USER  MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=7
USER  MOD reduce.3.24.130724 removed 249 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     :FLIP  amide:sc=  -0.423  F(o=-2.8!,f=-0.42)
USER  MOD Single : A   5 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   7 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   8 SER OG  :   rot   66:sc=    1.19
USER  MOD Single : A  19 LYS NZ  :NH3+    167:sc=   -0.02   (180deg=-0.212)
USER  MOD Single : A  20 THR OG1 :   rot   85:sc=    1.16
USER  MOD Single : A  22 LYS NZ  :NH3+   -169:sc= -0.0316   (180deg=-0.191)
USER  MOD Single : A  26 LYS NZ  :NH3+   -175:sc=       0   (180deg=-0.0481)
USER  MOD -----------------------------------------------------------------
ATOM     37  N   ILE A   3       3.823  -6.316  -4.143  1.00 21.34           N
ATOM     38  CA  ILE A   3       3.423  -6.750  -5.465  1.00  2.30           C
ATOM     39  C   ILE A   3       1.909  -6.862  -5.514  1.00 21.21           C
ATOM     40  O   ILE A   3       1.265  -6.436  -6.484  1.00 50.45           O
ATOM     41  CB  ILE A   3       4.072  -8.131  -5.860  1.00 41.43           C
ATOM     42  CG1 ILE A   3       5.610  -8.046  -5.981  1.00  2.25           C
ATOM     43  CG2 ILE A   3       3.479  -8.694  -7.150  1.00 13.03           C
ATOM     44  CD1 ILE A   3       6.359  -7.869  -4.674  1.00 21.34           C
ATOM      0  HA  ILE A   3       3.775  -6.009  -6.183  1.00  2.30           H   new
ATOM      0  HB  ILE A   3       3.835  -8.814  -5.044  1.00 41.43           H   new
ATOM      0 HG12 ILE A   3       5.970  -8.954  -6.466  1.00  2.25           H   new
ATOM      0 HG13 ILE A   3       5.860  -7.213  -6.638  1.00  2.25           H   new
ATOM      0 HG21 ILE A   3       3.955  -9.646  -7.384  1.00 13.03           H   new
ATOM      0 HG22 ILE A   3       2.407  -8.846  -7.022  1.00 13.03           H   new
ATOM      0 HG23 ILE A   3       3.651  -7.992  -7.966  1.00 13.03           H   new
ATOM      0 HD11 ILE A   3       7.430  -7.821  -4.872  1.00 21.34           H   new
ATOM      0 HD12 ILE A   3       6.037  -6.946  -4.192  1.00 21.34           H   new
ATOM      0 HD13 ILE A   3       6.149  -8.713  -4.017  1.00 21.34           H   new
ATOM     56  N   ASN A   4       1.340  -7.365  -4.440  1.00 45.23           N
ATOM     57  CA  ASN A   4      -0.094  -7.552  -4.374  1.00 64.43           C
ATOM     58  C   ASN A   4      -0.812  -6.221  -4.391  1.00 11.43           C
ATOM     59  O   ASN A   4      -1.781  -6.030  -5.144  1.00 53.53           O
ATOM     60  CB  ASN A   4      -0.524  -8.322  -3.132  1.00 42.54           C
ATOM     61  CG  ASN A   4      -2.024  -8.518  -3.089  1.00 33.11           C
ATOM     62  OD1 ASN A   4      -2.606  -8.818  -4.221  1.00 54.14           O   flip
ATOM     63  ND2 ASN A   4      -2.638  -8.469  -2.025  1.00 13.53           N   flip
ATOM      0  H   ASN A   4       1.846  -7.651  -3.602  1.00 45.23           H   new
ATOM      0  HA  ASN A   4      -0.365  -8.136  -5.254  1.00 64.43           H   new
ATOM      0  HB2 ASN A   4      -0.029  -9.293  -3.116  1.00 42.54           H   new
ATOM      0  HB3 ASN A   4      -0.201  -7.785  -2.240  1.00 42.54           H   new
ATOM      0 HD21 ASN A   4      -2.147  -8.231  -1.163  1.00 13.53           H   new
ATOM      0 HD22 ASN A   4      -3.638  -8.666  -2.004  1.00 13.53           H   new
ATOM     70  N   THR A   5      -0.333  -5.292  -3.607  1.00 12.31           N
ATOM     71  CA  THR A   5      -0.974  -4.020  -3.516  1.00 71.33           C
ATOM     72  C   THR A   5      -0.913  -3.285  -4.849  1.00 62.43           C
ATOM     73  O   THR A   5      -1.894  -2.707  -5.283  1.00 72.42           O
ATOM     74  CB  THR A   5      -0.404  -3.174  -2.369  1.00 50.14           C
ATOM     75  OG1 THR A   5       1.023  -3.077  -2.493  1.00 40.05           O
ATOM     76  CG2 THR A   5      -0.750  -3.791  -1.023  1.00 71.22           C
ATOM      0  H   THR A   5       0.498  -5.398  -3.025  1.00 12.31           H   new
ATOM      0  HA  THR A   5      -2.024  -4.194  -3.282  1.00 71.33           H   new
ATOM      0  HB  THR A   5      -0.846  -2.179  -2.427  1.00 50.14           H   new
ATOM      0  HG1 THR A   5       1.379  -2.534  -1.759  1.00 40.05           H   new
ATOM      0 HG21 THR A   5      -0.337  -3.176  -0.224  1.00 71.22           H   new
ATOM      0 HG22 THR A   5      -1.833  -3.846  -0.916  1.00 71.22           H   new
ATOM      0 HG23 THR A   5      -0.328  -4.794  -0.964  1.00 71.22           H   new
ATOM     84  N   ILE A   6       0.204  -3.404  -5.543  1.00 12.24           N
ATOM     85  CA  ILE A   6       0.351  -2.764  -6.837  1.00 14.43           C
ATOM     86  C   ILE A   6      -0.593  -3.355  -7.862  1.00 44.00           C
ATOM     87  O   ILE A   6      -1.189  -2.617  -8.656  1.00 13.03           O
ATOM     88  CB  ILE A   6       1.822  -2.751  -7.338  1.00 70.31           C
ATOM     89  CG1 ILE A   6       2.678  -1.921  -6.384  1.00 63.45           C
ATOM     90  CG2 ILE A   6       1.943  -2.220  -8.771  1.00  0.03           C
ATOM     91  CD1 ILE A   6       2.129  -0.532  -6.123  1.00 23.32           C
ATOM      0  H   ILE A   6       1.019  -3.935  -5.235  1.00 12.24           H   new
ATOM      0  HA  ILE A   6       0.070  -1.720  -6.700  1.00 14.43           H   new
ATOM      0  HB  ILE A   6       2.181  -3.780  -7.352  1.00 70.31           H   new
ATOM      0 HG12 ILE A   6       2.767  -2.451  -5.436  1.00 63.45           H   new
ATOM      0 HG13 ILE A   6       3.684  -1.833  -6.795  1.00 63.45           H   new
ATOM      0 HG21 ILE A   6       2.989  -2.230  -9.076  1.00  0.03           H   new
ATOM      0 HG22 ILE A   6       1.363  -2.852  -9.443  1.00  0.03           H   new
ATOM      0 HG23 ILE A   6       1.563  -1.199  -8.814  1.00  0.03           H   new
ATOM      0 HD11 ILE A   6       2.790  -0.002  -5.437  1.00 23.32           H   new
ATOM      0 HD12 ILE A   6       2.066   0.017  -7.063  1.00 23.32           H   new
ATOM      0 HD13 ILE A   6       1.135  -0.610  -5.682  1.00 23.32           H   new
ATOM    103  N   LYS A   7      -0.835  -4.660  -7.797  1.00 54.31           N
ATOM    104  CA  LYS A   7      -1.739  -5.238  -8.749  1.00 51.05           C
ATOM    105  C   LYS A   7      -3.168  -4.958  -8.337  1.00 72.11           C
ATOM    106  O   LYS A   7      -4.090  -5.154  -9.106  1.00 11.32           O
ATOM    107  CB  LYS A   7      -1.437  -6.733  -9.061  1.00 65.22           C
ATOM    108  CG  LYS A   7      -1.515  -7.714  -7.894  1.00 20.54           C
ATOM    109  CD  LYS A   7      -2.946  -8.046  -7.478  1.00 52.34           C
ATOM    110  CE  LYS A   7      -3.686  -8.845  -8.546  1.00 23.22           C
ATOM    111  NZ  LYS A   7      -4.982  -9.351  -8.056  1.00 51.44           N
ATOM      0  H   LYS A   7      -0.430  -5.305  -7.119  1.00 54.31           H   new
ATOM      0  HA  LYS A   7      -1.582  -4.751  -9.711  1.00 51.05           H   new
ATOM      0  HB2 LYS A   7      -2.134  -7.066  -9.830  1.00 65.22           H   new
ATOM      0  HB3 LYS A   7      -0.436  -6.794  -9.489  1.00 65.22           H   new
ATOM      0  HG2 LYS A   7      -1.001  -8.635  -8.168  1.00 20.54           H   new
ATOM      0  HG3 LYS A   7      -0.984  -7.294  -7.040  1.00 20.54           H   new
ATOM      0  HD2 LYS A   7      -2.930  -8.614  -6.548  1.00 52.34           H   new
ATOM      0  HD3 LYS A   7      -3.488  -7.122  -7.277  1.00 52.34           H   new
ATOM      0  HE2 LYS A   7      -3.849  -8.216  -9.421  1.00 23.22           H   new
ATOM      0  HE3 LYS A   7      -3.067  -9.683  -8.866  1.00 23.22           H   new
ATOM      0  HZ1 LYS A   7      -5.453  -9.888  -8.812  1.00 51.44           H   new
ATOM      0  HZ2 LYS A   7      -4.825  -9.971  -7.236  1.00 51.44           H   new
ATOM      0  HZ3 LYS A   7      -5.583  -8.550  -7.774  1.00 51.44           H   new
ATOM    125  N   SER A   8      -3.335  -4.448  -7.126  1.00 51.13           N
ATOM    126  CA  SER A   8      -4.635  -4.053  -6.671  1.00 62.43           C
ATOM    127  C   SER A   8      -4.930  -2.660  -7.223  1.00  0.23           C
ATOM    128  O   SER A   8      -5.982  -2.423  -7.794  1.00 71.25           O
ATOM    129  CB  SER A   8      -4.713  -4.079  -5.143  1.00 31.13           C
ATOM    130  OG  SER A   8      -4.435  -5.388  -4.635  1.00 42.14           O
ATOM      0  H   SER A   8      -2.583  -4.303  -6.452  1.00 51.13           H   new
ATOM      0  HA  SER A   8      -5.386  -4.755  -7.033  1.00 62.43           H   new
ATOM      0  HB2 SER A   8      -4.001  -3.366  -4.727  1.00 31.13           H   new
ATOM      0  HB3 SER A   8      -5.706  -3.764  -4.821  1.00 31.13           H   new
ATOM      0  HG  SER A   8      -3.504  -5.623  -4.829  1.00 42.14           H   new
ATOM    136  N   LEU A   9      -3.954  -1.760  -7.117  1.00  1.44           N
ATOM    137  CA  LEU A   9      -4.103  -0.404  -7.662  1.00 65.22           C
ATOM    138  C   LEU A   9      -4.294  -0.432  -9.144  1.00 24.52           C
ATOM    139  O   LEU A   9      -4.906   0.441  -9.721  1.00 64.22           O
ATOM    140  CB  LEU A   9      -2.922   0.507  -7.353  1.00 75.51           C
ATOM    141  CG  LEU A   9      -2.851   1.167  -5.993  1.00 33.10           C
ATOM    142  CD1 LEU A   9      -4.129   1.904  -5.689  1.00 73.12           C
ATOM    143  CD2 LEU A   9      -2.481   0.217  -4.880  1.00 21.44           C
ATOM      0  H   LEU A   9      -3.058  -1.939  -6.664  1.00  1.44           H   new
ATOM      0  HA  LEU A   9      -4.987   0.002  -7.169  1.00 65.22           H   new
ATOM      0  HB2 LEU A   9      -2.011  -0.076  -7.486  1.00 75.51           H   new
ATOM      0  HB3 LEU A   9      -2.907   1.296  -8.105  1.00 75.51           H   new
ATOM      0  HG  LEU A   9      -2.036   1.889  -6.044  1.00 33.10           H   new
ATOM      0 HD11 LEU A   9      -4.055   2.370  -4.707  1.00 73.12           H   new
ATOM      0 HD12 LEU A   9      -4.294   2.673  -6.444  1.00 73.12           H   new
ATOM      0 HD13 LEU A   9      -4.964   1.203  -5.696  1.00 73.12           H   new
ATOM      0 HD21 LEU A   9      -2.449   0.759  -3.935  1.00 21.44           H   new
ATOM      0 HD22 LEU A   9      -3.224  -0.578  -4.818  1.00 21.44           H   new
ATOM      0 HD23 LEU A   9      -1.502  -0.217  -5.083  1.00 21.44           H   new
ATOM    155  N   ARG A  10      -3.697  -1.362  -9.747  1.00 74.45           N
ATOM    156  CA  ARG A  10      -3.905  -1.561 -11.156  1.00 23.11           C
ATOM    157  C   ARG A  10      -5.238  -2.274 -11.425  1.00 23.00           C
ATOM    158  O   ARG A  10      -6.274  -1.630 -11.661  1.00 50.23           O
ATOM    159  CB  ARG A  10      -2.751  -2.331 -11.798  1.00 22.11           C
ATOM    160  CG  ARG A  10      -1.402  -1.647 -11.698  1.00 21.01           C
ATOM    161  CD  ARG A  10      -1.384  -0.301 -12.364  1.00 44.31           C
ATOM    162  NE  ARG A  10      -0.039   0.220 -12.318  1.00 12.12           N
ATOM    163  CZ  ARG A  10       0.323   1.460 -12.533  1.00 44.33           C
ATOM    164  NH1 ARG A  10      -0.569   2.381 -12.907  1.00 34.43           N
ATOM    165  NH2 ARG A  10       1.589   1.777 -12.390  1.00 43.35           N
ATOM      0  H   ARG A  10      -3.050  -2.017  -9.308  1.00 74.45           H   new
ATOM      0  HA  ARG A  10      -3.942  -0.573 -11.614  1.00 23.11           H   new
ATOM      0  HB2 ARG A  10      -2.681  -3.313 -11.329  1.00 22.11           H   new
ATOM      0  HB3 ARG A  10      -2.983  -2.496 -12.850  1.00 22.11           H   new
ATOM      0  HG2 ARG A  10      -1.135  -1.532 -10.648  1.00 21.01           H   new
ATOM      0  HG3 ARG A  10      -0.642  -2.283 -12.152  1.00 21.01           H   new
ATOM      0  HD2 ARG A  10      -1.721  -0.386 -13.397  1.00 44.31           H   new
ATOM      0  HD3 ARG A  10      -2.070   0.379 -11.860  1.00 44.31           H   new
ATOM      0  HE  ARG A  10       0.703  -0.443 -12.096  1.00 12.12           H   new
ATOM      0 HH11 ARG A  10      -1.548   2.123 -13.029  1.00 34.43           H   new
ATOM      0 HH12 ARG A  10      -0.271   3.343 -13.071  1.00 34.43           H   new
ATOM      0 HH21 ARG A  10       2.266   1.064 -12.117  1.00 43.35           H   new
ATOM      0 HH22 ARG A  10       1.896   2.736 -12.552  1.00 43.35           H   new
ATOM    179  N   VAL A  11      -5.226  -3.583 -11.257  1.00 44.30           N
ATOM    180  CA  VAL A  11      -6.327  -4.445 -11.665  1.00  4.23           C
ATOM    181  C   VAL A  11      -7.656  -4.090 -10.989  1.00 45.15           C
ATOM    182  O   VAL A  11      -8.688  -4.066 -11.640  1.00 61.04           O
ATOM    183  CB  VAL A  11      -5.988  -5.954 -11.446  1.00 52.23           C
ATOM    184  CG1 VAL A  11      -7.109  -6.856 -11.949  1.00  3.25           C
ATOM    185  CG2 VAL A  11      -4.678  -6.317 -12.133  1.00 12.45           C
ATOM      0  H   VAL A  11      -4.447  -4.085 -10.830  1.00 44.30           H   new
ATOM      0  HA  VAL A  11      -6.458  -4.268 -12.733  1.00  4.23           H   new
ATOM      0  HB  VAL A  11      -5.880  -6.112 -10.373  1.00 52.23           H   new
ATOM      0 HG11 VAL A  11      -6.840  -7.899 -11.781  1.00  3.25           H   new
ATOM      0 HG12 VAL A  11      -8.029  -6.627 -11.411  1.00  3.25           H   new
ATOM      0 HG13 VAL A  11      -7.261  -6.688 -13.015  1.00  3.25           H   new
ATOM      0 HG21 VAL A  11      -4.461  -7.372 -11.968  1.00 12.45           H   new
ATOM      0 HG22 VAL A  11      -4.763  -6.127 -13.203  1.00 12.45           H   new
ATOM      0 HG23 VAL A  11      -3.871  -5.712 -11.721  1.00 12.45           H   new
ATOM    195  N   LEU A  12      -7.633  -3.724  -9.724  1.00 24.12           N
ATOM    196  CA  LEU A  12      -8.849  -3.485  -9.020  1.00  4.34           C
ATOM    197  C   LEU A  12      -9.398  -2.121  -9.350  1.00 61.34           C
ATOM    198  O   LEU A  12     -10.613  -1.899  -9.391  1.00 31.30           O
ATOM    199  CB  LEU A  12      -8.650  -3.715  -7.532  1.00 55.52           C
ATOM    200  CG  LEU A  12      -9.810  -3.371  -6.650  1.00 14.12           C
ATOM    201  CD1 LEU A  12     -11.018  -4.261  -6.944  1.00 72.25           C
ATOM    202  CD2 LEU A  12      -9.422  -3.418  -5.186  1.00 75.34           C
ATOM      0  H   LEU A  12      -6.784  -3.589  -9.175  1.00 24.12           H   new
ATOM      0  HA  LEU A  12      -9.605  -4.200  -9.345  1.00  4.34           H   new
ATOM      0  HB2 LEU A  12      -8.402  -4.765  -7.378  1.00 55.52           H   new
ATOM      0  HB3 LEU A  12      -7.788  -3.132  -7.207  1.00 55.52           H   new
ATOM      0  HG  LEU A  12     -10.103  -2.345  -6.875  1.00 14.12           H   new
ATOM      0 HD11 LEU A  12     -11.842  -3.985  -6.286  1.00 72.25           H   new
ATOM      0 HD12 LEU A  12     -11.323  -4.130  -7.982  1.00 72.25           H   new
ATOM      0 HD13 LEU A  12     -10.752  -5.304  -6.773  1.00 72.25           H   new
ATOM      0 HD21 LEU A  12     -10.286  -3.163  -4.572  1.00 75.34           H   new
ATOM      0 HD22 LEU A  12      -9.080  -4.421  -4.932  1.00 75.34           H   new
ATOM      0 HD23 LEU A  12      -8.621  -2.703  -4.999  1.00 75.34           H   new
ATOM    214  N   ARG A  13      -8.518  -1.255  -9.688  1.00 71.25           N
ATOM    215  CA  ARG A  13      -8.885   0.076 -10.098  1.00 35.12           C
ATOM    216  C   ARG A  13      -9.209   0.079 -11.580  1.00 22.11           C
ATOM    217  O   ARG A  13      -9.470   1.123 -12.184  1.00 61.42           O
ATOM    218  CB  ARG A  13      -7.804   1.077  -9.722  1.00  1.44           C
ATOM    219  CG  ARG A  13      -7.714   1.294  -8.214  1.00 64.00           C
ATOM    220  CD  ARG A  13      -8.455   2.549  -7.759  1.00 72.30           C
ATOM    221  NE  ARG A  13      -9.700   2.801  -8.504  1.00 42.11           N
ATOM    222  CZ  ARG A  13     -10.916   2.925  -7.982  1.00 11.51           C
ATOM    223  NH1 ARG A  13     -11.146   2.565  -6.726  1.00 62.12           N
ATOM    224  NH2 ARG A  13     -11.915   3.377  -8.747  1.00 71.20           N
ATOM      0  H   ARG A  13      -7.514  -1.436  -9.693  1.00 71.25           H   new
ATOM      0  HA  ARG A  13      -9.783   0.391  -9.567  1.00 35.12           H   new
ATOM      0  HB2 ARG A  13      -6.842   0.726 -10.094  1.00  1.44           H   new
ATOM      0  HB3 ARG A  13      -8.007   2.029 -10.212  1.00  1.44           H   new
ATOM      0  HG2 ARG A  13      -8.127   0.426  -7.700  1.00 64.00           H   new
ATOM      0  HG3 ARG A  13      -6.666   1.369  -7.923  1.00 64.00           H   new
ATOM      0  HD2 ARG A  13      -8.688   2.459  -6.698  1.00 72.30           H   new
ATOM      0  HD3 ARG A  13      -7.795   3.410  -7.868  1.00 72.30           H   new
ATOM      0  HE  ARG A  13      -9.622   2.889  -9.517  1.00 42.11           H   new
ATOM      0 HH11 ARG A  13     -10.388   2.191  -6.156  1.00 62.12           H   new
ATOM      0 HH12 ARG A  13     -12.081   2.662  -6.331  1.00 62.12           H   new
ATOM      0 HH21 ARG A  13     -11.740   3.623  -9.721  1.00 71.20           H   new
ATOM      0 HH22 ARG A  13     -12.852   3.476  -8.356  1.00 71.20           H   new
ATOM    238  N   VAL A  14      -9.151  -1.097 -12.170  1.00  4.43           N
ATOM    239  CA  VAL A  14      -9.646  -1.292 -13.513  1.00 31.50           C
ATOM    240  C   VAL A  14     -10.999  -2.010 -13.442  1.00 13.53           C
ATOM    241  O   VAL A  14     -11.977  -1.588 -14.073  1.00 55.35           O
ATOM    242  CB  VAL A  14      -8.667  -2.109 -14.396  1.00 71.43           C
ATOM    243  CG1 VAL A  14      -9.262  -2.352 -15.774  1.00 63.44           C
ATOM    244  CG2 VAL A  14      -7.345  -1.386 -14.539  1.00  4.12           C
ATOM      0  H   VAL A  14      -8.764  -1.935 -11.736  1.00  4.43           H   new
ATOM      0  HA  VAL A  14      -9.750  -0.311 -13.977  1.00 31.50           H   new
ATOM      0  HB  VAL A  14      -8.498  -3.068 -13.906  1.00 71.43           H   new
ATOM      0 HG11 VAL A  14      -8.559  -2.927 -16.378  1.00 63.44           H   new
ATOM      0 HG12 VAL A  14     -10.194  -2.908 -15.675  1.00 63.44           H   new
ATOM      0 HG13 VAL A  14      -9.459  -1.396 -16.259  1.00 63.44           H   new
ATOM      0 HG21 VAL A  14      -6.673  -1.976 -15.162  1.00  4.12           H   new
ATOM      0 HG22 VAL A  14      -7.510  -0.414 -15.003  1.00  4.12           H   new
ATOM      0 HG23 VAL A  14      -6.898  -1.246 -13.555  1.00  4.12           H   new
ATOM    254  N   LEU A  15     -11.059  -3.053 -12.622  1.00 35.01           N
ATOM    255  CA  LEU A  15     -12.254  -3.880 -12.484  1.00 24.44           C
ATOM    256  C   LEU A  15     -13.444  -3.115 -11.955  1.00 34.43           C
ATOM    257  O   LEU A  15     -14.565  -3.360 -12.378  1.00 12.31           O
ATOM    258  CB  LEU A  15     -12.007  -5.124 -11.617  1.00 63.21           C
ATOM    259  CG  LEU A  15     -10.949  -6.123 -12.099  1.00 21.50           C
ATOM    260  CD1 LEU A  15     -10.820  -7.270 -11.109  1.00  4.42           C
ATOM    261  CD2 LEU A  15     -11.284  -6.655 -13.484  1.00 33.33           C
ATOM      0  H   LEU A  15     -10.281  -3.350 -12.033  1.00 35.01           H   new
ATOM      0  HA  LEU A  15     -12.491  -4.205 -13.497  1.00 24.44           H   new
ATOM      0  HB2 LEU A  15     -11.723  -4.788 -10.620  1.00 63.21           H   new
ATOM      0  HB3 LEU A  15     -12.952  -5.657 -11.517  1.00 63.21           H   new
ATOM      0  HG  LEU A  15      -9.995  -5.600 -12.162  1.00 21.50           H   new
ATOM      0 HD11 LEU A  15     -10.066  -7.973 -11.463  1.00  4.42           H   new
ATOM      0 HD12 LEU A  15     -10.524  -6.879 -10.136  1.00  4.42           H   new
ATOM      0 HD13 LEU A  15     -11.778  -7.782 -11.018  1.00  4.42           H   new
ATOM      0 HD21 LEU A  15     -10.515  -7.361 -13.798  1.00 33.33           H   new
ATOM      0 HD22 LEU A  15     -12.250  -7.159 -13.456  1.00 33.33           H   new
ATOM      0 HD23 LEU A  15     -11.327  -5.827 -14.191  1.00 33.33           H   new
ATOM    273  N   ARG A  16     -13.219  -2.214 -11.044  1.00 72.44           N
ATOM    274  CA  ARG A  16     -14.337  -1.446 -10.492  1.00 72.22           C
ATOM    275  C   ARG A  16     -14.967  -0.499 -11.544  1.00  4.40           C
ATOM    276  O   ARG A  16     -16.110  -0.712 -11.961  1.00 44.11           O
ATOM    277  CB  ARG A  16     -13.979  -0.653  -9.212  1.00 32.15           C
ATOM    278  CG  ARG A  16     -13.470  -1.469  -8.048  1.00  4.23           C
ATOM    279  CD  ARG A  16     -13.241  -0.567  -6.851  1.00 53.12           C
ATOM    280  NE  ARG A  16     -12.655  -1.274  -5.715  1.00  1.54           N
ATOM    281  CZ  ARG A  16     -13.349  -1.762  -4.680  1.00 51.24           C
ATOM    282  NH1 ARG A  16     -14.675  -1.720  -4.687  1.00 64.33           N
ATOM    283  NH2 ARG A  16     -12.714  -2.298  -3.652  1.00 32.42           N
ATOM      0  H   ARG A  16     -12.301  -1.984 -10.664  1.00 72.44           H   new
ATOM      0  HA  ARG A  16     -15.074  -2.196 -10.205  1.00 72.22           H   new
ATOM      0  HB2 ARG A  16     -13.223   0.089  -9.468  1.00 32.15           H   new
ATOM      0  HB3 ARG A  16     -14.865  -0.107  -8.887  1.00 32.15           H   new
ATOM      0  HG2 ARG A  16     -14.189  -2.248  -7.796  1.00  4.23           H   new
ATOM      0  HG3 ARG A  16     -12.541  -1.969  -8.321  1.00  4.23           H   new
ATOM      0  HD2 ARG A  16     -12.585   0.254  -7.140  1.00 53.12           H   new
ATOM      0  HD3 ARG A  16     -14.190  -0.125  -6.548  1.00 53.12           H   new
ATOM      0  HE  ARG A  16     -11.643  -1.405  -5.710  1.00  1.54           H   new
ATOM      0 HH11 ARG A  16     -15.168  -1.315  -5.483  1.00 64.33           H   new
ATOM      0 HH12 ARG A  16     -15.201  -2.093  -3.897  1.00 64.33           H   new
ATOM      0 HH21 ARG A  16     -11.695  -2.340  -3.647  1.00 32.42           H   new
ATOM      0 HH22 ARG A  16     -13.243  -2.670  -2.863  1.00 32.42           H   new
ATOM    297  N   PRO A  17     -14.214   0.503 -12.076  1.00 44.42           N
ATOM    298  CA  PRO A  17     -14.804   1.527 -12.899  1.00 63.12           C
ATOM    299  C   PRO A  17     -15.142   1.044 -14.282  1.00 11.21           C
ATOM    300  O   PRO A  17     -16.192   1.383 -14.803  1.00  1.15           O
ATOM    301  CB  PRO A  17     -13.734   2.628 -12.969  1.00 21.04           C
ATOM    302  CG  PRO A  17     -12.630   2.164 -12.085  1.00 15.22           C
ATOM    303  CD  PRO A  17     -12.765   0.687 -12.006  1.00 15.41           C
ATOM      0  HA  PRO A  17     -15.750   1.866 -12.476  1.00 63.12           H   new
ATOM      0  HB2 PRO A  17     -13.385   2.772 -13.991  1.00 21.04           H   new
ATOM      0  HB3 PRO A  17     -14.132   3.585 -12.631  1.00 21.04           H   new
ATOM      0  HG2 PRO A  17     -11.659   2.446 -12.492  1.00 15.22           H   new
ATOM      0  HG3 PRO A  17     -12.705   2.617 -11.096  1.00 15.22           H   new
ATOM      0  HD2 PRO A  17     -12.251   0.187 -12.827  1.00 15.41           H   new
ATOM      0  HD3 PRO A  17     -12.349   0.289 -11.080  1.00 15.41           H   new
ATOM    311  N   LEU A  18     -14.304   0.187 -14.866  1.00 24.32           N
ATOM    312  CA  LEU A  18     -14.530  -0.170 -16.235  1.00  3.51           C
ATOM    313  C   LEU A  18     -15.637  -1.120 -16.390  1.00 14.00           C
ATOM    314  O   LEU A  18     -16.237  -1.174 -17.430  1.00 52.23           O
ATOM    315  CB  LEU A  18     -13.319  -0.647 -16.978  1.00 74.10           C
ATOM    316  CG  LEU A  18     -12.271   0.418 -17.363  1.00 40.23           C
ATOM    317  CD1 LEU A  18     -11.542   0.996 -16.159  1.00 31.25           C
ATOM    318  CD2 LEU A  18     -11.299  -0.148 -18.361  1.00 14.22           C
ATOM      0  H   LEU A  18     -13.497  -0.250 -14.420  1.00 24.32           H   new
ATOM      0  HA  LEU A  18     -14.808   0.775 -16.702  1.00  3.51           H   new
ATOM      0  HB2 LEU A  18     -12.825  -1.405 -16.370  1.00 74.10           H   new
ATOM      0  HB3 LEU A  18     -13.653  -1.139 -17.891  1.00 74.10           H   new
ATOM      0  HG  LEU A  18     -12.811   1.248 -17.819  1.00 40.23           H   new
ATOM      0 HD11 LEU A  18     -10.818   1.739 -16.494  1.00 31.25           H   new
ATOM      0 HD12 LEU A  18     -12.262   1.467 -15.489  1.00 31.25           H   new
ATOM      0 HD13 LEU A  18     -11.023   0.197 -15.630  1.00 31.25           H   new
ATOM      0 HD21 LEU A  18     -10.564   0.613 -18.625  1.00 14.22           H   new
ATOM      0 HD22 LEU A  18     -10.790  -1.008 -17.926  1.00 14.22           H   new
ATOM      0 HD23 LEU A  18     -11.837  -0.459 -19.256  1.00 14.22           H   new
ATOM    330  N   LYS A  19     -15.929  -1.860 -15.364  1.00 22.23           N
ATOM    331  CA  LYS A  19     -17.076  -2.717 -15.419  1.00 31.15           C
ATOM    332  C   LYS A  19     -18.291  -1.908 -15.320  1.00 45.12           C
ATOM    333  O   LYS A  19     -19.219  -2.104 -16.079  1.00 73.14           O
ATOM    334  CB  LYS A  19     -17.025  -3.888 -14.437  1.00 73.11           C
ATOM    335  CG  LYS A  19     -16.200  -5.087 -14.926  1.00 24.32           C
ATOM    336  CD  LYS A  19     -14.768  -4.724 -15.296  1.00 22.41           C
ATOM    337  CE  LYS A  19     -14.000  -5.920 -15.841  1.00 11.32           C
ATOM    338  NZ  LYS A  19     -14.589  -6.446 -17.093  1.00 40.34           N
ATOM      0  H   LYS A  19     -15.400  -1.890 -14.492  1.00 22.23           H   new
ATOM      0  HA  LYS A  19     -17.080  -3.216 -16.388  1.00 31.15           H   new
ATOM      0  HB2 LYS A  19     -16.610  -3.537 -13.492  1.00 73.11           H   new
ATOM      0  HB3 LYS A  19     -18.043  -4.221 -14.233  1.00 73.11           H   new
ATOM      0  HG2 LYS A  19     -16.184  -5.850 -14.147  1.00 24.32           H   new
ATOM      0  HG3 LYS A  19     -16.691  -5.527 -15.794  1.00 24.32           H   new
ATOM      0  HD2 LYS A  19     -14.776  -3.928 -16.041  1.00 22.41           H   new
ATOM      0  HD3 LYS A  19     -14.254  -4.333 -14.418  1.00 22.41           H   new
ATOM      0  HE2 LYS A  19     -12.965  -5.631 -16.023  1.00 11.32           H   new
ATOM      0  HE3 LYS A  19     -13.983  -6.710 -15.090  1.00 11.32           H   new
ATOM      0  HZ1 LYS A  19     -13.921  -7.105 -17.541  1.00 40.34           H   new
ATOM      0  HZ2 LYS A  19     -15.476  -6.945 -16.877  1.00 40.34           H   new
ATOM      0  HZ3 LYS A  19     -14.785  -5.658 -17.742  1.00 40.34           H   new
ATOM    352  N   THR A  20     -18.250  -0.936 -14.467  1.00 12.13           N
ATOM    353  CA  THR A  20     -19.329  -0.042 -14.339  1.00 64.35           C
ATOM    354  C   THR A  20     -19.574   0.745 -15.669  1.00 24.55           C
ATOM    355  O   THR A  20     -20.723   0.950 -16.072  1.00 55.44           O
ATOM    356  CB  THR A  20     -19.099   0.883 -13.161  1.00 65.34           C
ATOM    357  OG1 THR A  20     -18.774   0.076 -12.005  1.00 13.52           O
ATOM    358  CG2 THR A  20     -20.361   1.603 -12.893  1.00 65.33           C
ATOM      0  H   THR A  20     -17.464  -0.749 -13.845  1.00 12.13           H   new
ATOM      0  HA  THR A  20     -20.237  -0.612 -14.144  1.00 64.35           H   new
ATOM      0  HB  THR A  20     -18.293   1.586 -13.371  1.00 65.34           H   new
ATOM      0  HG1 THR A  20     -17.814  -0.123 -12.004  1.00 13.52           H   new
ATOM      0 HG21 THR A  20     -20.223   2.277 -12.048  1.00 65.33           H   new
ATOM      0 HG22 THR A  20     -20.645   2.179 -13.774  1.00 65.33           H   new
ATOM      0 HG23 THR A  20     -21.147   0.885 -12.660  1.00 65.33           H   new
ATOM    366  N   ILE A  21     -18.500   1.134 -16.354  1.00 73.42           N
ATOM    367  CA  ILE A  21     -18.610   1.790 -17.667  1.00 64.01           C
ATOM    368  C   ILE A  21     -19.132   0.790 -18.680  1.00 53.11           C
ATOM    369  O   ILE A  21     -20.166   0.997 -19.330  1.00 43.34           O
ATOM    370  CB  ILE A  21     -17.243   2.269 -18.202  1.00 32.52           C
ATOM    371  CG1 ILE A  21     -16.528   3.164 -17.219  1.00 62.52           C
ATOM    372  CG2 ILE A  21     -17.420   3.003 -19.531  1.00  4.05           C
ATOM    373  CD1 ILE A  21     -15.101   3.395 -17.616  1.00 70.12           C
ATOM      0  H   ILE A  21     -17.542   1.009 -16.027  1.00 73.42           H   new
ATOM      0  HA  ILE A  21     -19.272   2.645 -17.535  1.00 64.01           H   new
ATOM      0  HB  ILE A  21     -16.629   1.381 -18.351  1.00 32.52           H   new
ATOM      0 HG12 ILE A  21     -17.047   4.120 -17.153  1.00 62.52           H   new
ATOM      0 HG13 ILE A  21     -16.561   2.715 -16.227  1.00 62.52           H   new
ATOM      0 HG21 ILE A  21     -16.448   3.335 -19.896  1.00  4.05           H   new
ATOM      0 HG22 ILE A  21     -17.871   2.331 -20.261  1.00  4.05           H   new
ATOM      0 HG23 ILE A  21     -18.067   3.868 -19.386  1.00  4.05           H   new
ATOM      0 HD11 ILE A  21     -14.620   4.044 -16.884  1.00 70.12           H   new
ATOM      0 HD12 ILE A  21     -14.575   2.441 -17.656  1.00 70.12           H   new
ATOM      0 HD13 ILE A  21     -15.068   3.869 -18.597  1.00 70.12           H   new
ATOM    385  N   LYS A  22     -18.394  -0.282 -18.816  1.00 54.10           N
ATOM    386  CA  LYS A  22     -18.725  -1.345 -19.768  1.00 21.44           C
ATOM    387  C   LYS A  22     -20.035  -2.139 -19.494  1.00 25.32           C
ATOM    388  O   LYS A  22     -20.342  -3.059 -20.240  1.00 52.14           O
ATOM    389  CB  LYS A  22     -17.538  -2.290 -20.064  1.00 23.32           C
ATOM    390  CG  LYS A  22     -16.462  -1.727 -21.022  1.00 45.34           C
ATOM    391  CD  LYS A  22     -15.696  -0.536 -20.464  1.00 74.45           C
ATOM    392  CE  LYS A  22     -14.672  -0.003 -21.461  1.00  2.23           C
ATOM    393  NZ  LYS A  22     -13.679  -1.024 -21.862  1.00 21.40           N
ATOM      0  H   LYS A  22     -17.545  -0.455 -18.277  1.00 54.10           H   new
ATOM      0  HA  LYS A  22     -18.942  -0.780 -20.674  1.00 21.44           H   new
ATOM      0  HB2 LYS A  22     -17.059  -2.550 -19.120  1.00 23.32           H   new
ATOM      0  HB3 LYS A  22     -17.929  -3.215 -20.488  1.00 23.32           H   new
ATOM      0  HG2 LYS A  22     -15.754  -2.520 -21.263  1.00 45.34           H   new
ATOM      0  HG3 LYS A  22     -16.941  -1.432 -21.956  1.00 45.34           H   new
ATOM      0  HD2 LYS A  22     -16.397   0.257 -20.204  1.00 74.45           H   new
ATOM      0  HD3 LYS A  22     -15.190  -0.828 -19.544  1.00 74.45           H   new
ATOM      0  HE2 LYS A  22     -15.190   0.361 -22.348  1.00  2.23           H   new
ATOM      0  HE3 LYS A  22     -14.153   0.849 -21.022  1.00  2.23           H   new
ATOM      0  HZ1 LYS A  22     -12.905  -0.569 -22.387  1.00 21.40           H   new
ATOM      0  HZ2 LYS A  22     -13.296  -1.487 -21.014  1.00 21.40           H   new
ATOM      0  HZ3 LYS A  22     -14.137  -1.735 -22.468  1.00 21.40           H   new
ATOM    407  N   ARG A  23     -20.833  -1.769 -18.477  1.00 74.40           N
ATOM    408  CA  ARG A  23     -22.159  -2.402 -18.276  1.00 71.52           C
ATOM    409  C   ARG A  23     -23.124  -2.119 -19.437  1.00 44.24           C
ATOM    410  O   ARG A  23     -24.232  -2.651 -19.462  1.00 31.13           O
ATOM    411  CB  ARG A  23     -22.833  -1.945 -16.981  1.00 10.22           C
ATOM    412  CG  ARG A  23     -22.094  -2.293 -15.722  1.00  1.43           C
ATOM    413  CD  ARG A  23     -21.945  -3.797 -15.513  1.00 14.32           C
ATOM    414  NE  ARG A  23     -21.144  -4.072 -14.315  1.00 62.24           N
ATOM    415  CZ  ARG A  23     -20.704  -5.270 -13.910  1.00 65.30           C
ATOM    416  NH1 ARG A  23     -21.003  -6.389 -14.578  1.00 24.24           N
ATOM    417  NH2 ARG A  23     -19.954  -5.344 -12.816  1.00 12.43           N
ATOM      0  H   ARG A  23     -20.595  -1.051 -17.792  1.00 74.40           H   new
ATOM      0  HA  ARG A  23     -21.954  -3.471 -18.223  1.00 71.52           H   new
ATOM      0  HB2 ARG A  23     -22.964  -0.864 -17.020  1.00 10.22           H   new
ATOM      0  HB3 ARG A  23     -23.829  -2.385 -16.933  1.00 10.22           H   new
ATOM      0  HG2 ARG A  23     -21.105  -1.836 -15.750  1.00  1.43           H   new
ATOM      0  HG3 ARG A  23     -22.619  -1.864 -14.869  1.00  1.43           H   new
ATOM      0  HD2 ARG A  23     -22.929  -4.256 -15.413  1.00 14.32           H   new
ATOM      0  HD3 ARG A  23     -21.471  -4.246 -16.386  1.00 14.32           H   new
ATOM      0  HE  ARG A  23     -20.898  -3.271 -13.733  1.00 62.24           H   new
ATOM      0 HH11 ARG A  23     -21.579  -6.343 -15.418  1.00 24.24           H   new
ATOM      0 HH12 ARG A  23     -20.655  -7.289 -14.247  1.00 24.24           H   new
ATOM      0 HH21 ARG A  23     -19.722  -4.496 -12.299  1.00 12.43           H   new
ATOM      0 HH22 ARG A  23     -19.610  -6.249 -12.493  1.00 12.43           H   new
ATOM    431  N   LEU A  24     -22.751  -1.248 -20.352  1.00 52.41           N
ATOM    432  CA  LEU A  24     -23.588  -1.004 -21.504  1.00 42.22           C
ATOM    433  C   LEU A  24     -23.257  -1.966 -22.676  1.00 44.05           C
ATOM    434  O   LEU A  24     -24.159  -2.644 -23.161  1.00  2.53           O
ATOM    435  CB  LEU A  24     -23.615   0.475 -21.938  1.00 44.02           C
ATOM    436  CG  LEU A  24     -24.559   0.806 -23.106  1.00 20.50           C
ATOM    437  CD1 LEU A  24     -26.009   0.515 -22.736  1.00 40.43           C
ATOM    438  CD2 LEU A  24     -24.400   2.249 -23.529  1.00 73.14           C
ATOM      0  H   LEU A  24     -21.888  -0.706 -20.321  1.00 52.41           H   new
ATOM      0  HA  LEU A  24     -24.607  -1.228 -21.189  1.00 42.22           H   new
ATOM      0  HB2 LEU A  24     -23.901   1.082 -21.079  1.00 44.02           H   new
ATOM      0  HB3 LEU A  24     -22.604   0.772 -22.216  1.00 44.02           H   new
ATOM      0  HG  LEU A  24     -24.289   0.168 -23.947  1.00 20.50           H   new
ATOM      0 HD11 LEU A  24     -26.655   0.758 -23.579  1.00 40.43           H   new
ATOM      0 HD12 LEU A  24     -26.116  -0.541 -22.489  1.00 40.43           H   new
ATOM      0 HD13 LEU A  24     -26.293   1.120 -21.875  1.00 40.43           H   new
ATOM      0 HD21 LEU A  24     -25.077   2.462 -24.356  1.00 73.14           H   new
ATOM      0 HD22 LEU A  24     -24.636   2.902 -22.689  1.00 73.14           H   new
ATOM      0 HD23 LEU A  24     -23.372   2.424 -23.847  1.00 73.14           H   new
ATOM    450  N   PRO A  25     -21.967  -2.076 -23.161  1.00 62.43           N
ATOM    451  CA  PRO A  25     -21.622  -3.021 -24.238  1.00 61.51           C
ATOM    452  C   PRO A  25     -21.628  -4.467 -23.774  1.00 44.42           C
ATOM    453  O   PRO A  25     -21.628  -5.405 -24.570  1.00 53.33           O
ATOM    454  CB  PRO A  25     -20.231  -2.594 -24.711  1.00 14.34           C
ATOM    455  CG  PRO A  25     -19.970  -1.287 -24.044  1.00 71.21           C
ATOM    456  CD  PRO A  25     -20.787  -1.286 -22.785  1.00 64.02           C
ATOM      0  HA  PRO A  25     -22.361  -2.986 -25.039  1.00 61.51           H   new
ATOM      0  HB2 PRO A  25     -19.478  -3.333 -24.436  1.00 14.34           H   new
ATOM      0  HB3 PRO A  25     -20.198  -2.495 -25.796  1.00 14.34           H   new
ATOM      0  HG2 PRO A  25     -18.910  -1.170 -23.820  1.00 71.21           H   new
ATOM      0  HG3 PRO A  25     -20.252  -0.457 -24.691  1.00 71.21           H   new
ATOM      0  HD2 PRO A  25     -20.247  -1.737 -21.952  1.00 64.02           H   new
ATOM      0  HD3 PRO A  25     -21.058  -0.275 -22.479  1.00 64.02           H   new
ATOM    464  N   LYS A  26     -21.652  -4.620 -22.515  1.00 44.11           N
ATOM    465  CA  LYS A  26     -21.713  -5.915 -21.882  1.00 34.31           C
ATOM    466  C   LYS A  26     -23.025  -6.071 -21.169  1.00 61.45           C
ATOM    467  O   LYS A  26     -23.475  -5.163 -20.467  1.00 33.41           O
ATOM    468  CB  LYS A  26     -20.577  -6.115 -20.868  1.00 25.41           C
ATOM    469  CG  LYS A  26     -19.179  -6.217 -21.451  1.00 14.20           C
ATOM    470  CD  LYS A  26     -19.038  -7.439 -22.344  1.00 30.52           C
ATOM    471  CE  LYS A  26     -17.592  -7.668 -22.749  1.00  2.13           C
ATOM    472  NZ  LYS A  26     -17.020  -6.533 -23.492  1.00 64.52           N
ATOM      0  H   LYS A  26     -21.630  -3.841 -21.857  1.00 44.11           H   new
ATOM      0  HA  LYS A  26     -21.609  -6.663 -22.668  1.00 34.31           H   new
ATOM      0  HB2 LYS A  26     -20.596  -5.285 -20.162  1.00 25.41           H   new
ATOM      0  HB3 LYS A  26     -20.780  -7.022 -20.299  1.00 25.41           H   new
ATOM      0  HG2 LYS A  26     -18.956  -5.318 -22.025  1.00 14.20           H   new
ATOM      0  HG3 LYS A  26     -18.449  -6.269 -20.643  1.00 14.20           H   new
ATOM      0  HD2 LYS A  26     -19.414  -8.318 -21.821  1.00 30.52           H   new
ATOM      0  HD3 LYS A  26     -19.651  -7.312 -23.236  1.00 30.52           H   new
ATOM      0  HE2 LYS A  26     -16.994  -7.850 -21.856  1.00  2.13           H   new
ATOM      0  HE3 LYS A  26     -17.530  -8.567 -23.363  1.00  2.13           H   new
ATOM      0  HZ1 LYS A  26     -16.062  -6.777 -23.816  1.00 64.52           H   new
ATOM      0  HZ2 LYS A  26     -17.619  -6.319 -24.315  1.00 64.52           H   new
ATOM      0  HZ3 LYS A  26     -16.974  -5.700 -22.871  1.00 64.52           H   new