USER  MOD reduce.3.24.130724 H: found=0, std=0, add=209, rem=0, adj=2
USER  MOD reduce.3.24.130724 removed 211 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  20 GLN     :      amide:sc=  -0.532  K(o=-1.5,f=-2.7)
USER  MOD Set 1.2: A  24 ASN     :      amide:sc=  -0.959  K(o=-1.5,f=-3.2!)
USER  MOD Single : A   7 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  15 TYR OH  :   rot  120:sc=  0.0461
USER  MOD Single : A  17 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD Single : A  21 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  28 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM     12  N   ALA A   2       1.404  -0.110  -3.036  1.00  1.45           N
ATOM     13  CA  ALA A   2       1.179  -1.535  -3.242  1.00  3.13           C
ATOM     14  C   ALA A   2       1.935  -2.038  -4.467  1.00 23.44           C
ATOM     15  O   ALA A   2       2.387  -3.183  -4.501  1.00 62.32           O
ATOM     16  CB  ALA A   2      -0.309  -1.819  -3.384  1.00 24.43           C
ATOM      0  HA  ALA A   2       1.558  -2.068  -2.370  1.00  3.13           H   new
ATOM      0  HB1 ALA A   2      -0.463  -2.887  -3.537  1.00 24.43           H   new
ATOM      0  HB2 ALA A   2      -0.828  -1.504  -2.478  1.00 24.43           H   new
ATOM      0  HB3 ALA A   2      -0.704  -1.269  -4.238  1.00 24.43           H   new
ATOM     22  N   ILE A   3       2.068  -1.177  -5.469  1.00 44.13           N
ATOM     23  CA  ILE A   3       2.770  -1.535  -6.696  1.00 22.24           C
ATOM     24  C   ILE A   3       4.150  -2.108  -6.392  1.00  4.02           C
ATOM     25  O   ILE A   3       4.654  -2.963  -7.121  1.00 61.31           O
ATOM     26  CB  ILE A   3       2.925  -0.321  -7.631  1.00 30.42           C
ATOM     27  CG1 ILE A   3       1.554   0.268  -7.969  1.00 31.23           C
ATOM     28  CG2 ILE A   3       3.663  -0.721  -8.900  1.00 20.23           C
ATOM     29  CD1 ILE A   3       1.627   1.543  -8.779  1.00 63.22           C
ATOM      0  H   ILE A   3       1.699  -0.226  -5.456  1.00 44.13           H   new
ATOM      0  HA  ILE A   3       2.166  -2.293  -7.195  1.00 22.24           H   new
ATOM      0  HB  ILE A   3       3.511   0.442  -7.118  1.00 30.42           H   new
ATOM      0 HG12 ILE A   3       0.976  -0.472  -8.523  1.00 31.23           H   new
ATOM      0 HG13 ILE A   3       1.014   0.466  -7.043  1.00 31.23           H   new
ATOM      0 HG21 ILE A   3       3.765   0.147  -9.551  1.00 20.23           H   new
ATOM      0 HG22 ILE A   3       4.652  -1.099  -8.642  1.00 20.23           H   new
ATOM      0 HG23 ILE A   3       3.101  -1.499  -9.418  1.00 20.23           H   new
ATOM      0 HD11 ILE A   3       0.619   1.904  -8.982  1.00 63.22           H   new
ATOM      0 HD12 ILE A   3       2.177   2.299  -8.219  1.00 63.22           H   new
ATOM      0 HD13 ILE A   3       2.138   1.347  -9.721  1.00 63.22           H   new
ATOM     41  N   LEU A   4       4.757  -1.633  -5.310  1.00 11.42           N
ATOM     42  CA  LEU A   4       6.079  -2.099  -4.907  1.00  4.40           C
ATOM     43  C   LEU A   4       6.119  -3.621  -4.828  1.00 23.34           C
ATOM     44  O   LEU A   4       7.083  -4.250  -5.263  1.00 24.34           O
ATOM     45  CB  LEU A   4       6.464  -1.496  -3.555  1.00  2.22           C
ATOM     46  CG  LEU A   4       7.944  -1.581  -3.178  1.00 72.35           C
ATOM     47  CD1 LEU A   4       8.331  -0.426  -2.268  1.00 73.22           C
ATOM     48  CD2 LEU A   4       8.248  -2.914  -2.510  1.00 70.33           C
ATOM      0  H   LEU A   4       4.354  -0.925  -4.696  1.00 11.42           H   new
ATOM      0  HA  LEU A   4       6.797  -1.774  -5.660  1.00  4.40           H   new
ATOM      0  HB2 LEU A   4       6.168  -0.447  -3.550  1.00  2.22           H   new
ATOM      0  HB3 LEU A   4       5.883  -1.994  -2.779  1.00  2.22           H   new
ATOM      0  HG  LEU A   4       8.536  -1.511  -4.090  1.00 72.35           H   new
ATOM      0 HD11 LEU A   4       9.387  -0.504  -2.011  1.00 73.22           H   new
ATOM      0 HD12 LEU A   4       8.151   0.518  -2.782  1.00 73.22           H   new
ATOM      0 HD13 LEU A   4       7.732  -0.463  -1.358  1.00 73.22           H   new
ATOM      0 HD21 LEU A   4       9.305  -2.957  -2.249  1.00 70.33           H   new
ATOM      0 HD22 LEU A   4       7.646  -3.014  -1.607  1.00 70.33           H   new
ATOM      0 HD23 LEU A   4       8.010  -3.727  -3.196  1.00 70.33           H   new
ATOM     60  N   ALA A   5       5.064  -4.208  -4.271  1.00  4.50           N
ATOM     61  CA  ALA A   5       4.977  -5.656  -4.139  1.00 30.53           C
ATOM     62  C   ALA A   5       4.625  -6.309  -5.471  1.00 61.22           C
ATOM     63  O   ALA A   5       4.939  -7.477  -5.703  1.00  5.00           O
ATOM     64  CB  ALA A   5       3.950  -6.029  -3.079  1.00 45.31           C
ATOM      0  H   ALA A   5       4.258  -3.702  -3.904  1.00  4.50           H   new
ATOM      0  HA  ALA A   5       5.954  -6.027  -3.829  1.00 30.53           H   new
ATOM      0  HB1 ALA A   5       3.896  -7.114  -2.991  1.00 45.31           H   new
ATOM      0  HB2 ALA A   5       4.245  -5.602  -2.121  1.00 45.31           H   new
ATOM      0  HB3 ALA A   5       2.973  -5.639  -3.365  1.00 45.31           H   new
ATOM     70  N   ILE A   6       3.971  -5.549  -6.343  1.00  1.23           N
ATOM     71  CA  ILE A   6       3.577  -6.054  -7.652  1.00 23.21           C
ATOM     72  C   ILE A   6       4.769  -6.107  -8.602  1.00 31.11           C
ATOM     73  O   ILE A   6       5.178  -7.181  -9.044  1.00 23.31           O
ATOM     74  CB  ILE A   6       2.472  -5.186  -8.281  1.00 74.12           C
ATOM     75  CG1 ILE A   6       1.253  -5.125  -7.358  1.00 23.24           C
ATOM     76  CG2 ILE A   6       2.082  -5.733  -9.646  1.00 54.23           C
ATOM     77  CD1 ILE A   6       0.293  -4.006  -7.697  1.00 23.42           C
ATOM      0  H   ILE A   6       3.703  -4.581  -6.166  1.00  1.23           H   new
ATOM      0  HA  ILE A   6       3.192  -7.062  -7.499  1.00 23.21           H   new
ATOM      0  HB  ILE A   6       2.856  -4.174  -8.412  1.00 74.12           H   new
ATOM      0 HG12 ILE A   6       0.722  -6.076  -7.408  1.00 23.24           H   new
ATOM      0 HG13 ILE A   6       1.592  -5.003  -6.329  1.00 23.24           H   new
ATOM      0 HG21 ILE A   6       1.300  -5.109 -10.078  1.00 54.23           H   new
ATOM      0 HG22 ILE A   6       2.953  -5.730 -10.302  1.00 54.23           H   new
ATOM      0 HG23 ILE A   6       1.714  -6.753  -9.537  1.00 54.23           H   new
ATOM      0 HD11 ILE A   6      -0.546  -4.024  -7.002  1.00 23.42           H   new
ATOM      0 HD12 ILE A   6       0.808  -3.049  -7.619  1.00 23.42           H   new
ATOM      0 HD13 ILE A   6      -0.075  -4.138  -8.714  1.00 23.42           H   new
ATOM     89  N   THR A   7       5.324  -4.940  -8.912  1.00  2.41           N
ATOM     90  CA  THR A   7       6.470  -4.852  -9.809  1.00 34.12           C
ATOM     91  C   THR A   7       7.603  -5.760  -9.344  1.00 13.44           C
ATOM     92  O   THR A   7       8.374  -6.272 -10.155  1.00 65.13           O
ATOM     93  CB  THR A   7       6.994  -3.407  -9.912  1.00 34.34           C
ATOM     94  OG1 THR A   7       7.971  -3.314 -10.954  1.00 10.41           O
ATOM     95  CG2 THR A   7       7.606  -2.959  -8.593  1.00 40.43           C
ATOM      0  H   THR A   7       4.998  -4.042  -8.555  1.00  2.41           H   new
ATOM      0  HA  THR A   7       6.128  -5.177 -10.792  1.00 34.12           H   new
ATOM      0  HB  THR A   7       6.153  -2.754 -10.144  1.00 34.34           H   new
ATOM      0  HG1 THR A   7       8.298  -2.392 -11.014  1.00 10.41           H   new
ATOM      0 HG21 THR A   7       7.969  -1.936  -8.689  1.00 40.43           H   new
ATOM      0 HG22 THR A   7       6.851  -3.004  -7.808  1.00 40.43           H   new
ATOM      0 HG23 THR A   7       8.437  -3.616  -8.335  1.00 40.43           H   new
ATOM    103  N   LEU A   8       7.698  -5.955  -8.033  1.00 75.31           N
ATOM    104  CA  LEU A   8       8.737  -6.803  -7.459  1.00 41.23           C
ATOM    105  C   LEU A   8       8.386  -8.279  -7.618  1.00 15.42           C
ATOM    106  O   LEU A   8       9.160  -9.055  -8.174  1.00 62.44           O
ATOM    107  CB  LEU A   8       8.935  -6.470  -5.979  1.00 52.15           C
ATOM    108  CG  LEU A   8      10.189  -7.048  -5.323  1.00 71.42           C
ATOM    109  CD1 LEU A   8      10.654  -6.157  -4.182  1.00 41.44           C
ATOM    110  CD2 LEU A   8       9.926  -8.462  -4.825  1.00  3.15           C
ATOM      0  H   LEU A   8       7.068  -5.537  -7.348  1.00 75.31           H   new
ATOM      0  HA  LEU A   8       9.666  -6.610  -7.996  1.00 41.23           H   new
ATOM      0  HB2 LEU A   8       8.960  -5.386  -5.871  1.00 52.15           H   new
ATOM      0  HB3 LEU A   8       8.064  -6.825  -5.428  1.00 52.15           H   new
ATOM      0  HG  LEU A   8      10.981  -7.088  -6.071  1.00 71.42           H   new
ATOM      0 HD11 LEU A   8      11.548  -6.585  -3.727  1.00 41.44           H   new
ATOM      0 HD12 LEU A   8      10.883  -5.163  -4.567  1.00 41.44           H   new
ATOM      0 HD13 LEU A   8       9.865  -6.084  -3.433  1.00 41.44           H   new
ATOM      0 HD21 LEU A   8      10.829  -8.858  -4.361  1.00  3.15           H   new
ATOM      0 HD22 LEU A   8       9.119  -8.446  -4.093  1.00  3.15           H   new
ATOM      0 HD23 LEU A   8       9.641  -9.096  -5.664  1.00  3.15           H   new
ATOM    122  N   GLY A   9       7.210  -8.658  -7.126  1.00 11.12           N
ATOM    123  CA  GLY A   9       6.775 -10.039  -7.225  1.00  2.04           C
ATOM    124  C   GLY A   9       6.813 -10.558  -8.648  1.00 60.31           C
ATOM    125  O   GLY A   9       7.198 -11.703  -8.888  1.00 71.11           O
ATOM      0  H   GLY A   9       6.551  -8.033  -6.661  1.00 11.12           H   new
ATOM      0  HA2 GLY A   9       7.411 -10.663  -6.597  1.00  2.04           H   new
ATOM      0  HA3 GLY A   9       5.760 -10.126  -6.837  1.00  2.04           H   new
ATOM    129  N   ILE A  10       6.411  -9.716  -9.594  1.00 64.32           N
ATOM    130  CA  ILE A  10       6.401 -10.097 -11.001  1.00 74.41           C
ATOM    131  C   ILE A  10       7.812 -10.112 -11.578  1.00  3.25           C
ATOM    132  O   ILE A  10       8.090 -10.814 -12.550  1.00 24.34           O
ATOM    133  CB  ILE A  10       5.527  -9.143 -11.836  1.00 71.03           C
ATOM    134  CG1 ILE A  10       4.093  -9.132 -11.303  1.00 53.44           C
ATOM    135  CG2 ILE A  10       5.550  -9.550 -13.302  1.00 71.01           C
ATOM    136  CD1 ILE A  10       3.424 -10.488 -11.340  1.00 12.14           C
ATOM      0  H   ILE A  10       6.088  -8.766  -9.412  1.00 64.32           H   new
ATOM      0  HA  ILE A  10       5.980 -11.101 -11.052  1.00 74.41           H   new
ATOM      0  HB  ILE A  10       5.933  -8.135 -11.753  1.00 71.03           H   new
ATOM      0 HG12 ILE A  10       4.099  -8.767 -10.276  1.00 53.44           H   new
ATOM      0 HG13 ILE A  10       3.502  -8.428 -11.889  1.00 53.44           H   new
ATOM      0 HG21 ILE A  10       4.928  -8.866 -13.879  1.00 71.01           H   new
ATOM      0 HG22 ILE A  10       6.574  -9.511 -13.674  1.00 71.01           H   new
ATOM      0 HG23 ILE A  10       5.165 -10.565 -13.404  1.00 71.01           H   new
ATOM      0 HD11 ILE A  10       2.411 -10.405 -10.947  1.00 12.14           H   new
ATOM      0 HD12 ILE A  10       3.386 -10.847 -12.368  1.00 12.14           H   new
ATOM      0 HD13 ILE A  10       3.992 -11.191 -10.731  1.00 12.14           H   new
ATOM    148  N   PHE A  11       8.701  -9.333 -10.970  1.00 44.34           N
ATOM    149  CA  PHE A  11      10.086  -9.256 -11.423  1.00 33.15           C
ATOM    150  C   PHE A  11      10.909 -10.407 -10.852  1.00 32.15           C
ATOM    151  O   PHE A  11      11.910 -10.819 -11.437  1.00 52.41           O
ATOM    152  CB  PHE A  11      10.705  -7.919 -11.012  1.00 41.52           C
ATOM    153  CG  PHE A  11      12.154  -7.789 -11.386  1.00 70.04           C
ATOM    154  CD1 PHE A  11      13.106  -7.478 -10.429  1.00 35.25           C
ATOM    155  CD2 PHE A  11      12.564  -7.978 -12.696  1.00 43.44           C
ATOM    156  CE1 PHE A  11      14.440  -7.359 -10.769  1.00 53.44           C
ATOM    157  CE2 PHE A  11      13.897  -7.860 -13.043  1.00 51.21           C
ATOM    158  CZ  PHE A  11      14.836  -7.549 -12.079  1.00 14.32           C
ATOM      0  H   PHE A  11       8.488  -8.747 -10.163  1.00 44.34           H   new
ATOM      0  HA  PHE A  11      10.092  -9.332 -12.510  1.00 33.15           H   new
ATOM      0  HB2 PHE A  11      10.144  -7.109 -11.478  1.00 41.52           H   new
ATOM      0  HB3 PHE A  11      10.604  -7.797  -9.934  1.00 41.52           H   new
ATOM      0  HD1 PHE A  11      12.802  -7.327  -9.404  1.00 35.25           H   new
ATOM      0  HD2 PHE A  11      11.834  -8.220 -13.454  1.00 43.44           H   new
ATOM      0  HE1 PHE A  11      15.172  -7.118 -10.012  1.00 53.44           H   new
ATOM      0  HE2 PHE A  11      14.204  -8.011 -14.067  1.00 51.21           H   new
ATOM      0  HZ  PHE A  11      15.878  -7.455 -12.349  1.00 14.32           H   new
ATOM    168  N   ALA A  12      10.479 -10.922  -9.704  1.00  1.40           N
ATOM    169  CA  ALA A  12      11.174 -12.026  -9.054  1.00  3.51           C
ATOM    170  C   ALA A  12      11.224 -13.252  -9.959  1.00 31.03           C
ATOM    171  O   ALA A  12      12.297 -13.784 -10.243  1.00 64.31           O
ATOM    172  CB  ALA A  12      10.501 -12.368  -7.733  1.00 63.41           C
ATOM      0  H   ALA A  12       9.653 -10.592  -9.205  1.00  1.40           H   new
ATOM      0  HA  ALA A  12      12.199 -11.712  -8.856  1.00  3.51           H   new
ATOM      0  HB1 ALA A  12      11.030 -13.194  -7.258  1.00 63.41           H   new
ATOM      0  HB2 ALA A  12      10.524 -11.498  -7.077  1.00 63.41           H   new
ATOM      0  HB3 ALA A  12       9.466 -12.657  -7.916  1.00 63.41           H   new
ATOM    192  N   GLY A  14      11.025 -13.416 -12.912  1.00 65.33           N
ATOM    193  CA  GLY A  14      11.810 -13.123 -14.097  1.00 44.41           C
ATOM    194  C   GLY A  14      13.152 -13.827 -14.093  1.00 24.22           C
ATOM    195  O   GLY A  14      13.711 -14.121 -15.150  1.00 54.02           O
ATOM      0  HA2 GLY A  14      11.250 -13.421 -14.983  1.00 44.41           H   new
ATOM      0  HA3 GLY A  14      11.968 -12.047 -14.167  1.00 44.41           H   new
ATOM    199  N   TYR A  15      13.673 -14.098 -12.901  1.00 12.20           N
ATOM    200  CA  TYR A  15      14.960 -14.769 -12.763  1.00 41.45           C
ATOM    201  C   TYR A  15      14.808 -16.278 -12.923  1.00 74.12           C
ATOM    202  O   TYR A  15      15.180 -16.846 -13.949  1.00 32.20           O
ATOM    203  CB  TYR A  15      15.583 -14.449 -11.403  1.00 52.34           C
ATOM    204  CG  TYR A  15      16.180 -13.062 -11.322  1.00 12.01           C
ATOM    205  CD1 TYR A  15      17.227 -12.685 -12.154  1.00 72.12           C
ATOM    206  CD2 TYR A  15      15.698 -12.129 -10.412  1.00 52.13           C
ATOM    207  CE1 TYR A  15      17.776 -11.419 -12.083  1.00 31.51           C
ATOM    208  CE2 TYR A  15      16.240 -10.861 -10.335  1.00 52.30           C
ATOM    209  CZ  TYR A  15      17.279 -10.511 -11.172  1.00 53.31           C
ATOM    210  OH  TYR A  15      17.822  -9.249 -11.097  1.00 42.23           O
ATOM      0  H   TYR A  15      13.223 -13.863 -12.016  1.00 12.20           H   new
ATOM      0  HA  TYR A  15      15.618 -14.403 -13.551  1.00 41.45           H   new
ATOM      0  HB2 TYR A  15      14.821 -14.553 -10.630  1.00 52.34           H   new
ATOM      0  HB3 TYR A  15      16.359 -15.183 -11.187  1.00 52.34           H   new
ATOM      0  HD1 TYR A  15      17.619 -13.394 -12.869  1.00 72.12           H   new
ATOM      0  HD2 TYR A  15      14.886 -12.400  -9.754  1.00 52.13           H   new
ATOM      0  HE1 TYR A  15      18.590 -11.142 -12.737  1.00 31.51           H   new
ATOM      0  HE2 TYR A  15      15.852 -10.147  -9.623  1.00 52.30           H   new
ATOM      0  HH  TYR A  15      17.130  -8.583 -11.293  1.00 42.23           H   new
ATOM    220  N   GLY A  16      14.256 -16.922 -11.899  1.00 71.41           N
ATOM    221  CA  GLY A  16      14.063 -18.360 -11.945  1.00 14.05           C
ATOM    222  C   GLY A  16      14.425 -19.035 -10.637  1.00 21.32           C
ATOM    223  O   GLY A  16      14.542 -18.378  -9.603  1.00 21.11           O
ATOM      0  H   GLY A  16      13.939 -16.474 -11.039  1.00 71.41           H   new
ATOM      0  HA2 GLY A  16      13.022 -18.576 -12.186  1.00 14.05           H   new
ATOM      0  HA3 GLY A  16      14.670 -18.780 -12.747  1.00 14.05           H   new
ATOM    227  N   MET A  17      14.602 -20.352 -10.681  1.00 54.25           N
ATOM    228  CA  MET A  17      14.952 -21.116  -9.490  1.00 64.32           C
ATOM    229  C   MET A  17      16.445 -21.010  -9.196  1.00 64.33           C
ATOM    230  O   MET A  17      16.847 -20.526  -8.139  1.00 31.52           O
ATOM    231  CB  MET A  17      14.558 -22.584  -9.666  1.00 22.04           C
ATOM    232  CG  MET A  17      13.055 -22.810  -9.694  1.00 64.42           C
ATOM    233  SD  MET A  17      12.354 -22.612 -11.344  1.00  3.35           S
ATOM    234  CE  MET A  17      12.709 -24.216 -12.058  1.00  1.53           C
ATOM      0  H   MET A  17      14.509 -20.912 -11.529  1.00 54.25           H   new
ATOM      0  HA  MET A  17      14.403 -20.699  -8.646  1.00 64.32           H   new
ATOM      0  HB2 MET A  17      14.991 -22.959 -10.593  1.00 22.04           H   new
ATOM      0  HB3 MET A  17      14.990 -23.168  -8.853  1.00 22.04           H   new
ATOM      0  HG2 MET A  17      12.835 -23.813  -9.328  1.00 64.42           H   new
ATOM      0  HG3 MET A  17      12.573 -22.109  -9.012  1.00 64.42           H   new
ATOM      0  HE1 MET A  17      12.335 -24.250 -13.081  1.00  1.53           H   new
ATOM      0  HE2 MET A  17      13.786 -24.383 -12.059  1.00  1.53           H   new
ATOM      0  HE3 MET A  17      12.222 -24.993 -11.468  1.00  1.53           H   new
ATOM    244  N   GLY A  18      17.264 -21.466 -10.140  1.00 31.53           N
ATOM    245  CA  GLY A  18      18.703 -21.414  -9.962  1.00 22.01           C
ATOM    246  C   GLY A  18      19.288 -20.073 -10.358  1.00 52.24           C
ATOM    247  O   GLY A  18      20.392 -19.721  -9.942  1.00 73.02           O
ATOM      0  H   GLY A  18      16.956 -21.870 -11.024  1.00 31.53           H   new
ATOM      0  HA2 GLY A  18      18.945 -21.619  -8.919  1.00 22.01           H   new
ATOM      0  HA3 GLY A  18      19.168 -22.200 -10.557  1.00 22.01           H   new
ATOM    251  N   VAL A  19      18.547 -19.322 -11.167  1.00 50.22           N
ATOM    252  CA  VAL A  19      18.999 -18.012 -11.621  1.00 15.22           C
ATOM    253  C   VAL A  19      19.253 -17.080 -10.442  1.00 11.53           C
ATOM    254  O   VAL A  19      20.379 -16.635 -10.222  1.00  1.02           O
ATOM    255  CB  VAL A  19      17.971 -17.360 -12.564  1.00 54.44           C
ATOM    256  CG1 VAL A  19      18.449 -15.985 -13.007  1.00 73.10           C
ATOM    257  CG2 VAL A  19      17.708 -18.255 -13.766  1.00 43.52           C
ATOM      0  H   VAL A  19      17.631 -19.598 -11.521  1.00 50.22           H   new
ATOM      0  HA  VAL A  19      19.931 -18.169 -12.164  1.00 15.22           H   new
ATOM      0  HB  VAL A  19      17.034 -17.235 -12.021  1.00 54.44           H   new
ATOM      0 HG11 VAL A  19      17.710 -15.540 -13.673  1.00 73.10           H   new
ATOM      0 HG12 VAL A  19      18.581 -15.347 -12.133  1.00 73.10           H   new
ATOM      0 HG13 VAL A  19      19.399 -16.082 -13.533  1.00 73.10           H   new
ATOM      0 HG21 VAL A  19      16.979 -17.779 -14.422  1.00 43.52           H   new
ATOM      0 HG22 VAL A  19      18.638 -18.414 -14.312  1.00 43.52           H   new
ATOM      0 HG23 VAL A  19      17.318 -19.215 -13.427  1.00 43.52           H   new
ATOM    267  N   GLN A  20      18.199 -16.788  -9.686  1.00 73.35           N
ATOM    268  CA  GLN A  20      18.308 -15.908  -8.529  1.00 64.21           C
ATOM    269  C   GLN A  20      19.114 -16.570  -7.416  1.00 70.32           C
ATOM    270  O   GLN A  20      19.725 -15.893  -6.590  1.00 11.54           O
ATOM    271  CB  GLN A  20      16.918 -15.532  -8.014  1.00 71.41           C
ATOM    272  CG  GLN A  20      16.068 -16.732  -7.626  1.00 40.45           C
ATOM    273  CD  GLN A  20      16.299 -17.173  -6.195  1.00  5.43           C
ATOM    274  OE1 GLN A  20      16.449 -16.346  -5.295  1.00 13.44           O
ATOM    275  NE2 GLN A  20      16.330 -18.482  -5.976  1.00  5.01           N
ATOM      0  H   GLN A  20      17.260 -17.148  -9.854  1.00 73.35           H   new
ATOM      0  HA  GLN A  20      18.829 -15.003  -8.841  1.00 64.21           H   new
ATOM      0  HB2 GLN A  20      17.025 -14.878  -7.149  1.00 71.41           H   new
ATOM      0  HB3 GLN A  20      16.397 -14.961  -8.783  1.00 71.41           H   new
ATOM      0  HG2 GLN A  20      15.015 -16.485  -7.760  1.00 40.45           H   new
ATOM      0  HG3 GLN A  20      16.289 -17.561  -8.298  1.00 40.45           H   new
ATOM      0 HE21 GLN A  20      16.201 -19.132  -6.751  1.00  5.01           H   new
ATOM      0 HE22 GLN A  20      16.483 -18.838  -5.032  1.00  5.01           H   new
ATOM    284  N   LYS A  21      19.111 -17.899  -7.400  1.00 52.13           N
ATOM    285  CA  LYS A  21      19.842 -18.654  -6.390  1.00 33.23           C
ATOM    286  C   LYS A  21      21.347 -18.489  -6.570  1.00 63.45           C
ATOM    287  O   LYS A  21      22.114 -18.618  -5.617  1.00 21.43           O
ATOM    288  CB  LYS A  21      19.468 -20.136  -6.462  1.00 32.52           C
ATOM    289  CG  LYS A  21      20.178 -20.994  -5.428  1.00 51.24           C
ATOM    290  CD  LYS A  21      19.424 -22.286  -5.162  1.00 53.25           C
ATOM    291  CE  LYS A  21      19.337 -23.148  -6.412  1.00 64.24           C
ATOM    292  NZ  LYS A  21      18.937 -24.547  -6.095  1.00 14.23           N
ATOM      0  H   LYS A  21      18.610 -18.475  -8.076  1.00 52.13           H   new
ATOM      0  HA  LYS A  21      19.567 -18.263  -5.410  1.00 33.23           H   new
ATOM      0  HB2 LYS A  21      18.391 -20.237  -6.328  1.00 32.52           H   new
ATOM      0  HB3 LYS A  21      19.702 -20.513  -7.457  1.00 32.52           H   new
ATOM      0  HG2 LYS A  21      21.185 -21.224  -5.775  1.00 51.24           H   new
ATOM      0  HG3 LYS A  21      20.281 -20.434  -4.498  1.00 51.24           H   new
ATOM      0  HD2 LYS A  21      19.923 -22.843  -4.369  1.00 53.25           H   new
ATOM      0  HD3 LYS A  21      18.420 -22.056  -4.807  1.00 53.25           H   new
ATOM      0  HE2 LYS A  21      18.616 -22.712  -7.104  1.00 64.24           H   new
ATOM      0  HE3 LYS A  21      20.302 -23.152  -6.918  1.00 64.24           H   new
ATOM      0  HZ1 LYS A  21      18.889 -25.102  -6.973  1.00 14.23           H   new
ATOM      0  HZ2 LYS A  21      19.638 -24.972  -5.455  1.00 14.23           H   new
ATOM      0  HZ3 LYS A  21      18.004 -24.546  -5.635  1.00 14.23           H   new
ATOM    306  N   ALA A  22      21.763 -18.202  -7.800  1.00 22.43           N
ATOM    307  CA  ALA A  22      23.177 -18.016  -8.104  1.00 35.51           C
ATOM    308  C   ALA A  22      23.809 -16.991  -7.169  1.00 50.13           C
ATOM    309  O   ALA A  22      24.936 -17.170  -6.708  1.00 25.32           O
ATOM    310  CB  ALA A  22      23.353 -17.591  -9.554  1.00 74.11           C
ATOM      0  H   ALA A  22      21.141 -18.093  -8.601  1.00 22.43           H   new
ATOM      0  HA  ALA A  22      23.685 -18.968  -7.952  1.00 35.51           H   new
ATOM      0  HB1 ALA A  22      24.413 -17.456  -9.767  1.00 74.11           H   new
ATOM      0  HB2 ALA A  22      22.946 -18.360 -10.211  1.00 74.11           H   new
ATOM      0  HB3 ALA A  22      22.826 -16.652  -9.725  1.00 74.11           H   new
ATOM    316  N   ILE A  23      23.077 -15.917  -6.895  1.00 11.40           N
ATOM    317  CA  ILE A  23      23.567 -14.863  -6.015  1.00 20.10           C
ATOM    318  C   ILE A  23      23.599 -15.330  -4.564  1.00 13.45           C
ATOM    319  O   ILE A  23      24.374 -14.822  -3.755  1.00 25.32           O
ATOM    320  CB  ILE A  23      22.698 -13.595  -6.116  1.00 62.51           C
ATOM    321  CG1 ILE A  23      22.578 -13.149  -7.574  1.00 54.54           C
ATOM    322  CG2 ILE A  23      23.285 -12.482  -5.262  1.00  0.41           C
ATOM    323  CD1 ILE A  23      21.586 -12.025  -7.782  1.00 71.31           C
ATOM      0  H   ILE A  23      22.142 -15.753  -7.270  1.00 11.40           H   new
ATOM      0  HA  ILE A  23      24.580 -14.626  -6.340  1.00 20.10           H   new
ATOM      0  HB  ILE A  23      21.700 -13.824  -5.743  1.00 62.51           H   new
ATOM      0 HG12 ILE A  23      23.557 -12.829  -7.929  1.00 54.54           H   new
ATOM      0 HG13 ILE A  23      22.281 -14.002  -8.183  1.00 54.54           H   new
ATOM      0 HG21 ILE A  23      22.660 -11.593  -5.344  1.00  0.41           H   new
ATOM      0 HG22 ILE A  23      23.324 -12.804  -4.221  1.00  0.41           H   new
ATOM      0 HG23 ILE A  23      24.292 -12.251  -5.608  1.00  0.41           H   new
ATOM      0 HD11 ILE A  23      21.553 -11.760  -8.839  1.00 71.31           H   new
ATOM      0 HD12 ILE A  23      20.597 -12.348  -7.458  1.00 71.31           H   new
ATOM      0 HD13 ILE A  23      21.893 -11.156  -7.200  1.00 71.31           H   new
ATOM    335  N   ASN A  24      22.751 -16.301  -4.241  1.00 72.13           N
ATOM    336  CA  ASN A  24      22.682 -16.838  -2.887  1.00 44.10           C
ATOM    337  C   ASN A  24      23.775 -17.878  -2.658  1.00 40.22           C
ATOM    338  O   ASN A  24      24.314 -17.995  -1.558  1.00  3.34           O
ATOM    339  CB  ASN A  24      21.308 -17.461  -2.632  1.00  4.22           C
ATOM    340  CG  ASN A  24      20.173 -16.514  -2.969  1.00 13.14           C
ATOM    341  OD1 ASN A  24      19.195 -16.902  -3.608  1.00 70.01           O
ATOM    342  ND2 ASN A  24      20.298 -15.264  -2.538  1.00 53.24           N
ATOM      0  H   ASN A  24      22.102 -16.732  -4.899  1.00 72.13           H   new
ATOM      0  HA  ASN A  24      22.836 -16.015  -2.188  1.00 44.10           H   new
ATOM      0  HB2 ASN A  24      21.208 -18.370  -3.226  1.00  4.22           H   new
ATOM      0  HB3 ASN A  24      21.234 -17.755  -1.585  1.00  4.22           H   new
ATOM      0 HD21 ASN A  24      19.566 -14.582  -2.733  1.00 53.24           H   new
ATOM      0 HD22 ASN A  24      21.126 -14.986  -2.012  1.00 53.24           H   new
ATOM    349  N   ASP A  25      24.097 -18.630  -3.705  1.00 14.02           N
ATOM    350  CA  ASP A  25      25.126 -19.659  -3.619  1.00 61.33           C
ATOM    351  C   ASP A  25      26.414 -19.092  -3.031  1.00 42.10           C
ATOM    352  O   ASP A  25      27.171 -19.802  -2.368  1.00 52.41           O
ATOM    353  CB  ASP A  25      25.400 -20.253  -5.002  1.00 43.30           C
ATOM    354  CG  ASP A  25      26.428 -21.367  -4.961  1.00 11.44           C
ATOM    355  OD1 ASP A  25      27.633 -21.058  -4.850  1.00 63.54           O
ATOM    356  OD2 ASP A  25      26.027 -22.546  -5.038  1.00 34.45           O
ATOM      0  H   ASP A  25      23.660 -18.546  -4.623  1.00 14.02           H   new
ATOM      0  HA  ASP A  25      24.763 -20.447  -2.959  1.00 61.33           H   new
ATOM      0  HB2 ASP A  25      24.469 -20.637  -5.420  1.00 43.30           H   new
ATOM      0  HB3 ASP A  25      25.749 -19.465  -5.670  1.00 43.30           H   new
ATOM    361  N   ARG A  26      26.657 -17.809  -3.279  1.00 62.02           N
ATOM    362  CA  ARG A  26      27.855 -17.147  -2.776  1.00 71.12           C
ATOM    363  C   ARG A  26      27.544 -16.345  -1.516  1.00 21.12           C
ATOM    364  O   ARG A  26      28.369 -16.255  -0.607  1.00  0.25           O
ATOM    365  CB  ARG A  26      28.443 -16.227  -3.847  1.00 54.54           C
ATOM    366  CG  ARG A  26      28.709 -16.925  -5.171  1.00  1.30           C
ATOM    367  CD  ARG A  26      29.755 -16.185  -5.990  1.00 64.20           C
ATOM    368  NE  ARG A  26      31.108 -16.422  -5.492  1.00 71.15           N
ATOM    369  CZ  ARG A  26      32.193 -15.863  -6.018  1.00 35.33           C
ATOM    370  NH1 ARG A  26      32.084 -15.039  -7.051  1.00 32.34           N
ATOM    371  NH2 ARG A  26      33.389 -16.128  -5.509  1.00 62.21           N
ATOM      0  H   ARG A  26      26.040 -17.207  -3.825  1.00 62.02           H   new
ATOM      0  HA  ARG A  26      28.586 -17.915  -2.526  1.00 71.12           H   new
ATOM      0  HB2 ARG A  26      27.758 -15.396  -4.015  1.00 54.54           H   new
ATOM      0  HB3 ARG A  26      29.376 -15.802  -3.476  1.00 54.54           H   new
ATOM      0  HG2 ARG A  26      29.046 -17.945  -4.985  1.00  1.30           H   new
ATOM      0  HG3 ARG A  26      27.782 -16.994  -5.740  1.00  1.30           H   new
ATOM      0  HD2 ARG A  26      29.691 -16.502  -7.031  1.00 64.20           H   new
ATOM      0  HD3 ARG A  26      29.543 -15.116  -5.968  1.00 64.20           H   new
ATOM      0  HE  ARG A  26      31.226 -17.051  -4.697  1.00 71.15           H   new
ATOM      0 HH11 ARG A  26      31.166 -14.833  -7.444  1.00 32.34           H   new
ATOM      0 HH12 ARG A  26      32.918 -14.611  -7.453  1.00 32.34           H   new
ATOM      0 HH21 ARG A  26      33.476 -16.761  -4.714  1.00 62.21           H   new
ATOM      0 HH22 ARG A  26      34.222 -15.699  -5.913  1.00 62.21           H   new
ATOM    385  N   ARG A  27      26.350 -15.764  -1.470  1.00 35.53           N
ATOM    386  CA  ARG A  27      25.931 -14.969  -0.322  1.00 54.32           C
ATOM    387  C   ARG A  27      24.412 -14.987  -0.173  1.00 41.34           C
ATOM    388  O   ARG A  27      23.730 -14.029  -0.540  1.00 31.54           O
ATOM    389  CB  ARG A  27      26.422 -13.527  -0.467  1.00 65.52           C
ATOM    390  CG  ARG A  27      27.917 -13.369  -0.243  1.00 44.32           C
ATOM    391  CD  ARG A  27      28.318 -13.788   1.162  1.00 32.55           C
ATOM    392  NE  ARG A  27      29.662 -13.333   1.508  1.00 54.30           N
ATOM    393  CZ  ARG A  27      30.770 -13.958   1.128  1.00 61.21           C
ATOM    394  NH1 ARG A  27      30.695 -15.059   0.393  1.00 23.55           N
ATOM    395  NH2 ARG A  27      31.957 -13.482   1.482  1.00 52.30           N
ATOM      0  H   ARG A  27      25.656 -15.829  -2.214  1.00 35.53           H   new
ATOM      0  HA  ARG A  27      26.372 -15.408   0.573  1.00 54.32           H   new
ATOM      0  HB2 ARG A  27      26.172 -13.165  -1.464  1.00 65.52           H   new
ATOM      0  HB3 ARG A  27      25.888 -12.897   0.244  1.00 65.52           H   new
ATOM      0  HG2 ARG A  27      28.461 -13.970  -0.972  1.00 44.32           H   new
ATOM      0  HG3 ARG A  27      28.203 -12.330  -0.409  1.00 44.32           H   new
ATOM      0  HD2 ARG A  27      27.603 -13.384   1.878  1.00 32.55           H   new
ATOM      0  HD3 ARG A  27      28.271 -14.874   1.243  1.00 32.55           H   new
ATOM      0  HE  ARG A  27      29.754 -12.489   2.073  1.00 54.30           H   new
ATOM      0 HH11 ARG A  27      29.785 -15.428   0.118  1.00 23.55           H   new
ATOM      0 HH12 ARG A  27      31.548 -15.537   0.102  1.00 23.55           H   new
ATOM      0 HH21 ARG A  27      32.019 -12.635   2.047  1.00 52.30           H   new
ATOM      0 HH22 ARG A  27      32.807 -13.963   1.189  1.00 52.30           H   new
ATOM    409  N   LYS A  28      23.889 -16.082   0.366  1.00 33.42           N
ATOM    410  CA  LYS A  28      22.451 -16.226   0.565  1.00 64.42           C
ATOM    411  C   LYS A  28      21.879 -15.015   1.293  1.00 13.24           C
ATOM    412  O   LYS A  28      21.020 -14.308   0.765  1.00 31.32           O
ATOM    413  CB  LYS A  28      22.150 -17.501   1.357  1.00  4.41           C
ATOM    414  CG  LYS A  28      22.670 -18.765   0.696  1.00 64.23           C
ATOM    415  CD  LYS A  28      22.378 -19.996   1.538  1.00  2.40           C
ATOM    416  CE  LYS A  28      22.110 -21.215   0.669  1.00 23.03           C
ATOM    417  NZ  LYS A  28      21.886 -22.440   1.486  1.00 12.33           N
ATOM      0  H   LYS A  28      24.439 -16.884   0.673  1.00 33.42           H   new
ATOM      0  HA  LYS A  28      21.979 -16.295  -0.415  1.00 64.42           H   new
ATOM      0  HB2 LYS A  28      22.589 -17.414   2.351  1.00  4.41           H   new
ATOM      0  HB3 LYS A  28      21.072 -17.589   1.492  1.00  4.41           H   new
ATOM      0  HG2 LYS A  28      22.211 -18.878  -0.286  1.00 64.23           H   new
ATOM      0  HG3 LYS A  28      23.745 -18.678   0.538  1.00 64.23           H   new
ATOM      0  HD2 LYS A  28      23.223 -20.196   2.197  1.00  2.40           H   new
ATOM      0  HD3 LYS A  28      21.515 -19.806   2.176  1.00  2.40           H   new
ATOM      0  HE2 LYS A  28      21.236 -21.030   0.044  1.00 23.03           H   new
ATOM      0  HE3 LYS A  28      22.954 -21.375  -0.002  1.00 23.03           H   new
ATOM      0  HZ1 LYS A  28      21.707 -23.249   0.857  1.00 12.33           H   new
ATOM      0  HZ2 LYS A  28      22.729 -22.631   2.064  1.00 12.33           H   new
ATOM      0  HZ3 LYS A  28      21.065 -22.297   2.108  1.00 12.33           H   new