      0 HD12 LEU A 255      -4.984  -3.963  -6.857  1.00  1.74           H   new
ATOM      0 HD13 LEU A 255      -5.902  -2.563  -6.252  1.00  1.74           H   new
ATOM      0 HD21 LEU A 255      -5.430  -0.784  -8.726  1.00  1.53           H   new
ATOM      0 HD22 LEU A 255      -5.249  -0.226  -7.046  1.00  1.53           H   new
ATOM      0 HD23 LEU A 255      -3.896  -0.058  -8.190  1.00  1.53           H   new
ATOM    103  N   GLY A 256      -1.077  -0.926  -4.398  1.00  1.22           N
ATOM    104  CA  GLY A 256      -0.707  -0.298  -3.153  1.00  1.17           C
ATOM    105  C   GLY A 256       0.267   0.856  -3.335  1.00  1.25           C
ATOM    106  O   GLY A 256       0.015   1.956  -2.852  1.00  1.15           O
ATOM      0  H   GLY A 256      -0.803  -1.905  -4.480  1.00  1.22           H   new
ATOM      0  HA2 GLY A 256      -1.606   0.067  -2.656  1.00  1.17           H   new
ATOM      0  HA3 GLY A 256      -0.260  -1.043  -2.495  1.00  1.17           H   new
ATOM    110  N   ILE A 257       1.374   0.625  -4.041  1.00  1.48           N
ATOM    111  CA  ILE A 257       2.351   1.692  -4.262  1.00  1.64           C
ATOM    112  C   ILE A 257       1.747   2.836  -5.086  1.00  1.47           C
ATOM    113  O   ILE A 257       2.021   4.005  -4.822  1.00  1.51           O
ATOM    114  CB  ILE A 257       3.663   1.180  -4.918  1.00  1.96           C
ATOM    115  CG1 ILE A 257       3.415   0.531  -6.285  1.00  2.01           C
ATOM    116  CG2 ILE A 257       4.364   0.198  -3.992  1.00  2.15           C
ATOM    117  CD1 ILE A 257       3.674   1.456  -7.457  1.00  2.09           C
ATOM      0  H   ILE A 257       1.614  -0.272  -4.462  1.00  1.48           H   new
ATOM      0  HA  ILE A 257       2.616   2.074  -3.276  1.00  1.64           H   new
ATOM      0  HB  ILE A 257       4.303   2.047  -5.082  1.00  1.96           H   new
ATOM      0 HG12 ILE A 257       4.052  -0.348  -6.380  1.00  2.01           H   new
ATOM      0 HG13 ILE A 257       2.383   0.183  -6.330  1.00  2.01           H   new
ATOM      0 HG21 ILE A 257       5.282  -0.154  -4.463  1.00  2.15           H   new
ATOM      0 HG22 ILE A 257       4.605   0.693  -3.052  1.00  2.15           H   new
ATOM      0 HG23 ILE A 257       3.708  -0.650  -3.797  1.00  2.15           H   new
ATOM      0 HD11 ILE A 257       3.477   0.926  -8.389  1.00  2.09           H   new
ATOM      0 HD12 ILE A 257       3.018   2.324  -7.387  1.00  2.09           H   new
ATOM      0 HD13 ILE A 257       4.713   1.784  -7.439  1.00  2.09           H   new
ATOM    129  N   THR A 258       0.912   2.493  -6.069  1.00  1.36           N
ATOM    130  CA  THR A 258       0.261   3.498  -6.914  1.00  1.25           C
ATOM    131  C   THR A 258      -0.687   4.377  -6.096  1.00  0.98           C
ATOM    132  O   THR A 258      -0.654   5.605  -6.196  1.00  0.98           O
ATOM    133  CB  THR A 258      -0.531   2.847  -8.069  1.00  1.30           C
ATOM    134  OG1 THR A 258       0.338   2.031  -8.864  1.00  1.59           O
ATOM    135  CG2 THR A 258      -1.184   3.902  -8.950  1.00  1.28           C
ATOM      0  H   THR A 258       0.671   1.529  -6.300  1.00  1.36           H   new
ATOM      0  HA  THR A 258       1.056   4.114  -7.334  1.00  1.25           H   new
ATOM      0  HB  THR A 258      -1.314   2.228  -7.631  1.00  1.30           H   new
ATOM      0  HG1 THR A 258       0.526   1.194  -8.390  1.00  1.59           H   new
ATOM      0 HG21 THR A 258      -1.735   3.414  -9.754  1.00  1.28           H   new
ATOM      0 HG22 THR A 258      -1.870   4.501  -8.352  1.00  1.28           H   new
ATOM      0 HG23 THR A 258      -0.415   4.547  -9.376  1.00  1.28           H   new
ATOM    143  N   THR A 259      -1.524   3.744  -5.274  1.00  0.82           N
ATOM    144  CA  THR A 259      -2.467   4.480  -4.433  1.00  0.65           C
ATOM    145  C   THR A 259      -1.726   5.332  -3.410  1.00  0.78           C
ATOM    146  O   THR A 259      -2.046   6.506  -3.225  1.00  0.80           O
ATOM    147  CB  THR A 259      -3.459   3.545  -3.712  1.00  0.60           C
ATOM    148  OG1 THR A 259      -2.762   2.472  -3.070  1.00  0.70           O
ATOM    149  CG2 THR A 259      -4.478   2.983  -4.691  1.00  0.70           C
ATOM      0  H   THR A 259      -1.568   2.730  -5.173  1.00  0.82           H   new
ATOM      0  HA  THR A 259      -3.041   5.127  -5.096  1.00  0.65           H   new
ATOM      0  HB  THR A 259      -3.984   4.130  -2.956  1.00  0.60           H   new
ATOM      0  HG1 THR A 259      -2.489   1.812  -3.741  1.00  0.70           H   new
ATOM      0 HG21 THR A 259      -5.168   2.326  -4.161  1.00  0.70           H   new
ATOM      0 HG22 THR A 259      -5.035   3.802  -5.147  1.00  0.70           H   new
ATOM      0 HG23 THR A 259      -3.963   2.418  -5.468  1.00  0.70           H   new
ATOM    157  N   VAL A 260      -0.715   4.747  -2.769  1.00  0.98           N
ATOM    158  CA  VAL A 260       0.088   5.472  -1.791  1.00  1.22           C
ATOM    159  C   VAL A 260       0.799   6.655  -2.455  1.00  1.34           C
ATOM    160  O   VAL A 260       0.719   7.782  -1.965  1.00  1.44           O
ATOM    161  CB  VAL A 260       1.127   4.553  -1.115  1.00  1.46           C
ATOM    162  CG1 VAL A 260       2.100   5.361  -0.269  1.00  1.77           C
ATOM    163  CG2 VAL A 260       0.432   3.503  -0.262  1.00  1.43           C
ATOM      0  H   VAL A 260      -0.435   3.776  -2.910  1.00  0.98           H   new
ATOM      0  HA  VAL A 260      -0.590   5.842  -1.022  1.00  1.22           H   new
ATOM      0  HB  VAL A 260       1.694   4.050  -1.898  1.00  1.46           H   new
ATOM      0 HG11 VAL A 260       2.822   4.690   0.196  1.00  1.77           H   new
ATOM      0 HG12 VAL A 260       2.625   6.076  -0.902  1.00  1.77           H   new
ATOM      0 HG13 VAL A 260       1.551   5.897   0.505  1.00  1.77           H   new
ATOM      0 HG21 VAL A 260       1.179   2.863   0.208  1.00  1.43           H   new
ATOM      0 HG22 VAL A 260      -0.161   3.995   0.509  1.00  1.43           H   new
ATOM      0 HG23 VAL A 260      -0.221   2.897  -0.891  1.00  1.43           H   new
ATOM    173  N   LEU A 261       1.467   6.397  -3.586  1.00  1.39           N
ATOM    174  CA  LEU A 261       2.169   7.447  -4.331  1.00  1.54           C
ATOM    175  C   LEU A 261       1.203   8.565  -4.726  1.00  1.37           C
ATOM    176  O   LEU A 261       1.521   9.748  -4.604  1.00  1.51           O
ATOM    177  CB  LEU A 261       2.829   6.870  -5.581  1.00  1.66           C
ATOM    178  CG  LEU A 261       3.761   7.832  -6.312  1.00  1.90           C
ATOM    179  CD1 LEU A 261       4.829   8.361  -5.365  1.00  2.18           C
ATOM    180  CD2 LEU A 261       4.397   7.144  -7.506  1.00  2.08           C
ATOM      0  H   LEU A 261       1.536   5.469  -4.005  1.00  1.39           H   new
ATOM      0  HA  LEU A 261       2.942   7.861  -3.683  1.00  1.54           H   new
ATOM      0  HB2 LEU A 261       3.394   5.982  -5.300  1.00  1.66           H   new
ATOM      0  HB3 LEU A 261       2.049   6.547  -6.271  1.00  1.66           H   new
ATOM      0  HG  LEU A 261       3.175   8.677  -6.673  1.00  1.90           H   new
ATOM      0 HD11 LEU A 261       5.485   9.046  -5.903  1.00  2.18           H   new
ATOM      0 HD12 LEU A 261       4.353   8.888  -4.538  1.00  2.18           H   new
ATOM      0 HD13 LEU A 261       5.414   7.528  -4.975  1.00  2.18           H   new
ATOM      0 HD21 LEU A 261       5.059   7.842  -8.018  1.00  2.08           H   new
ATOM      0 HD22 LEU A 261       4.971   6.282  -7.166  1.00  2.08           H   new
ATOM      0 HD23 LEU A 261       3.618   6.813  -8.193  1.00  2.08           H   new
ATOM    192  N   THR A 262       0.013   8.174  -5.178  1.00  1.10           N
ATOM    193  CA  THR A 262      -1.021   9.132  -5.568  1.00  0.96           C
ATOM    194  C   THR A 262      -1.436   9.983  -4.367  1.00  1.02           C
ATOM    195  O   THR A 262      -1.488  11.212  -4.442  1.00  1.11           O
ATOM    196  CB  THR A 262      -2.268   8.409  -6.124  1.00  0.79           C
ATOM    197  OG1 THR A 262      -1.918   7.626  -7.275  1.00  0.89           O
ATOM    198  CG2 THR A 262      -3.359   9.401  -6.493  1.00  0.80           C
ATOM      0  H   THR A 262      -0.260   7.197  -5.284  1.00  1.10           H   new
ATOM      0  HA  THR A 262      -0.603   9.770  -6.347  1.00  0.96           H   new
ATOM      0  HB  THR A 262      -2.649   7.752  -5.342  1.00  0.79           H   new
ATOM      0  HG1 THR A 262      -1.181   7.022  -7.048  1.00  0.89           H   new
ATOM      0 HG21 THR A 262      -4.224   8.863  -6.881  1.00  0.80           H   new
ATOM      0 HG22 THR A 262      -3.651   9.967  -5.608  1.00  0.80           H   new
ATOM      0 HG23 THR A 262      -2.986  10.086  -7.255  1.00  0.80           H   new
ATOM    206  N   MET A 263      -1.717   9.307  -3.255  1.00  1.03           N
ATOM    207  CA  MET A 263      -2.116   9.971  -2.014  1.00  1.19           C
ATOM    208  C   MET A 263      -1.030  10.933  -1.513  1.00  1.40           C
ATOM    209  O   MET A 263      -1.318  12.080  -1.169  1.00  1.50           O
ATOM    210  CB  MET A 263      -2.416   8.918  -0.943  1.00  1.24           C
ATOM    211  CG  MET A 263      -2.851   9.499   0.392  1.00  1.45           C
ATOM    212  SD  MET A 263      -3.166   8.226   1.631  1.00  1.57           S
ATOM    213  CE  MET A 263      -1.560   7.441   1.736  1.00  1.67           C
ATOM      0  H   MET A 263      -1.675   8.290  -3.188  1.00  1.03           H   new
ATOM      0  HA  MET A 263      -3.012  10.559  -2.216  1.00  1.19           H   new
ATOM      0  HB2 MET A 263      -3.198   8.254  -1.310  1.00  1.24           H   new
ATOM      0  HB3 MET A 263      -1.526   8.308  -0.789  1.00  1.24           H   new
ATOM      0  HG2 MET A 263      -2.079  10.175   0.759  1.00  1.45           H   new
ATOM      0  HG3 MET A 263      -3.753  10.093   0.249  1.00  1.45           H   new
ATOM      0  HE1 MET A 263      -1.442   6.984   2.719  1.00  1.67           H   new
ATOM      0  HE2 MET A 263      -1.480   6.673   0.967  1.00  1.67           H   new
ATOM      0  HE3 MET A 263      -0.780   8.187   1.586  1.00  1.67           H   new