REMARK ID 702933 DOMAINID 692955 MODEL 1 exendin-4
MODEL     1
REMARK    Rerank model05.pdb to model01.pdb score: 20.105
REMARK    S_0000_0002
REMARK    SCORE         fa_elec:         -63.585
REMARK    SCORE          fa_dun:          47.410
REMARK    SCORE     cart_bonded:          25.027
REMARK    SCORE coordinate_constraint:           0.000
REMARK    SCORE          fa_atr:        -184.249
REMARK    SCORE            time:           0.000
REMARK    SCORE           score:        -151.101
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE           omega:          -0.107
REMARK    SCORE     lk_ball_wtd:          -7.581
REMARK    SCORE             ref:          -3.176
REMARK    SCORE    fa_intra_rep:           0.303
REMARK    SCORE          fa_rep:          22.553
REMARK    SCORE     rama_prepro:          -5.712
REMARK    SCORE fa_intra_sol_xover4:           7.193
REMARK    SCORE     hbond_sr_bb:         -18.686
REMARK    SCORE     hbond_lr_bb:          -1.082
REMARK    SCORE          fa_sol:         128.908
REMARK    SCORE dihedral_constraint:           0.000
REMARK    SCORE     hbond_bb_sc:          -9.672
REMARK    SCORE     total_score:        -151.101
REMARK    SCORE        hbond_sc:          -3.375
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     description: best_scoring0001_0001_0001
REMARK    SCORE atom_pair_constraint:         -74.983
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE         p_aa_pp:         -10.287
REMARK    SCORE angle_constraint:           0.000
REMARK    SCORE       dslf_fa13:           0.000
ATOM      1  N   HIS A   1      -0.196   0.357   0.050  1.00  4.29           N  
ATOM      2  CA  HIS A   1       1.245   0.241  -0.022  1.00  3.73           C  
ATOM      3  C   HIS A   1       1.847   1.664  -0.084  1.00  3.72           C  
ATOM      4  O   HIS A   1       1.256   2.601   0.458  1.00  3.85           O  
ATOM      5  CB  HIS A   1       1.608  -0.693  -1.187  1.00  5.45           C  
ATOM      6  CG  HIS A   1       3.069  -1.025  -1.354  1.00  5.45           C  
ATOM      7  ND1 HIS A   1       3.875  -0.321  -2.210  1.00  5.45           N  
ATOM      8  CD2 HIS A   1       3.863  -1.951  -0.770  1.00  5.45           C  
ATOM      9  CE1 HIS A   1       5.114  -0.810  -2.158  1.00  5.45           C  
ATOM     10  NE2 HIS A   1       5.126  -1.790  -1.290  1.00  5.45           N  
ATOM     11 1H   HIS A   1      -0.566  -0.400   0.609  1.00  5.15           H  
ATOM     12 2H   HIS A   1      -0.410   1.237   0.497  1.00  5.15           H  
ATOM     13 3H   HIS A   1      -0.605   0.312  -0.888  1.00  5.15           H  
ATOM     14  HA  HIS A   1       1.618  -0.229   0.887  1.00  4.48           H  
ATOM     15 1HB  HIS A   1       1.062  -1.618  -1.089  1.00  6.54           H  
ATOM     16 2HB  HIS A   1       1.261  -0.233  -2.093  1.00  6.54           H  
ATOM     17  HD2 HIS A   1       3.576  -2.682  -0.043  1.00  6.54           H  
ATOM     18  HE1 HIS A   1       5.972  -0.462  -2.732  1.00  6.54           H  
ATOM     19  HE2 HIS A   1       5.942  -2.348  -1.056  1.00  6.54           H  
ATOM     20  N   GLY A   2       3.006   1.854  -0.716  1.00  3.93           N  
ATOM     21  CA  GLY A   2       3.699   3.147  -0.716  1.00  4.28           C  
ATOM     22  C   GLY A   2       2.913   4.307  -1.306  1.00  3.90           C  
ATOM     23  O   GLY A   2       2.998   5.436  -0.830  1.00  4.27           O  
ATOM     24  H   GLY A   2       3.446   1.090  -1.209  1.00  4.72           H  
ATOM     25 1HA  GLY A   2       3.982   3.395   0.307  1.00  5.14           H  
ATOM     26 2HA  GLY A   2       4.633   3.035  -1.268  1.00  5.14           H  
ATOM     27  N   GLU A   3       2.114   4.021  -2.318  1.00  3.50           N  
ATOM     28  CA  GLU A   3       1.316   5.026  -3.001  1.00  3.46           C  
ATOM     29  C   GLU A   3      -0.058   5.239  -2.371  1.00  3.33           C  
ATOM     30  O   GLU A   3      -0.874   5.992  -2.905  1.00  3.68           O  
ATOM     31  CB  GLU A   3       1.157   4.630  -4.467  1.00  4.86           C  
ATOM     32  CG  GLU A   3       2.453   4.616  -5.261  1.00  4.86           C  
ATOM     33  CD  GLU A   3       2.268   4.141  -6.677  1.00  4.86           C  
ATOM     34  OE1 GLU A   3       1.177   3.748  -7.014  1.00  4.86           O  
ATOM     35  OE2 GLU A   3       3.220   4.165  -7.420  1.00  4.86           O  
ATOM     36  H   GLU A   3       2.112   3.078  -2.680  1.00  4.20           H  
ATOM     37  HA  GLU A   3       1.855   5.972  -2.957  1.00  4.15           H  
ATOM     38 1HB  GLU A   3       0.740   3.641  -4.517  1.00  5.83           H  
ATOM     39 2HB  GLU A   3       0.462   5.311  -4.960  1.00  5.83           H  
ATOM     40 1HG  GLU A   3       2.866   5.623  -5.276  1.00  5.83           H  
ATOM     41 2HG  GLU A   3       3.168   3.968  -4.756  1.00  5.83           H  
ATOM     42  N   GLY A   4      -0.366   4.515  -1.289  1.00  3.21           N  
ATOM     43  CA  GLY A   4      -1.677   4.629  -0.652  1.00  3.57           C  
ATOM     44  C   GLY A   4      -2.743   3.834  -1.399  1.00  3.23           C  
ATOM     45  O   GLY A   4      -3.937   3.994  -1.164  1.00  3.73           O  
ATOM     46  H   GLY A   4       0.346   3.929  -0.846  1.00  3.85           H  
ATOM     47 1HA  GLY A   4      -1.609   4.272   0.375  1.00  4.28           H  
ATOM     48 2HA  GLY A   4      -1.968   5.678  -0.607  1.00  4.28           H  
ATOM     49  N   THR A   5      -2.299   2.996  -2.326  1.00  2.73           N  
ATOM     50  CA  THR A   5      -3.209   2.205  -3.147  1.00  2.75           C  
ATOM     51  C   THR A   5      -2.717   0.797  -3.479  1.00  2.28           C  
ATOM     52  O   THR A   5      -1.756   0.249  -2.898  1.00  2.46           O  
ATOM     53  CB  THR A   5      -3.512   2.941  -4.470  1.00  3.84           C  
ATOM     54  OG1 THR A   5      -4.562   2.254  -5.142  1.00  3.84           O  
ATOM     55  CG2 THR A   5      -2.265   3.002  -5.376  1.00  3.84           C  
ATOM     56  H   THR A   5      -1.305   2.948  -2.470  1.00  3.28           H  
ATOM     57  HA  THR A   5      -4.149   2.099  -2.606  1.00  3.30           H  
ATOM     58  HB  THR A   5      -3.839   3.956  -4.248  1.00  4.61           H  
ATOM     59  HG1 THR A   5      -4.781   2.729  -5.978  1.00  4.61           H  
ATOM     60 1HG2 THR A   5      -2.519   3.533  -6.293  1.00  4.61           H  
ATOM     61 2HG2 THR A   5      -1.495   3.541  -4.854  1.00  4.61           H  
ATOM     62 3HG2 THR A   5      -1.896   2.020  -5.639  1.00  4.61           H  
ATOM     63  N   PHE A   6      -3.399   0.206  -4.451  1.00  2.22           N  
ATOM     64  CA  PHE A   6      -3.130  -1.130  -4.932  1.00  2.17           C  
ATOM     65  C   PHE A   6      -1.949  -1.050  -5.889  1.00  2.18           C  
ATOM     66  O   PHE A   6      -2.097  -0.800  -7.089  1.00  2.57           O  
ATOM     67  CB  PHE A   6      -4.374  -1.650  -5.670  1.00  3.06           C  
ATOM     68  CG  PHE A   6      -4.447  -3.114  -6.083  1.00  3.06           C  
ATOM     69  CD1 PHE A   6      -3.397  -4.014  -5.978  1.00  3.06           C  
ATOM     70  CD2 PHE A   6      -5.647  -3.590  -6.563  1.00  3.06           C  
ATOM     71  CE1 PHE A   6      -3.583  -5.338  -6.326  1.00  3.06           C  
ATOM     72  CE2 PHE A   6      -5.806  -4.892  -6.911  1.00  3.06           C  
ATOM     73  CZ  PHE A   6      -4.774  -5.765  -6.784  1.00  3.06           C  
ATOM     74  H   PHE A   6      -4.182   0.726  -4.846  1.00  2.66           H  
ATOM     75  HA  PHE A   6      -2.870  -1.770  -4.093  1.00  2.60           H  
ATOM     76 1HB  PHE A   6      -5.241  -1.447  -5.059  1.00  3.67           H  
ATOM     77 2HB  PHE A   6      -4.507  -1.074  -6.548  1.00  3.67           H  
ATOM     78  HD1 PHE A   6      -2.429  -3.699  -5.621  1.00  3.67           H  
ATOM     79  HD2 PHE A   6      -6.492  -2.896  -6.658  1.00  3.67           H  
ATOM     80  HE1 PHE A   6      -2.775  -6.050  -6.236  1.00  3.67           H  
ATOM     81  HE2 PHE A   6      -6.762  -5.230  -7.286  1.00  3.67           H  
ATOM     82  HZ  PHE A   6      -4.899  -6.805  -7.059  1.00  3.67           H  
ATOM     83  N   THR A   7      -0.767  -1.252  -5.331  1.00  2.34           N  
ATOM     84  CA  THR A   7       0.480  -1.187  -6.082  1.00  2.67           C  
ATOM     85  C   THR A   7       0.901  -2.597  -6.437  1.00  2.54           C  
ATOM     86  O   THR A   7       0.222  -3.577  -6.091  1.00  2.65           O  
ATOM     87  CB  THR A   7       1.634  -0.521  -5.315  1.00  3.61           C  
ATOM     88  OG1 THR A   7       2.053  -1.377  -4.245  1.00  3.61           O  
ATOM     89  CG2 THR A   7       1.173   0.815  -4.762  1.00  3.61           C  
ATOM     90  H   THR A   7      -0.741  -1.382  -4.321  1.00  2.81           H  
ATOM     91  HA  THR A   7       0.312  -0.629  -6.995  1.00  3.20           H  
ATOM     92  HB  THR A   7       2.474  -0.350  -5.984  1.00  4.33           H  
ATOM     93  HG1 THR A   7       2.778  -0.938  -3.731  1.00  4.33           H  
ATOM     94 1HG2 THR A   7       1.993   1.289  -4.228  1.00  4.33           H  
ATOM     95 2HG2 THR A   7       0.862   1.455  -5.591  1.00  4.33           H  
ATOM     96 3HG2 THR A   7       0.344   0.677  -4.094  1.00  4.33           H  
ATOM     97  N   SER A   8       2.036  -2.709  -7.120  1.00  2.84           N  
ATOM     98  CA  SER A   8       2.573  -3.988  -7.561  1.00  3.18           C  
ATOM     99  C   SER A   8       2.858  -4.961  -6.402  1.00  2.81           C  
ATOM    100  O   SER A   8       2.928  -6.172  -6.608  1.00  3.19           O  
ATOM    101  CB  SER A   8       3.826  -3.748  -8.376  1.00  4.32           C  
ATOM    102  OG  SER A   8       4.830  -3.174  -7.593  1.00  4.32           O  
ATOM    103  H   SER A   8       2.554  -1.880  -7.366  1.00  3.41           H  
ATOM    104  HA  SER A   8       1.858  -4.436  -8.226  1.00  3.82           H  
ATOM    105 1HB  SER A   8       4.174  -4.696  -8.783  1.00  5.18           H  
ATOM    106 2HB  SER A   8       3.593  -3.098  -9.219  1.00  5.18           H  
ATOM    107  HG  SER A   8       5.611  -3.135  -8.152  1.00  5.18           H  
ATOM    108  N   ASP A   9       3.001  -4.438  -5.181  1.00  2.50           N  
ATOM    109  CA  ASP A   9       3.270  -5.253  -3.995  1.00  2.57           C  
ATOM    110  C   ASP A   9       2.047  -5.499  -3.097  1.00  2.09           C  
ATOM    111  O   ASP A   9       2.197  -6.016  -1.979  1.00  2.19           O  
ATOM    112  CB  ASP A   9       4.373  -4.620  -3.143  1.00  3.57           C  
ATOM    113  CG  ASP A   9       5.816  -4.645  -3.746  1.00  3.57           C  
ATOM    114  OD1 ASP A   9       6.160  -5.536  -4.513  1.00  3.57           O  
ATOM    115  OD2 ASP A   9       6.586  -3.798  -3.366  1.00  3.57           O  
ATOM    116  H   ASP A   9       2.904  -3.429  -5.069  1.00  3.00           H  
ATOM    117  HA  ASP A   9       3.631  -6.223  -4.335  1.00  3.08           H  
ATOM    118 1HB  ASP A   9       4.105  -3.586  -3.031  1.00  4.28           H  
ATOM    119 2HB  ASP A   9       4.382  -5.060  -2.149  1.00  4.28           H  
ATOM    120  N   LEU A  10       0.825  -5.183  -3.547  1.00  1.93           N  
ATOM    121  CA  LEU A  10      -0.306  -5.394  -2.635  1.00  2.03           C  
ATOM    122  C   LEU A  10      -0.432  -6.863  -2.212  1.00  1.87           C  
ATOM    123  O   LEU A  10      -0.888  -7.140  -1.105  1.00  1.97           O  
ATOM    124  CB  LEU A  10      -1.664  -4.939  -3.202  1.00  2.81           C  
ATOM    125  CG  LEU A  10      -2.900  -4.822  -2.123  1.00  2.81           C  
ATOM    126  CD1 LEU A  10      -2.613  -3.760  -1.104  1.00  2.81           C  
ATOM    127  CD2 LEU A  10      -4.226  -4.479  -2.789  1.00  2.81           C  
ATOM    128  H   LEU A  10       0.699  -4.758  -4.473  1.00  2.32           H  
ATOM    129  HA  LEU A  10      -0.100  -4.802  -1.758  1.00  2.44           H  
ATOM    130 1HB  LEU A  10      -1.518  -3.964  -3.654  1.00  3.37           H  
ATOM    131 2HB  LEU A  10      -1.954  -5.647  -3.969  1.00  3.37           H  
ATOM    132  HG  LEU A  10      -2.998  -5.763  -1.600  1.00  3.37           H  
ATOM    133 1HD1 LEU A  10      -3.437  -3.721  -0.409  1.00  3.37           H  
ATOM    134 2HD1 LEU A  10      -1.725  -3.964  -0.573  1.00  3.37           H  
ATOM    135 3HD1 LEU A  10      -2.516  -2.799  -1.608  1.00  3.37           H  
ATOM    136 1HD2 LEU A  10      -4.999  -4.423  -2.031  1.00  3.37           H  
ATOM    137 2HD2 LEU A  10      -4.155  -3.528  -3.278  1.00  3.37           H  
ATOM    138 3HD2 LEU A  10      -4.492  -5.241  -3.514  1.00  3.37           H  
ATOM    139  N   SER A  11      -0.034  -7.821  -3.055  1.00  2.01           N  
ATOM    140  CA  SER A  11      -0.162  -9.230  -2.679  1.00  2.34           C  
ATOM    141  C   SER A  11       0.719  -9.595  -1.467  1.00  2.07           C  
ATOM    142  O   SER A  11       0.490 -10.614  -0.811  1.00  2.28           O  
ATOM    143  CB  SER A  11       0.186 -10.135  -3.847  1.00  3.15           C  
ATOM    144  OG  SER A  11       1.554 -10.098  -4.152  1.00  3.15           O  
ATOM    145  H   SER A  11       0.342  -7.592  -3.967  1.00  2.41           H  
ATOM    146  HA  SER A  11      -1.198  -9.413  -2.406  1.00  2.81           H  
ATOM    147 1HB  SER A  11      -0.112 -11.158  -3.612  1.00  3.78           H  
ATOM    148 2HB  SER A  11      -0.391  -9.823  -4.718  1.00  3.78           H  
ATOM    149  HG  SER A  11       1.676 -10.684  -4.907  1.00  3.78           H  
ATOM    150  N   LYS A  12       1.730  -8.769  -1.169  1.00  2.01           N  
ATOM    151  CA  LYS A  12       2.617  -8.973  -0.030  1.00  2.26           C  
ATOM    152  C   LYS A  12       1.934  -8.359   1.197  1.00  2.04           C  
ATOM    153  O   LYS A  12       1.939  -8.916   2.305  1.00  2.31           O  
ATOM    154  CB  LYS A  12       3.949  -8.285  -0.316  1.00  3.06           C  
ATOM    155  CG  LYS A  12       4.739  -8.928  -1.444  1.00  3.06           C  
ATOM    156  CD  LYS A  12       5.950  -8.089  -1.807  1.00  3.06           C  
ATOM    157  CE  LYS A  12       6.727  -8.691  -2.962  1.00  3.06           C  
ATOM    158  NZ  LYS A  12       7.745  -7.745  -3.488  1.00  3.06           N  
ATOM    159  H   LYS A  12       1.858  -7.934  -1.738  1.00  2.41           H  
ATOM    160  HA  LYS A  12       2.763 -10.039   0.139  1.00  2.71           H  
ATOM    161 1HB  LYS A  12       3.783  -7.243  -0.563  1.00  3.67           H  
ATOM    162 2HB  LYS A  12       4.565  -8.309   0.581  1.00  3.67           H  
ATOM    163 1HG  LYS A  12       5.063  -9.922  -1.139  1.00  3.67           H  
ATOM    164 2HG  LYS A  12       4.096  -9.029  -2.324  1.00  3.67           H  
ATOM    165 1HD  LYS A  12       5.621  -7.103  -2.103  1.00  3.67           H  
ATOM    166 2HD  LYS A  12       6.606  -7.992  -0.946  1.00  3.67           H  
ATOM    167 1HE  LYS A  12       7.228  -9.595  -2.616  1.00  3.67           H  
ATOM    168 2HE  LYS A  12       6.039  -8.953  -3.767  1.00  3.67           H  
ATOM    169 1HZ  LYS A  12       8.244  -8.167  -4.249  1.00  3.67           H  
ATOM    170 2HZ  LYS A  12       7.250  -6.885  -3.839  1.00  3.67           H  
ATOM    171 3HZ  LYS A  12       8.394  -7.485  -2.764  1.00  3.67           H  
ATOM    172  N   GLN A  13       1.304  -7.206   0.948  1.00  1.91           N  
ATOM    173  CA  GLN A  13       0.570  -6.430   1.947  1.00  2.28           C  
ATOM    174  C   GLN A  13      -0.584  -7.270   2.493  1.00  2.03           C  
ATOM    175  O   GLN A  13      -0.894  -7.221   3.677  1.00  2.37           O  
ATOM    176  CB  GLN A  13       0.069  -5.150   1.283  1.00  3.04           C  
ATOM    177  CG  GLN A  13       1.175  -4.160   0.894  1.00  3.04           C  
ATOM    178  CD  GLN A  13       1.787  -3.384   2.046  1.00  3.04           C  
ATOM    179  OE1 GLN A  13       1.138  -2.496   2.604  1.00  3.04           O  
ATOM    180  NE2 GLN A  13       3.012  -3.719   2.425  1.00  3.04           N  
ATOM    181  H   GLN A  13       1.397  -6.837  -0.004  1.00  2.29           H  
ATOM    182  HA  GLN A  13       1.238  -6.182   2.774  1.00  2.74           H  
ATOM    183 1HB  GLN A  13      -0.403  -5.430   0.398  1.00  3.65           H  
ATOM    184 2HB  GLN A  13      -0.687  -4.675   1.855  1.00  3.65           H  
ATOM    185 1HG  GLN A  13       1.972  -4.713   0.397  1.00  3.65           H  
ATOM    186 2HG  GLN A  13       0.745  -3.451   0.210  1.00  3.65           H  
ATOM    187 1HE2 GLN A  13       3.450  -3.238   3.187  1.00  3.65           H  
ATOM    188 2HE2 GLN A  13       3.507  -4.451   1.954  1.00  3.65           H  
ATOM    189  N   MET A  14      -1.168  -8.101   1.628  1.00  1.89           N  
ATOM    190  CA  MET A  14      -2.265  -9.007   1.970  1.00  2.24           C  
ATOM    191  C   MET A  14      -1.879 -10.085   2.979  1.00  1.88           C  
ATOM    192  O   MET A  14      -2.764 -10.718   3.562  1.00  2.22           O  
ATOM    193  CB  MET A  14      -2.826  -9.676   0.716  1.00  3.00           C  
ATOM    194  CG  MET A  14      -3.582  -8.749  -0.214  1.00  3.00           C  
ATOM    195  SD  MET A  14      -4.172  -9.552  -1.712  1.00  3.00           S  
ATOM    196  CE  MET A  14      -4.564  -8.135  -2.741  1.00  3.00           C  
ATOM    197  H   MET A  14      -0.881  -8.027   0.647  1.00  2.27           H  
ATOM    198  HA  MET A  14      -3.051  -8.421   2.428  1.00  2.69           H  
ATOM    199 1HB  MET A  14      -2.004 -10.123   0.154  1.00  3.60           H  
ATOM    200 2HB  MET A  14      -3.496 -10.482   1.007  1.00  3.60           H  
ATOM    201 1HG  MET A  14      -4.433  -8.380   0.321  1.00  3.60           H  
ATOM    202 2HG  MET A  14      -2.988  -7.915  -0.481  1.00  3.60           H  
ATOM    203 1HE  MET A  14      -4.948  -8.475  -3.702  1.00  3.60           H  
ATOM    204 2HE  MET A  14      -5.315  -7.516  -2.246  1.00  3.60           H  
ATOM    205 3HE  MET A  14      -3.663  -7.557  -2.907  1.00  3.60           H  
ATOM    206  N   GLU A  15      -0.583 -10.348   3.154  1.00  1.53           N  
ATOM    207  CA  GLU A  15      -0.166 -11.364   4.100  1.00  1.65           C  
ATOM    208  C   GLU A  15       0.285 -10.731   5.413  1.00  1.26           C  
ATOM    209  O   GLU A  15       0.092 -11.303   6.487  1.00  1.31           O  
ATOM    210  CB  GLU A  15       0.930 -12.239   3.498  1.00  2.27           C  
ATOM    211  CG  GLU A  15       0.465 -13.029   2.276  1.00  2.27           C  
ATOM    212  CD  GLU A  15      -0.630 -14.018   2.607  1.00  2.27           C  
ATOM    213  OE1 GLU A  15      -0.657 -14.500   3.721  1.00  2.27           O  
ATOM    214  OE2 GLU A  15      -1.436 -14.291   1.754  1.00  2.27           O  
ATOM    215  H   GLU A  15       0.129  -9.809   2.667  1.00  1.84           H  
ATOM    216  HA  GLU A  15      -1.011 -12.005   4.309  1.00  1.98           H  
ATOM    217 1HB  GLU A  15       1.767 -11.608   3.194  1.00  2.72           H  
ATOM    218 2HB  GLU A  15       1.294 -12.939   4.248  1.00  2.72           H  
ATOM    219 1HG  GLU A  15       0.099 -12.328   1.520  1.00  2.72           H  
ATOM    220 2HG  GLU A  15       1.317 -13.559   1.855  1.00  2.72           H  
ATOM    221  N   GLU A  16       0.901  -9.555   5.340  1.00  1.52           N  
ATOM    222  CA  GLU A  16       1.371  -8.898   6.554  1.00  1.72           C  
ATOM    223  C   GLU A  16       0.237  -8.596   7.551  1.00  1.58           C  
ATOM    224  O   GLU A  16      -0.720  -7.863   7.263  1.00  1.70           O  
ATOM    225  CB  GLU A  16       2.163  -7.634   6.189  1.00  2.33           C  
ATOM    226  CG  GLU A  16       2.594  -6.794   7.382  1.00  2.33           C  
ATOM    227  CD  GLU A  16       3.412  -7.524   8.380  1.00  2.33           C  
ATOM    228  OE1 GLU A  16       4.433  -8.069   8.039  1.00  2.33           O  
ATOM    229  OE2 GLU A  16       2.968  -7.567   9.516  1.00  2.33           O  
ATOM    230  H   GLU A  16       1.093  -9.153   4.418  1.00  1.82           H  
ATOM    231  HA  GLU A  16       2.064  -9.576   7.048  1.00  2.06           H  
ATOM    232 1HB  GLU A  16       3.059  -7.923   5.639  1.00  2.80           H  
ATOM    233 2HB  GLU A  16       1.566  -7.013   5.523  1.00  2.80           H  
ATOM    234 1HG  GLU A  16       3.176  -5.955   7.012  1.00  2.80           H  
ATOM    235 2HG  GLU A  16       1.715  -6.399   7.856  1.00  2.80           H  
ATOM    236  N   GLU A  17       0.384  -9.102   8.770  1.00  1.68           N  
ATOM    237  CA  GLU A  17      -0.631  -8.948   9.807  1.00  1.79           C  
ATOM    238  C   GLU A  17      -0.880  -7.491  10.170  1.00  1.56           C  
ATOM    239  O   GLU A  17      -2.013  -7.100  10.458  1.00  1.71           O  
ATOM    240  CB  GLU A  17      -0.252  -9.756  11.047  1.00  2.46           C  
ATOM    241  CG  GLU A  17      -0.366 -11.270  10.840  1.00  2.46           C  
ATOM    242  CD  GLU A  17       0.040 -12.077  12.040  1.00  2.46           C  
ATOM    243  OE1 GLU A  17       0.599 -11.517  12.953  1.00  2.46           O  
ATOM    244  OE2 GLU A  17      -0.226 -13.256  12.047  1.00  2.46           O  
ATOM    245  H   GLU A  17       1.214  -9.652   8.964  1.00  2.02           H  
ATOM    246  HA  GLU A  17      -1.562  -9.356   9.420  1.00  2.15           H  
ATOM    247 1HB  GLU A  17       0.776  -9.526  11.327  1.00  2.95           H  
ATOM    248 2HB  GLU A  17      -0.895  -9.474  11.879  1.00  2.95           H  
ATOM    249 1HG  GLU A  17      -1.397 -11.508  10.588  1.00  2.95           H  
ATOM    250 2HG  GLU A  17       0.255 -11.554   9.988  1.00  2.95           H  
ATOM    251  N   ALA A  18       0.161  -6.665  10.101  1.00  1.54           N  
ATOM    252  CA  ALA A  18       0.060  -5.248  10.428  1.00  1.83           C  
ATOM    253  C   ALA A  18      -0.538  -4.411   9.287  1.00  1.69           C  
ATOM    254  O   ALA A  18      -0.676  -3.195   9.422  1.00  1.86           O  
ATOM    255  CB  ALA A  18       1.433  -4.703  10.773  1.00  2.45           C  
ATOM    256  H   ALA A  18       1.092  -7.043   9.863  1.00  1.85           H  
ATOM    257  HA  ALA A  18      -0.592  -5.153  11.294  1.00  2.20           H  
ATOM    258 1HB  ALA A  18       1.352  -3.654  11.051  1.00  2.94           H  
ATOM    259 2HB  ALA A  18       1.848  -5.272  11.603  1.00  2.94           H  
ATOM    260 3HB  ALA A  18       2.086  -4.802   9.905  1.00  2.94           H  
ATOM    261  N   VAL A  19      -0.838  -5.040   8.149  1.00  1.57           N  
ATOM    262  CA  VAL A  19      -1.374  -4.354   6.982  1.00  1.67           C  
ATOM    263  C   VAL A  19      -2.783  -4.794   6.599  1.00  1.42           C  
ATOM    264  O   VAL A  19      -3.592  -3.953   6.200  1.00  1.46           O  
ATOM    265  CB  VAL A  19      -0.452  -4.500   5.778  1.00  2.29           C  
ATOM    266  CG1 VAL A  19      -1.085  -3.858   4.575  1.00  2.29           C  
ATOM    267  CG2 VAL A  19       0.875  -3.834   6.079  1.00  2.29           C  
ATOM    268  H   VAL A  19      -0.731  -6.053   8.095  1.00  1.88           H  
ATOM    269  HA  VAL A  19      -1.417  -3.291   7.215  1.00  2.00           H  
ATOM    270  HB  VAL A  19      -0.295  -5.558   5.558  1.00  2.75           H  
ATOM    271 1HG1 VAL A  19      -0.412  -3.968   3.802  1.00  2.75           H  
ATOM    272 2HG1 VAL A  19      -2.024  -4.338   4.307  1.00  2.75           H  
ATOM    273 3HG1 VAL A  19      -1.256  -2.799   4.761  1.00  2.75           H  
ATOM    274 1HG2 VAL A  19       1.537  -3.935   5.221  1.00  2.75           H  
ATOM    275 2HG2 VAL A  19       0.707  -2.780   6.284  1.00  2.75           H  
ATOM    276 3HG2 VAL A  19       1.328  -4.291   6.940  1.00  2.75           H  
ATOM    277  N   ARG A  20      -3.083  -6.096   6.705  1.00  1.35           N  
ATOM    278  CA  ARG A  20      -4.335  -6.694   6.215  1.00  1.38           C  
ATOM    279  C   ARG A  20      -5.617  -5.868   6.421  1.00  1.24           C  
ATOM    280  O   ARG A  20      -6.496  -5.870   5.554  1.00  1.36           O  
ATOM    281  CB  ARG A  20      -4.546  -8.071   6.823  1.00  1.92           C  
ATOM    282  CG  ARG A  20      -3.673  -9.178   6.238  1.00  1.92           C  
ATOM    283  CD  ARG A  20      -3.811 -10.438   6.988  1.00  1.92           C  
ATOM    284  NE  ARG A  20      -3.066 -11.543   6.371  1.00  1.92           N  
ATOM    285  CZ  ARG A  20      -2.713 -12.692   7.026  1.00  1.92           C  
ATOM    286  NH1 ARG A  20      -3.026 -12.842   8.304  1.00  1.92           N  
ATOM    287  NH2 ARG A  20      -2.056 -13.682   6.417  1.00  1.92           N  
ATOM    288  H   ARG A  20      -2.352  -6.724   7.054  1.00  1.62           H  
ATOM    289  HA  ARG A  20      -4.192  -6.866   5.158  1.00  1.66           H  
ATOM    290 1HB  ARG A  20      -4.336  -8.025   7.892  1.00  2.30           H  
ATOM    291 2HB  ARG A  20      -5.586  -8.369   6.702  1.00  2.30           H  
ATOM    292 1HG  ARG A  20      -4.009  -9.361   5.223  1.00  2.30           H  
ATOM    293 2HG  ARG A  20      -2.635  -8.891   6.215  1.00  2.30           H  
ATOM    294 1HD  ARG A  20      -3.421 -10.276   7.990  1.00  2.30           H  
ATOM    295 2HD  ARG A  20      -4.861 -10.715   7.040  1.00  2.30           H  
ATOM    296  HE  ARG A  20      -2.823 -11.438   5.365  1.00  2.30           H  
ATOM    297 1HH1 ARG A  20      -3.518 -12.116   8.797  1.00  2.30           H  
ATOM    298 2HH1 ARG A  20      -2.755 -13.682   8.798  1.00  2.30           H  
ATOM    299 1HH2 ARG A  20      -1.769 -13.633   5.425  1.00  2.30           H  
ATOM    300 2HH2 ARG A  20      -1.812 -14.508   6.932  1.00  2.30           H  
ATOM    301  N   LEU A  21      -5.736  -5.144   7.524  1.00  1.24           N  
ATOM    302  CA  LEU A  21      -6.937  -4.368   7.830  1.00  1.37           C  
ATOM    303  C   LEU A  21      -7.261  -3.321   6.756  1.00  1.25           C  
ATOM    304  O   LEU A  21      -8.401  -2.870   6.637  1.00  1.31           O  
ATOM    305  CB  LEU A  21      -6.733  -3.610   9.148  1.00  1.86           C  
ATOM    306  CG  LEU A  21      -6.617  -4.439  10.447  1.00  1.86           C  
ATOM    307  CD1 LEU A  21      -6.232  -3.493  11.579  1.00  1.86           C  
ATOM    308  CD2 LEU A  21      -7.943  -5.139  10.760  1.00  1.86           C  
ATOM    309  H   LEU A  21      -4.985  -5.156   8.200  1.00  1.49           H  
ATOM    310  HA  LEU A  21      -7.779  -5.048   7.897  1.00  1.64           H  
ATOM    311 1HB  LEU A  21      -5.820  -3.020   9.055  1.00  2.23           H  
ATOM    312 2HB  LEU A  21      -7.562  -2.915   9.269  1.00  2.23           H  
ATOM    313  HG  LEU A  21      -5.829  -5.184  10.341  1.00  2.23           H  
ATOM    314 1HD1 LEU A  21      -6.130  -4.057  12.506  1.00  2.23           H  
ATOM    315 2HD1 LEU A  21      -5.280  -3.010  11.344  1.00  2.23           H  
ATOM    316 3HD1 LEU A  21      -7.003  -2.732  11.699  1.00  2.23           H  
ATOM    317 1HD2 LEU A  21      -7.838  -5.705  11.685  1.00  2.23           H  
ATOM    318 2HD2 LEU A  21      -8.730  -4.394  10.878  1.00  2.23           H  
ATOM    319 3HD2 LEU A  21      -8.209  -5.821   9.960  1.00  2.23           H  
ATOM    320  N   PHE A  22      -6.245  -2.911   6.003  1.00  1.25           N  
ATOM    321  CA  PHE A  22      -6.372  -1.885   4.987  1.00  1.39           C  
ATOM    322  C   PHE A  22      -6.457  -2.405   3.559  1.00  1.21           C  
ATOM    323  O   PHE A  22      -6.480  -1.610   2.619  1.00  1.27           O  
ATOM    324  CB  PHE A  22      -5.169  -0.959   5.109  1.00  1.89           C  
ATOM    325  CG  PHE A  22      -5.165  -0.238   6.399  1.00  1.89           C  
ATOM    326  CD1 PHE A  22      -4.431  -0.727   7.475  1.00  1.89           C  
ATOM    327  CD2 PHE A  22      -5.898   0.926   6.559  1.00  1.89           C  
ATOM    328  CE1 PHE A  22      -4.440  -0.068   8.685  1.00  1.89           C  
ATOM    329  CE2 PHE A  22      -5.903   1.586   7.766  1.00  1.89           C  
ATOM    330  CZ  PHE A  22      -5.176   1.088   8.831  1.00  1.89           C  
ATOM    331  H   PHE A  22      -5.333  -3.348   6.146  1.00  1.50           H  
ATOM    332  HA  PHE A  22      -7.276  -1.315   5.197  1.00  1.67           H  
ATOM    333 1HB  PHE A  22      -4.252  -1.551   5.041  1.00  2.27           H  
ATOM    334 2HB  PHE A  22      -5.157  -0.247   4.309  1.00  2.27           H  
ATOM    335  HD1 PHE A  22      -3.850  -1.646   7.356  1.00  2.27           H  
ATOM    336  HD2 PHE A  22      -6.477   1.322   5.720  1.00  2.27           H  
ATOM    337  HE1 PHE A  22      -3.863  -0.462   9.524  1.00  2.27           H  
ATOM    338  HE2 PHE A  22      -6.483   2.501   7.885  1.00  2.27           H  
ATOM    339  HZ  PHE A  22      -5.182   1.610   9.786  1.00  2.27           H  
ATOM    340  N   ILE A  23      -6.544  -3.719   3.366  1.00  1.19           N  
ATOM    341  CA  ILE A  23      -6.557  -4.217   1.990  1.00  1.31           C  
ATOM    342  C   ILE A  23      -7.782  -3.788   1.218  1.00  1.15           C  
ATOM    343  O   ILE A  23      -7.659  -3.413   0.061  1.00  1.30           O  
ATOM    344  CB  ILE A  23      -6.403  -5.742   1.911  1.00  1.79           C  
ATOM    345  CG1 ILE A  23      -5.042  -6.149   2.509  1.00  1.79           C  
ATOM    346  CG2 ILE A  23      -6.542  -6.236   0.429  1.00  1.79           C  
ATOM    347  CD1 ILE A  23      -3.770  -5.612   1.864  1.00  1.79           C  
ATOM    348  H   ILE A  23      -6.562  -4.360   4.168  1.00  1.43           H  
ATOM    349  HA  ILE A  23      -5.715  -3.777   1.471  1.00  1.57           H  
ATOM    350  HB  ILE A  23      -7.176  -6.212   2.519  1.00  2.15           H  
ATOM    351 1HG1 ILE A  23      -5.033  -5.790   3.506  1.00  2.15           H  
ATOM    352 2HG1 ILE A  23      -4.999  -7.232   2.526  1.00  2.15           H  
ATOM    353 1HG2 ILE A  23      -6.442  -7.314   0.400  1.00  2.15           H  
ATOM    354 2HG2 ILE A  23      -7.512  -5.971   0.032  1.00  2.15           H  
ATOM    355 3HG2 ILE A  23      -5.773  -5.787  -0.192  1.00  2.15           H  
ATOM    356 1HD1 ILE A  23      -2.935  -5.969   2.429  1.00  2.15           H  
ATOM    357 2HD1 ILE A  23      -3.683  -5.952   0.843  1.00  2.15           H  
ATOM    358 3HD1 ILE A  23      -3.747  -4.542   1.884  1.00  2.15           H  
ATOM    359  N   GLU A  24      -8.985  -3.829   1.794  1.00  1.03           N  
ATOM    360  CA  GLU A  24     -10.136  -3.447   0.968  1.00  1.14           C  
ATOM    361  C   GLU A  24     -10.009  -1.993   0.517  1.00  1.09           C  
ATOM    362  O   GLU A  24     -10.318  -1.650  -0.628  1.00  1.29           O  
ATOM    363  CB  GLU A  24     -11.447  -3.627   1.739  1.00  1.56           C  
ATOM    364  CG  GLU A  24     -11.833  -5.079   2.028  1.00  1.56           C  
ATOM    365  CD  GLU A  24     -12.089  -5.892   0.780  1.00  1.56           C  
ATOM    366  OE1 GLU A  24     -12.706  -5.388  -0.123  1.00  1.56           O  
ATOM    367  OE2 GLU A  24     -11.653  -7.025   0.729  1.00  1.56           O  
ATOM    368  H   GLU A  24      -9.089  -4.132   2.753  1.00  1.24           H  
ATOM    369  HA  GLU A  24     -10.162  -4.079   0.082  1.00  1.37           H  
ATOM    370 1HB  GLU A  24     -11.376  -3.107   2.695  1.00  1.87           H  
ATOM    371 2HB  GLU A  24     -12.262  -3.170   1.179  1.00  1.87           H  
ATOM    372 1HG  GLU A  24     -11.026  -5.547   2.592  1.00  1.87           H  
ATOM    373 2HG  GLU A  24     -12.726  -5.088   2.654  1.00  1.87           H  
ATOM    374  N   TRP A  25      -9.498  -1.150   1.409  1.00  1.03           N  
ATOM    375  CA  TRP A  25      -9.282   0.253   1.110  1.00  1.24           C  
ATOM    376  C   TRP A  25      -8.265   0.448  -0.019  1.00  1.33           C  
ATOM    377  O   TRP A  25      -8.512   1.213  -0.957  1.00  1.59           O  
ATOM    378  CB  TRP A  25      -8.909   0.996   2.397  1.00  1.65           C  
ATOM    379  CG  TRP A  25      -8.475   2.393   2.193  1.00  1.65           C  
ATOM    380  CD1 TRP A  25      -9.250   3.469   1.907  1.00  1.65           C  
ATOM    381  CD2 TRP A  25      -7.132   2.890   2.340  1.00  1.65           C  
ATOM    382  NE1 TRP A  25      -8.475   4.595   1.823  1.00  1.65           N  
ATOM    383  CE2 TRP A  25      -7.172   4.255   2.089  1.00  1.65           C  
ATOM    384  CE3 TRP A  25      -5.929   2.296   2.665  1.00  1.65           C  
ATOM    385  CZ2 TRP A  25      -6.034   5.040   2.139  1.00  1.65           C  
ATOM    386  CZ3 TRP A  25      -4.791   3.071   2.729  1.00  1.65           C  
ATOM    387  CH2 TRP A  25      -4.837   4.408   2.466  1.00  1.65           C  
ATOM    388  H   TRP A  25      -9.283  -1.505   2.329  1.00  1.24           H  
ATOM    389  HA  TRP A  25     -10.228   0.668   0.769  1.00  1.49           H  
ATOM    390 1HB  TRP A  25      -9.770   1.004   3.062  1.00  1.98           H  
ATOM    391 2HB  TRP A  25      -8.115   0.455   2.908  1.00  1.98           H  
ATOM    392  HD1 TRP A  25     -10.326   3.439   1.752  1.00  1.98           H  
ATOM    393  HE1 TRP A  25      -8.807   5.524   1.610  1.00  1.98           H  
ATOM    394  HE3 TRP A  25      -5.890   1.244   2.869  1.00  1.98           H  
ATOM    395  HZ2 TRP A  25      -6.059   6.110   1.940  1.00  1.98           H  
ATOM    396  HZ3 TRP A  25      -3.855   2.588   2.991  1.00  1.98           H  
ATOM    397  HH2 TRP A  25      -3.920   4.993   2.518  1.00  1.98           H  
ATOM    398  N   LEU A  26      -7.133  -0.250   0.052  1.00  1.30           N  
ATOM    399  CA  LEU A  26      -6.107  -0.134  -0.977  1.00  1.62           C  
ATOM    400  C   LEU A  26      -6.540  -0.760  -2.307  1.00  1.71           C  
ATOM    401  O   LEU A  26      -6.448  -0.139  -3.371  1.00  1.95           O  
ATOM    402  CB  LEU A  26      -4.866  -0.888  -0.484  1.00  2.14           C  
ATOM    403  CG  LEU A  26      -4.144  -0.299   0.736  1.00  2.14           C  
ATOM    404  CD1 LEU A  26      -3.129  -1.292   1.268  1.00  2.14           C  
ATOM    405  CD2 LEU A  26      -3.485   0.980   0.346  1.00  2.14           C  
ATOM    406  H   LEU A  26      -6.970  -0.848   0.865  1.00  1.56           H  
ATOM    407  HA  LEU A  26      -5.904   0.918  -1.145  1.00  1.94           H  
ATOM    408 1HB  LEU A  26      -5.169  -1.902  -0.226  1.00  2.57           H  
ATOM    409 2HB  LEU A  26      -4.153  -0.943  -1.304  1.00  2.57           H  
ATOM    410  HG  LEU A  26      -4.849  -0.119   1.517  1.00  2.57           H  
ATOM    411 1HD1 LEU A  26      -2.632  -0.876   2.145  1.00  2.57           H  
ATOM    412 2HD1 LEU A  26      -3.642  -2.207   1.554  1.00  2.57           H  
ATOM    413 3HD1 LEU A  26      -2.398  -1.507   0.511  1.00  2.57           H  
ATOM    414 1HD2 LEU A  26      -2.966   1.397   1.197  1.00  2.57           H  
ATOM    415 2HD2 LEU A  26      -2.788   0.791  -0.445  1.00  2.57           H  
ATOM    416 3HD2 LEU A  26      -4.224   1.692   0.004  1.00  2.57           H  
ATOM    417  N   LYS A  27      -7.082  -1.969  -2.225  1.00  1.61           N  
ATOM    418  CA  LYS A  27      -7.531  -2.779  -3.351  1.00  1.88           C  
ATOM    419  C   LYS A  27      -8.555  -2.090  -4.226  1.00  1.92           C  
ATOM    420  O   LYS A  27      -8.492  -2.176  -5.450  1.00  2.23           O  
ATOM    421  CB  LYS A  27      -8.102  -4.102  -2.845  1.00  2.53           C  
ATOM    422  CG  LYS A  27      -8.658  -5.039  -3.909  1.00  2.53           C  
ATOM    423  CD  LYS A  27      -8.932  -6.442  -3.330  1.00  2.53           C  
ATOM    424  CE  LYS A  27      -9.947  -6.431  -2.160  1.00  2.53           C  
ATOM    425  NZ  LYS A  27     -10.336  -7.827  -1.722  1.00  2.53           N  
ATOM    426  H   LYS A  27      -7.153  -2.378  -1.301  1.00  1.93           H  
ATOM    427  HA  LYS A  27      -6.664  -3.002  -3.965  1.00  2.26           H  
ATOM    428 1HB  LYS A  27      -7.345  -4.634  -2.282  1.00  3.04           H  
ATOM    429 2HB  LYS A  27      -8.918  -3.871  -2.162  1.00  3.04           H  
ATOM    430 1HG  LYS A  27      -9.594  -4.629  -4.300  1.00  3.04           H  
ATOM    431 2HG  LYS A  27      -7.946  -5.115  -4.729  1.00  3.04           H  
ATOM    432 1HD  LYS A  27      -9.341  -7.079  -4.117  1.00  3.04           H  
ATOM    433 2HD  LYS A  27      -8.000  -6.893  -2.976  1.00  3.04           H  
ATOM    434 1HE  LYS A  27      -9.482  -5.946  -1.311  1.00  3.04           H  
ATOM    435 2HE  LYS A  27     -10.847  -5.877  -2.434  1.00  3.04           H  
ATOM    436 1HZ  LYS A  27     -10.971  -7.762  -0.909  1.00  3.04           H  
ATOM    437 2HZ  LYS A  27     -10.777  -8.357  -2.473  1.00  3.04           H  
ATOM    438 3HZ  LYS A  27      -9.508  -8.382  -1.477  1.00  3.04           H  
ATOM    439  N   ASN A  28      -9.493  -1.382  -3.605  1.00  1.68           N  
ATOM    440  CA  ASN A  28     -10.551  -0.738  -4.356  1.00  1.84           C  
ATOM    441  C   ASN A  28     -10.253   0.712  -4.751  1.00  1.94           C  
ATOM    442  O   ASN A  28     -11.149   1.422  -5.214  1.00  2.18           O  
ATOM    443  CB  ASN A  28     -11.836  -0.835  -3.565  1.00  2.52           C  
ATOM    444  CG  ASN A  28     -12.324  -2.270  -3.474  1.00  2.52           C  
ATOM    445  OD1 ASN A  28     -12.217  -3.053  -4.431  1.00  2.52           O  
ATOM    446  ND2 ASN A  28     -12.851  -2.628  -2.332  1.00  2.52           N  
ATOM    447  H   ASN A  28      -9.530  -1.372  -2.582  1.00  2.02           H  
ATOM    448  HA  ASN A  28     -10.686  -1.291  -5.284  1.00  2.21           H  
ATOM    449 1HB  ASN A  28     -11.669  -0.451  -2.557  1.00  3.02           H  
ATOM    450 2HB  ASN A  28     -12.605  -0.223  -4.031  1.00  3.02           H  
ATOM    451 1HD2 ASN A  28     -13.185  -3.568  -2.199  1.00  3.02           H  
ATOM    452 2HD2 ASN A  28     -12.917  -1.971  -1.579  1.00  3.02           H  
ATOM    453  N   GLY A  29      -9.011   1.168  -4.568  1.00  1.94           N  
ATOM    454  CA  GLY A  29      -8.650   2.518  -4.971  1.00  2.23           C  
ATOM    455  C   GLY A  29      -8.216   2.451  -6.429  1.00  1.85           C  
ATOM    456  O   GLY A  29      -8.434   1.439  -7.092  1.00  2.18           O  
ATOM    457  H   GLY A  29      -8.286   0.567  -4.164  1.00  2.33           H  
ATOM    458 1HA  GLY A  29      -9.497   3.192  -4.847  1.00  2.68           H  
ATOM    459 2HA  GLY A  29      -7.827   2.875  -4.350  1.00  2.68           H  
ATOM    460  N   GLY A  30      -7.628   3.519  -6.969  1.00  1.86           N  
ATOM    461  CA  GLY A  30      -7.192   3.416  -8.357  1.00  2.23           C  
ATOM    462  C   GLY A  30      -5.880   2.628  -8.326  1.00  2.23           C  
ATOM    463  O   GLY A  30      -4.961   3.055  -7.624  1.00  2.16           O  
ATOM    464  H   GLY A  30      -7.480   4.360  -6.431  1.00  2.23           H  
ATOM    465 1HA  GLY A  30      -7.963   2.938  -8.949  1.00  2.68           H  
ATOM    466 2HA  GLY A  30      -7.022   4.408  -8.772  1.00  2.68           H  
ATOM    467  N   PRO A  31      -5.756   1.492  -9.037  1.00  2.79           N  
ATOM    468  CA  PRO A  31      -4.587   0.630  -9.063  1.00  3.16           C  
ATOM    469  C   PRO A  31      -3.454   1.130  -9.930  1.00  3.23           C  
ATOM    470  O   PRO A  31      -3.678   1.847 -10.908  1.00  3.57           O  
ATOM    471  CB  PRO A  31      -5.151  -0.667  -9.644  1.00  4.75           C  
ATOM    472  CG  PRO A  31      -6.255  -0.207 -10.574  1.00  4.75           C  
ATOM    473  CD  PRO A  31      -6.862   1.014  -9.899  1.00  4.75           C  
ATOM    474  HA  PRO A  31      -4.225   0.490  -8.038  1.00  3.79           H  
ATOM    475 1HB  PRO A  31      -4.346  -1.209 -10.174  1.00  5.70           H  
ATOM    476 2HB  PRO A  31      -5.504  -1.327  -8.838  1.00  5.70           H  
ATOM    477 1HG  PRO A  31      -5.828   0.027 -11.563  1.00  5.70           H  
ATOM    478 2HG  PRO A  31      -6.986  -1.017 -10.727  1.00  5.70           H  
ATOM    479 1HD  PRO A  31      -7.110   1.760 -10.670  1.00  5.70           H  
ATOM    480 2HD  PRO A  31      -7.733   0.701  -9.305  1.00  5.70           H  
ATOM    481  N   SER A  32      -2.264   0.652  -9.609  1.00  3.48           N  
ATOM    482  CA  SER A  32      -1.073   0.786 -10.428  1.00  4.00           C  
ATOM    483  C   SER A  32      -1.177  -0.060 -11.676  1.00  3.86           C  
ATOM    484  O   SER A  32      -1.727  -1.163 -11.644  1.00  4.26           O  
ATOM    485  CB  SER A  32       0.168   0.372  -9.682  1.00  5.39           C  
ATOM    486  OG  SER A  32       1.286   0.363 -10.542  1.00  5.39           O  
ATOM    487  H   SER A  32      -2.184   0.122  -8.735  1.00  4.18           H  
ATOM    488  HA  SER A  32      -0.973   1.832 -10.726  1.00  4.80           H  
ATOM    489 1HB  SER A  32       0.342   1.058  -8.851  1.00  6.47           H  
ATOM    490 2HB  SER A  32       0.019  -0.624  -9.270  1.00  6.47           H  
ATOM    491  HG  SER A  32       2.051   0.248  -9.964  1.00  6.47           H  
ATOM    492  N   SER A  33      -0.582   0.395 -12.768  1.00  3.75           N  
ATOM    493  CA  SER A  33      -0.559  -0.389 -14.000  1.00  3.98           C  
ATOM    494  C   SER A  33       0.169  -1.728 -13.818  1.00  3.89           C  
ATOM    495  O   SER A  33      -0.017  -2.658 -14.604  1.00  4.48           O  
ATOM    496  CB  SER A  33       0.110   0.408 -15.100  1.00  5.47           C  
ATOM    497  OG  SER A  33       1.465   0.620 -14.802  1.00  5.47           O  
ATOM    498  H   SER A  33      -0.130   1.299 -12.750  1.00  4.50           H  
ATOM    499  HA  SER A  33      -1.589  -0.596 -14.291  1.00  4.78           H  
ATOM    500 1HB  SER A  33       0.022  -0.130 -16.042  1.00  6.56           H  
ATOM    501 2HB  SER A  33      -0.394   1.365 -15.218  1.00  6.56           H  
ATOM    502  HG  SER A  33       1.838   1.064 -15.571  1.00  6.56           H  
ATOM    503  N   GLY A  34       1.012  -1.815 -12.780  1.00  3.56           N  
ATOM    504  CA  GLY A  34       1.753  -3.026 -12.447  1.00  3.86           C  
ATOM    505  C   GLY A  34       1.070  -3.854 -11.346  1.00  3.70           C  
ATOM    506  O   GLY A  34       1.663  -4.805 -10.826  1.00  4.13           O  
ATOM    507  H   GLY A  34       1.118  -0.994 -12.189  1.00  4.27           H  
ATOM    508 1HA  GLY A  34       1.866  -3.635 -13.343  1.00  4.63           H  
ATOM    509 2HA  GLY A  34       2.755  -2.749 -12.124  1.00  4.63           H  
ATOM    510  N   ALA A  35      -0.137  -3.454 -10.935  1.00  3.45           N  
ATOM    511  CA  ALA A  35      -0.861  -4.114  -9.853  1.00  3.49           C  
ATOM    512  C   ALA A  35      -1.281  -5.550 -10.230  1.00  3.23           C  
ATOM    513  O   ALA A  35      -1.603  -5.806 -11.392  1.00  3.16           O  
ATOM    514  CB  ALA A  35      -2.110  -3.324  -9.491  1.00  4.88           C  
ATOM    515  H   ALA A  35      -0.592  -2.664 -11.396  1.00  4.14           H  
ATOM    516  HA  ALA A  35      -0.217  -4.110  -8.992  1.00  4.19           H  
ATOM    517 1HB  ALA A  35      -2.617  -3.805  -8.671  1.00  5.86           H  
ATOM    518 2HB  ALA A  35      -1.838  -2.315  -9.205  1.00  5.86           H  
ATOM    519 3HB  ALA A  35      -2.772  -3.287 -10.353  1.00  5.86           H  
ATOM    520  N   PRO A  36      -1.298  -6.491  -9.267  1.00  3.55           N  
ATOM    521  CA  PRO A  36      -1.847  -7.835  -9.335  1.00  3.67           C  
ATOM    522  C   PRO A  36      -3.347  -7.764  -9.597  1.00  3.38           C  
ATOM    523  O   PRO A  36      -3.907  -6.672  -9.577  1.00  3.35           O  
ATOM    524  CB  PRO A  36      -1.573  -8.400  -7.936  1.00  5.51           C  
ATOM    525  CG  PRO A  36      -0.413  -7.610  -7.420  1.00  5.51           C  
ATOM    526  CD  PRO A  36      -0.532  -6.257  -8.043  1.00  5.51           C  
ATOM    527  HA  PRO A  36      -1.293  -8.380 -10.110  1.00  4.40           H  
ATOM    528 1HB  PRO A  36      -2.480  -8.307  -7.313  1.00  6.61           H  
ATOM    529 2HB  PRO A  36      -1.349  -9.473  -8.002  1.00  6.61           H  
ATOM    530 1HG  PRO A  36      -0.447  -7.560  -6.323  1.00  6.61           H  
ATOM    531 2HG  PRO A  36       0.541  -8.096  -7.677  1.00  6.61           H  
ATOM    532 1HD  PRO A  36      -0.978  -5.514  -7.387  1.00  6.61           H  
ATOM    533 2HD  PRO A  36       0.481  -6.021  -8.311  1.00  6.61           H  
ATOM    534  N   PRO A  37      -3.984  -8.838 -10.072  1.00  3.70           N  
ATOM    535  CA  PRO A  37      -5.416  -8.917 -10.208  1.00  3.98           C  
ATOM    536  C   PRO A  37      -5.992  -8.726  -8.804  1.00  4.06           C  
ATOM    537  O   PRO A  37      -5.329  -9.116  -7.843  1.00  4.14           O  
ATOM    538  CB  PRO A  37      -5.633 -10.347 -10.708  1.00  5.97           C  
ATOM    539  CG  PRO A  37      -4.319 -10.733 -11.356  1.00  5.97           C  
ATOM    540  CD  PRO A  37      -3.254 -10.030 -10.533  1.00  5.97           C  
ATOM    541  HA  PRO A  37      -5.737  -8.174 -10.943  1.00  4.78           H  
ATOM    542 1HB  PRO A  37      -5.908 -11.005  -9.863  1.00  7.16           H  
ATOM    543 2HB  PRO A  37      -6.477 -10.371 -11.412  1.00  7.16           H  
ATOM    544 1HG  PRO A  37      -4.203 -11.829 -11.348  1.00  7.16           H  
ATOM    545 2HG  PRO A  37      -4.308 -10.422 -12.410  1.00  7.16           H  
ATOM    546 1HD  PRO A  37      -2.934 -10.647  -9.681  1.00  7.16           H  
ATOM    547 2HD  PRO A  37      -2.435  -9.780 -11.212  1.00  7.16           H  
ATOM    548  N   PRO A  38      -7.189  -8.148  -8.635  1.00  4.45           N  
ATOM    549  CA  PRO A  38      -7.861  -8.001  -7.358  1.00  4.89           C  
ATOM    550  C   PRO A  38      -8.107  -9.352  -6.718  1.00  5.14           C  
ATOM    551  O   PRO A  38      -8.359 -10.336  -7.415  1.00  5.33           O  
ATOM    552  CB  PRO A  38      -9.188  -7.334  -7.749  1.00  7.34           C  
ATOM    553  CG  PRO A  38      -8.904  -6.640  -9.058  1.00  7.34           C  
ATOM    554  CD  PRO A  38      -7.895  -7.526  -9.766  1.00  7.34           C  
ATOM    555  HA  PRO A  38      -7.273  -7.368  -6.686  1.00  5.87           H  
ATOM    556 1HB  PRO A  38      -9.980  -8.098  -7.826  1.00  8.81           H  
ATOM    557 2HB  PRO A  38      -9.499  -6.634  -6.956  1.00  8.81           H  
ATOM    558 1HG  PRO A  38      -9.838  -6.529  -9.632  1.00  8.81           H  
ATOM    559 2HG  PRO A  38      -8.523  -5.625  -8.880  1.00  8.81           H  
ATOM    560 1HD  PRO A  38      -8.381  -8.287 -10.397  1.00  8.81           H  
ATOM    561 2HD  PRO A  38      -7.241  -6.851 -10.331  1.00  8.81           H  
ATOM    562  N   SER A  39      -8.111  -9.360  -5.396  1.00  5.47           N  
ATOM    563  CA  SER A  39      -8.391 -10.542  -4.597  1.00  5.97           C  
ATOM    564  C   SER A  39      -9.196 -10.110  -3.370  1.00  6.52           C  
ATOM    565  O   SER A  39     -10.350  -9.704  -3.536  1.00  7.03           O  
ATOM    566  OXT SER A  39      -8.582  -9.675  -2.390  1.00  8.96           O  
ATOM    567  CB  SER A  39      -7.101 -11.227  -4.181  1.00  7.76           C  
ATOM    568  OG  SER A  39      -7.355 -12.359  -3.383  1.00  7.76           O  
ATOM    569  H   SER A  39      -7.874  -8.503  -4.924  1.00  6.56           H  
ATOM    570  HA  SER A  39      -8.992 -11.239  -5.183  1.00  7.16           H  
ATOM    571 1HB  SER A  39      -6.545 -11.523  -5.072  1.00  9.31           H  
ATOM    572 2HB  SER A  39      -6.483 -10.527  -3.633  1.00  9.31           H  
ATOM    573  HG  SER A  39      -6.496 -12.689  -3.120  1.00  9.31           H  
TER                                                                             
# All scores below are weighted scores, not raw scores.
#BEGIN_POSE_ENERGIES_TABLE best_scoring0001_0001.pdb
label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro cart_bonded total
weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 0.5 NA
pose -184.13 22.5485 150.111 -11.0325 3.17123 8.28208 70.7316 -77.5267 -0.34621 -2.75633 -66.8844 -11.5082 -21.1826 -1.22678 -9.23342 -3.5006 0 -0.12818 3.51789 16.7537 35.2492 -10.4578 8.06013 -22.1967 -6.34878 24.9294 -85.1047
HIS:NtermProteinFull_1 -6.43035 0.96093 6.92547 -0.38887 0.00231 0.2012 3.08429 -3.26719 -0.03204 -0.16518 -3.55666 -0.85751 0 0 -0.48823 -0.38977 0 0.214 0.0001 0 3.20416 0 0 -0.45461 0 0.51173 -0.92622
GLY_2 -1.46234 0.30723 1.89595 -4e-05 0 0 0.88728 -0.91279 -0.01264 -0.12908 -0.82804 -0.38866 0 0 -0.48823 0 0 -0.11007 0 0 0 0.44255 0 0.83697 0.13371 0.67108 0.84286
GLU_3 -2.80204 0.34377 2.31279 -0.24583 0.05786 0.4076 0.83598 -1.23388 -0.01848 -0.11551 0.16389 -0.59411 0 0 0 0 0 -0.0712 0.01344 0 2.91522 -0.06263 0 -2.7348 -0.13621 0.31835 -0.6458
GLY_4 -2.34398 0.18289 2.09522 -5e-05 0 0 0.92707 -1.25566 -0.00322 -0.0277 -0.58016 -0.41668 0 0 0 0 0 -0.17223 0 0 0 -1.3847 0 0.83697 -0.78717 0.20016 -2.72923
THR_5 -6.13164 0.53154 4.69936 -0.17785 0.09022 0.06361 2.63193 -2.77451 -0.01897 -0.15937 -3.07529 -0.99312 0 0 -0.3891 0 0 -0.06968 3e-05 0.41213 0 -0.57899 2.45835 -1.0874 -0.11569 0.34276 -4.34168
PHE_6 -10.7779 1.60098 2.23745 -0.67861 0.23271 0.21033 1.99698 -2.44005 -0 -0 -3.30681 -0.01619 0 0 0 0 0 0.04025 0.02258 0 3.97963 0.00827 0 1.0402 0.61913 0.89578 -4.33521
THR_7 -6.90582 0.72968 5.53429 -0.10979 0.0651 0.06935 2.8335 -2.98751 -0.02921 -0.27216 -2.43086 -0.92038 0 0 -0.40263 -0.38977 0 -0.01536 0.13197 0.23529 0 -0.61584 2.50492 -1.0874 0.34182 0.75252 -2.96829
SER_8 -3.02203 0.34425 3.05941 -0.0283 8e-05 0.04383 0.60366 -1.39583 -0.02092 -0.1818 0.58698 -0.9888 0 0 0 0 0 -0.11287 0.03553 0.16697 0 -0.22445 0.61775 -0.77834 -0.15059 0.27263 -1.17284
ASP_9 -5.48887 0.75112 7.37412 -0.11584 0.04579 0.36658 3.35767 -3.00983 -3e-05 -0.00014 -4.82414 -0.16994 0 0 -0.40263 -0.4644 0 -0.04074 0.0758 0 2.39259 -0.35883 0 -2.3716 -0.6139 0.59194 -2.90527
LEU_10 -9.9471 1.86898 3.52283 -0.65033 0.31851 0.27184 2.85297 -2.74736 -0 -0 -1.53065 -0.02683 0 0 0 0 0 -0.08739 0.28906 1.33045 0 -0.25212 0 0.18072 -0.50809 1.09397 -4.02054
SER_11 -3.55287 0.22626 3.74246 -0.02952 6e-05 0.04967 0.77516 -1.67846 -0.01476 -0.17984 0.27342 -0.96514 0 0 0 0 0 -0.016 0.02981 0.1626 0 -0.25241 0.60051 -0.77834 -0.5122 0.69965 -1.41995
LYS_12 -4.78368 0.50009 6.33244 -0.31219 0.05061 0.15267 3.22083 -2.65059 -0 -0 -4.15893 -0.09354 0 0 0 -0.4644 0 0.07022 0.52158 2.01412 0 -0.11544 0 -1.5107 -0.34434 0.41797 -1.15325
GLN_13 -8.09214 1.32453 5.32004 -0.53988 0.05001 0.53832 2.78205 -2.96029 -0.01356 -0.04967 -0.75731 -0.26485 0 0 0 0 0 0.03322 0.328 0 3.5488 -0.25216 0 -0.18838 -0.20196 0.73509 1.33984
MET_14 -7.92132 0.8408 4.47975 -0.22724 0.02176 0.09243 1.8112 -2.45575 -0 -0 -1.8731 -0.27461 0 0 -0.73092 0 0 -0.08017 0.18626 2.40411 0 -0.04219 0 0.60916 -0.35118 0.59222 -2.91879
GLU_15 -4.14264 0.2521 5.46982 -0.4429 0.1222 0.93915 2.14214 -2.38669 -0.01082 -0.12514 -1.28956 -0.38533 0 0 0 -0.27394 0 0.0278 0.02155 0 3.05897 -0.13923 0 -2.7348 -0.05798 0.31113 0.35582
GLU_16 -5.8706 0.44648 7.03847 -0.61449 0.08562 0.92624 3.38598 -3.11839 -0 -0 -3.87808 -1.32156 0 0 -1.13642 0 0 -0.06486 0.4202 0 3.44615 0.04585 0 -2.7348 0.00627 0.35383 -2.5841
GLU_17 -2.81093 0.16817 3.55473 -0.21644 0.02953 0.2982 0.95387 -1.54561 -0.02001 -0.15432 0.11168 -0.57179 0 0 0 0 0 -0.05138 0.01109 0 3.0654 -0.35599 0 -2.7348 -0.44065 0.31777 -0.39149
ALA_18 -2.2323 0.20241 2.061 -0.02802 0.00598 0 0.98284 -1.14685 -0 -0 -1.06236 -0.43274 0 0 -1.13642 0 0 -0.06596 0 0 0 -0.01194 0 1.8394 -0.62999 0.23033 -1.4246
VAL_19 -6.41801 0.97395 3.86568 -0.31929 0.38355 0.07507 2.89355 -2.46315 -0.00533 -0.01826 -2.5506 -0.58955 0 0 0 0 0 0.11613 0.00039 0.42215 0 -0.36615 0 1.9342 -0.08441 0.50873 -1.64137
ARG_20 -6.94871 0.77443 7.64855 -0.44904 0.07692 0.22497 3.29785 -3.39132 -0.03272 -0.2609 -3.54465 0.43914 0 0 -0.73092 -0.27394 0 -0.15271 0.41696 2.30919 0 -0.18173 0 -1.2888 0.6005 0.81109 -0.65584
LEU_21 -2.23185 0.23065 1.9363 -0.5014 0.18261 0.13071 0.80329 -1.01243 -0 -0 -0.17161 0.23719 0 0 0 0 0 -0.09084 0.01803 0.30152 0 -0.11583 0 0.18072 0.30392 0.60146 0.80242
PHE_22 -5.59087 0.48089 3.93409 -0.68335 0.07652 0.39466 2.56696 -2.22307 -0.00455 -0.03509 -3.00986 0.12063 0 0 0 0 0 -0.02229 0 0 2.02809 -0.19038 0 1.0402 -0.39221 0.43681 -1.07282
ILE_23 -8.67576 1.08818 3.95088 -0.69386 0.64746 0.16624 2.64546 -2.84705 -0.00821 -0.03339 -2.18119 0.19456 0 0 0 0 0 -0.05338 0.0301 0.57953 0 -0.38267 0 0.73287 -0.32615 0.9158 -4.2506
GLU_24 -4.11064 0.17191 5.79878 -0.42752 0.05039 0.83973 2.27196 -2.51064 -0.01372 -0.12916 -3.18964 -0.4596 0 0 0 -0.62218 0 0.0627 0.00464 0 3.44518 -0.29691 0 -2.7348 -0.3597 0.70119 -1.50802
TRP_25 -4.9847 0.46939 3.20227 -1.14622 0.06113 0.46856 1.20246 -1.92612 -0 -0 0.13647 -0.42548 0 0 0 0 0 0.01016 0.23788 0 2.14266 -0.25704 0 1.6906 -0.31952 0.30122 0.86373
LEU_26 -9.59576 0.96135 5.20201 -0.49474 0.27649 0.10496 2.46765 -3.56214 -0 -0 -1.52309 0.28287 0 0 0 0 0 -0.02901 0.1066 0.68378 0 -0.1921 0 0.18072 0.03111 0.53724 -4.56207
LYS_27 -8.43178 0.85615 8.85606 -0.60354 0.17869 0.30294 4.09337 -3.84408 -0.01028 -0.05961 -7.37796 0.04348 0 0 -0.60608 -0.62218 0 -0.04326 0.36624 3.03457 0 -0.03246 0 -1.5107 -0.16445 0.69692 -4.87796
ASN_28 -3.01983 0.12045 3.78306 -0.19961 0.04526 0.31676 1.38067 -1.72691 -0.00288 -0.01514 -1.80344 -0.44612 0 0 0 0 0 -0.01731 0.01642 0 2.02239 -0.53055 0 -0.93687 -0.55908 0.54139 -1.03133
GLY_29 -2.03527 0.18507 2.74553 -0.00037 0 0 1.26517 -1.26047 -0.00572 -0.02452 -0.80454 -0.15491 0 0 0 0 0 -0.01907 0 0 0 -0.8949 0 0.83697 -0.36734 0.3948 -0.13956
GLY_30 -1.26505 0.25636 1.80506 -0.00035 0 0 0.54616 -0.80037 -0 -0 -0.74558 -0.32652 0 0 -0.3891 0 0 -0.0404 0 0 0 1.23996 0 0.83697 1.29681 1.02196 3.4359
PRO_31 -2.9364 0.46516 1.28634 -0.20006 0.00624 0.14362 0.61239 -0.71689 -0 -0 -0.58792 0.02313 0 0 0 0 0 0.28536 0.01716 0.28493 0 -0.6735 0 -2.4119 1.2143 1.07547 -2.11258
SER_32 -3.97908 0.47384 4.4347 -0.02954 0 0.04931 2.50367 -2.17817 -0.04244 -0.36807 -2.24044 -1.00581 0 0 -0.86332 0 0 -0.01302 0.04264 1.33896 0 -0.06611 0.65776 -0.77834 -0.31791 0.42185 -1.95953
SER_33 -1.04718 0.06685 1.34555 -0.02911 8e-05 0.04716 0.51063 -0.67569 -0.00984 -0.10977 0.55181 -1.00076 0 0 0 0 0 -0.03556 0.01135 0.16483 0 -0.21578 0.61233 -0.77834 -0.56147 0.16944 -0.98349
GLY_34 -2.11212 0.32012 2.13648 -7e-05 0 0 0.85591 -1.08264 -0 -0 -0.42187 -0.37678 0 0 -0.86332 0 0 -0.10162 0 0 0 0.39534 0 0.83697 -0.29129 0.11436 -0.59051
ALA_35 -4.60266 0.667 1.8606 -0.02452 0 0 1.30436 -1.81222 -0.01483 -0.11994 -0.80483 -0.18027 0 0 0 0 0 0.46378 0 0 0 -0.10653 0 1.8394 -0.36405 0.7839 -1.11081
PRO_36 -4.71672 1.04069 2.60522 -0.11318 0 0.08683 1.0259 -1.11818 -0 -0 0.21968 0.34528 0 0 0 0 0 0.15735 0.12632 0.26073 0 -1.18048 0 -2.4119 -0.56592 1.82239 -2.41598
PRO_37 -2.05433 0.56473 1.37341 -0.14367 0.00069 0.10487 0.3836 -0.61168 -0 -0 -0.29839 0.15994 0 0 0 0 0 0.0066 0.0141 0.18317 0 -1.12231 0 -2.4119 -0.3946 2.0557 -2.19006
PRO_38 -2.41821 0.39337 0.7327 -0.12645 0.00108 0.0928 0.17835 -0.34176 -0 -0 -0.15576 0.2328 0 0 0 0 0 -0.03933 0.01974 0.17686 0 -1.13743 0 -2.4119 -0.60447 1.16407 -4.24355
SER:CtermProteinFull_39 -2.23686 0.40574 3.95209 -0.04039 0.00576 0.10189 1.85685 -1.45446 -0.00101 -0.02258 -4.36502 1.06036 0 0 -0.60608 0 0 0 0.00234 0.28782 0 0 0.6085 -0.77834 -0.37386 0.54474 -1.0525
#END_POSE_ENERGIES_TABLE best_scoring0001_0001.pdb

ENDMDL

REMARK ID 702933 DOMAINID 692955 MODEL 2 exendin-4
MODEL     2
REMARK    Rerank model01.pdb to model02.pdb score: 19.400
REMARK    CLUSTER 0001 t000_.out.valid.rescored.best_scoring.binary cluster_size: 20 cluster_threshold: 3.961960
REMARK    SCORE         p_aa_pp:          -9.617
REMARK    SCORE angle_constraint:           0.000
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE atom_pair_constraint:         -68.289
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE     description: cluster0001_0001
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE        hbond_sc:          -2.327
REMARK    SCORE     total_score:        -137.962
REMARK    SCORE     hbond_bb_sc:          -6.336
REMARK    SCORE dihedral_constraint:           0.000
REMARK    SCORE          fa_sol:         136.016
REMARK    SCORE     hbond_lr_bb:          -1.305
REMARK    SCORE fa_intra_sol_xover4:           8.051
REMARK    SCORE     hbond_sr_bb:         -22.457
REMARK    SCORE     rama_prepro:          -6.133
REMARK    SCORE          fa_rep:          21.322
REMARK    SCORE             ref:          -3.176
REMARK    SCORE    fa_intra_rep:           0.294
REMARK    SCORE     lk_ball_wtd:          -7.177
REMARK    SCORE           omega:          -0.534
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE           score:        -137.962
REMARK    SCORE            time:           0.000
REMARK    SCORE          fa_atr:        -184.058
REMARK    SCORE     cart_bonded:          22.005
REMARK    SCORE coordinate_constraint:           0.000
REMARK    SCORE          fa_dun:          44.945
REMARK    SCORE         fa_elec:         -59.187
ATOM      1  N   HIS A   1      -0.325   0.188   0.473  1.00  2.890          N  
ATOM      2  CA  HIS A   1       1.123   0.369   0.467  1.00  2.280          C  
ATOM      3  C   HIS A   1       1.516   1.845   0.350  1.00  2.270          C  
ATOM      4  O   HIS A   1       0.790   2.657  -0.230  1.00  2.390          O  
ATOM      5  CB  HIS A   1       1.741  -0.414  -0.677  1.00  3.440          C  
ATOM      6  CG  HIS A   1       3.231  -0.452  -0.682  1.00  3.440          C  
ATOM      7  ND1 HIS A   1       3.999   0.604  -1.132  1.00  3.440          N  
ATOM      8  CD2 HIS A   1       4.100  -1.421  -0.309  1.00  3.440          C  
ATOM      9  CE1 HIS A   1       5.285   0.278  -1.028  1.00  3.440          C  
ATOM     10  NE2 HIS A   1       5.364  -0.943  -0.531  1.00  3.440          N  
ATOM     11 1H   HIS A   1      -0.563  -0.629   1.027  1.00  3.470          H  
ATOM     12 2H   HIS A   1      -0.795   0.996   0.849  1.00  3.470          H  
ATOM     13 3H   HIS A   1      -0.625   0.034  -0.489  1.00  3.470          H  
ATOM     14  HA  HIS A   1       1.536  -0.015   1.398  1.00  2.740          H  
ATOM     15 1HB  HIS A   1       1.350  -1.437  -0.681  1.00  4.120          H  
ATOM     16 2HB  HIS A   1       1.429   0.056  -1.582  1.00  4.120          H  
ATOM     17  HD2 HIS A   1       3.845  -2.400   0.091  1.00  4.120          H  
ATOM     18  HE1 HIS A   1       6.135   0.900  -1.307  1.00  4.120          H  
ATOM     19  HE2 HIS A   1       6.219  -1.452  -0.346  1.00  4.120          H  
ATOM     20  N   GLY A   2       2.671   2.196   0.920  1.00  2.680          N  
ATOM     21  CA  GLY A   2       3.177   3.575   0.967  1.00  3.190          C  
ATOM     22  C   GLY A   2       3.268   4.302  -0.381  1.00  2.980          C  
ATOM     23  O   GLY A   2       3.045   5.512  -0.449  1.00  3.400          O  
ATOM     24  H   GLY A   2       3.228   1.483   1.374  1.00  3.220          H  
ATOM     25 1HA  GLY A   2       2.579   4.159   1.657  1.00  3.830          H  
ATOM     26 2HA  GLY A   2       4.176   3.546   1.402  1.00  3.830          H  
ATOM     27  N   GLU A   3       3.534   3.570  -1.462  1.00  2.790          N  
ATOM     28  CA  GLU A   3       3.666   4.161  -2.796  1.00  3.150          C  
ATOM     29  C   GLU A   3       2.345   4.327  -3.556  1.00  3.100          C  
ATOM     30  O   GLU A   3       2.351   4.674  -4.739  1.00  3.540          O  
ATOM     31  CB  GLU A   3       4.658   3.352  -3.644  1.00  4.270          C  
ATOM     32  CG  GLU A   3       6.104   3.416  -3.138  1.00  4.270          C  
ATOM     33  CD  GLU A   3       7.074   2.581  -3.946  1.00  4.270          C  
ATOM     34  OE1 GLU A   3       6.665   1.978  -4.910  1.00  4.270          O  
ATOM     35  OE2 GLU A   3       8.227   2.545  -3.588  1.00  4.270          O  
ATOM     36  H   GLU A   3       3.710   2.564  -1.356  1.00  3.350          H  
ATOM     37  HA  GLU A   3       4.090   5.158  -2.669  1.00  3.780          H  
ATOM     38 1HB  GLU A   3       4.354   2.307  -3.656  1.00  5.120          H  
ATOM     39 2HB  GLU A   3       4.641   3.711  -4.671  1.00  5.120          H  
ATOM     40 1HG  GLU A   3       6.430   4.454  -3.178  1.00  5.120          H  
ATOM     41 2HG  GLU A   3       6.130   3.108  -2.100  1.00  5.120          H  
ATOM     42  N   GLY A   4       1.214   4.024  -2.917  1.00  2.890          N  
ATOM     43  CA  GLY A   4      -0.091   4.139  -3.567  1.00  3.220          C  
ATOM     44  C   GLY A   4      -0.501   2.815  -4.196  1.00  2.840          C  
ATOM     45  O   GLY A   4      -1.608   2.666  -4.711  1.00  3.230          O  
ATOM     46  H   GLY A   4       1.242   3.724  -1.936  1.00  3.470          H  
ATOM     47 1HA  GLY A   4      -0.837   4.445  -2.830  1.00  3.860          H  
ATOM     48 2HA  GLY A   4      -0.061   4.921  -4.324  1.00  3.860          H  
ATOM     49  N   THR A   5       0.392   1.841  -4.112  1.00  2.380          N  
ATOM     50  CA  THR A   5       0.157   0.522  -4.671  1.00  2.310          C  
ATOM     51  C   THR A   5      -0.471  -0.437  -3.712  1.00  1.920          C  
ATOM     52  O   THR A   5      -0.841  -0.101  -2.580  1.00  2.000          O  
ATOM     53  CB  THR A   5       1.459  -0.112  -5.233  1.00  3.260          C  
ATOM     54  OG1 THR A   5       1.131  -1.324  -5.956  1.00  3.260          O  
ATOM     55  CG2 THR A   5       2.448  -0.440  -4.148  1.00  3.260          C  
ATOM     56  H   THR A   5       1.266   2.062  -3.662  1.00  2.860          H  
ATOM     57  HA  THR A   5      -0.550   0.622  -5.489  1.00  2.770          H  
ATOM     58  HB  THR A   5       1.929   0.593  -5.910  1.00  3.910          H  
ATOM     59  HG1 THR A   5       1.855  -1.527  -6.574  1.00  3.910          H  
ATOM     60 1HG2 THR A   5       3.346  -0.866  -4.596  1.00  3.910          H  
ATOM     61 2HG2 THR A   5       2.710   0.468  -3.618  1.00  3.910          H  
ATOM     62 3HG2 THR A   5       2.029  -1.161  -3.461  1.00  3.910          H  
ATOM     63  N   PHE A   6      -0.648  -1.636  -4.217  1.00  1.980          N  
ATOM     64  CA  PHE A   6      -1.297  -2.699  -3.499  1.00  2.040          C  
ATOM     65  C   PHE A   6      -0.617  -4.051  -3.563  1.00  2.150          C  
ATOM     66  O   PHE A   6      -1.145  -5.017  -3.022  1.00  2.560          O  
ATOM     67  CB  PHE A   6      -2.717  -2.812  -3.986  1.00  2.830          C  
ATOM     68  CG  PHE A   6      -2.816  -3.057  -5.443  1.00  2.830          C  
ATOM     69  CD1 PHE A   6      -2.713  -4.325  -5.975  1.00  2.830          C  
ATOM     70  CD2 PHE A   6      -3.057  -1.989  -6.295  1.00  2.830          C  
ATOM     71  CE1 PHE A   6      -2.837  -4.522  -7.329  1.00  2.830          C  
ATOM     72  CE2 PHE A   6      -3.188  -2.184  -7.627  1.00  2.830          C  
ATOM     73  CZ  PHE A   6      -3.077  -3.451  -8.157  1.00  2.830          C  
ATOM     74  H   PHE A   6      -0.300  -1.797  -5.160  1.00  2.380          H  
ATOM     75  HA  PHE A   6      -1.335  -2.403  -2.448  1.00  2.450          H  
ATOM     76 1HB  PHE A   6      -3.228  -3.611  -3.455  1.00  3.400          H  
ATOM     77 2HB  PHE A   6      -3.223  -1.891  -3.768  1.00  3.400          H  
ATOM     78  HD1 PHE A   6      -2.534  -5.175  -5.315  1.00  3.400          H  
ATOM     79  HD2 PHE A   6      -3.148  -0.976  -5.881  1.00  3.400          H  
ATOM     80  HE1 PHE A   6      -2.755  -5.529  -7.740  1.00  3.400          H  
ATOM     81  HE2 PHE A   6      -3.378  -1.339  -8.271  1.00  3.400          H  
ATOM     82  HZ  PHE A   6      -3.182  -3.604  -9.230  1.00  3.400          H  
ATOM     83  N   THR A   7       0.562  -4.149  -4.161  1.00  2.450          N  
ATOM     84  CA  THR A   7       1.228  -5.451  -4.276  1.00  2.920          C  
ATOM     85  C   THR A   7       1.290  -6.209  -2.938  1.00  2.840          C  
ATOM     86  O   THR A   7       1.084  -7.422  -2.887  1.00  3.020          O  
ATOM     87  CB  THR A   7       2.660  -5.293  -4.842  1.00  3.900          C  
ATOM     88  OG1 THR A   7       2.599  -4.703  -6.156  1.00  3.900          O  
ATOM     89  CG2 THR A   7       3.337  -6.663  -4.951  1.00  3.900          C  
ATOM     90  H   THR A   7       0.983  -3.336  -4.608  1.00  2.940          H  
ATOM     91  HA  THR A   7       0.656  -6.061  -4.975  1.00  3.500          H  
ATOM     92  HB  THR A   7       3.243  -4.646  -4.187  1.00  4.680          H  
ATOM     93  HG1 THR A   7       3.483  -4.434  -6.427  1.00  4.680          H  
ATOM     94 1HG2 THR A   7       4.337  -6.536  -5.359  1.00  4.680          H  
ATOM     95 2HG2 THR A   7       3.412  -7.133  -3.972  1.00  4.680          H  
ATOM     96 3HG2 THR A   7       2.753  -7.303  -5.612  1.00  4.680          H  
ATOM     97  N   SER A   8       1.589  -5.505  -1.851  1.00  3.110          N  
ATOM     98  CA  SER A   8       1.710  -6.126  -0.532  1.00  3.490          C  
ATOM     99  C   SER A   8       0.369  -6.259   0.210  1.00  3.170          C  
ATOM    100  O   SER A   8       0.312  -6.838   1.295  1.00  3.550          O  
ATOM    101  CB  SER A   8       2.655  -5.316   0.337  1.00  4.730          C  
ATOM    102  OG  SER A   8       3.957  -5.298  -0.192  1.00  4.730          O  
ATOM    103  H   SER A   8       1.752  -4.515  -1.948  1.00  3.730          H  
ATOM    104  HA  SER A   8       2.126  -7.126  -0.665  1.00  4.190          H  
ATOM    105 1HB  SER A   8       2.276  -4.297   0.423  1.00  5.680          H  
ATOM    106 2HB  SER A   8       2.675  -5.739   1.340  1.00  5.680          H  
ATOM    107  HG  SER A   8       4.495  -4.826   0.449  1.00  5.680          H  
ATOM    108  N   ASP A   9      -0.697  -5.684  -0.358  1.00  2.880          N  
ATOM    109  CA  ASP A   9      -2.037  -5.631   0.232  1.00  2.970          C  
ATOM    110  C   ASP A   9      -3.054  -6.555  -0.455  1.00  2.740          C  
ATOM    111  O   ASP A   9      -4.264  -6.442  -0.208  1.00  3.050          O  
ATOM    112  CB  ASP A   9      -2.561  -4.184   0.220  1.00  4.120          C  
ATOM    113  CG  ASP A   9      -1.775  -3.235   1.172  1.00  4.120          C  
ATOM    114  OD1 ASP A   9      -1.538  -3.633   2.295  1.00  4.120          O  
ATOM    115  OD2 ASP A   9      -1.444  -2.111   0.800  1.00  4.120          O  
ATOM    116  H   ASP A   9      -0.590  -5.287  -1.286  1.00  3.460          H  
ATOM    117  HA  ASP A   9      -1.951  -5.946   1.267  1.00  3.560          H  
ATOM    118 1HB  ASP A   9      -2.509  -3.793  -0.793  1.00  4.950          H  
ATOM    119 2HB  ASP A   9      -3.613  -4.174   0.514  1.00  4.950          H  
ATOM    120  N   LEU A  10      -2.568  -7.508  -1.252  1.00  2.620          N  
ATOM    121  CA  LEU A  10      -3.416  -8.401  -2.048  1.00  3.030          C  
ATOM    122  C   LEU A  10      -4.411  -9.236  -1.259  1.00  2.880          C  
ATOM    123  O   LEU A  10      -5.507  -9.522  -1.748  1.00  3.200          O  
ATOM    124  CB  LEU A  10      -2.541  -9.305  -2.922  1.00  4.080          C  
ATOM    125  CG  LEU A  10      -1.780  -8.601  -4.081  1.00  4.080          C  
ATOM    126  CD1 LEU A  10      -0.824  -9.591  -4.711  1.00  4.080          C  
ATOM    127  CD2 LEU A  10      -2.761  -8.072  -5.137  1.00  4.080          C  
ATOM    128  H   LEU A  10      -1.559  -7.559  -1.359  1.00  3.140          H  
ATOM    129  HA  LEU A  10      -3.997  -7.787  -2.700  1.00  3.640          H  
ATOM    130 1HB  LEU A  10      -1.804  -9.794  -2.289  1.00  4.890          H  
ATOM    131 2HB  LEU A  10      -3.165 -10.062  -3.372  1.00  4.890          H  
ATOM    132  HG  LEU A  10      -1.210  -7.770  -3.689  1.00  4.890          H  
ATOM    133 1HD1 LEU A  10      -0.275  -9.097  -5.511  1.00  4.890          H  
ATOM    134 2HD1 LEU A  10      -0.119  -9.941  -3.954  1.00  4.890          H  
ATOM    135 3HD1 LEU A  10      -1.380 -10.436  -5.113  1.00  4.890          H  
ATOM    136 1HD2 LEU A  10      -2.200  -7.593  -5.936  1.00  4.890          H  
ATOM    137 2HD2 LEU A  10      -3.344  -8.894  -5.549  1.00  4.890          H  
ATOM    138 3HD2 LEU A  10      -3.426  -7.349  -4.711  1.00  4.890          H  
ATOM    139  N   SER A  11      -4.123  -9.545   0.001  1.00  2.860          N  
ATOM    140  CA  SER A  11      -5.051 -10.337   0.802  1.00  3.260          C  
ATOM    141  C   SER A  11      -6.419  -9.647   0.916  1.00  2.880          C  
ATOM    142  O   SER A  11      -7.430 -10.301   1.192  1.00  3.040          O  
ATOM    143  CB  SER A  11      -4.484 -10.503   2.190  1.00  4.400          C  
ATOM    144  OG  SER A  11      -4.486  -9.265   2.837  1.00  4.400          O  
ATOM    145  H   SER A  11      -3.235  -9.291   0.413  1.00  3.430          H  
ATOM    146  HA  SER A  11      -5.181 -11.312   0.330  1.00  3.910          H  
ATOM    147 1HB  SER A  11      -5.077 -11.219   2.755  1.00  5.280          H  
ATOM    148 2HB  SER A  11      -3.467 -10.885   2.129  1.00  5.280          H  
ATOM    149  HG  SER A  11      -3.973  -9.358   3.665  1.00  5.280          H  
ATOM    150  N   LYS A  12      -6.455  -8.324   0.700  1.00  2.900          N  
ATOM    151  CA  LYS A  12      -7.683  -7.554   0.725  1.00  3.200          C  
ATOM    152  C   LYS A  12      -7.984  -7.021  -0.676  1.00  3.120          C  
ATOM    153  O   LYS A  12      -9.130  -7.049  -1.120  1.00  3.320          O  
ATOM    154  CB  LYS A  12      -7.587  -6.407   1.728  1.00  4.360          C  
ATOM    155  CG  LYS A  12      -7.501  -6.866   3.181  1.00  4.360          C  
ATOM    156  CD  LYS A  12      -7.412  -5.681   4.145  1.00  4.360          C  
ATOM    157  CE  LYS A  12      -7.314  -6.156   5.597  1.00  4.360          C  
ATOM    158  NZ  LYS A  12      -7.122  -5.025   6.537  1.00  4.360          N  
ATOM    159  H   LYS A  12      -5.580  -7.848   0.486  1.00  3.480          H  
ATOM    160  HA  LYS A  12      -8.503  -8.207   1.017  1.00  3.840          H  
ATOM    161 1HB  LYS A  12      -6.697  -5.810   1.510  1.00  5.230          H  
ATOM    162 2HB  LYS A  12      -8.453  -5.755   1.622  1.00  5.230          H  
ATOM    163 1HG  LYS A  12      -8.379  -7.467   3.422  1.00  5.230          H  
ATOM    164 2HG  LYS A  12      -6.614  -7.490   3.303  1.00  5.230          H  
ATOM    165 1HD  LYS A  12      -6.526  -5.081   3.909  1.00  5.230          H  
ATOM    166 2HD  LYS A  12      -8.291  -5.049   4.037  1.00  5.230          H  
ATOM    167 1HE  LYS A  12      -8.224  -6.689   5.866  1.00  5.230          H  
ATOM    168 2HE  LYS A  12      -6.473  -6.837   5.688  1.00  5.230          H  
ATOM    169 1HZ  LYS A  12      -7.046  -5.369   7.480  1.00  5.230          H  
ATOM    170 2HZ  LYS A  12      -6.246  -4.517   6.281  1.00  5.230          H  
ATOM    171 3HZ  LYS A  12      -7.903  -4.398   6.470  1.00  5.230          H  
ATOM    172  N   GLN A  13      -6.942  -6.598  -1.405  1.00  3.230          N  
ATOM    173  CA  GLN A  13      -7.118  -6.000  -2.730  1.00  3.740          C  
ATOM    174  C   GLN A  13      -7.791  -6.906  -3.717  1.00  3.400          C  
ATOM    175  O   GLN A  13      -8.483  -6.419  -4.592  1.00  3.830          O  
ATOM    176  CB  GLN A  13      -5.810  -5.508  -3.335  1.00  5.030          C  
ATOM    177  CG  GLN A  13      -5.963  -4.720  -4.645  1.00  5.030          C  
ATOM    178  CD  GLN A  13      -5.916  -5.527  -5.946  1.00  5.030          C  
ATOM    179  OE1 GLN A  13      -5.534  -6.698  -5.990  1.00  5.030          O  
ATOM    180  NE2 GLN A  13      -6.247  -4.860  -7.041  1.00  5.030          N  
ATOM    181  H   GLN A  13      -6.006  -6.623  -0.998  1.00  3.880          H  
ATOM    182  HA  GLN A  13      -7.745  -5.137  -2.617  1.00  4.490          H  
ATOM    183 1HB  GLN A  13      -5.265  -4.903  -2.610  1.00  6.040          H  
ATOM    184 2HB  GLN A  13      -5.215  -6.338  -3.580  1.00  6.040          H  
ATOM    185 1HG  GLN A  13      -6.954  -4.285  -4.619  1.00  6.040          H  
ATOM    186 2HG  GLN A  13      -5.247  -3.950  -4.686  1.00  6.040          H  
ATOM    187 1HE2 GLN A  13      -6.212  -5.313  -7.930  1.00  6.040          H  
ATOM    188 2HE2 GLN A  13      -6.519  -3.894  -6.981  1.00  6.040          H  
ATOM    189  N   MET A  14      -7.591  -8.211  -3.611  1.00  3.090          N  
ATOM    190  CA  MET A  14      -8.190  -9.133  -4.558  1.00  3.400          C  
ATOM    191  C   MET A  14      -9.739  -9.169  -4.574  1.00  2.740          C  
ATOM    192  O   MET A  14     -10.307  -9.676  -5.542  1.00  3.170          O  
ATOM    193  CB  MET A  14      -7.601 -10.517  -4.321  1.00  4.640          C  
ATOM    194  CG  MET A  14      -6.132 -10.631  -4.772  1.00  4.640          C  
ATOM    195  SD  MET A  14      -5.472 -12.310  -4.673  1.00  4.640          S  
ATOM    196  CE  MET A  14      -5.174 -12.506  -2.902  1.00  4.640          C  
ATOM    197  H   MET A  14      -6.967  -8.581  -2.884  1.00  3.710          H  
ATOM    198  HA  MET A  14      -7.877  -8.812  -5.551  1.00  4.080          H  
ATOM    199 1HB  MET A  14      -7.648 -10.742  -3.257  1.00  5.560          H  
ATOM    200 2HB  MET A  14      -8.189 -11.264  -4.850  1.00  5.560          H  
ATOM    201 1HG  MET A  14      -6.059 -10.296  -5.806  1.00  5.560          H  
ATOM    202 2HG  MET A  14      -5.511  -9.975  -4.178  1.00  5.560          H  
ATOM    203 1HE  MET A  14      -4.773 -13.500  -2.709  1.00  5.560          H  
ATOM    204 2HE  MET A  14      -4.464 -11.771  -2.567  1.00  5.560          H  
ATOM    205 3HE  MET A  14      -6.106 -12.380  -2.352  1.00  5.560          H  
ATOM    206  N   GLU A  15     -10.429  -8.721  -3.507  1.00  2.090          N  
ATOM    207  CA  GLU A  15     -11.910  -8.713  -3.511  1.00  2.000          C  
ATOM    208  C   GLU A  15     -12.361  -7.766  -4.615  1.00  1.450          C  
ATOM    209  O   GLU A  15     -11.781  -6.703  -4.755  1.00  1.510          O  
ATOM    210  CB  GLU A  15     -12.498  -8.282  -2.165  1.00  2.840          C  
ATOM    211  CG  GLU A  15     -14.034  -8.370  -2.115  1.00  2.840          C  
ATOM    212  CD  GLU A  15     -14.624  -8.046  -0.785  1.00  2.840          C  
ATOM    213  OE1 GLU A  15     -13.895  -7.729   0.112  1.00  2.840          O  
ATOM    214  OE2 GLU A  15     -15.818  -8.122  -0.669  1.00  2.840          O  
ATOM    215  H   GLU A  15      -9.927  -8.305  -2.713  1.00  2.510          H  
ATOM    216  HA  GLU A  15     -12.273  -9.714  -3.749  1.00  2.400          H  
ATOM    217 1HB  GLU A  15     -12.093  -8.909  -1.371  1.00  3.400          H  
ATOM    218 2HB  GLU A  15     -12.208  -7.257  -1.951  1.00  3.400          H  
ATOM    219 1HG  GLU A  15     -14.449  -7.672  -2.835  1.00  3.400          H  
ATOM    220 2HG  GLU A  15     -14.339  -9.373  -2.410  1.00  3.400          H  
ATOM    221  N   GLU A  16     -13.403  -8.075  -5.386  1.00  1.640          N  
ATOM    222  CA  GLU A  16     -13.737  -7.161  -6.486  1.00  1.820          C  
ATOM    223  C   GLU A  16     -13.919  -5.683  -6.092  1.00  1.760          C  
ATOM    224  O   GLU A  16     -13.451  -4.793  -6.814  1.00  1.930          O  
ATOM    225  CB  GLU A  16     -15.013  -7.644  -7.180  1.00  2.480          C  
ATOM    226  CG  GLU A  16     -14.868  -8.978  -7.922  1.00  2.480          C  
ATOM    227  CD  GLU A  16     -15.020 -10.189  -7.020  1.00  2.480          C  
ATOM    228  OE1 GLU A  16     -15.195 -10.005  -5.828  1.00  2.480          O  
ATOM    229  OE2 GLU A  16     -14.963 -11.285  -7.515  1.00  2.480          O  
ATOM    230  H   GLU A  16     -13.928  -8.947  -5.261  1.00  1.970          H  
ATOM    231  HA  GLU A  16     -12.921  -7.213  -7.205  1.00  2.180          H  
ATOM    232 1HB  GLU A  16     -15.811  -7.748  -6.444  1.00  2.970          H  
ATOM    233 2HB  GLU A  16     -15.335  -6.895  -7.902  1.00  2.970          H  
ATOM    234 1HG  GLU A  16     -15.619  -9.028  -8.708  1.00  2.970          H  
ATOM    235 2HG  GLU A  16     -13.885  -9.009  -8.393  1.00  2.970          H  
ATOM    236  N   GLU A  17     -14.562  -5.392  -4.955  1.00  1.850          N  
ATOM    237  CA  GLU A  17     -14.715  -3.983  -4.589  1.00  2.010          C  
ATOM    238  C   GLU A  17     -13.358  -3.366  -4.316  1.00  1.840          C  
ATOM    239  O   GLU A  17     -13.061  -2.248  -4.756  1.00  1.970          O  
ATOM    240  CB  GLU A  17     -15.618  -3.794  -3.377  1.00  2.750          C  
ATOM    241  CG  GLU A  17     -15.834  -2.320  -3.022  1.00  2.750          C  
ATOM    242  CD  GLU A  17     -16.782  -2.113  -1.897  1.00  2.750          C  
ATOM    243  OE1 GLU A  17     -17.276  -3.082  -1.383  1.00  2.750          O  
ATOM    244  OE2 GLU A  17     -17.025  -0.984  -1.549  1.00  2.750          O  
ATOM    245  H   GLU A  17     -14.932  -6.139  -4.381  1.00  2.220          H  
ATOM    246  HA  GLU A  17     -15.151  -3.453  -5.428  1.00  2.410          H  
ATOM    247 1HB  GLU A  17     -16.589  -4.246  -3.570  1.00  3.300          H  
ATOM    248 2HB  GLU A  17     -15.182  -4.296  -2.512  1.00  3.300          H  
ATOM    249 1HG  GLU A  17     -14.879  -1.879  -2.748  1.00  3.300          H  
ATOM    250 2HG  GLU A  17     -16.198  -1.795  -3.905  1.00  3.300          H  
ATOM    251  N   ALA A  18     -12.547  -4.098  -3.557  1.00  1.860          N  
ATOM    252  CA  ALA A  18     -11.208  -3.680  -3.204  1.00  2.160          C  
ATOM    253  C   ALA A  18     -10.340  -3.510  -4.445  1.00  1.990          C  
ATOM    254  O   ALA A  18      -9.539  -2.579  -4.508  1.00  2.160          O  
ATOM    255  CB  ALA A  18     -10.588  -4.675  -2.265  1.00  2.900          C  
ATOM    256  H   ALA A  18     -12.885  -4.990  -3.216  1.00  2.230          H  
ATOM    257  HA  ALA A  18     -11.280  -2.720  -2.701  1.00  2.590          H  
ATOM    258 1HB  ALA A  18      -9.623  -4.335  -1.977  1.00  3.480          H  
ATOM    259 2HB  ALA A  18     -11.204  -4.782  -1.379  1.00  3.480          H  
ATOM    260 3HB  ALA A  18     -10.506  -5.638  -2.769  1.00  3.480          H  
ATOM    261  N   VAL A  19     -10.530  -4.358  -5.461  1.00  1.810          N  
ATOM    262  CA  VAL A  19      -9.729  -4.238  -6.663  1.00  1.930          C  
ATOM    263  C   VAL A  19      -9.971  -2.898  -7.285  1.00  1.660          C  
ATOM    264  O   VAL A  19      -9.016  -2.206  -7.652  1.00  1.780          O  
ATOM    265  CB  VAL A  19     -10.063  -5.315  -7.741  1.00  2.650          C  
ATOM    266  CG1 VAL A  19      -9.347  -4.978  -9.077  1.00  2.650          C  
ATOM    267  CG2 VAL A  19      -9.608  -6.693  -7.282  1.00  2.650          C  
ATOM    268  H   VAL A  19     -11.174  -5.133  -5.331  1.00  2.170          H  
ATOM    269  HA  VAL A  19      -8.693  -4.326  -6.382  1.00  2.320          H  
ATOM    270  HB  VAL A  19     -11.135  -5.324  -7.915  1.00  3.180          H  
ATOM    271 1HG1 VAL A  19      -9.598  -5.739  -9.814  1.00  3.180          H  
ATOM    272 2HG1 VAL A  19      -9.662  -4.007  -9.457  1.00  3.180          H  
ATOM    273 3HG1 VAL A  19      -8.276  -4.967  -8.923  1.00  3.180          H  
ATOM    274 1HG2 VAL A  19      -9.853  -7.436  -8.033  1.00  3.180          H  
ATOM    275 2HG2 VAL A  19      -8.537  -6.690  -7.115  1.00  3.180          H  
ATOM    276 3HG2 VAL A  19     -10.101  -6.945  -6.375  1.00  3.180          H  
ATOM    277  N   ARG A  20     -11.242  -2.528  -7.413  1.00  1.490          N  
ATOM    278  CA  ARG A  20     -11.580  -1.254  -8.014  1.00  1.540          C  
ATOM    279  C   ARG A  20     -11.010  -0.084  -7.211  1.00  1.470          C  
ATOM    280  O   ARG A  20     -10.395   0.832  -7.772  1.00  1.650          O  
ATOM    281  CB  ARG A  20     -13.093  -1.112  -8.111  1.00  2.140          C  
ATOM    282  CG  ARG A  20     -13.759  -2.035  -9.132  1.00  2.140          C  
ATOM    283  CD  ARG A  20     -15.188  -1.657  -9.411  1.00  2.140          C  
ATOM    284  NE  ARG A  20     -16.066  -1.798  -8.226  1.00  2.140          N  
ATOM    285  CZ  ARG A  20     -16.724  -2.927  -7.848  1.00  2.140          C  
ATOM    286  NH1 ARG A  20     -16.607  -4.045  -8.535  1.00  2.140          N  
ATOM    287  NH2 ARG A  20     -17.501  -2.903  -6.771  1.00  2.140          N  
ATOM    288  H   ARG A  20     -11.969  -3.187  -7.107  1.00  1.790          H  
ATOM    289  HA  ARG A  20     -11.164  -1.230  -9.019  1.00  1.850          H  
ATOM    290 1HB  ARG A  20     -13.537  -1.330  -7.139  1.00  2.560          H  
ATOM    291 2HB  ARG A  20     -13.347  -0.084  -8.363  1.00  2.560          H  
ATOM    292 1HG  ARG A  20     -13.204  -1.996 -10.066  1.00  2.560          H  
ATOM    293 2HG  ARG A  20     -13.744  -3.055  -8.747  1.00  2.560          H  
ATOM    294 1HD  ARG A  20     -15.218  -0.615  -9.727  1.00  2.560          H  
ATOM    295 2HD  ARG A  20     -15.580  -2.278 -10.212  1.00  2.560          H  
ATOM    296  HE  ARG A  20     -16.204  -0.973  -7.659  1.00  2.560          H  
ATOM    297 1HH1 ARG A  20     -16.020  -4.082  -9.353  1.00  2.560          H  
ATOM    298 2HH1 ARG A  20     -17.116  -4.868  -8.246  1.00  2.560          H  
ATOM    299 1HH2 ARG A  20     -17.598  -2.050  -6.233  1.00  2.560          H  
ATOM    300 2HH2 ARG A  20     -17.997  -3.735  -6.484  1.00  2.560          H  
ATOM    301  N   LEU A  21     -11.147  -0.137  -5.887  1.00  1.460          N  
ATOM    302  CA  LEU A  21     -10.661   0.956  -5.067  1.00  1.650          C  
ATOM    303  C   LEU A  21      -9.138   1.094  -5.108  1.00  1.560          C  
ATOM    304  O   LEU A  21      -8.607   2.201  -5.249  1.00  1.670          O  
ATOM    305  CB  LEU A  21     -11.097   0.706  -3.622  1.00  2.230          C  
ATOM    306  CG  LEU A  21     -12.612   0.786  -3.325  1.00  2.230          C  
ATOM    307  CD1 LEU A  21     -12.862   0.248  -1.922  1.00  2.230          C  
ATOM    308  CD2 LEU A  21     -13.103   2.229  -3.435  1.00  2.230          C  
ATOM    309  H   LEU A  21     -11.656  -0.920  -5.462  1.00  1.750          H  
ATOM    310  HA  LEU A  21     -11.087   1.879  -5.443  1.00  1.980          H  
ATOM    311 1HB  LEU A  21     -10.747  -0.283  -3.325  1.00  2.680          H  
ATOM    312 2HB  LEU A  21     -10.617   1.437  -3.005  1.00  2.680          H  
ATOM    313  HG  LEU A  21     -13.160   0.165  -4.031  1.00  2.680          H  
ATOM    314 1HD1 LEU A  21     -13.934   0.284  -1.705  1.00  2.680          H  
ATOM    315 2HD1 LEU A  21     -12.521  -0.784  -1.864  1.00  2.680          H  
ATOM    316 3HD1 LEU A  21     -12.324   0.851  -1.195  1.00  2.680          H  
ATOM    317 1HD2 LEU A  21     -14.170   2.258  -3.211  1.00  2.680          H  
ATOM    318 2HD2 LEU A  21     -12.565   2.854  -2.722  1.00  2.680          H  
ATOM    319 3HD2 LEU A  21     -12.944   2.609  -4.438  1.00  2.680          H  
ATOM    320  N   PHE A  22      -8.426  -0.023  -5.025  1.00  1.590          N  
ATOM    321  CA  PHE A  22      -6.982   0.036  -5.025  1.00  1.840          C  
ATOM    322  C   PHE A  22      -6.404   0.384  -6.382  1.00  1.630          C  
ATOM    323  O   PHE A  22      -5.396   1.095  -6.441  1.00  1.670          O  
ATOM    324  CB  PHE A  22      -6.361  -1.259  -4.544  1.00  2.480          C  
ATOM    325  CG  PHE A  22      -6.277  -1.502  -3.019  1.00  2.480          C  
ATOM    326  CD1 PHE A  22      -7.134  -2.371  -2.370  1.00  2.480          C  
ATOM    327  CD2 PHE A  22      -5.288  -0.882  -2.253  1.00  2.480          C  
ATOM    328  CE1 PHE A  22      -7.008  -2.636  -1.020  1.00  2.480          C  
ATOM    329  CE2 PHE A  22      -5.168  -1.149  -0.902  1.00  2.480          C  
ATOM    330  CZ  PHE A  22      -6.021  -2.027  -0.293  1.00  2.480          C  
ATOM    331  H   PHE A  22      -8.893  -0.926  -4.920  1.00  1.910          H  
ATOM    332  HA  PHE A  22      -6.684   0.817  -4.326  1.00  2.210          H  
ATOM    333 1HB  PHE A  22      -6.949  -2.057  -4.973  1.00  2.970          H  
ATOM    334 2HB  PHE A  22      -5.379  -1.346  -4.948  1.00  2.970          H  
ATOM    335  HD1 PHE A  22      -7.899  -2.863  -2.931  1.00  2.970          H  
ATOM    336  HD2 PHE A  22      -4.589  -0.186  -2.726  1.00  2.970          H  
ATOM    337  HE1 PHE A  22      -7.687  -3.334  -0.530  1.00  2.970          H  
ATOM    338  HE2 PHE A  22      -4.386  -0.664  -0.306  1.00  2.970          H  
ATOM    339  HZ  PHE A  22      -5.914  -2.233   0.777  1.00  2.970          H  
ATOM    340  N   ILE A  23      -6.997  -0.098  -7.483  1.00  1.600          N  
ATOM    341  CA  ILE A  23      -6.390   0.232  -8.754  1.00  1.770          C  
ATOM    342  C   ILE A  23      -6.530   1.716  -9.044  1.00  1.470          C  
ATOM    343  O   ILE A  23      -5.600   2.299  -9.598  1.00  1.650          O  
ATOM    344  CB  ILE A  23      -6.930  -0.632  -9.931  1.00  2.410          C  
ATOM    345  CG1 ILE A  23      -6.012  -0.494 -11.208  1.00  2.410          C  
ATOM    346  CG2 ILE A  23      -8.359  -0.243 -10.319  1.00  2.410          C  
ATOM    347  CD1 ILE A  23      -4.581  -1.014 -11.072  1.00  2.410          C  
ATOM    348  H   ILE A  23      -7.815  -0.715  -7.438  1.00  1.920          H  
ATOM    349  HA  ILE A  23      -5.336   0.020  -8.659  1.00  2.120          H  
ATOM    350  HB  ILE A  23      -6.930  -1.676  -9.618  1.00  2.890          H  
ATOM    351 1HG1 ILE A  23      -6.488  -1.044 -12.016  1.00  2.890          H  
ATOM    352 2HG1 ILE A  23      -5.954   0.551 -11.489  1.00  2.890          H  
ATOM    353 1HG2 ILE A  23      -8.705  -0.895 -11.115  1.00  2.890          H  
ATOM    354 2HG2 ILE A  23      -8.998  -0.360  -9.465  1.00  2.890          H  
ATOM    355 3HG2 ILE A  23      -8.407   0.787 -10.667  1.00  2.890          H  
ATOM    356 1HD1 ILE A  23      -4.062  -0.880 -12.021  1.00  2.890          H  
ATOM    357 2HD1 ILE A  23      -4.049  -0.468 -10.313  1.00  2.890          H  
ATOM    358 3HD1 ILE A  23      -4.601  -2.071 -10.818  1.00  2.890          H  
ATOM    359  N   GLU A  24      -7.654   2.350  -8.670  1.00  1.220          N  
ATOM    360  CA  GLU A  24      -7.761   3.776  -8.946  1.00  1.290          C  
ATOM    361  C   GLU A  24      -6.733   4.568  -8.127  1.00  1.180          C  
ATOM    362  O   GLU A  24      -6.130   5.522  -8.636  1.00  1.390          O  
ATOM    363  CB  GLU A  24      -9.184   4.265  -8.694  1.00  1.780          C  
ATOM    364  CG  GLU A  24     -10.232   3.725  -9.708  1.00  1.780          C  
ATOM    365  CD  GLU A  24      -9.963   4.142 -11.151  1.00  1.780          C  
ATOM    366  OE1 GLU A  24      -9.589   5.263 -11.360  1.00  1.780          O  
ATOM    367  OE2 GLU A  24     -10.149   3.333 -12.048  1.00  1.780          O  
ATOM    368  H   GLU A  24      -8.441   1.838  -8.249  1.00  1.460          H  
ATOM    369  HA  GLU A  24      -7.539   3.935 -10.000  1.00  1.550          H  
ATOM    370 1HB  GLU A  24      -9.498   3.948  -7.695  1.00  2.130          H  
ATOM    371 2HB  GLU A  24      -9.208   5.353  -8.719  1.00  2.130          H  
ATOM    372 1HG  GLU A  24     -10.230   2.637  -9.657  1.00  2.130          H  
ATOM    373 2HG  GLU A  24     -11.219   4.071  -9.409  1.00  2.130          H  
ATOM    374  N   TRP A  25      -6.481   4.143  -6.881  1.00  1.090          N  
ATOM    375  CA  TRP A  25      -5.479   4.802  -6.053  1.00  1.290          C  
ATOM    376  C   TRP A  25      -4.084   4.649  -6.654  1.00  1.400          C  
ATOM    377  O   TRP A  25      -3.300   5.615  -6.654  1.00  1.570          O  
ATOM    378  CB  TRP A  25      -5.605   4.304  -4.615  1.00  1.730          C  
ATOM    379  CG  TRP A  25      -6.603   5.137  -3.876  1.00  1.730          C  
ATOM    380  CD1 TRP A  25      -7.950   4.958  -3.756  1.00  1.730          C  
ATOM    381  CD2 TRP A  25      -6.297   6.306  -3.110  1.00  1.730          C  
ATOM    382  NE1 TRP A  25      -8.491   5.952  -2.997  1.00  1.730          N  
ATOM    383  CE2 TRP A  25      -7.499   6.788  -2.599  1.00  1.730          C  
ATOM    384  CE3 TRP A  25      -5.122   6.970  -2.816  1.00  1.730          C  
ATOM    385  CZ2 TRP A  25      -7.557   7.919  -1.833  1.00  1.730          C  
ATOM    386  CZ3 TRP A  25      -5.187   8.103  -2.030  1.00  1.730          C  
ATOM    387  CH2 TRP A  25      -6.365   8.569  -1.569  1.00  1.730          C  
ATOM    388  H   TRP A  25      -7.042   3.381  -6.483  1.00  1.310          H  
ATOM    389  HA  TRP A  25      -5.714   5.865  -6.031  1.00  1.550          H  
ATOM    390 1HB  TRP A  25      -5.939   3.266  -4.612  1.00  2.070          H  
ATOM    391 2HB  TRP A  25      -4.641   4.352  -4.112  1.00  2.070          H  
ATOM    392  HD1 TRP A  25      -8.517   4.172  -4.195  1.00  2.070          H  
ATOM    393  HE1 TRP A  25      -9.472   6.052  -2.768  1.00  2.070          H  
ATOM    394  HE3 TRP A  25      -4.165   6.601  -3.191  1.00  2.070          H  
ATOM    395  HZ2 TRP A  25      -8.496   8.300  -1.435  1.00  2.070          H  
ATOM    396  HZ3 TRP A  25      -4.270   8.614  -1.788  1.00  2.070          H  
ATOM    397  HH2 TRP A  25      -6.372   9.467  -0.963  1.00  2.070          H  
ATOM    398  N   LEU A  26      -3.774   3.462  -7.200  1.00  1.510          N  
ATOM    399  CA  LEU A  26      -2.493   3.239  -7.863  1.00  1.880          C  
ATOM    400  C   LEU A  26      -2.346   4.082  -9.121  1.00  1.950          C  
ATOM    401  O   LEU A  26      -1.278   4.646  -9.368  1.00  2.180          O  
ATOM    402  CB  LEU A  26      -2.275   1.761  -8.209  1.00  2.480          C  
ATOM    403  CG  LEU A  26      -0.941   1.423  -8.999  1.00  2.480          C  
ATOM    404  CD1 LEU A  26       0.288   1.892  -8.222  1.00  2.480          C  
ATOM    405  CD2 LEU A  26      -0.865  -0.085  -9.211  1.00  2.480          C  
ATOM    406  H   LEU A  26      -4.435   2.681  -7.101  1.00  1.810          H  
ATOM    407  HA  LEU A  26      -1.718   3.535  -7.159  1.00  2.260          H  
ATOM    408 1HB  LEU A  26      -2.281   1.191  -7.281  1.00  2.980          H  
ATOM    409 2HB  LEU A  26      -3.120   1.430  -8.814  1.00  2.980          H  
ATOM    410  HG  LEU A  26      -0.950   1.927  -9.966  1.00  2.980          H  
ATOM    411 1HD1 LEU A  26       1.186   1.639  -8.783  1.00  2.980          H  
ATOM    412 2HD1 LEU A  26       0.265   2.969  -8.070  1.00  2.980          H  
ATOM    413 3HD1 LEU A  26       0.313   1.418  -7.301  1.00  2.980          H  
ATOM    414 1HD2 LEU A  26       0.044  -0.331  -9.763  1.00  2.980          H  
ATOM    415 2HD2 LEU A  26      -0.845  -0.587  -8.242  1.00  2.980          H  
ATOM    416 3HD2 LEU A  26      -1.727  -0.416  -9.778  1.00  2.980          H  
ATOM    417  N   LYS A  27      -3.404   4.166  -9.942  1.00  1.880          N  
ATOM    418  CA  LYS A  27      -3.332   4.965 -11.164  1.00  2.190          C  
ATOM    419  C   LYS A  27      -2.969   6.404 -10.830  1.00  2.190          C  
ATOM    420  O   LYS A  27      -2.150   7.022 -11.513  1.00  2.520          O  
ATOM    421  CB  LYS A  27      -4.674   4.979 -11.905  1.00  2.940          C  
ATOM    422  CG  LYS A  27      -5.096   3.688 -12.601  1.00  2.940          C  
ATOM    423  CD  LYS A  27      -6.496   3.874 -13.211  1.00  2.940          C  
ATOM    424  CE  LYS A  27      -7.037   2.619 -13.862  1.00  2.940          C  
ATOM    425  NZ  LYS A  27      -8.443   2.831 -14.362  1.00  2.940          N  
ATOM    426  H   LYS A  27      -4.255   3.642  -9.721  1.00  2.260          H  
ATOM    427  HA  LYS A  27      -2.558   4.553 -11.809  1.00  2.630          H  
ATOM    428 1HB  LYS A  27      -5.464   5.228 -11.192  1.00  3.530          H  
ATOM    429 2HB  LYS A  27      -4.659   5.771 -12.651  1.00  3.530          H  
ATOM    430 1HG  LYS A  27      -4.385   3.453 -13.392  1.00  3.530          H  
ATOM    431 2HG  LYS A  27      -5.108   2.871 -11.899  1.00  3.530          H  
ATOM    432 1HD  LYS A  27      -7.192   4.176 -12.425  1.00  3.530          H  
ATOM    433 2HD  LYS A  27      -6.463   4.666 -13.956  1.00  3.530          H  
ATOM    434 1HE  LYS A  27      -6.398   2.341 -14.697  1.00  3.530          H  
ATOM    435 2HE  LYS A  27      -7.047   1.811 -13.137  1.00  3.530          H  
ATOM    436 1HZ  LYS A  27      -8.788   1.987 -14.785  1.00  3.530          H  
ATOM    437 2HZ  LYS A  27      -9.060   3.084 -13.556  1.00  3.530          H  
ATOM    438 3HZ  LYS A  27      -8.461   3.576 -15.039  1.00  3.530          H  
ATOM    439  N   ASN A  28      -3.570   6.928  -9.759  1.00  1.920          N  
ATOM    440  CA  ASN A  28      -3.285   8.281  -9.319  1.00  2.100          C  
ATOM    441  C   ASN A  28      -1.970   8.385  -8.539  1.00  2.130          C  
ATOM    442  O   ASN A  28      -1.313   9.430  -8.574  1.00  2.400          O  
ATOM    443  CB  ASN A  28      -4.446   8.805  -8.506  1.00  2.870          C  
ATOM    444  CG  ASN A  28      -5.647   9.103  -9.362  1.00  2.870          C  
ATOM    445  OD1 ASN A  28      -5.530   9.421 -10.554  1.00  2.870          O  
ATOM    446  ND2 ASN A  28      -6.809   8.999  -8.781  1.00  2.870          N  
ATOM    447  H   ASN A  28      -4.287   6.376  -9.276  1.00  2.300          H  
ATOM    448  HA  ASN A  28      -3.178   8.907 -10.204  1.00  2.520          H  
ATOM    449 1HB  ASN A  28      -4.725   8.055  -7.759  1.00  3.440          H  
ATOM    450 2HB  ASN A  28      -4.146   9.707  -7.974  1.00  3.440          H  
ATOM    451 1HD2 ASN A  28      -7.645   9.176  -9.303  1.00  3.440          H  
ATOM    452 2HD2 ASN A  28      -6.871   8.731  -7.820  1.00  3.440          H  
ATOM    453  N   GLY A  29      -1.579   7.309  -7.838  1.00  2.040          N  
ATOM    454  CA  GLY A  29      -0.380   7.308  -7.011  1.00  2.270          C  
ATOM    455  C   GLY A  29      -0.653   8.091  -5.740  1.00  1.970          C  
ATOM    456  O   GLY A  29       0.217   8.795  -5.220  1.00  2.160          O  
ATOM    457  H   GLY A  29      -2.167   6.478  -7.823  1.00  2.450          H  
ATOM    458 1HA  GLY A  29      -0.110   6.279  -6.767  1.00  2.720          H  
ATOM    459 2HA  GLY A  29       0.451   7.749  -7.559  1.00  2.720          H  
ATOM    460  N   GLY A  30      -1.903   8.037  -5.289  1.00  1.820          N  
ATOM    461  CA  GLY A  30      -2.301   8.796  -4.121  1.00  1.980          C  
ATOM    462  C   GLY A  30      -1.649   8.239  -2.852  1.00  1.790          C  
ATOM    463  O   GLY A  30      -1.360   7.046  -2.775  1.00  2.010          O  
ATOM    464  H   GLY A  30      -2.548   7.392  -5.756  1.00  2.180          H  
ATOM    465 1HA  GLY A  30      -1.999   9.826  -4.287  1.00  2.380          H  
ATOM    466 2HA  GLY A  30      -3.381   8.794  -4.043  1.00  2.380          H  
ATOM    467  N   PRO A  31      -1.467   9.074  -1.812  1.00  2.120          N  
ATOM    468  CA  PRO A  31      -0.848   8.734  -0.539  1.00  2.450          C  
ATOM    469  C   PRO A  31      -1.614   7.687   0.255  1.00  2.500          C  
ATOM    470  O   PRO A  31      -2.853   7.728   0.328  1.00  2.550          O  
ATOM    471  CB  PRO A  31      -0.833  10.089   0.189  1.00  3.680          C  
ATOM    472  CG  PRO A  31      -1.932  10.910  -0.472  1.00  3.680          C  
ATOM    473  CD  PRO A  31      -1.939  10.469  -1.908  1.00  3.680          C  
ATOM    474  HA  PRO A  31       0.181   8.387  -0.729  1.00  2.940          H  
ATOM    475 1HB  PRO A  31      -1.009   9.942   1.264  1.00  4.410          H  
ATOM    476 2HB  PRO A  31       0.159  10.554   0.092  1.00  4.410          H  
ATOM    477 1HG  PRO A  31      -2.895  10.717   0.034  1.00  4.410          H  
ATOM    478 2HG  PRO A  31      -1.725  11.987  -0.357  1.00  4.410          H  
ATOM    479 1HD  PRO A  31      -2.964  10.530  -2.296  1.00  4.410          H  
ATOM    480 2HD  PRO A  31      -1.229  11.079  -2.493  1.00  4.410          H  
ATOM    481  N   SER A  32      -0.849   6.854   0.963  1.00  3.180          N  
ATOM    482  CA  SER A  32      -1.346   5.780   1.817  1.00  3.790          C  
ATOM    483  C   SER A  32      -2.298   6.197   2.933  1.00  3.660          C  
ATOM    484  O   SER A  32      -3.011   5.358   3.479  1.00  4.030          O  
ATOM    485  CB  SER A  32      -0.176   5.068   2.433  1.00  5.060          C  
ATOM    486  OG  SER A  32       0.531   5.923   3.295  1.00  5.060          O  
ATOM    487  H   SER A  32       0.159   6.925   0.869  1.00  3.820          H  
ATOM    488  HA  SER A  32      -1.857   5.071   1.174  1.00  4.550          H  
ATOM    489 1HB  SER A  32      -0.526   4.194   2.980  1.00  6.070          H  
ATOM    490 2HB  SER A  32       0.464   4.722   1.639  1.00  6.070          H  
ATOM    491  HG  SER A  32       1.203   5.377   3.717  1.00  6.070          H  
ATOM    492  N   SER A  33      -2.330   7.488   3.261  1.00  3.630          N  
ATOM    493  CA  SER A  33      -3.215   7.992   4.301  1.00  3.890          C  
ATOM    494  C   SER A  33      -4.668   8.071   3.835  1.00  3.730          C  
ATOM    495  O   SER A  33      -5.583   8.158   4.661  1.00  4.270          O  
ATOM    496  CB  SER A  33      -2.753   9.363   4.750  1.00  5.340          C  
ATOM    497  OG  SER A  33      -2.909  10.310   3.724  1.00  5.340          O  
ATOM    498  H   SER A  33      -1.714   8.126   2.782  1.00  4.360          H  
ATOM    499  HA  SER A  33      -3.166   7.311   5.150  1.00  4.670          H  
ATOM    500 1HB  SER A  33      -3.330   9.669   5.622  1.00  6.410          H  
ATOM    501 2HB  SER A  33      -1.707   9.315   5.049  1.00  6.410          H  
ATOM    502  HG  SER A  33      -2.680  11.161   4.113  1.00  6.410          H  
ATOM    503  N   GLY A  34      -4.885   8.061   2.513  1.00  3.550          N  
ATOM    504  CA  GLY A  34      -6.231   8.104   1.959  1.00  3.940          C  
ATOM    505  C   GLY A  34      -6.583   6.791   1.261  1.00  3.790          C  
ATOM    506  O   GLY A  34      -7.758   6.456   1.094  1.00  4.290          O  
ATOM    507  H   GLY A  34      -4.091   8.005   1.876  1.00  4.260          H  
ATOM    508 1HA  GLY A  34      -6.947   8.294   2.758  1.00  4.730          H  
ATOM    509 2HA  GLY A  34      -6.307   8.932   1.262  1.00  4.730          H  
ATOM    510  N   ALA A  35      -5.547   6.041   0.889  1.00  3.460          N  
ATOM    511  CA  ALA A  35      -5.679   4.777   0.183  1.00  3.570          C  
ATOM    512  C   ALA A  35      -6.468   3.774   1.032  1.00  3.360          C  
ATOM    513  O   ALA A  35      -6.463   3.878   2.260  1.00  3.140          O  
ATOM    514  CB  ALA A  35      -4.308   4.225  -0.159  1.00  4.950          C  
ATOM    515  H   ALA A  35      -4.610   6.423   1.014  1.00  4.150          H  
ATOM    516  HA  ALA A  35      -6.214   4.982  -0.724  1.00  4.280          H  
ATOM    517 1HB  ALA A  35      -4.388   3.301  -0.715  1.00  5.940          H  
ATOM    518 2HB  ALA A  35      -3.764   4.961  -0.758  1.00  5.940          H  
ATOM    519 3HB  ALA A  35      -3.779   4.036   0.765  1.00  5.940          H  
ATOM    520  N   PRO A  36      -7.164   2.787   0.430  1.00  3.790          N  
ATOM    521  CA  PRO A  36      -7.931   1.780   1.126  1.00  3.930          C  
ATOM    522  C   PRO A  36      -7.002   1.098   2.134  1.00  3.580          C  
ATOM    523  O   PRO A  36      -5.802   1.000   1.869  1.00  3.530          O  
ATOM    524  CB  PRO A  36      -8.370   0.848  -0.000  1.00  5.900          C  
ATOM    525  CG  PRO A  36      -8.380   1.712  -1.218  1.00  5.900          C  
ATOM    526  CD  PRO A  36      -7.221   2.651  -1.037  1.00  5.900          C  
ATOM    527  HA  PRO A  36      -8.785   2.288   1.578  1.00  4.720          H  
ATOM    528 1HB  PRO A  36      -7.688   0.032  -0.079  1.00  7.070          H  
ATOM    529 2HB  PRO A  36      -9.355   0.417   0.226  1.00  7.070          H  
ATOM    530 1HG  PRO A  36      -8.285   1.091  -2.123  1.00  7.070          H  
ATOM    531 2HG  PRO A  36      -9.331   2.251  -1.288  1.00  7.070          H  
ATOM    532 1HD  PRO A  36      -6.299   2.222  -1.447  1.00  7.070          H  
ATOM    533 2HD  PRO A  36      -7.508   3.568  -1.505  1.00  7.070          H  
ATOM    534  N   PRO A  37      -7.509   0.667   3.305  1.00  3.730          N  
ATOM    535  CA  PRO A  37      -6.749   0.083   4.395  1.00  3.850          C  
ATOM    536  C   PRO A  37      -5.838  -1.075   3.966  1.00  4.130          C  
ATOM    537  O   PRO A  37      -6.266  -1.921   3.182  1.00  4.390          O  
ATOM    538  CB  PRO A  37      -7.863  -0.445   5.311  1.00  5.780          C  
ATOM    539  CG  PRO A  37      -9.026   0.462   5.059  1.00  5.780          C  
ATOM    540  CD  PRO A  37      -8.966   0.767   3.585  1.00  5.780          C  
ATOM    541  HA  PRO A  37      -6.213   0.908   4.868  1.00  4.620          H  
ATOM    542 1HB  PRO A  37      -8.085  -1.494   5.068  1.00  6.930          H  
ATOM    543 2HB  PRO A  37      -7.534  -0.423   6.360  1.00  6.930          H  
ATOM    544 1HG  PRO A  37      -9.966  -0.032   5.351  1.00  6.930          H  
ATOM    545 2HG  PRO A  37      -8.938   1.368   5.677  1.00  6.930          H  
ATOM    546 1HD  PRO A  37      -9.537   0.040   2.988  1.00  6.930          H  
ATOM    547 2HD  PRO A  37      -9.342   1.787   3.494  1.00  6.930          H  
ATOM    548  N   PRO A  38      -4.629  -1.170   4.556  1.00  4.410          N  
ATOM    549  CA  PRO A  38      -3.585  -2.157   4.312  1.00  4.960          C  
ATOM    550  C   PRO A  38      -3.930  -3.525   4.868  1.00  5.200          C  
ATOM    551  O   PRO A  38      -4.805  -3.631   5.745  1.00  5.360          O  
ATOM    552  CB  PRO A  38      -2.386  -1.569   5.061  1.00  7.440          C  
ATOM    553  CG  PRO A  38      -2.995  -0.771   6.188  1.00  7.440          C  
ATOM    554  CD  PRO A  38      -4.260  -0.189   5.613  1.00  7.440          C  
ATOM    555  HA  PRO A  38      -3.387  -2.214   3.232  1.00  5.950          H  
ATOM    556 1HB  PRO A  38      -1.745  -2.398   5.419  1.00  8.930          H  
ATOM    557 2HB  PRO A  38      -1.777  -0.972   4.370  1.00  8.930          H  
ATOM    558 1HG  PRO A  38      -3.192  -1.436   7.047  1.00  8.930          H  
ATOM    559 2HG  PRO A  38      -2.287  -0.004   6.537  1.00  8.930          H  
ATOM    560 1HD  PRO A  38      -5.017  -0.156   6.411  1.00  8.930          H  
ATOM    561 2HD  PRO A  38      -4.042   0.803   5.175  1.00  8.930          H  
ATOM    562  N   SER A  39      -3.221  -4.546   4.385  1.00  5.530          N  
ATOM    563  CA  SER A  39      -3.352  -5.904   4.903  1.00  5.930          C  
ATOM    564  C   SER A  39      -2.638  -6.064   6.244  1.00  6.400          C  
ATOM    565  O   SER A  39      -2.573  -7.187   6.750  1.00  6.940          O  
ATOM    566  OXT SER A  39      -1.758  -5.250   6.521  1.00  8.890          O  
ATOM    567  CB  SER A  39      -2.785  -6.925   3.949  1.00  7.770          C  
ATOM    568  OG  SER A  39      -2.855  -8.214   4.530  1.00  7.770          O  
ATOM    569  H   SER A  39      -2.542  -4.356   3.631  1.00  6.640          H  
ATOM    570  HA  SER A  39      -4.404  -6.115   5.042  1.00  7.120          H  
ATOM    571 1HB  SER A  39      -3.355  -6.905   3.019  1.00  9.320          H  
ATOM    572 2HB  SER A  39      -1.749  -6.676   3.709  1.00  9.320          H  
ATOM    573  HG  SER A  39      -2.301  -8.159   5.342  1.00  9.320          H  
TER                                                                             
# All scores below are weighted scores, not raw scores.
#BEGIN_POSE_ENERGIES_TABLE model01_0001.pdb
label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro cart_bonded total
weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 0.5 NA
pose -184.001 21.317 158.509 -11.5542 3.10887 9.16485 74.5071 -81.6906 -0.38592 -2.99884 -63.0231 -14.6405 -25.445 -1.47892 -5.81066 -1.63793 0 -0.6354 1.779 14.2358 35.1823 -9.77935 9.18144 -22.1967 -6.79711 21.9864 -83.1033
HIS:NtermProteinFull_1 -5.80595 0.59633 6.8813 -0.50978 0.04969 0.36873 3.59294 -3.18362 -0.02356 -0.15707 -5.5659 -0.89684 0 0 -1.21743 0 0 0.06663 0.00875 0 2.38583 0 0 -0.45461 0 0.11267 -3.75188
GLY_2 -1.88309 0.22909 2.16631 -4e-05 0 0 0.64867 -1.04812 -0.04545 -0.28358 -0.01356 -0.38811 0 0 0 0 0 -0.2021 0 0 0 0.34681 0 0.83697 0.21793 0.31608 0.8978
GLU_3 -2.8347 0.25532 3.01154 -0.23773 0.05151 0.38001 1.30511 -1.43156 -0 -0 -0.88975 -0.56813 0 0 -1.21743 0 0 -0.08542 0.01515 0 2.90636 -0.04029 0 -2.7348 0.05923 0.37196 -1.68361
GLY_4 -3.11601 0.16095 3.1322 -6e-05 0 0 1.63312 -1.68941 -0 -0 -1.5645 -0.40622 0 0 0 0 0 -0.16532 0 0 0 -1.51076 0 0.83697 -0.58424 0.22333 -3.04996
THR_5 -5.44504 0.8249 3.85882 -0.18806 0.08789 0.06678 2.09593 -2.19543 -0.02598 -0.16824 -1.65875 -0.85465 0 0 -0.2736 0 0 0.01839 0.12465 0.94379 0 -0.51163 2.33626 -1.0874 -0.26574 0.39807 -1.91905
PHE_6 -8.67428 1.06102 3.18135 -0.98333 0.20101 0.53612 1.66745 -2.28017 -0.01197 -0.12064 -1.849 -0.71786 0 0 0 0 0 -0.07167 0.15323 0 2.37805 -0.15664 0 1.0402 0.56018 0.70842 -3.37853
THR_7 -2.74451 0.23211 2.70986 -0.20386 0.17205 0.07704 1.38379 -1.37493 -0.01197 -0.12064 0.0211 -0.61771 0 0 -0.2736 0 0 -0.04954 0.0013 0.12712 0 0.16191 2.27622 -1.0874 0.56183 0.45652 1.69668
SER_8 -2.14875 0.17809 2.50955 -0.02828 0.00817 0.0269 0.42388 -1.13956 -0.00025 -0.00101 0.27184 -0.11654 0 0 0 0 0 -0.02984 0.00286 0.71603 0 -0.25973 0.61069 -0.77834 -0.17092 0.25038 0.32517
ASP_9 -6.42363 0.41927 8.31441 -0.11746 0.03112 0.36874 4.74623 -3.58638 -0.02143 -0.16848 -8.22432 -0.1819 0 0 -0.75599 0 0 0.10858 0.01229 0 2.53688 -0.34678 0 -2.3716 -0.57378 0.39637 -5.8379
LEU_10 -6.54894 1.02996 4.56426 -0.51357 0.33025 0.13515 2.74534 -2.53674 -0 -0 -0.92152 0.27592 0 0 0 0 0 -0.07643 0.02053 0.30927 0 -0.18836 0 0.18072 -0.37012 0.60499 -0.95929
SER_11 -2.46917 0.23129 2.88719 -0.03036 0 0.05037 0.85534 -1.29592 -0.0095 -0.13687 -0.66477 -1.0108 0 0 0 -0.08711 0 0.00175 0.008 0.17111 0 -0.19705 0.65741 -0.77834 -0.40152 0.50533 -1.71362
LYS_12 -5.25106 0.68091 6.29407 -0.28896 0.03196 0.13614 3.31005 -2.78845 -0.02718 -0.23759 -2.62063 -0.16948 0 0 -0.6583 0 0 -0.02669 0.02388 1.83503 0 -0.22046 0 -1.5107 -0.10849 0.27922 -1.31672
GLN_13 -10.1915 1.78061 5.68931 -0.90929 0.32344 1.05685 2.83449 -3.46035 -0.02128 -0.16162 -0.10687 -1.01986 0 0 0 0 0 -0.0911 0.15674 0 4.68443 -0.24001 0 -0.18838 -0.03325 0.62494 0.7273
MET_14 -4.71211 0.38348 3.41258 -0.35217 0.06364 0.13495 1.32155 -1.91507 -8e-05 -0.00088 -1.21236 -0.12215 0 0 0 0 0 -0.02521 0.04527 1.93552 0 -0.07596 0 0.60916 -0.35015 0.9202 0.06022
GLU_15 -4.63325 0.52256 5.5775 -0.26458 0.04014 0.28983 3.0608 -2.73255 -0.03552 -0.31066 -2.42003 -0.18634 0 0 0 0 0 0.17959 0.00379 0 2.94714 -0.02726 0 -2.7348 -0.46629 0.88372 -0.3062
GLU_16 -3.70403 0.24715 4.25761 -0.4482 0.19742 1.39636 1.62634 -2.01268 -0.02258 -0.15351 -1.03371 -2.91366 0 0 0 0 0 -0.00975 0.00311 0 3.97438 -0.18819 0 -2.7348 -0.49052 0.71163 -1.29762
GLU_17 -4.63785 0.35185 5.0085 -0.34652 0.08599 0.41425 1.64412 -2.31515 -0.02258 -0.15351 -0.97314 -0.63878 0 0 0 0 0 0.03258 0.00303 0 3.29162 -0.10853 0 -2.7348 -0.28528 0.38183 -1.00237
ALA_18 -6.44131 0.71176 4.45426 -0.02277 0 0 2.84753 -3.02388 -0.01876 -0.15245 -2.08333 -0.3629 0 0 0 0 0 -0.03604 0 0 0 -0.32752 0 1.8394 -0.43563 0.29871 -2.75294
VAL_19 -7.38333 0.92119 6.20741 -0.31064 0.24122 0.07214 3.27647 -3.61536 -0.00251 -0.00917 -3.08249 -0.1282 0 0 0 0 0 -0.04795 0.02107 0.03345 0 -0.2902 0 1.9342 -0.32148 0.45029 -2.03389
ARG_20 -5.64527 0.36294 6.15369 -0.74696 0.09036 0.48701 2.3298 -2.94778 -0.00834 -0.07306 -1.74688 0.36994 0 0 0 0 0 -0.03197 0.01159 1.45512 0 -0.04595 0 -1.2888 -0.12776 0.4475 -0.95483
LEU_21 -5.63575 0.49657 4.98107 -0.48159 0.19575 0.10816 2.19303 -2.41656 -0 -0 -1.89908 0.25208 0 0 0 0 0 -0.03325 0.07812 0.51151 0 -0.24114 0 0.18072 -0.2151 0.33451 -1.59095
PHE_22 -10.48 1.21799 5.14784 -0.50638 0.01164 0.19327 2.62801 -3.08008 -0 -0 -3.0764 -0.09547 0 0 0 0 0 -0.0393 0.2307 0 2.3507 0.04326 0 1.0402 -0.11275 0.65716 -3.8696
ILE_23 -6.68624 0.58964 5.07151 -0.71266 0.41984 0.25745 2.84014 -2.80807 -0 -0 -2.52716 0.34222 0 0 0 0 0 -0.05205 0.00588 1.08267 0 -0.14243 0 0.73287 -0.10443 0.99579 -0.69503
GLU_24 -5.40755 0.31873 6.81376 -0.42835 0.06157 0.85493 2.97433 -3.022 -0 -0 -3.77589 -0.44039 0 0 0 -0.73186 0 0.13671 0.00908 0 3.30812 -0.32111 0 -2.7348 -0.34881 0.66777 -2.06574
TRP_25 -9.54198 1.2086 5.74698 -0.93941 0.03337 0.32214 3.26526 -3.69904 -0 -0 -3.24607 -0.39568 0 0 0 0 0 0.19393 0.58202 0 2.80158 0.03804 0 1.6906 -0.41056 0.63944 -1.71077
LEU_26 -6.35467 0.66588 4.47988 -0.71201 0.29306 0.3209 2.17193 -2.61731 -0 -0 -0.91803 0.08115 0 0 0 0 0 0.00794 0.14498 0.91132 0 -0.24558 0 0.18072 -0.22709 0.69853 -1.11839
LYS_27 -4.63645 0.25943 5.76748 -0.29578 0.02195 0.12423 2.22795 -2.38553 -0 -0 -2.91698 0.0008 0 0 0 -0.73186 0 0.03518 0.06331 1.69464 0 -0.01509 0 -1.5107 -0.27963 0.46438 -2.11266
ASN_28 -2.9443 0.1886 3.45698 -0.18449 0.03719 0.27911 1.07892 -1.697 -0 -0 -0.50209 -0.30793 0 0 0 0 0 -0.05102 0.00029 0 1.61722 0.11208 0 -0.93687 -0.14683 0.34436 0.34421
GLY_29 -2.27275 0.0863 2.51985 -5e-05 0 0 1.41337 -1.30204 -0 -0 -0.94269 -0.40962 0 0 0 0 0 -0.10658 0 0 0 -1.19496 0 0.83697 -0.17721 0.23231 -1.31712
GLY_30 -2.5511 0.53499 2.40911 -0.00027 0 0 0.84152 -1.33875 -0 -0 -0.57606 -0.22886 0 0 0 0 0 -0.01255 0 0 0 0.37375 0 0.83697 -0.17941 0.60732 0.71665
PRO_31 -3.16015 0.43403 2.71777 -0.1809 0.00087 0.126 1.98802 -1.35333 -0 -0 -1.79801 0.04441 0 0 0 0 0 -0.04785 0.00149 0.89758 0 -0.93594 0 -2.4119 -0.35617 0.80072 -3.23337
SER_32 -2.72876 0.31946 2.60502 -0.03015 0.00115 0.04762 0.85818 -1.41072 -0.04712 -0.29058 0.30024 -0.95177 0 0 0 0 0 -0.13812 0.01472 0.14796 0 -0.33208 0.6193 -0.77834 -0.48055 0.50775 -1.7668
SER_33 -1.52446 0.21447 1.9818 -0.02963 0.00022 0.04906 0.71162 -0.92666 -0 -0 0.39295 -1.06175 0 0 0 0 0 0.05192 0.00218 0.24127 0 -0.20724 0.61774 -0.77834 -0.39809 0.22598 -0.43696
GLY_34 -2.5177 0.36676 2.03999 -7e-05 0 0 1.08842 -1.24693 -0 -0 -0.38179 -0.33967 0 0 0 0 0 -0.05793 0 0 0 0.93763 0 0.83697 0.49223 0.16962 1.38753
ALA_35 -4.26601 0.69223 2.18603 -0.02275 0 0 1.27996 -1.77297 -0.00167 -0.007 0.25316 -0.13717 0 0 0 0 0 -0.00299 0 0 0 -0.19372 0 1.8394 0.49073 0.87777 1.21501
PRO_36 -4.9365 1.19105 1.86575 -0.13169 0.00021 0.09583 0.46739 -0.82156 -0 -0 0.11844 0.23015 0 0 0 0 0 0.1217 0.00905 0.10363 0 -1.16351 0 -2.4119 -0.41853 1.53715 -4.14333
PRO_37 -2.1267 0.70362 1.83351 -0.11715 0.00532 0.08601 0.29748 -0.73036 -0 -0 0.03801 0.24663 0 0 0 0 0 -0.10405 0.01745 0.08302 0 -1.09902 0 -2.4119 -0.10092 1.53094 -1.84808
PRO_38 -2.58754 0.45631 2.72626 -0.19164 0.00265 0.13449 1.23344 -1.05734 -0 -0 -2.68437 0.11598 0 0 -0.6583 0 0 0.00445 0.00178 0.41344 0 -0.96569 0 -2.4119 -0.1171 0.87059 -4.71449
SER:CtermProteinFull_39 -2.94838 0.19154 3.88661 -0.08658 0.01821 0.16827 1.5992 -1.43122 -0.02817 -0.29229 -2.54271 -0.93139 0 0 -0.75599 -0.08711 0 0 0.0027 0.62233 0 0 2.06382 -0.77834 -0.12089 0.48215 -0.96824
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 702933 DOMAINID 692955 MODEL 3 exendin-4
MODEL     3
REMARK    Rerank model02.pdb to model03.pdb score: 17.022
REMARK    CLUSTER 0002 t000_.out.valid.rescored.best_scoring.binary cluster_size: 18 cluster_threshold: 3.961960
REMARK    SCORE          fa_dun:          51.329
REMARK    SCORE         fa_elec:         -61.100
REMARK    SCORE          fa_atr:        -184.699
REMARK    SCORE coordinate_constraint:           0.000
REMARK    SCORE     cart_bonded:          22.638
REMARK    SCORE           score:        -141.098
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE            time:           0.000
REMARK    SCORE    fa_intra_rep:           0.310
REMARK    SCORE             ref:          -3.176
REMARK    SCORE          fa_rep:          19.810
REMARK    SCORE           omega:          -0.055
REMARK    SCORE     lk_ball_wtd:          -8.340
REMARK    SCORE     hbond_lr_bb:          -1.149
REMARK    SCORE     rama_prepro:          -6.715
REMARK    SCORE     hbond_sr_bb:         -16.581
REMARK    SCORE fa_intra_sol_xover4:           8.643
REMARK    SCORE     hbond_bb_sc:          -8.407
REMARK    SCORE          fa_sol:         130.322
REMARK    SCORE dihedral_constraint:           0.000
REMARK    SCORE        hbond_sc:          -1.812
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     total_score:        -141.098
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE angle_constraint:           0.000
REMARK    SCORE         p_aa_pp:         -11.693
REMARK    SCORE     description: cluster0002_0001
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE atom_pair_constraint:         -70.422
ATOM      1  N   HIS A   1       0.308  -0.036  -0.331  1.00  5.450          N  
ATOM      2  CA  HIS A   1       1.758   0.071  -0.380  1.00  4.560          C  
ATOM      3  C   HIS A   1       2.198   1.530  -0.201  1.00  4.190          C  
ATOM      4  O   HIS A   1       1.618   2.462  -0.778  1.00  3.980          O  
ATOM      5  CB  HIS A   1       2.306  -0.499  -1.684  1.00  6.740          C  
ATOM      6  CG  HIS A   1       3.764  -0.671  -1.695  1.00  6.740          C  
ATOM      7  ND1 HIS A   1       4.644   0.383  -1.840  1.00  6.740          N  
ATOM      8  CD2 HIS A   1       4.520  -1.786  -1.582  1.00  6.740          C  
ATOM      9  CE1 HIS A   1       5.888  -0.095  -1.814  1.00  6.740          C  
ATOM     10  NE2 HIS A   1       5.829  -1.401  -1.661  1.00  6.740          N  
ATOM     11 1H   HIS A   1       0.070  -0.622   0.454  1.00  6.540          H  
ATOM     12 2H   HIS A   1      -0.090   0.885  -0.223  1.00  6.540          H  
ATOM     13 3H   HIS A   1      -0.069  -0.499  -1.154  1.00  6.540          H  
ATOM     14  HA  HIS A   1       2.192  -0.506   0.433  1.00  5.470          H  
ATOM     15 1HB  HIS A   1       1.823  -1.454  -1.906  1.00  8.090          H  
ATOM     16 2HB  HIS A   1       2.073   0.174  -2.480  1.00  8.090          H  
ATOM     17  HD2 HIS A   1       4.159  -2.801  -1.459  1.00  8.090          H  
ATOM     18  HE1 HIS A   1       6.806   0.475  -1.908  1.00  8.090          H  
ATOM     19  HE2 HIS A   1       6.626  -2.027  -1.610  1.00  8.090          H  
ATOM     20  N   GLY A   2       3.232   1.714   0.615  1.00  4.500          N  
ATOM     21  CA  GLY A   2       3.750   3.021   1.019  1.00  4.590          C  
ATOM     22  C   GLY A   2       4.259   3.944  -0.088  1.00  4.040          C  
ATOM     23  O   GLY A   2       4.337   5.155   0.117  1.00  4.290          O  
ATOM     24  H   GLY A   2       3.676   0.897   1.025  1.00  5.400          H  
ATOM     25 1HA  GLY A   2       2.963   3.542   1.569  1.00  5.510          H  
ATOM     26 2HA  GLY A   2       4.556   2.859   1.732  1.00  5.510          H  
ATOM     27  N   GLU A   3       4.588   3.417  -1.266  1.00  3.620          N  
ATOM     28  CA  GLU A   3       5.068   4.289  -2.335  1.00  3.460          C  
ATOM     29  C   GLU A   3       3.942   4.907  -3.167  1.00  3.260          C  
ATOM     30  O   GLU A   3       4.209   5.589  -4.155  1.00  3.710          O  
ATOM     31  CB  GLU A   3       6.085   3.570  -3.229  1.00  4.910          C  
ATOM     32  CG  GLU A   3       7.409   3.272  -2.527  1.00  4.910          C  
ATOM     33  CD  GLU A   3       8.396   2.496  -3.379  1.00  4.910          C  
ATOM     34  OE1 GLU A   3       8.074   2.167  -4.496  1.00  4.910          O  
ATOM     35  OE2 GLU A   3       9.471   2.229  -2.898  1.00  4.910          O  
ATOM     36  H   GLU A   3       4.546   2.401  -1.427  1.00  4.340          H  
ATOM     37  HA  GLU A   3       5.605   5.114  -1.869  1.00  4.150          H  
ATOM     38 1HB  GLU A   3       5.677   2.627  -3.555  1.00  5.890          H  
ATOM     39 2HB  GLU A   3       6.289   4.168  -4.116  1.00  5.890          H  
ATOM     40 1HG  GLU A   3       7.866   4.223  -2.257  1.00  5.890          H  
ATOM     41 2HG  GLU A   3       7.211   2.736  -1.605  1.00  5.890          H  
ATOM     42  N   GLY A   4       2.676   4.664  -2.794  1.00  3.080          N  
ATOM     43  CA  GLY A   4       1.564   5.233  -3.557  1.00  3.520          C  
ATOM     44  C   GLY A   4       1.217   4.364  -4.752  1.00  3.200          C  
ATOM     45  O   GLY A   4       0.599   4.817  -5.717  1.00  3.810          O  
ATOM     46  H   GLY A   4       2.481   4.087  -1.965  1.00  3.700          H  
ATOM     47 1HA  GLY A   4       0.693   5.331  -2.906  1.00  4.220          H  
ATOM     48 2HA  GLY A   4       1.825   6.236  -3.892  1.00  4.220          H  
ATOM     49  N   THR A   5       1.651   3.120  -4.667  1.00  2.620          N  
ATOM     50  CA  THR A   5       1.454   2.091  -5.677  1.00  2.680          C  
ATOM     51  C   THR A   5       0.757   0.865  -5.140  1.00  2.290          C  
ATOM     52  O   THR A   5       0.364   0.821  -3.980  1.00  2.550          O  
ATOM     53  CB  THR A   5       2.786   1.665  -6.289  1.00  3.730          C  
ATOM     54  OG1 THR A   5       2.520   0.803  -7.414  1.00  3.730          O  
ATOM     55  CG2 THR A   5       3.658   0.952  -5.230  1.00  3.730          C  
ATOM     56  H   THR A   5       2.154   2.905  -3.820  1.00  3.140          H  
ATOM     57  HA  THR A   5       0.830   2.505  -6.470  1.00  3.220          H  
ATOM     58  HB  THR A   5       3.313   2.552  -6.644  1.00  4.470          H  
ATOM     59  HG1 THR A   5       3.327   0.723  -7.950  1.00  4.470          H  
ATOM     60 1HG2 THR A   5       4.610   0.668  -5.675  1.00  4.470          H  
ATOM     61 2HG2 THR A   5       3.836   1.632  -4.409  1.00  4.470          H  
ATOM     62 3HG2 THR A   5       3.178   0.074  -4.846  1.00  4.470          H  
ATOM     63  N   PHE A   6       0.602  -0.138  -6.000  1.00  2.260          N  
ATOM     64  CA  PHE A   6      -0.035  -1.395  -5.611  1.00  2.420          C  
ATOM     65  C   PHE A   6       0.862  -2.615  -5.652  1.00  2.320          C  
ATOM     66  O   PHE A   6       0.351  -3.728  -5.645  1.00  2.650          O  
ATOM     67  CB  PHE A   6      -1.255  -1.729  -6.478  1.00  3.320          C  
ATOM     68  CG  PHE A   6      -2.399  -0.819  -6.366  1.00  3.320          C  
ATOM     69  CD1 PHE A   6      -2.943  -0.176  -7.467  1.00  3.320          C  
ATOM     70  CD2 PHE A   6      -2.949  -0.597  -5.147  1.00  3.320          C  
ATOM     71  CE1 PHE A   6      -4.040   0.650  -7.312  1.00  3.320          C  
ATOM     72  CE2 PHE A   6      -3.989   0.204  -4.996  1.00  3.320          C  
ATOM     73  CZ  PHE A   6      -4.568   0.837  -6.066  1.00  3.320          C  
ATOM     74  H   PHE A   6       0.974  -0.005  -6.940  1.00  2.710          H  
ATOM     75  HA  PHE A   6      -0.365  -1.283  -4.581  1.00  2.900          H  
ATOM     76 1HB  PHE A   6      -0.950  -1.760  -7.522  1.00  3.990          H  
ATOM     77 2HB  PHE A   6      -1.610  -2.723  -6.219  1.00  3.990          H  
ATOM     78  HD1 PHE A   6      -2.518  -0.342  -8.455  1.00  3.990          H  
ATOM     79  HD2 PHE A   6      -2.537  -1.070  -4.271  1.00  3.990          H  
ATOM     80  HE1 PHE A   6      -4.481   1.145  -8.176  1.00  3.990          H  
ATOM     81  HE2 PHE A   6      -4.343   0.344  -4.012  1.00  3.990          H  
ATOM     82  HZ  PHE A   6      -5.428   1.491  -5.923  1.00  3.990          H  
ATOM     83  N   THR A   7       2.169  -2.439  -5.600  1.00  2.310          N  
ATOM     84  CA  THR A   7       3.122  -3.542  -5.691  1.00  2.510          C  
ATOM     85  C   THR A   7       2.751  -4.758  -4.836  1.00  2.380          C  
ATOM     86  O   THR A   7       2.829  -5.894  -5.308  1.00  2.310          O  
ATOM     87  CB  THR A   7       4.534  -3.046  -5.288  1.00  3.430          C  
ATOM     88  OG1 THR A   7       4.945  -1.995  -6.179  1.00  3.430          O  
ATOM     89  CG2 THR A   7       5.544  -4.177  -5.355  1.00  3.430          C  
ATOM     90  H   THR A   7       2.532  -1.496  -5.570  1.00  2.770          H  
ATOM     91  HA  THR A   7       3.160  -3.867  -6.730  1.00  3.010          H  
ATOM     92  HB  THR A   7       4.502  -2.655  -4.282  1.00  4.120          H  
ATOM     93  HG1 THR A   7       5.748  -1.579  -5.839  1.00  4.120          H  
ATOM     94 1HG2 THR A   7       6.525  -3.799  -5.072  1.00  4.120          H  
ATOM     95 2HG2 THR A   7       5.265  -4.979  -4.672  1.00  4.120          H  
ATOM     96 3HG2 THR A   7       5.584  -4.566  -6.371  1.00  4.120          H  
ATOM     97  N   SER A   8       2.380  -4.536  -3.575  1.00  2.860          N  
ATOM     98  CA  SER A   8       2.033  -5.640  -2.677  1.00  3.260          C  
ATOM     99  C   SER A   8       0.523  -5.815  -2.463  1.00  2.830          C  
ATOM    100  O   SER A   8       0.101  -6.660  -1.669  1.00  3.130          O  
ATOM    101  CB  SER A   8       2.693  -5.440  -1.325  1.00  4.400          C  
ATOM    102  OG  SER A   8       4.095  -5.463  -1.426  1.00  4.400          O  
ATOM    103  H   SER A   8       2.341  -3.587  -3.239  1.00  3.430          H  
ATOM    104  HA  SER A   8       2.418  -6.562  -3.111  1.00  3.910          H  
ATOM    105 1HB  SER A   8       2.367  -4.489  -0.901  1.00  5.280          H  
ATOM    106 2HB  SER A   8       2.365  -6.225  -0.646  1.00  5.280          H  
ATOM    107  HG  SER A   8       4.425  -5.401  -0.526  1.00  5.280          H  
ATOM    108  N   ASP A   9      -0.290  -4.983  -3.121  1.00  2.540          N  
ATOM    109  CA  ASP A   9      -1.736  -4.956  -2.904  1.00  2.640          C  
ATOM    110  C   ASP A   9      -2.584  -5.365  -4.118  1.00  2.120          C  
ATOM    111  O   ASP A   9      -3.818  -5.250  -4.091  1.00  2.280          O  
ATOM    112  CB  ASP A   9      -2.140  -3.540  -2.474  1.00  3.660          C  
ATOM    113  CG  ASP A   9      -1.535  -3.060  -1.099  1.00  3.660          C  
ATOM    114  OD1 ASP A   9      -1.542  -3.798  -0.122  1.00  3.660          O  
ATOM    115  OD2 ASP A   9      -1.070  -1.927  -1.048  1.00  3.660          O  
ATOM    116  H   ASP A   9       0.111  -4.371  -3.830  1.00  3.050          H  
ATOM    117  HA  ASP A   9      -1.961  -5.646  -2.099  1.00  3.170          H  
ATOM    118 1HB  ASP A   9      -1.807  -2.859  -3.240  1.00  4.390          H  
ATOM    119 2HB  ASP A   9      -3.228  -3.471  -2.427  1.00  4.390          H  
ATOM    120  N   LEU A  10      -1.968  -5.907  -5.166  1.00  1.970          N  
ATOM    121  CA  LEU A  10      -2.710  -6.182  -6.406  1.00  2.150          C  
ATOM    122  C   LEU A  10      -3.888  -7.137  -6.257  1.00  1.960          C  
ATOM    123  O   LEU A  10      -4.898  -6.979  -6.952  1.00  2.070          O  
ATOM    124  CB  LEU A  10      -1.771  -6.734  -7.492  1.00  2.940          C  
ATOM    125  CG  LEU A  10      -0.717  -5.747  -8.082  1.00  2.940          C  
ATOM    126  CD1 LEU A  10       0.215  -6.506  -9.000  1.00  2.940          C  
ATOM    127  CD2 LEU A  10      -1.411  -4.595  -8.843  1.00  2.940          C  
ATOM    128  H   LEU A  10      -0.967  -6.077  -5.128  1.00  2.360          H  
ATOM    129  HA  LEU A  10      -3.113  -5.241  -6.749  1.00  2.580          H  
ATOM    130 1HB  LEU A  10      -1.227  -7.579  -7.074  1.00  3.530          H  
ATOM    131 2HB  LEU A  10      -2.381  -7.098  -8.317  1.00  3.530          H  
ATOM    132  HG  LEU A  10      -0.124  -5.345  -7.287  1.00  3.530          H  
ATOM    133 1HD1 LEU A  10       0.968  -5.824  -9.396  1.00  3.530          H  
ATOM    134 2HD1 LEU A  10       0.710  -7.301  -8.441  1.00  3.530          H  
ATOM    135 3HD1 LEU A  10      -0.350  -6.939  -9.824  1.00  3.530          H  
ATOM    136 1HD2 LEU A  10      -0.647  -3.927  -9.242  1.00  3.530          H  
ATOM    137 2HD2 LEU A  10      -1.999  -5.003  -9.663  1.00  3.530          H  
ATOM    138 3HD2 LEU A  10      -2.058  -4.029  -8.194  1.00  3.530          H  
ATOM    139  N   SER A  11      -3.772  -8.121  -5.362  1.00  2.090          N  
ATOM    140  CA  SER A  11      -4.817  -9.114  -5.129  1.00  2.420          C  
ATOM    141  C   SER A  11      -5.943  -8.612  -4.221  1.00  2.060          C  
ATOM    142  O   SER A  11      -6.934  -9.313  -4.007  1.00  2.370          O  
ATOM    143  CB  SER A  11      -4.211 -10.372  -4.540  1.00  3.260          C  
ATOM    144  OG  SER A  11      -3.692 -10.134  -3.259  1.00  3.260          O  
ATOM    145  H   SER A  11      -2.924  -8.208  -4.817  1.00  2.510          H  
ATOM    146  HA  SER A  11      -5.255  -9.371  -6.094  1.00  2.900          H  
ATOM    147 1HB  SER A  11      -4.974 -11.147  -4.488  1.00  3.910          H  
ATOM    148 2HB  SER A  11      -3.420 -10.735  -5.194  1.00  3.910          H  
ATOM    149  HG  SER A  11      -3.399 -10.989  -2.929  1.00  3.910          H  
ATOM    150  N   LYS A  12      -5.785  -7.419  -3.644  1.00  1.760          N  
ATOM    151  CA  LYS A  12      -6.793  -6.874  -2.742  1.00  1.910          C  
ATOM    152  C   LYS A  12      -7.556  -5.743  -3.414  1.00  1.590          C  
ATOM    153  O   LYS A  12      -8.789  -5.725  -3.424  1.00  1.840          O  
ATOM    154  CB  LYS A  12      -6.118  -6.336  -1.489  1.00  2.610          C  
ATOM    155  CG  LYS A  12      -5.465  -7.398  -0.611  1.00  2.610          C  
ATOM    156  CD  LYS A  12      -4.898  -6.799   0.693  1.00  2.610          C  
ATOM    157  CE  LYS A  12      -3.669  -5.940   0.385  1.00  2.610          C  
ATOM    158  NZ  LYS A  12      -2.936  -5.490   1.575  1.00  2.610          N  
ATOM    159  H   LYS A  12      -4.957  -6.866  -3.863  1.00  2.110          H  
ATOM    160  HA  LYS A  12      -7.500  -7.659  -2.477  1.00  2.290          H  
ATOM    161 1HB  LYS A  12      -5.366  -5.614  -1.795  1.00  3.140          H  
ATOM    162 2HB  LYS A  12      -6.855  -5.811  -0.889  1.00  3.140          H  
ATOM    163 1HG  LYS A  12      -6.203  -8.161  -0.365  1.00  3.140          H  
ATOM    164 2HG  LYS A  12      -4.656  -7.873  -1.171  1.00  3.140          H  
ATOM    165 1HD  LYS A  12      -5.654  -6.184   1.182  1.00  3.140          H  
ATOM    166 2HD  LYS A  12      -4.610  -7.602   1.371  1.00  3.140          H  
ATOM    167 1HE  LYS A  12      -2.991  -6.511  -0.241  1.00  3.140          H  
ATOM    168 2HE  LYS A  12      -3.985  -5.052  -0.152  1.00  3.140          H  
ATOM    169 1HZ  LYS A  12      -2.159  -4.916   1.203  1.00  3.140          H  
ATOM    170 2HZ  LYS A  12      -3.522  -4.926   2.167  1.00  3.140          H  
ATOM    171 3HZ  LYS A  12      -2.579  -6.273   2.095  1.00  3.140          H  
ATOM    172  N   GLN A  13      -6.804  -4.847  -4.055  1.00  1.500          N  
ATOM    173  CA  GLN A  13      -7.322  -3.652  -4.722  1.00  1.930          C  
ATOM    174  C   GLN A  13      -8.228  -3.971  -5.892  1.00  1.840          C  
ATOM    175  O   GLN A  13      -9.005  -3.134  -6.299  1.00  2.240          O  
ATOM    176  CB  GLN A  13      -6.167  -2.748  -5.186  1.00  2.530          C  
ATOM    177  CG  GLN A  13      -5.255  -3.372  -6.237  1.00  2.530          C  
ATOM    178  CD  GLN A  13      -5.670  -3.174  -7.692  1.00  2.530          C  
ATOM    179  OE1 GLN A  13      -6.100  -2.095  -8.112  1.00  2.530          O  
ATOM    180  NE2 GLN A  13      -5.553  -4.255  -8.476  1.00  2.530          N  
ATOM    181  H   GLN A  13      -5.790  -4.965  -4.016  1.00  1.800          H  
ATOM    182  HA  GLN A  13      -7.907  -3.090  -4.007  1.00  2.320          H  
ATOM    183 1HB  GLN A  13      -6.570  -1.819  -5.586  1.00  3.040          H  
ATOM    184 2HB  GLN A  13      -5.547  -2.495  -4.329  1.00  3.040          H  
ATOM    185 1HG  GLN A  13      -4.258  -2.988  -6.110  1.00  3.040          H  
ATOM    186 2HG  GLN A  13      -5.250  -4.437  -6.064  1.00  3.040          H  
ATOM    187 1HE2 GLN A  13      -5.810  -4.205  -9.443  1.00  3.040          H  
ATOM    188 2HE2 GLN A  13      -5.227  -5.150  -8.075  1.00  3.040          H  
ATOM    189  N   MET A  14      -8.103  -5.168  -6.448  1.00  1.830          N  
ATOM    190  CA  MET A  14      -8.854  -5.580  -7.625  1.00  2.340          C  
ATOM    191  C   MET A  14     -10.377  -5.720  -7.483  1.00  1.960          C  
ATOM    192  O   MET A  14     -11.074  -5.651  -8.493  1.00  2.310          O  
ATOM    193  CB  MET A  14      -8.285  -6.904  -8.139  1.00  3.070          C  
ATOM    194  CG  MET A  14      -8.599  -8.134  -7.270  1.00  3.070          C  
ATOM    195  SD  MET A  14      -7.835  -9.638  -7.905  1.00  3.070          S  
ATOM    196  CE  MET A  14      -8.455 -10.854  -6.749  1.00  3.070          C  
ATOM    197  H   MET A  14      -7.424  -5.793  -6.040  1.00  2.200          H  
ATOM    198  HA  MET A  14      -8.681  -4.822  -8.389  1.00  2.810          H  
ATOM    199 1HB  MET A  14      -8.662  -7.095  -9.141  1.00  3.690          H  
ATOM    200 2HB  MET A  14      -7.200  -6.826  -8.206  1.00  3.690          H  
ATOM    201 1HG  MET A  14      -8.241  -7.969  -6.252  1.00  3.690          H  
ATOM    202 2HG  MET A  14      -9.674  -8.300  -7.231  1.00  3.690          H  
ATOM    203 1HE  MET A  14      -8.069 -11.838  -7.014  1.00  3.690          H  
ATOM    204 2HE  MET A  14      -8.131 -10.600  -5.742  1.00  3.690          H  
ATOM    205 3HE  MET A  14      -9.546 -10.870  -6.784  1.00  3.690          H  
ATOM    206  N   GLU A  15     -10.913  -5.951  -6.282  1.00  1.600          N  
ATOM    207  CA  GLU A  15     -12.379  -6.098  -6.179  1.00  1.720          C  
ATOM    208  C   GLU A  15     -13.034  -4.745  -6.445  1.00  1.290          C  
ATOM    209  O   GLU A  15     -12.465  -3.723  -6.098  1.00  1.270          O  
ATOM    210  CB  GLU A  15     -12.776  -6.645  -4.810  1.00  2.360          C  
ATOM    211  CG  GLU A  15     -12.305  -8.073  -4.556  1.00  2.360          C  
ATOM    212  CD  GLU A  15     -12.744  -8.606  -3.222  1.00  2.360          C  
ATOM    213  OE1 GLU A  15     -13.383  -7.878  -2.500  1.00  2.360          O  
ATOM    214  OE2 GLU A  15     -12.440  -9.738  -2.925  1.00  2.360          O  
ATOM    215  H   GLU A  15     -10.313  -6.039  -5.449  1.00  1.920          H  
ATOM    216  HA  GLU A  15     -12.719  -6.797  -6.946  1.00  2.060          H  
ATOM    217 1HB  GLU A  15     -12.363  -6.018  -4.031  1.00  2.830          H  
ATOM    218 2HB  GLU A  15     -13.863  -6.618  -4.710  1.00  2.830          H  
ATOM    219 1HG  GLU A  15     -12.696  -8.717  -5.343  1.00  2.830          H  
ATOM    220 2HG  GLU A  15     -11.214  -8.099  -4.614  1.00  2.830          H  
ATOM    221  N   GLU A  16     -14.247  -4.683  -6.987  1.00  1.710          N  
ATOM    222  CA  GLU A  16     -14.797  -3.354  -7.279  1.00  1.980          C  
ATOM    223  C   GLU A  16     -14.865  -2.369  -6.091  1.00  1.730          C  
ATOM    224  O   GLU A  16     -14.517  -1.185  -6.248  1.00  1.920          O  
ATOM    225  CB  GLU A  16     -16.187  -3.523  -7.890  1.00  2.660          C  
ATOM    226  CG  GLU A  16     -16.177  -4.132  -9.304  1.00  2.660          C  
ATOM    227  CD  GLU A  16     -16.025  -5.652  -9.358  1.00  2.660          C  
ATOM    228  OE1 GLU A  16     -15.957  -6.300  -8.326  1.00  2.660          O  
ATOM    229  OE2 GLU A  16     -15.978  -6.162 -10.449  1.00  2.660          O  
ATOM    230  H   GLU A  16     -14.764  -5.529  -7.261  1.00  2.050          H  
ATOM    231  HA  GLU A  16     -14.153  -2.901  -8.035  1.00  2.380          H  
ATOM    232 1HB  GLU A  16     -16.792  -4.164  -7.242  1.00  3.200          H  
ATOM    233 2HB  GLU A  16     -16.681  -2.555  -7.941  1.00  3.200          H  
ATOM    234 1HG  GLU A  16     -17.107  -3.860  -9.803  1.00  3.200          H  
ATOM    235 2HG  GLU A  16     -15.359  -3.679  -9.863  1.00  3.200          H  
ATOM    236  N   GLU A  17     -15.248  -2.841  -4.904  1.00  1.810          N  
ATOM    237  CA  GLU A  17     -15.305  -1.949  -3.751  1.00  1.940          C  
ATOM    238  C   GLU A  17     -13.896  -1.542  -3.375  1.00  1.710          C  
ATOM    239  O   GLU A  17     -13.625  -0.377  -3.061  1.00  1.950          O  
ATOM    240  CB  GLU A  17     -16.009  -2.633  -2.578  1.00  2.660          C  
ATOM    241  CG  GLU A  17     -17.500  -2.892  -2.818  1.00  2.660          C  
ATOM    242  CD  GLU A  17     -17.734  -4.058  -3.726  1.00  2.660          C  
ATOM    243  OE1 GLU A  17     -16.776  -4.738  -4.017  1.00  2.660          O  
ATOM    244  OE2 GLU A  17     -18.845  -4.268  -4.140  1.00  2.660          O  
ATOM    245  H   GLU A  17     -15.539  -3.818  -4.812  1.00  2.170          H  
ATOM    246  HA  GLU A  17     -15.863  -1.054  -4.026  1.00  2.330          H  
ATOM    247 1HB  GLU A  17     -15.522  -3.586  -2.366  1.00  3.200          H  
ATOM    248 2HB  GLU A  17     -15.913  -2.013  -1.686  1.00  3.200          H  
ATOM    249 1HG  GLU A  17     -17.989  -3.082  -1.862  1.00  3.200          H  
ATOM    250 2HG  GLU A  17     -17.946  -2.001  -3.256  1.00  3.200          H  
ATOM    251  N   ALA A  18     -13.000  -2.525  -3.422  1.00  1.690          N  
ATOM    252  CA  ALA A  18     -11.602  -2.330  -3.118  1.00  2.230          C  
ATOM    253  C   ALA A  18     -10.951  -1.348  -4.073  1.00  2.030          C  
ATOM    254  O   ALA A  18     -10.207  -0.488  -3.638  1.00  2.140          O  
ATOM    255  CB  ALA A  18     -10.869  -3.636  -3.163  1.00  2.910          C  
ATOM    256  H   ALA A  18     -13.326  -3.450  -3.670  1.00  2.030          H  
ATOM    257  HA  ALA A  18     -11.532  -1.927  -2.113  1.00  2.680          H  
ATOM    258 1HB  ALA A  18      -9.846  -3.486  -2.900  1.00  3.490          H  
ATOM    259 2HB  ALA A  18     -11.316  -4.335  -2.463  1.00  3.490          H  
ATOM    260 3HB  ALA A  18     -10.919  -4.044  -4.162  1.00  3.490          H  
ATOM    261  N   VAL A  19     -11.295  -1.360  -5.360  1.00  2.000          N  
ATOM    262  CA  VAL A  19     -10.636  -0.424  -6.261  1.00  2.070          C  
ATOM    263  C   VAL A  19     -10.901   0.980  -5.779  1.00  1.840          C  
ATOM    264  O   VAL A  19      -9.980   1.793  -5.672  1.00  1.770          O  
ATOM    265  CB  VAL A  19     -11.135  -0.548  -7.729  1.00  2.870          C  
ATOM    266  CG1 VAL A  19     -10.577   0.625  -8.583  1.00  2.870          C  
ATOM    267  CG2 VAL A  19     -10.667  -1.876  -8.348  1.00  2.870          C  
ATOM    268  H   VAL A  19     -11.906  -2.095  -5.703  1.00  2.400          H  
ATOM    269  HA  VAL A  19      -9.563  -0.618  -6.239  1.00  2.480          H  
ATOM    270  HB  VAL A  19     -12.226  -0.505  -7.738  1.00  3.440          H  
ATOM    271 1HG1 VAL A  19     -10.938   0.527  -9.605  1.00  3.440          H  
ATOM    272 2HG1 VAL A  19     -10.903   1.586  -8.187  1.00  3.440          H  
ATOM    273 3HG1 VAL A  19      -9.486   0.585  -8.577  1.00  3.440          H  
ATOM    274 1HG2 VAL A  19     -11.029  -1.957  -9.367  1.00  3.440          H  
ATOM    275 2HG2 VAL A  19      -9.577  -1.912  -8.348  1.00  3.440          H  
ATOM    276 3HG2 VAL A  19     -11.050  -2.705  -7.772  1.00  3.440          H  
ATOM    277  N   ARG A  20     -12.159   1.279  -5.467  1.00  1.910          N  
ATOM    278  CA  ARG A  20     -12.473   2.612  -4.977  1.00  1.940          C  
ATOM    279  C   ARG A  20     -11.699   2.955  -3.700  1.00  1.600          C  
ATOM    280  O   ARG A  20     -11.046   4.002  -3.615  1.00  1.650          O  
ATOM    281  CB  ARG A  20     -13.963   2.735  -4.705  1.00  2.700          C  
ATOM    282  CG  ARG A  20     -14.438   4.086  -4.169  1.00  2.700          C  
ATOM    283  CD  ARG A  20     -15.911   4.085  -3.976  1.00  2.700          C  
ATOM    284  NE  ARG A  20     -16.392   5.312  -3.358  1.00  2.700          N  
ATOM    285  CZ  ARG A  20     -16.705   6.465  -3.996  1.00  2.700          C  
ATOM    286  NH1 ARG A  20     -16.590   6.576  -5.315  1.00  2.700          N  
ATOM    287  NH2 ARG A  20     -17.133   7.494  -3.279  1.00  2.700          N  
ATOM    288  H   ARG A  20     -12.883   0.558  -5.593  1.00  2.290          H  
ATOM    289  HA  ARG A  20     -12.199   3.330  -5.749  1.00  2.330          H  
ATOM    290 1HB  ARG A  20     -14.510   2.531  -5.623  1.00  3.240          H  
ATOM    291 2HB  ARG A  20     -14.256   1.973  -3.981  1.00  3.240          H  
ATOM    292 1HG  ARG A  20     -13.980   4.286  -3.196  1.00  3.240          H  
ATOM    293 2HG  ARG A  20     -14.165   4.879  -4.865  1.00  3.240          H  
ATOM    294 1HD  ARG A  20     -16.416   3.950  -4.930  1.00  3.240          H  
ATOM    295 2HD  ARG A  20     -16.171   3.258  -3.314  1.00  3.240          H  
ATOM    296  HE  ARG A  20     -16.528   5.294  -2.324  1.00  3.240          H  
ATOM    297 1HH1 ARG A  20     -16.267   5.796  -5.865  1.00  3.240          H  
ATOM    298 2HH1 ARG A  20     -16.828   7.445  -5.771  1.00  3.240          H  
ATOM    299 1HH2 ARG A  20     -17.202   7.404  -2.241  1.00  3.240          H  
ATOM    300 2HH2 ARG A  20     -17.371   8.362  -3.720  1.00  3.240          H  
ATOM    301  N   LEU A  21     -11.758   2.059  -2.716  1.00  1.490          N  
ATOM    302  CA  LEU A  21     -11.134   2.306  -1.423  1.00  1.420          C  
ATOM    303  C   LEU A  21      -9.619   2.440  -1.501  1.00  1.170          C  
ATOM    304  O   LEU A  21      -9.019   3.331  -0.885  1.00  1.080          O  
ATOM    305  CB  LEU A  21     -11.466   1.113  -0.523  1.00  2.020          C  
ATOM    306  CG  LEU A  21     -12.925   0.946  -0.093  1.00  2.020          C  
ATOM    307  CD1 LEU A  21     -13.094  -0.435   0.519  1.00  2.020          C  
ATOM    308  CD2 LEU A  21     -13.290   2.006   0.930  1.00  2.020          C  
ATOM    309  H   LEU A  21     -12.289   1.192  -2.866  1.00  1.790          H  
ATOM    310  HA  LEU A  21     -11.538   3.230  -1.019  1.00  1.700          H  
ATOM    311 1HB  LEU A  21     -11.162   0.208  -1.039  1.00  2.420          H  
ATOM    312 2HB  LEU A  21     -10.891   1.201   0.366  1.00  2.420          H  
ATOM    313  HG  LEU A  21     -13.578   1.031  -0.958  1.00  2.420          H  
ATOM    314 1HD1 LEU A  21     -14.130  -0.571   0.825  1.00  2.420          H  
ATOM    315 2HD1 LEU A  21     -12.836  -1.192  -0.217  1.00  2.420          H  
ATOM    316 3HD1 LEU A  21     -12.442  -0.531   1.387  1.00  2.420          H  
ATOM    317 1HD2 LEU A  21     -14.323   1.863   1.233  1.00  2.420          H  
ATOM    318 2HD2 LEU A  21     -12.638   1.903   1.798  1.00  2.420          H  
ATOM    319 3HD2 LEU A  21     -13.177   3.004   0.515  1.00  2.420          H  
ATOM    320  N   PHE A  22      -9.001   1.562  -2.269  1.00  1.240          N  
ATOM    321  CA  PHE A  22      -7.573   1.525  -2.414  1.00  1.310          C  
ATOM    322  C   PHE A  22      -7.002   2.664  -3.206  1.00  1.100          C  
ATOM    323  O   PHE A  22      -5.969   3.200  -2.814  1.00  1.160          O  
ATOM    324  CB  PHE A  22      -7.134   0.207  -3.012  1.00  1.810          C  
ATOM    325  CG  PHE A  22      -6.903  -0.887  -2.016  1.00  1.810          C  
ATOM    326  CD1 PHE A  22      -7.904  -1.739  -1.624  1.00  1.810          C  
ATOM    327  CD2 PHE A  22      -5.631  -1.074  -1.489  1.00  1.810          C  
ATOM    328  CE1 PHE A  22      -7.661  -2.756  -0.734  1.00  1.810          C  
ATOM    329  CE2 PHE A  22      -5.383  -2.086  -0.596  1.00  1.810          C  
ATOM    330  CZ  PHE A  22      -6.402  -2.926  -0.218  1.00  1.810          C  
ATOM    331  H   PHE A  22      -9.554   0.868  -2.757  1.00  1.490          H  
ATOM    332  HA  PHE A  22      -7.145   1.577  -1.417  1.00  1.570          H  
ATOM    333 1HB  PHE A  22      -7.870  -0.133  -3.725  1.00  2.170          H  
ATOM    334 2HB  PHE A  22      -6.281   0.356  -3.545  1.00  2.170          H  
ATOM    335  HD1 PHE A  22      -8.891  -1.603  -2.021  1.00  2.170          H  
ATOM    336  HD2 PHE A  22      -4.820  -0.410  -1.791  1.00  2.170          H  
ATOM    337  HE1 PHE A  22      -8.467  -3.426  -0.433  1.00  2.170          H  
ATOM    338  HE2 PHE A  22      -4.378  -2.224  -0.189  1.00  2.170          H  
ATOM    339  HZ  PHE A  22      -6.211  -3.728   0.487  1.00  2.170          H  
ATOM    340  N   ILE A  23      -7.625   3.066  -4.310  1.00  1.150          N  
ATOM    341  CA  ILE A  23      -6.976   4.136  -5.025  1.00  1.340          C  
ATOM    342  C   ILE A  23      -7.034   5.420  -4.206  1.00  1.140          C  
ATOM    343  O   ILE A  23      -6.066   6.180  -4.210  1.00  1.310          O  
ATOM    344  CB  ILE A  23      -7.549   4.332  -6.451  1.00  1.800          C  
ATOM    345  CG1 ILE A  23      -6.584   5.224  -7.321  1.00  1.800          C  
ATOM    346  CG2 ILE A  23      -8.954   4.973  -6.422  1.00  1.800          C  
ATOM    347  CD1 ILE A  23      -5.190   4.618  -7.619  1.00  1.800          C  
ATOM    348  H   ILE A  23      -8.479   2.617  -4.659  1.00  1.380          H  
ATOM    349  HA  ILE A  23      -5.934   3.865  -5.124  1.00  1.610          H  
ATOM    350  HB  ILE A  23      -7.628   3.354  -6.926  1.00  2.160          H  
ATOM    351 1HG1 ILE A  23      -7.073   5.415  -8.273  1.00  2.160          H  
ATOM    352 2HG1 ILE A  23      -6.428   6.174  -6.814  1.00  2.160          H  
ATOM    353 1HG2 ILE A  23      -9.327   5.058  -7.439  1.00  2.160          H  
ATOM    354 2HG2 ILE A  23      -9.630   4.345  -5.846  1.00  2.160          H  
ATOM    355 3HG2 ILE A  23      -8.922   5.967  -5.980  1.00  2.160          H  
ATOM    356 1HD1 ILE A  23      -4.626   5.315  -8.239  1.00  2.160          H  
ATOM    357 2HD1 ILE A  23      -4.632   4.443  -6.711  1.00  2.160          H  
ATOM    358 3HD1 ILE A  23      -5.309   3.678  -8.155  1.00  2.160          H  
ATOM    359  N   GLU A  24      -8.137   5.665  -3.475  1.00  0.950          N  
ATOM    360  CA  GLU A  24      -8.191   6.882  -2.679  1.00  0.990          C  
ATOM    361  C   GLU A  24      -7.142   6.836  -1.560  1.00  0.880          C  
ATOM    362  O   GLU A  24      -6.504   7.848  -1.246  1.00  1.080          O  
ATOM    363  CB  GLU A  24      -9.598   7.088  -2.119  1.00  1.370          C  
ATOM    364  CG  GLU A  24     -10.667   7.413  -3.195  1.00  1.370          C  
ATOM    365  CD  GLU A  24     -10.400   8.702  -3.959  1.00  1.370          C  
ATOM    366  OE1 GLU A  24      -9.978   9.649  -3.356  1.00  1.370          O  
ATOM    367  OE2 GLU A  24     -10.637   8.738  -5.155  1.00  1.370          O  
ATOM    368  H   GLU A  24      -8.947   5.034  -3.513  1.00  1.140          H  
ATOM    369  HA  GLU A  24      -7.957   7.726  -3.325  1.00  1.190          H  
ATOM    370 1HB  GLU A  24      -9.914   6.174  -1.604  1.00  1.640          H  
ATOM    371 2HB  GLU A  24      -9.588   7.893  -1.388  1.00  1.640          H  
ATOM    372 1HG  GLU A  24     -10.694   6.589  -3.909  1.00  1.640          H  
ATOM    373 2HG  GLU A  24     -11.642   7.468  -2.721  1.00  1.640          H  
ATOM    374  N   TRP A  25      -6.939   5.647  -0.988  1.00  0.880          N  
ATOM    375  CA  TRP A  25      -5.957   5.449   0.059  1.00  1.210          C  
ATOM    376  C   TRP A  25      -4.558   5.816  -0.446  1.00  1.380          C  
ATOM    377  O   TRP A  25      -3.810   6.539   0.231  1.00  1.660          O  
ATOM    378  CB  TRP A  25      -6.023   4.008   0.520  1.00  1.560          C  
ATOM    379  CG  TRP A  25      -5.189   3.680   1.660  1.00  1.560          C  
ATOM    380  CD1 TRP A  25      -5.125   4.356   2.838  1.00  1.560          C  
ATOM    381  CD2 TRP A  25      -4.331   2.554   1.797  1.00  1.560          C  
ATOM    382  NE1 TRP A  25      -4.295   3.736   3.685  1.00  1.560          N  
ATOM    383  CE2 TRP A  25      -3.782   2.627   3.066  1.00  1.560          C  
ATOM    384  CE3 TRP A  25      -3.993   1.492   0.958  1.00  1.560          C  
ATOM    385  CZ2 TRP A  25      -2.903   1.702   3.521  1.00  1.560          C  
ATOM    386  CZ3 TRP A  25      -3.108   0.546   1.428  1.00  1.560          C  
ATOM    387  CH2 TRP A  25      -2.574   0.656   2.681  1.00  1.560          C  
ATOM    388  H   TRP A  25      -7.538   4.856  -1.245  1.00  1.060          H  
ATOM    389  HA  TRP A  25      -6.209   6.101   0.891  1.00  1.450          H  
ATOM    390 1HB  TRP A  25      -7.047   3.762   0.745  1.00  1.870          H  
ATOM    391 2HB  TRP A  25      -5.724   3.370  -0.297  1.00  1.870          H  
ATOM    392  HD1 TRP A  25      -5.672   5.263   3.071  1.00  1.870          H  
ATOM    393  HE1 TRP A  25      -4.101   4.043   4.625  1.00  1.870          H  
ATOM    394  HE3 TRP A  25      -4.417   1.411  -0.041  1.00  1.870          H  
ATOM    395  HZ2 TRP A  25      -2.463   1.766   4.505  1.00  1.870          H  
ATOM    396  HZ3 TRP A  25      -2.835  -0.289   0.780  1.00  1.870          H  
ATOM    397  HH2 TRP A  25      -1.867  -0.101   3.034  1.00  1.870          H  
ATOM    398  N   LEU A  26      -4.206   5.324  -1.644  1.00  1.380          N  
ATOM    399  CA  LEU A  26      -2.917   5.642  -2.256  1.00  1.790          C  
ATOM    400  C   LEU A  26      -2.761   7.138  -2.525  1.00  1.850          C  
ATOM    401  O   LEU A  26      -1.715   7.723  -2.224  1.00  2.180          O  
ATOM    402  CB  LEU A  26      -2.770   4.927  -3.600  1.00  2.340          C  
ATOM    403  CG  LEU A  26      -2.109   3.553  -3.637  1.00  2.340          C  
ATOM    404  CD1 LEU A  26      -2.810   2.554  -2.743  1.00  2.340          C  
ATOM    405  CD2 LEU A  26      -2.139   3.103  -5.071  1.00  2.340          C  
ATOM    406  H   LEU A  26      -4.855   4.694  -2.128  1.00  1.660          H  
ATOM    407  HA  LEU A  26      -2.124   5.323  -1.579  1.00  2.150          H  
ATOM    408 1HB  LEU A  26      -3.767   4.815  -4.024  1.00  2.810          H  
ATOM    409 2HB  LEU A  26      -2.196   5.575  -4.265  1.00  2.810          H  
ATOM    410  HG  LEU A  26      -1.090   3.624  -3.294  1.00  2.810          H  
ATOM    411 1HD1 LEU A  26      -2.295   1.592  -2.822  1.00  2.810          H  
ATOM    412 2HD1 LEU A  26      -2.785   2.889  -1.707  1.00  2.810          H  
ATOM    413 3HD1 LEU A  26      -3.813   2.440  -3.059  1.00  2.810          H  
ATOM    414 1HD2 LEU A  26      -1.675   2.137  -5.162  1.00  2.810          H  
ATOM    415 2HD2 LEU A  26      -3.159   3.043  -5.392  1.00  2.810          H  
ATOM    416 3HD2 LEU A  26      -1.618   3.814  -5.696  1.00  2.810          H  
ATOM    417  N   LYS A  27      -3.830   7.793  -3.013  1.00  1.670          N  
ATOM    418  CA  LYS A  27      -3.792   9.231  -3.310  1.00  1.940          C  
ATOM    419  C   LYS A  27      -3.429  10.040  -2.073  1.00  1.790          C  
ATOM    420  O   LYS A  27      -2.719  11.044  -2.161  1.00  2.140          O  
ATOM    421  CB  LYS A  27      -5.141   9.748  -3.829  1.00  2.610          C  
ATOM    422  CG  LYS A  27      -5.548   9.324  -5.241  1.00  2.610          C  
ATOM    423  CD  LYS A  27      -6.944   9.882  -5.564  1.00  2.610          C  
ATOM    424  CE  LYS A  27      -7.467   9.427  -6.911  1.00  2.610          C  
ATOM    425  NZ  LYS A  27      -8.866   9.936  -7.153  1.00  2.610          N  
ATOM    426  H   LYS A  27      -4.670   7.255  -3.255  1.00  2.000          H  
ATOM    427  HA  LYS A  27      -3.030   9.409  -4.064  1.00  2.330          H  
ATOM    428 1HB  LYS A  27      -5.928   9.416  -3.155  1.00  3.130          H  
ATOM    429 2HB  LYS A  27      -5.139  10.836  -3.799  1.00  3.130          H  
ATOM    430 1HG  LYS A  27      -4.829   9.718  -5.956  1.00  3.130          H  
ATOM    431 2HG  LYS A  27      -5.557   8.249  -5.324  1.00  3.130          H  
ATOM    432 1HD  LYS A  27      -7.650   9.565  -4.798  1.00  3.130          H  
ATOM    433 2HD  LYS A  27      -6.906  10.969  -5.557  1.00  3.130          H  
ATOM    434 1HE  LYS A  27      -6.812   9.797  -7.696  1.00  3.130          H  
ATOM    435 2HE  LYS A  27      -7.482   8.340  -6.943  1.00  3.130          H  
ATOM    436 1HZ  LYS A  27      -9.196   9.618  -8.047  1.00  3.130          H  
ATOM    437 2HZ  LYS A  27      -9.502   9.569  -6.406  1.00  3.130          H  
ATOM    438 3HZ  LYS A  27      -8.877  10.942  -7.129  1.00  3.130          H  
ATOM    439  N   ASN A  28      -3.882   9.576  -0.911  1.00  1.390          N  
ATOM    440  CA  ASN A  28      -3.636  10.258   0.345  1.00  1.480          C  
ATOM    441  C   ASN A  28      -2.341   9.824   1.045  1.00  1.750          C  
ATOM    442  O   ASN A  28      -2.089  10.240   2.179  1.00  2.090          O  
ATOM    443  CB  ASN A  28      -4.823  10.072   1.263  1.00  2.040          C  
ATOM    444  CG  ASN A  28      -6.028  10.842   0.796  1.00  2.040          C  
ATOM    445  OD1 ASN A  28      -5.919  11.952   0.256  1.00  2.040          O  
ATOM    446  ND2 ASN A  28      -7.186  10.275   0.997  1.00  2.040          N  
ATOM    447  H   ASN A  28      -4.498   8.753  -0.919  1.00  1.670          H  
ATOM    448  HA  ASN A  28      -3.535  11.323   0.132  1.00  1.780          H  
ATOM    449 1HB  ASN A  28      -5.079   9.008   1.294  1.00  2.440          H  
ATOM    450 2HB  ASN A  28      -4.568  10.383   2.272  1.00  2.440          H  
ATOM    451 1HD2 ASN A  28      -8.026  10.733   0.703  1.00  2.440          H  
ATOM    452 2HD2 ASN A  28      -7.233   9.378   1.431  1.00  2.440          H  
ATOM    453  N   GLY A  29      -1.514   9.012   0.374  1.00  1.960          N  
ATOM    454  CA  GLY A  29      -0.239   8.575   0.931  1.00  2.590          C  
ATOM    455  C   GLY A  29      -0.311   7.487   2.000  1.00  2.320          C  
ATOM    456  O   GLY A  29       0.536   7.451   2.894  1.00  2.750          O  
ATOM    457  H   GLY A  29      -1.762   8.692  -0.564  1.00  2.350          H  
ATOM    458 1HA  GLY A  29       0.381   8.215   0.108  1.00  3.110          H  
ATOM    459 2HA  GLY A  29       0.275   9.442   1.341  1.00  3.110          H  
ATOM    460  N   GLY A  30      -1.301   6.598   1.938  1.00  2.120          N  
ATOM    461  CA  GLY A  30      -1.412   5.571   2.961  1.00  2.340          C  
ATOM    462  C   GLY A  30      -0.148   4.683   3.058  1.00  2.200          C  
ATOM    463  O   GLY A  30       0.485   4.398   2.042  1.00  2.220          O  
ATOM    464  H   GLY A  30      -2.014   6.646   1.203  1.00  2.540          H  
ATOM    465 1HA  GLY A  30      -1.649   6.059   3.898  1.00  2.810          H  
ATOM    466 2HA  GLY A  30      -2.254   4.949   2.700  1.00  2.810          H  
ATOM    467  N   PRO A  31       0.243   4.251   4.285  1.00  2.600          N  
ATOM    468  CA  PRO A  31       1.395   3.411   4.604  1.00  2.860          C  
ATOM    469  C   PRO A  31       1.168   1.967   4.207  1.00  2.670          C  
ATOM    470  O   PRO A  31       0.034   1.506   4.220  1.00  2.860          O  
ATOM    471  CB  PRO A  31       1.492   3.543   6.128  1.00  4.290          C  
ATOM    472  CG  PRO A  31       0.073   3.787   6.575  1.00  4.290          C  
ATOM    473  CD  PRO A  31      -0.551   4.621   5.471  1.00  4.290          C  
ATOM    474  HA  PRO A  31       2.289   3.819   4.108  1.00  3.430          H  
ATOM    475 1HB  PRO A  31       1.917   2.624   6.562  1.00  5.150          H  
ATOM    476 2HB  PRO A  31       2.173   4.367   6.391  1.00  5.150          H  
ATOM    477 1HG  PRO A  31      -0.436   2.829   6.721  1.00  5.150          H  
ATOM    478 2HG  PRO A  31       0.068   4.298   7.551  1.00  5.150          H  
ATOM    479 1HD  PRO A  31      -1.602   4.320   5.347  1.00  5.150          H  
ATOM    480 2HD  PRO A  31      -0.430   5.693   5.708  1.00  5.150          H  
ATOM    481  N   SER A  32       2.244   1.223   3.980  1.00  2.970          N  
ATOM    482  CA  SER A  32       2.133  -0.194   3.636  1.00  3.370          C  
ATOM    483  C   SER A  32       1.377  -1.012   4.674  1.00  3.440          C  
ATOM    484  O   SER A  32       0.607  -1.903   4.328  1.00  4.100          O  
ATOM    485  CB  SER A  32       3.518  -0.803   3.460  1.00  4.560          C  
ATOM    486  OG  SER A  32       4.202  -0.259   2.350  1.00  4.560          O  
ATOM    487  H   SER A  32       3.163   1.638   4.019  1.00  3.560          H  
ATOM    488  HA  SER A  32       1.588  -0.270   2.699  1.00  4.040          H  
ATOM    489 1HB  SER A  32       4.101  -0.639   4.365  1.00  5.470          H  
ATOM    490 2HB  SER A  32       3.417  -1.880   3.333  1.00  5.470          H  
ATOM    491  HG  SER A  32       5.047  -0.737   2.311  1.00  5.470          H  
ATOM    492  N   SER A  33       1.605  -0.702   5.943  1.00  3.260          N  
ATOM    493  CA  SER A  33       1.032  -1.405   7.082  1.00  3.650          C  
ATOM    494  C   SER A  33      -0.410  -1.032   7.439  1.00  3.480          C  
ATOM    495  O   SER A  33      -0.968  -1.585   8.392  1.00  4.080          O  
ATOM    496  CB  SER A  33       1.912  -1.177   8.295  1.00  4.950          C  
ATOM    497  OG  SER A  33       1.921   0.180   8.666  1.00  4.950          O  
ATOM    498  H   SER A  33       2.241   0.054   6.150  1.00  3.910          H  
ATOM    499  HA  SER A  33       1.044  -2.469   6.848  1.00  4.380          H  
ATOM    500 1HB  SER A  33       1.544  -1.781   9.125  1.00  5.940          H  
ATOM    501 2HB  SER A  33       2.925  -1.505   8.076  1.00  5.940          H  
ATOM    502  HG  SER A  33       2.407   0.222   9.497  1.00  5.940          H  
ATOM    503  N   GLY A  34      -0.995  -0.053   6.756  1.00  3.200          N  
ATOM    504  CA  GLY A  34      -2.339   0.390   7.105  1.00  3.560          C  
ATOM    505  C   GLY A  34      -3.421  -0.245   6.242  1.00  3.400          C  
ATOM    506  O   GLY A  34      -3.287  -1.364   5.741  1.00  3.740          O  
ATOM    507  H   GLY A  34      -0.523   0.359   5.946  1.00  3.840          H  
ATOM    508 1HA  GLY A  34      -2.533   0.164   8.152  1.00  4.270          H  
ATOM    509 2HA  GLY A  34      -2.394   1.472   7.004  1.00  4.270          H  
ATOM    510  N   ALA A  35      -4.530   0.471   6.106  1.00  3.360          N  
ATOM    511  CA  ALA A  35      -5.653  -0.015   5.328  1.00  3.470          C  
ATOM    512  C   ALA A  35      -6.463   1.184   4.832  1.00  3.320          C  
ATOM    513  O   ALA A  35      -6.432   2.230   5.483  1.00  3.610          O  
ATOM    514  CB  ALA A  35      -6.517  -0.934   6.170  1.00  4.810          C  
ATOM    515  H   ALA A  35      -4.589   1.378   6.548  1.00  4.030          H  
ATOM    516  HA  ALA A  35      -5.250  -0.574   4.497  1.00  4.160          H  
ATOM    517 1HB  ALA A  35      -7.351  -1.310   5.583  1.00  5.780          H  
ATOM    518 2HB  ALA A  35      -5.913  -1.775   6.519  1.00  5.780          H  
ATOM    519 3HB  ALA A  35      -6.901  -0.383   7.025  1.00  5.780          H  
ATOM    520  N   PRO A  36      -7.162   1.080   3.688  1.00  3.480          N  
ATOM    521  CA  PRO A  36      -8.062   2.080   3.146  1.00  3.650          C  
ATOM    522  C   PRO A  36      -9.222   2.487   4.055  1.00  3.440          C  
ATOM    523  O   PRO A  36      -9.826   1.620   4.686  1.00  3.450          O  
ATOM    524  CB  PRO A  36      -8.621   1.365   1.928  1.00  5.470          C  
ATOM    525  CG  PRO A  36      -7.590   0.383   1.526  1.00  5.470          C  
ATOM    526  CD  PRO A  36      -6.981  -0.096   2.796  1.00  5.470          C  
ATOM    527  HA  PRO A  36      -7.462   2.923   2.856  1.00  4.380          H  
ATOM    528 1HB  PRO A  36      -9.575   0.889   2.195  1.00  6.570          H  
ATOM    529 2HB  PRO A  36      -8.833   2.094   1.165  1.00  6.570          H  
ATOM    530 1HG  PRO A  36      -8.063  -0.422   0.958  1.00  6.570          H  
ATOM    531 2HG  PRO A  36      -6.864   0.853   0.862  1.00  6.570          H  
ATOM    532 1HD  PRO A  36      -7.502  -0.983   3.180  1.00  6.570          H  
ATOM    533 2HD  PRO A  36      -5.930  -0.285   2.557  1.00  6.570          H  
ATOM    534  N   PRO A  37      -9.584   3.784   4.106  1.00  3.810          N  
ATOM    535  CA  PRO A  37     -10.710   4.329   4.830  1.00  4.060          C  
ATOM    536  C   PRO A  37     -11.946   4.086   3.979  1.00  3.950          C  
ATOM    537  O   PRO A  37     -11.803   4.016   2.759  1.00  3.970          O  
ATOM    538  CB  PRO A  37     -10.378   5.818   4.900  1.00  6.090          C  
ATOM    539  CG  PRO A  37      -9.630   6.073   3.612  1.00  6.090          C  
ATOM    540  CD  PRO A  37      -8.821   4.803   3.368  1.00  6.090          C  
ATOM    541  HA  PRO A  37     -10.749   3.863   5.819  1.00  4.870          H  
ATOM    542 1HB  PRO A  37     -11.311   6.410   4.965  1.00  7.310          H  
ATOM    543 2HB  PRO A  37      -9.787   6.036   5.802  1.00  7.310          H  
ATOM    544 1HG  PRO A  37     -10.354   6.272   2.797  1.00  7.310          H  
ATOM    545 2HG  PRO A  37      -9.003   6.972   3.700  1.00  7.310          H  
ATOM    546 1HD  PRO A  37      -8.819   4.587   2.285  1.00  7.310          H  
ATOM    547 2HD  PRO A  37      -7.822   4.912   3.795  1.00  7.310          H  
ATOM    548  N   PRO A  38     -13.155   4.097   4.545  1.00  4.340          N  
ATOM    549  CA  PRO A  38     -14.408   4.138   3.818  1.00  4.700          C  
ATOM    550  C   PRO A  38     -14.399   5.381   2.938  1.00  4.770          C  
ATOM    551  O   PRO A  38     -13.798   6.390   3.320  1.00  5.090          O  
ATOM    552  CB  PRO A  38     -15.446   4.241   4.941  1.00  7.050          C  
ATOM    553  CG  PRO A  38     -14.759   3.629   6.150  1.00  7.050          C  
ATOM    554  CD  PRO A  38     -13.297   4.007   6.003  1.00  7.050          C  
ATOM    555  HA  PRO A  38     -14.532   3.222   3.227  1.00  5.640          H  
ATOM    556 1HB  PRO A  38     -15.726   5.295   5.094  1.00  8.460          H  
ATOM    557 2HB  PRO A  38     -16.363   3.706   4.652  1.00  8.460          H  
ATOM    558 1HG  PRO A  38     -15.206   4.024   7.077  1.00  8.460          H  
ATOM    559 2HG  PRO A  38     -14.916   2.540   6.165  1.00  8.460          H  
ATOM    560 1HD  PRO A  38     -13.076   4.975   6.476  1.00  8.460          H  
ATOM    561 2HD  PRO A  38     -12.695   3.184   6.412  1.00  8.460          H  
ATOM    562  N   SER A  39     -15.085   5.330   1.801  1.00  4.870          N  
ATOM    563  CA  SER A  39     -15.128   6.468   0.890  1.00  5.260          C  
ATOM    564  C   SER A  39     -16.320   6.351  -0.058  1.00  5.550          C  
ATOM    565  O   SER A  39     -16.933   7.352  -0.433  1.00  5.990          O  
ATOM    566  OXT SER A  39     -16.650   5.248  -0.494  1.00  7.890          O  
ATOM    567  CB  SER A  39     -13.824   6.547   0.100  1.00  6.870          C  
ATOM    568  OG  SER A  39     -13.828   7.628  -0.799  1.00  6.870          O  
ATOM    569  H   SER A  39     -15.589   4.491   1.549  1.00  5.840          H  
ATOM    570  HA  SER A  39     -15.240   7.381   1.476  1.00  6.310          H  
ATOM    571 1HB  SER A  39     -12.984   6.648   0.791  1.00  8.240          H  
ATOM    572 2HB  SER A  39     -13.679   5.617  -0.452  1.00  8.240          H  
ATOM    573  HG  SER A  39     -12.982   7.599  -1.250  1.00  8.240          H  
TER                                                                             
# All scores below are weighted scores, not raw scores.
#BEGIN_POSE_ENERGIES_TABLE model01_0001.pdb
label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro cart_bonded total
weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 0.5 NA
pose -184.577 19.8185 152.496 -11.3068 3.24307 9.91497 68.2985 -78.8643 -0.32113 -2.36267 -63.8983 -12.5758 -18.7855 -1.30238 -8.1678 -1.87549 0 -0.06579 1.71871 18.9418 37.168 -11.8886 7.65181 -22.1967 -7.45858 22.62 -83.7758
HIS:NtermProteinFull_1 -7.46161 0.67241 8.23057 -0.52707 0.04635 0.40315 3.73313 -3.85551 -0.01817 -0.14789 -5.4005 -0.76259 0 0 -1.18238 0 0 0.15622 0.11009 0 2.11901 0 0 -0.45461 0 0.20562 -4.13377
GLY_2 -2.5255 0.14003 2.84856 -4e-05 0 0 1.19042 -1.4195 -0 -0 -0.31528 -0.38931 0 0 -0.70755 0 0 -0.15009 0 0 0 0.42327 0 0.83697 0.07895 0.51982 0.53076
GLU_3 -2.77399 0.33245 2.91587 -0.23145 0.04585 0.36274 1.32552 -1.37558 -0 -0 -0.73283 -0.59042 0 0 -1.18234 0 0 -0.08169 0.06924 0 2.89412 -0.05012 0 -2.7348 -0.10161 0.50532 -1.40372
GLY_4 -2.26634 0.31135 1.91039 -5e-05 0 0 0.78155 -1.07765 -0 -0 -1.03967 -0.40664 0 0 0 0 0 -0.17387 0 0 0 -1.43685 0 0.83697 -0.51077 0.35336 -2.71823
THR_5 -5.16322 0.55288 3.58169 -0.20335 0.12454 0.0729 1.88631 -2.18075 -0.01946 -0.14456 -0.73842 -0.95593 0 0 0 0 0 -0.03208 0.07084 0.97121 0 -0.81091 2.2893 -1.0874 -0.26499 0.30713 -1.74428
PHE_6 -8.68981 1.32423 2.08698 -0.62702 0.25147 0.33019 1.50279 -2.00781 -0 -0 -1.85719 0.07347 0 0 0 0 0 0.01218 0.03949 0 2.52495 -0.18996 0 1.0402 -0.05345 0.70589 -3.5334
THR_7 -2.90284 0.23686 2.81901 -0.20115 0.14307 0.07516 1.29488 -1.31969 -0 -0 -0.06401 -0.64762 0 0 0 0 0 -0.03486 0.00019 0.06732 0 0.07695 2.30821 -1.0874 0.22869 0.66271 1.65549
SER_8 -2.3434 0.18704 2.7336 -0.02912 0.01607 0.02815 0.69346 -1.23503 -0 -0 0.0822 0.08213 0 0 0 0 0 0.13338 4e-05 0.55083 0 -0.09649 0.61137 -0.77834 0.22397 0.25707 1.11694
ASP_9 -6.60494 0.58751 8.49663 -0.11169 0.01919 0.34857 4.54183 -3.57275 -0.01849 -0.1304 -9.00817 -0.16254 0 0 -4e-05 -0.20729 0 0.25112 0.01874 0 2.58561 -0.22371 0 -2.3716 -0.21448 0.53726 -5.23962
LEU_10 -4.58466 0.40663 4.11719 -0.50206 0.27738 0.1311 2.01955 -2.00378 -0 -0 -0.95782 0.26094 0 0 -0.9976 0 0 -0.07078 0.00048 0.2872 0 -0.27231 0 0.18072 -0.26715 0.58443 -1.39055
SER_11 -2.56989 0.18111 2.25719 -0.03206 0.00253 0.05516 0.37504 -1.08958 -0 -0 -0.19541 -1.0063 0 0 0 0 0 -0.06249 0.00331 0.28776 0 -0.30055 0.6133 -0.77834 -0.51695 0.28405 -2.49212
LYS_12 -5.47809 0.55145 5.67375 -0.47587 0.22217 0.25282 3.11365 -2.54767 -0.00691 -0.08506 -3.07841 -0.01615 0 0 0 -0.20729 0 -0.04186 0.07895 2.90474 0 -0.12989 0 -1.5107 -0.10414 0.39842 -0.48608
GLN_13 -8.83677 0.81233 5.42333 -0.90508 0.12505 0.95287 2.55587 -3.10826 -0 -0 -1.11035 0.13154 0 0 -0.9976 0 0 -0.02871 0.06637 0 4.40985 -0.14096 0 -0.18838 -0.01353 0.56039 -0.29205
MET_14 -4.86731 0.35372 4.07017 -0.31954 0.05615 0.12627 1.27421 -2.02765 -0.00991 -0.07613 -0.49353 0.02881 0 0 0 0 0 -0.06062 0.01154 2.4683 0 -0.17806 0 0.60916 -0.42755 0.64684 1.18483
GLU_15 -4.45336 0.4407 5.05388 -0.21266 0.03125 0.29536 2.37264 -2.54516 -0.02287 -0.26831 -2.2019 -0.40574 0 0 0 0 0 0.21909 0.00146 0 3.19342 0.03065 0 -2.7348 -0.38335 0.79121 -0.7985
GLU_16 -2.9535 0.15357 3.74931 -0.44021 0.15787 1.367 1.20986 -1.75059 -0.02043 -0.18272 -0.87594 -2.81536 0 0 0 0 0 0.00884 0.0253 0 4.03231 -0.19155 0 -2.7348 -0.43335 0.70561 -0.98878
GLU_17 -3.59855 0.20489 4.6105 -0.47464 0.31419 1.49969 1.56556 -2.11487 -0.05963 -0.45236 -1.04888 -2.91957 0 0 0 0 0 0.04311 0.0531 0 3.91819 -0.217 0 -2.7348 -0.39551 0.41274 -1.39384
ALA_18 -6.576 0.98053 4.51741 -0.02239 0 0 3.04385 -3.15174 -0.04419 -0.21327 -2.17349 -0.34713 0 0 0 0 0 -0.05459 0 0 0 -0.29369 0 1.8394 -0.44476 0.48597 -2.45407
VAL_19 -5.85782 0.65705 5.61982 -0.304 0.2007 0.06985 3.04404 -3.14312 -0.00572 -0.03971 -3.05226 -0.09402 0 0 0 0 0 -0.01109 0.01052 0.04431 0 -0.25338 0 1.9342 -0.26501 0.58456 -0.86106
ARG_20 -5.01091 0.27052 6.49124 -0.69146 0.11313 0.41004 2.93493 -2.86792 -0.00561 -0.05546 -3.96725 0.24534 0 0 -1.19637 0 0 0.02504 0.04034 2.8351 0 -0.01725 0 -1.2888 0.06587 0.39776 -1.27173
LEU_21 -7.04177 0.64254 5.09267 -0.48739 0.18456 0.10938 2.55048 -2.74859 -0.01425 -0.11341 -2.1021 0.26172 0 0 0 0 0 -0.038 0.14046 0.48293 0 -0.24669 0 0.18072 -0.04949 0.40431 -2.79193
PHE_22 -10.9217 1.43748 4.96645 -0.59154 0.01548 0.23036 2.92045 -3.2082 -0 -0 -2.87716 -0.04238 0 0 0 0 0 -0.03844 0.63245 0 2.68613 -0.04371 0 1.0402 -0.11492 0.76007 -3.14901
ILE_23 -6.38717 0.47967 4.72675 -0.69362 0.43851 0.24436 2.57123 -2.67217 -0.01532 -0.07143 -2.47312 0.33624 0 0 0 0 0 -0.04932 0.0337 1.07503 0 -0.13717 0 0.73287 -0.08446 0.99514 -0.95027
GLU_24 -5.86818 0.39306 7.26513 -0.42471 0.06047 0.84963 3.02067 -3.13941 -0.00578 -0.04076 -3.55866 -0.44764 0 0 0 -0.73046 0 0.05921 0.01256 0 3.32387 -0.31987 0 -2.7348 -0.35224 0.57717 -2.06073
TRP_25 -12.9224 1.26142 6.85944 -0.97672 0.10212 0.45225 3.00301 -4.25453 -0 -0 -2.30256 -0.40826 0 0 0 0 0 0.09717 0.12777 0 3.4865 -0.27994 0 1.6906 -0.29123 0.42692 -3.92844
LEU_26 -8.33298 1.1146 4.0324 -0.52443 0.14521 0.11301 2.28041 -3.06868 -0 -0 -2.22567 0.0786 0 0 0 0 0 -0.0166 0.03639 3.38274 0 -0.25754 0 0.18072 -0.15168 0.62025 -2.59328
LYS_27 -4.60765 0.34063 5.80892 -0.29714 0.02039 0.12837 2.42201 -2.3937 -0 -0 -3.04465 -0.00254 0 0 0 -0.73046 0 -0.08188 0.06114 1.69785 0 -0.08085 0 -1.5107 -0.40865 0.57315 -2.10575
ASN_28 -2.77003 0.16799 3.451 -0.19755 0.05028 0.3168 1.26406 -1.66921 -6e-05 -0.00105 -1.03705 -0.4357 0 0 0 0 0 -0.03316 0.00159 0 1.99406 -0.4575 0 -0.93687 -0.61566 0.34457 -0.56348
GLY_29 -1.69177 0.10783 2.27714 -5e-05 0 0 1.17635 -1.0889 -0 -0 -1.27515 -0.37012 0 0 0 0 0 -0.17468 0 0 0 -1.23874 0 0.83697 -0.57139 0.33113 -1.68138
GLY_30 -2.70621 0.56879 2.70145 -0.00018 0 0 0.91017 -1.45854 -0 -0 -0.87502 -0.21817 0 0 0 0 0 -0.08565 0 0 0 0.7321 0 0.83697 0.23836 0.80987 1.45394
PRO_31 -3.83838 0.5514 2.93879 -0.20108 0.00793 0.14766 1.15349 -1.46433 -0 -0 -0.22341 -0.01532 0 0 0 0 0 0.03271 0.00668 0.36658 0 -0.85381 0 -2.4119 0.28658 0.74571 -2.77071
SER_32 -2.85231 0.125 3.16859 -0.02423 0 0.02252 1.22132 -1.56351 -0.02369 -0.14218 -0.34453 -0.41355 0 0 -0.70755 0 0 -0.0486 0 0.57019 0 0.26951 0.60276 -0.77834 -0.22529 0.25673 -0.88715
SER_33 -1.33561 0.11626 1.54951 -0.03324 0.00702 0.05669 0.20514 -0.71751 -0 -0 0.27716 -0.98431 0 0 0 0 0 -0.02896 0.01323 0.27928 0 -0.29115 0.62681 -0.77834 -0.32822 0.33903 -1.02722
GLY_34 -2.3253 0.24342 1.9888 -0.00025 0 0 0.70529 -1.0954 -0.01639 -0.08458 -0.16639 -0.17889 0 0 0 0 0 -0.09028 0 0 0 -1.20689 0 0.83697 -0.15017 0.29878 -1.24127
ALA_35 -2.48041 0.44653 1.2941 -0.02215 0 0 0.14923 -0.90994 -0 -0 0.0979 -0.44386 0 0 0 0 0 0.01945 0 0 0 -0.52033 0 1.8394 0.14701 0.69784 0.31479
PRO_36 -5.91405 1.38532 1.38279 -0.12 0.00806 0.08765 0.10709 -0.65481 -0 -0 -0.04474 0.24916 0 0 0 0 0 0.08547 0.02211 0.17046 0 -0.92284 0 -2.4119 -0.12038 1.51108 -5.17952
PRO_37 -3.13151 0.69854 2.07558 -0.22706 0.05556 0.16838 0.80316 -0.85088 -0.01425 -0.11341 -0.05109 -0.18408 0 0 0 0 0 0.32226 0.01224 0.2652 0 -0.57751 0 -2.4119 -0.21191 1.71199 -1.6607
PRO_38 -1.6566 0.30866 0.72568 -0.13214 0.00051 0.09673 0.17835 -0.36873 -0 -0 -0.36371 0.20766 0 0 0 0 0 -0.04272 0.01484 0.13941 0 -1.18385 0 -2.4119 -0.36494 1.05605 -3.79669
SER:CtermProteinFull_39 -2.27452 0.07216 2.98333 -0.04243 0 0.11016 1.19754 -1.14268 -0 -0 -3.07919 1.13273 0 0 -1.19637 0 0 0 0.00354 0.0954 0 0 0.60005 -0.77834 -0.29077 0.25403 -2.35535
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 702933 DOMAINID 692955 MODEL 4 exendin-4
MODEL     4
REMARK    Rerank model03.pdb to model04.pdb score: 16.494
REMARK    CLUSTER 0003 t000_.out.valid.rescored.best_scoring.binary cluster_size: 12 cluster_threshold: 3.961960
REMARK    SCORE          fa_atr:        -174.597
REMARK    SCORE     cart_bonded:          47.548
REMARK    SCORE coordinate_constraint:           0.000
REMARK    SCORE          fa_dun:          46.714
REMARK    SCORE         fa_elec:         -44.362
REMARK    SCORE          fa_rep:          21.602
REMARK    SCORE             ref:          -3.176
REMARK    SCORE    fa_intra_rep:           0.295
REMARK    SCORE           omega:           4.507
REMARK    SCORE     lk_ball_wtd:          -5.690
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE           score:        -108.289
REMARK    SCORE            time:           0.000
REMARK    SCORE     hbond_bb_sc:          -8.025
REMARK    SCORE dihedral_constraint:           0.000
REMARK    SCORE          fa_sol:         111.779
REMARK    SCORE     hbond_lr_bb:           0.000
REMARK    SCORE fa_intra_sol_xover4:           6.395
REMARK    SCORE     hbond_sr_bb:         -19.472
REMARK    SCORE     rama_prepro:          -3.286
REMARK    SCORE         p_aa_pp:         -10.848
REMARK    SCORE angle_constraint:           0.000
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE atom_pair_constraint:         -76.202
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE     description: cluster0003_0001
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE        hbond_sc:          -1.471
REMARK    SCORE     total_score:        -108.289
ATOM      1  N   HIS A   1       0.653   0.242   0.080  1.00  5.170          N  
ATOM      2  CA  HIS A   1       2.101   0.290  -0.090  1.00  4.980          C  
ATOM      3  C   HIS A   1       2.598   1.732  -0.110  1.00  5.150          C  
ATOM      4  O   HIS A   1       1.876   2.650  -0.508  1.00  5.410          O  
ATOM      5  CB  HIS A   1       2.534  -0.455  -1.359  1.00  7.050          C  
ATOM      6  CG  HIS A   1       4.030  -0.564  -1.530  1.00  7.050          C  
ATOM      7  ND1 HIS A   1       4.789   0.471  -2.020  1.00  7.050          N  
ATOM      8  CD2 HIS A   1       4.897  -1.582  -1.281  1.00  7.050          C  
ATOM      9  CE1 HIS A   1       6.065   0.087  -2.072  1.00  7.050          C  
ATOM     10  NE2 HIS A   1       6.147  -1.147  -1.625  1.00  7.050          N  
ATOM     11 1H   HIS A   1       0.398  -0.562   0.646  1.00  6.200          H  
ATOM     12 2H   HIS A   1       0.321   1.082   0.527  1.00  6.200          H  
ATOM     13 3H   HIS A   1       0.214   0.147  -0.835  1.00  6.200          H  
ATOM     14  HA  HIS A   1       2.573  -0.210   0.754  1.00  5.980          H  
ATOM     15 1HB  HIS A   1       2.101  -1.452  -1.358  1.00  8.460          H  
ATOM     16 2HB  HIS A   1       2.146   0.064  -2.229  1.00  8.460          H  
ATOM     17  HD2 HIS A   1       4.653  -2.560  -0.889  1.00  8.460          H  
ATOM     18  HE1 HIS A   1       6.908   0.685  -2.419  1.00  8.460          H  
ATOM     19  HE2 HIS A   1       6.995  -1.694  -1.550  1.00  8.460          H  
ATOM     20  N   GLY A   2       3.837   1.941   0.327  1.00  5.350          N  
ATOM     21  CA  GLY A   2       4.445   3.274   0.425  1.00  5.800          C  
ATOM     22  C   GLY A   2       4.416   4.105  -0.864  1.00  5.230          C  
ATOM     23  O   GLY A   2       4.325   5.331  -0.808  1.00  5.580          O  
ATOM     24  H   GLY A   2       4.384   1.148   0.639  1.00  6.420          H  
ATOM     25 1HA  GLY A   2       3.942   3.831   1.217  1.00  6.960          H  
ATOM     26 2HA  GLY A   2       5.479   3.159   0.744  1.00  6.960          H  
ATOM     27  N   GLU A   3       4.447   3.454  -2.028  1.00  4.660          N  
ATOM     28  CA  GLU A   3       4.421   4.166  -3.307  1.00  4.310          C  
ATOM     29  C   GLU A   3       3.002   4.525  -3.773  1.00  4.060          C  
ATOM     30  O   GLU A   3       2.823   5.065  -4.864  1.00  4.390          O  
ATOM     31  CB  GLU A   3       5.162   3.364  -4.388  1.00  6.170          C  
ATOM     32  CG  GLU A   3       6.681   3.269  -4.146  1.00  6.170          C  
ATOM     33  CD  GLU A   3       7.425   2.424  -5.162  1.00  6.170          C  
ATOM     34  OE1 GLU A   3       6.808   1.889  -6.050  1.00  6.170          O  
ATOM     35  OE2 GLU A   3       8.624   2.316  -5.035  1.00  6.170          O  
ATOM     36  H   GLU A   3       4.546   2.434  -2.041  1.00  5.590          H  
ATOM     37  HA  GLU A   3       4.963   5.101  -3.176  1.00  5.170          H  
ATOM     38 1HB  GLU A   3       4.760   2.349  -4.424  1.00  7.410          H  
ATOM     39 2HB  GLU A   3       4.997   3.820  -5.362  1.00  7.410          H  
ATOM     40 1HG  GLU A   3       7.087   4.278  -4.178  1.00  7.410          H  
ATOM     41 2HG  GLU A   3       6.853   2.884  -3.151  1.00  7.410          H  
ATOM     42  N   GLY A   4       1.986   4.209  -2.960  1.00  3.860          N  
ATOM     43  CA  GLY A   4       0.590   4.502  -3.280  1.00  4.020          C  
ATOM     44  C   GLY A   4      -0.085   3.408  -4.097  1.00  3.500          C  
ATOM     45  O   GLY A   4      -1.232   3.553  -4.523  1.00  4.090          O  
ATOM     46  H   GLY A   4       2.180   3.759  -2.062  1.00  4.630          H  
ATOM     47 1HA  GLY A   4       0.041   4.644  -2.349  1.00  4.820          H  
ATOM     48 2HA  GLY A   4       0.538   5.445  -3.822  1.00  4.820          H  
ATOM     49  N   THR A   5       0.630   2.313  -4.285  1.00  2.830          N  
ATOM     50  CA  THR A   5       0.169   1.166  -5.050  1.00  2.850          C  
ATOM     51  C   THR A   5      -0.309   0.089  -4.101  1.00  2.440          C  
ATOM     52  O   THR A   5      -0.267   0.234  -2.874  1.00  2.690          O  
ATOM     53  CB  THR A   5       1.291   0.550  -5.898  1.00  3.980          C  
ATOM     54  OG1 THR A   5       2.219  -0.125  -5.032  1.00  3.980          O  
ATOM     55  CG2 THR A   5       2.026   1.654  -6.633  1.00  3.980          C  
ATOM     56  H   THR A   5       1.561   2.298  -3.897  1.00  3.400          H  
ATOM     57  HA  THR A   5      -0.660   1.466  -5.690  1.00  3.420          H  
ATOM     58  HB  THR A   5       0.877  -0.152  -6.606  1.00  4.780          H  
ATOM     59  HG1 THR A   5       2.907  -0.563  -5.571  1.00  4.780          H  
ATOM     60 1HG2 THR A   5       2.824   1.223  -7.220  1.00  4.780          H  
ATOM     61 2HG2 THR A   5       1.332   2.179  -7.287  1.00  4.780          H  
ATOM     62 3HG2 THR A   5       2.454   2.360  -5.925  1.00  4.780          H  
ATOM     63  N   PHE A   6      -0.782  -1.004  -4.679  1.00  2.380          N  
ATOM     64  CA  PHE A   6      -1.247  -2.139  -3.901  1.00  2.190          C  
ATOM     65  C   PHE A   6      -0.207  -3.261  -3.871  1.00  1.980          C  
ATOM     66  O   PHE A   6      -0.526  -4.391  -3.501  1.00  2.490          O  
ATOM     67  CB  PHE A   6      -2.579  -2.654  -4.464  1.00  3.140          C  
ATOM     68  CG  PHE A   6      -3.682  -1.671  -4.326  1.00  3.140          C  
ATOM     69  CD1 PHE A   6      -4.020  -0.824  -5.362  1.00  3.140          C  
ATOM     70  CD2 PHE A   6      -4.390  -1.592  -3.140  1.00  3.140          C  
ATOM     71  CE1 PHE A   6      -5.037   0.103  -5.208  1.00  3.140          C  
ATOM     72  CE2 PHE A   6      -5.405  -0.681  -2.984  1.00  3.140          C  
ATOM     73  CZ  PHE A   6      -5.725   0.173  -4.020  1.00  3.140          C  
ATOM     74  H   PHE A   6      -0.835  -1.040  -5.685  1.00  2.860          H  
ATOM     75  HA  PHE A   6      -1.413  -1.802  -2.879  1.00  2.630          H  
ATOM     76 1HB  PHE A   6      -2.475  -2.930  -5.519  1.00  3.770          H  
ATOM     77 2HB  PHE A   6      -2.870  -3.528  -3.918  1.00  3.770          H  
ATOM     78  HD1 PHE A   6      -3.469  -0.883  -6.300  1.00  3.770          H  
ATOM     79  HD2 PHE A   6      -4.132  -2.255  -2.324  1.00  3.770          H  
ATOM     80  HE1 PHE A   6      -5.296   0.777  -6.022  1.00  3.770          H  
ATOM     81  HE2 PHE A   6      -5.954  -0.631  -2.039  1.00  3.770          H  
ATOM     82  HZ  PHE A   6      -6.526   0.900  -3.896  1.00  3.770          H  
ATOM     83  N   THR A   7       1.051  -2.950  -4.181  1.00  1.840          N  
ATOM     84  CA  THR A   7       2.120  -3.947  -4.246  1.00  1.990          C  
ATOM     85  C   THR A   7       2.132  -4.935  -3.066  1.00  1.700          C  
ATOM     86  O   THR A   7       2.328  -6.135  -3.266  1.00  1.860          O  
ATOM     87  CB  THR A   7       3.501  -3.242  -4.315  1.00  2.730          C  
ATOM     88  OG1 THR A   7       3.576  -2.389  -5.477  1.00  2.730          O  
ATOM     89  CG2 THR A   7       4.620  -4.264  -4.389  1.00  2.730          C  
ATOM     90  H   THR A   7       1.289  -1.988  -4.433  1.00  2.210          H  
ATOM     91  HA  THR A   7       1.982  -4.528  -5.158  1.00  2.390          H  
ATOM     92  HB  THR A   7       3.623  -2.641  -3.446  1.00  3.270          H  
ATOM     93  HG1 THR A   7       4.408  -1.893  -5.442  1.00  3.270          H  
ATOM     94 1HG2 THR A   7       5.575  -3.742  -4.432  1.00  3.270          H  
ATOM     95 2HG2 THR A   7       4.612  -4.908  -3.512  1.00  3.270          H  
ATOM     96 3HG2 THR A   7       4.497  -4.872  -5.283  1.00  3.270          H  
ATOM     97  N   SER A   8       1.973  -4.431  -1.835  1.00  1.880          N  
ATOM     98  CA  SER A   8       2.005  -5.253  -0.623  1.00  2.090          C  
ATOM     99  C   SER A   8       0.651  -5.346   0.088  1.00  1.740          C  
ATOM    100  O   SER A   8       0.578  -5.786   1.238  1.00  2.230          O  
ATOM    101  CB  SER A   8       3.051  -4.720   0.341  1.00  2.840          C  
ATOM    102  OG  SER A   8       2.782  -3.385   0.719  1.00  2.840          O  
ATOM    103  H   SER A   8       1.813  -3.440  -1.734  1.00  2.260          H  
ATOM    104  HA  SER A   8       2.298  -6.263  -0.911  1.00  2.510          H  
ATOM    105 1HB  SER A   8       3.071  -5.352   1.228  1.00  3.410          H  
ATOM    106 2HB  SER A   8       4.032  -4.783  -0.122  1.00  3.410          H  
ATOM    107  HG  SER A   8       3.447  -3.166   1.380  1.00  3.410          H  
ATOM    108  N   ASP A   9      -0.414  -4.916  -0.588  1.00  1.550          N  
ATOM    109  CA  ASP A   9      -1.760  -4.866  -0.025  1.00  1.820          C  
ATOM    110  C   ASP A   9      -2.734  -5.846  -0.656  1.00  1.390          C  
ATOM    111  O   ASP A   9      -3.062  -6.776   0.086  1.00  1.250          O  
ATOM    112  CB  ASP A   9      -2.340  -3.454  -0.122  1.00  2.440          C  
ATOM    113  CG  ASP A   9      -1.586  -2.417   0.739  1.00  2.440          C  
ATOM    114  OD1 ASP A   9      -1.494  -2.613   1.918  1.00  2.440          O  
ATOM    115  OD2 ASP A   9      -1.116  -1.428   0.209  1.00  2.440          O  
ATOM    116  H   ASP A   9      -0.293  -4.632  -1.562  1.00  1.860          H  
ATOM    117  HA  ASP A   9      -1.685  -5.116   1.034  1.00  2.180          H  
ATOM    118 1HB  ASP A   9      -2.304  -3.140  -1.152  1.00  2.930          H  
ATOM    119 2HB  ASP A   9      -3.385  -3.467   0.182  1.00  2.930          H  
ATOM    120  N   LEU A  10      -2.415  -6.134  -1.916  1.00  1.410          N  
ATOM    121  CA  LEU A  10      -3.525  -6.404  -2.817  1.00  1.320          C  
ATOM    122  C   LEU A  10      -4.334  -7.662  -2.488  1.00  1.120          C  
ATOM    123  O   LEU A  10      -5.555  -7.664  -2.657  1.00  1.160          O  
ATOM    124  CB  LEU A  10      -2.973  -6.468  -4.263  1.00  1.880          C  
ATOM    125  CG  LEU A  10      -2.052  -7.662  -4.716  1.00  1.880          C  
ATOM    126  CD1 LEU A  10      -2.856  -8.865  -5.259  1.00  1.880          C  
ATOM    127  CD2 LEU A  10      -1.138  -7.129  -5.802  1.00  1.880          C  
ATOM    128  H   LEU A  10      -1.664  -6.804  -2.013  1.00  1.690          H  
ATOM    129  HA  LEU A  10      -4.195  -5.550  -2.758  1.00  1.580          H  
ATOM    130 1HB  LEU A  10      -3.760  -6.382  -4.943  1.00  2.260          H  
ATOM    131 2HB  LEU A  10      -2.369  -5.608  -4.406  1.00  2.260          H  
ATOM    132  HG  LEU A  10      -1.460  -8.007  -3.872  1.00  2.260          H  
ATOM    133 1HD1 LEU A  10      -2.161  -9.643  -5.567  1.00  2.260          H  
ATOM    134 2HD1 LEU A  10      -3.517  -9.271  -4.524  1.00  2.260          H  
ATOM    135 3HD1 LEU A  10      -3.426  -8.548  -6.111  1.00  2.260          H  
ATOM    136 1HD2 LEU A  10      -0.466  -7.915  -6.132  1.00  2.260          H  
ATOM    137 2HD2 LEU A  10      -1.744  -6.784  -6.640  1.00  2.260          H  
ATOM    138 3HD2 LEU A  10      -0.549  -6.294  -5.408  1.00  2.260          H  
ATOM    139  N   SER A  11      -3.729  -8.693  -1.898  1.00  1.170          N  
ATOM    140  CA  SER A  11      -4.504  -9.898  -1.604  1.00  1.320          C  
ATOM    141  C   SER A  11      -5.583  -9.647  -0.549  1.00  1.260          C  
ATOM    142  O   SER A  11      -6.594 -10.354  -0.499  1.00  1.580          O  
ATOM    143  CB  SER A  11      -3.580 -11.015  -1.161  1.00  1.790          C  
ATOM    144  OG  SER A  11      -2.973 -10.718   0.065  1.00  1.790          O  
ATOM    145  H   SER A  11      -2.746  -8.670  -1.680  1.00  1.400          H  
ATOM    146  HA  SER A  11      -5.000 -10.215  -2.520  1.00  1.580          H  
ATOM    147 1HB  SER A  11      -4.153 -11.937  -1.072  1.00  2.150          H  
ATOM    148 2HB  SER A  11      -2.817 -11.175  -1.921  1.00  2.150          H  
ATOM    149  HG  SER A  11      -2.490 -11.508   0.321  1.00  2.150          H  
ATOM    150  N   LYS A  12      -5.406  -8.597   0.261  1.00  1.150          N  
ATOM    151  CA  LYS A  12      -6.372  -8.239   1.295  1.00  1.270          C  
ATOM    152  C   LYS A  12      -7.389  -7.205   0.815  1.00  1.200          C  
ATOM    153  O   LYS A  12      -8.283  -6.814   1.568  1.00  1.460          O  
ATOM    154  CB  LYS A  12      -5.660  -7.724   2.544  1.00  1.730          C  
ATOM    155  CG  LYS A  12      -4.813  -8.776   3.260  1.00  1.730          C  
ATOM    156  CD  LYS A  12      -4.161  -8.213   4.524  1.00  1.730          C  
ATOM    157  CE  LYS A  12      -3.334  -9.274   5.247  1.00  1.730          C  
ATOM    158  NZ  LYS A  12      -2.668  -8.730   6.470  1.00  1.730          N  
ATOM    159  H   LYS A  12      -4.542  -8.047   0.177  1.00  1.380          H  
ATOM    160  HA  LYS A  12      -6.924  -9.140   1.565  1.00  1.520          H  
ATOM    161 1HB  LYS A  12      -4.994  -6.906   2.259  1.00  2.080          H  
ATOM    162 2HB  LYS A  12      -6.389  -7.328   3.248  1.00  2.080          H  
ATOM    163 1HG  LYS A  12      -5.445  -9.624   3.524  1.00  2.080          H  
ATOM    164 2HG  LYS A  12      -4.035  -9.128   2.579  1.00  2.080          H  
ATOM    165 1HD  LYS A  12      -3.510  -7.380   4.252  1.00  2.080          H  
ATOM    166 2HD  LYS A  12      -4.934  -7.843   5.199  1.00  2.080          H  
ATOM    167 1HE  LYS A  12      -3.987 -10.096   5.537  1.00  2.080          H  
ATOM    168 2HE  LYS A  12      -2.570  -9.652   4.568  1.00  2.080          H  
ATOM    169 1HZ  LYS A  12      -2.133  -9.462   6.916  1.00  2.080          H  
ATOM    170 2HZ  LYS A  12      -2.049  -7.973   6.212  1.00  2.080          H  
ATOM    171 3HZ  LYS A  12      -3.367  -8.386   7.113  1.00  2.080          H  
ATOM    172  N   GLN A  13      -7.224  -6.723  -0.414  1.00  1.050          N  
ATOM    173  CA  GLN A  13      -8.086  -5.693  -0.983  1.00  1.170          C  
ATOM    174  C   GLN A  13      -8.974  -6.259  -2.097  1.00  1.050          C  
ATOM    175  O   GLN A  13     -10.112  -5.810  -2.282  1.00  1.170          O  
ATOM    176  CB  GLN A  13      -7.216  -4.550  -1.503  1.00  1.590          C  
ATOM    177  CG  GLN A  13      -6.379  -3.865  -0.446  1.00  1.590          C  
ATOM    178  CD  GLN A  13      -7.220  -3.155   0.570  1.00  1.590          C  
ATOM    179  OE1 GLN A  13      -8.028  -2.296   0.211  1.00  1.590          O  
ATOM    180  NE2 GLN A  13      -7.051  -3.496   1.836  1.00  1.590          N  
ATOM    181  H   GLN A  13      -6.480  -7.108  -0.992  1.00  1.260          H  
ATOM    182  HA  GLN A  13      -8.741  -5.314  -0.197  1.00  1.400          H  
ATOM    183 1HB  GLN A  13      -6.522  -4.955  -2.209  1.00  1.910          H  
ATOM    184 2HB  GLN A  13      -7.825  -3.807  -2.009  1.00  1.910          H  
ATOM    185 1HG  GLN A  13      -5.781  -4.616   0.069  1.00  1.910          H  
ATOM    186 2HG  GLN A  13      -5.736  -3.140  -0.920  1.00  1.910          H  
ATOM    187 1HE2 GLN A  13      -7.594  -3.055   2.551  1.00  1.910          H  
ATOM    188 2HE2 GLN A  13      -6.383  -4.198   2.088  1.00  1.910          H  
ATOM    189  N   MET A  14      -8.464  -7.320  -2.742  1.00  0.900          N  
ATOM    190  CA  MET A  14      -8.991  -8.020  -3.916  1.00  0.830          C  
ATOM    191  C   MET A  14     -10.485  -8.242  -4.019  1.00  0.810          C  
ATOM    192  O   MET A  14     -11.019  -8.239  -5.124  1.00  0.870          O  
ATOM    193  CB  MET A  14      -8.277  -9.369  -3.998  1.00  1.190          C  
ATOM    194  CG  MET A  14      -8.588 -10.235  -5.231  1.00  1.190          C  
ATOM    195  SD  MET A  14      -7.591 -11.759  -5.265  1.00  1.190          S  
ATOM    196  CE  MET A  14      -5.929 -11.153  -5.619  1.00  1.190          C  
ATOM    197  H   MET A  14      -7.522  -7.595  -2.473  1.00  1.080          H  
ATOM    198  HA  MET A  14      -8.718  -7.452  -4.783  1.00  1.000          H  
ATOM    199 1HB  MET A  14      -7.216  -9.186  -3.962  1.00  1.430          H  
ATOM    200 2HB  MET A  14      -8.525  -9.958  -3.112  1.00  1.430          H  
ATOM    201 1HG  MET A  14      -9.640 -10.524  -5.211  1.00  1.430          H  
ATOM    202 2HG  MET A  14      -8.418  -9.682  -6.147  1.00  1.430          H  
ATOM    203 1HE  MET A  14      -5.239 -11.994  -5.665  1.00  1.430          H  
ATOM    204 2HE  MET A  14      -5.930 -10.634  -6.575  1.00  1.430          H  
ATOM    205 3HE  MET A  14      -5.605 -10.475  -4.844  1.00  1.430          H  
ATOM    206  N   GLU A  15     -11.174  -8.492  -2.925  1.00  0.870          N  
ATOM    207  CA  GLU A  15     -12.601  -8.756  -3.026  1.00  0.940          C  
ATOM    208  C   GLU A  15     -13.423  -7.565  -3.556  1.00  0.930          C  
ATOM    209  O   GLU A  15     -14.418  -7.756  -4.265  1.00  1.080          O  
ATOM    210  CB  GLU A  15     -13.148  -9.169  -1.660  1.00  1.290          C  
ATOM    211  CG  GLU A  15     -12.671 -10.533  -1.175  1.00  1.290          C  
ATOM    212  CD  GLU A  15     -13.185 -10.874   0.195  1.00  1.290          C  
ATOM    213  OE1 GLU A  15     -13.779 -10.023   0.813  1.00  1.290          O  
ATOM    214  OE2 GLU A  15     -12.985 -11.985   0.627  1.00  1.290          O  
ATOM    215  H   GLU A  15     -10.717  -8.501  -2.020  1.00  1.040          H  
ATOM    216  HA  GLU A  15     -12.737  -9.589  -3.715  1.00  1.130          H  
ATOM    217 1HB  GLU A  15     -12.856  -8.427  -0.917  1.00  1.550          H  
ATOM    218 2HB  GLU A  15     -14.238  -9.185  -1.695  1.00  1.550          H  
ATOM    219 1HG  GLU A  15     -13.007 -11.294  -1.879  1.00  1.550          H  
ATOM    220 2HG  GLU A  15     -11.582 -10.543  -1.165  1.00  1.550          H  
ATOM    221  N   GLU A  16     -13.039  -6.338  -3.187  1.00  0.870          N  
ATOM    222  CA  GLU A  16     -13.812  -5.135  -3.537  1.00  0.960          C  
ATOM    223  C   GLU A  16     -13.863  -4.778  -5.027  1.00  0.890          C  
ATOM    224  O   GLU A  16     -12.837  -4.510  -5.661  1.00  0.830          O  
ATOM    225  CB  GLU A  16     -13.321  -3.956  -2.687  1.00  1.310          C  
ATOM    226  CG  GLU A  16     -13.905  -2.601  -3.058  1.00  1.310          C  
ATOM    227  CD  GLU A  16     -15.398  -2.528  -2.950  1.00  1.310          C  
ATOM    228  OE1 GLU A  16     -15.936  -2.805  -1.906  1.00  1.310          O  
ATOM    229  OE2 GLU A  16     -16.005  -2.212  -3.958  1.00  1.310          O  
ATOM    230  H   GLU A  16     -12.167  -6.224  -2.660  1.00  1.040          H  
ATOM    231  HA  GLU A  16     -14.842  -5.322  -3.229  1.00  1.150          H  
ATOM    232 1HB  GLU A  16     -13.594  -4.140  -1.649  1.00  1.570          H  
ATOM    233 2HB  GLU A  16     -12.242  -3.900  -2.715  1.00  1.570          H  
ATOM    234 1HG  GLU A  16     -13.477  -1.856  -2.391  1.00  1.570          H  
ATOM    235 2HG  GLU A  16     -13.587  -2.355  -4.058  1.00  1.570          H  
ATOM    236  N   GLU A  17     -15.078  -4.672  -5.567  1.00  1.010          N  
ATOM    237  CA  GLU A  17     -15.282  -4.411  -6.991  1.00  1.060          C  
ATOM    238  C   GLU A  17     -14.641  -3.110  -7.450  1.00  1.130          C  
ATOM    239  O   GLU A  17     -14.126  -3.028  -8.567  1.00  1.190          O  
ATOM    240  CB  GLU A  17     -16.777  -4.394  -7.320  1.00  1.460          C  
ATOM    241  CG  GLU A  17     -17.445  -5.766  -7.252  1.00  1.460          C  
ATOM    242  CD  GLU A  17     -18.926  -5.736  -7.495  1.00  1.460          C  
ATOM    243  OE1 GLU A  17     -19.471  -4.661  -7.569  1.00  1.460          O  
ATOM    244  OE2 GLU A  17     -19.517  -6.792  -7.606  1.00  1.460          O  
ATOM    245  H   GLU A  17     -15.886  -4.828  -4.972  1.00  1.210          H  
ATOM    246  HA  GLU A  17     -14.826  -5.221  -7.551  1.00  1.270          H  
ATOM    247 1HB  GLU A  17     -17.291  -3.730  -6.624  1.00  1.760          H  
ATOM    248 2HB  GLU A  17     -16.924  -3.995  -8.323  1.00  1.760          H  
ATOM    249 1HG  GLU A  17     -16.989  -6.391  -8.009  1.00  1.760          H  
ATOM    250 2HG  GLU A  17     -17.243  -6.212  -6.280  1.00  1.760          H  
ATOM    251  N   ALA A  18     -14.659  -2.094  -6.590  1.00  1.220          N  
ATOM    252  CA  ALA A  18     -14.070  -0.794  -6.893  1.00  1.390          C  
ATOM    253  C   ALA A  18     -12.551  -0.852  -7.115  1.00  1.330          C  
ATOM    254  O   ALA A  18     -11.983   0.054  -7.728  1.00  1.650          O  
ATOM    255  CB  ALA A  18     -14.359   0.188  -5.772  1.00  1.880          C  
ATOM    256  H   ALA A  18     -15.128  -2.217  -5.681  1.00  1.460          H  
ATOM    257  HA  ALA A  18     -14.530  -0.430  -7.812  1.00  1.670          H  
ATOM    258 1HB  ALA A  18     -13.950   1.164  -6.032  1.00  2.250          H  
ATOM    259 2HB  ALA A  18     -15.435   0.265  -5.628  1.00  2.250          H  
ATOM    260 3HB  ALA A  18     -13.900  -0.161  -4.855  1.00  2.250          H  
ATOM    261  N   VAL A  19     -11.872  -1.868  -6.567  1.00  1.050          N  
ATOM    262  CA  VAL A  19     -10.421  -1.913  -6.666  1.00  1.150          C  
ATOM    263  C   VAL A  19      -9.873  -3.095  -7.463  1.00  1.010          C  
ATOM    264  O   VAL A  19      -8.720  -3.029  -7.892  1.00  1.100          O  
ATOM    265  CB  VAL A  19      -9.802  -1.910  -5.239  1.00  1.570          C  
ATOM    266  CG1 VAL A  19      -9.979  -3.265  -4.555  1.00  1.570          C  
ATOM    267  CG2 VAL A  19      -8.331  -1.546  -5.288  1.00  1.570          C  
ATOM    268  H   VAL A  19     -12.377  -2.629  -6.110  1.00  1.260          H  
ATOM    269  HA  VAL A  19     -10.097  -1.000  -7.157  1.00  1.380          H  
ATOM    270  HB  VAL A  19     -10.338  -1.173  -4.643  1.00  1.880          H  
ATOM    271 1HG1 VAL A  19      -9.575  -3.221  -3.544  1.00  1.880          H  
ATOM    272 2HG1 VAL A  19     -11.011  -3.495  -4.507  1.00  1.880          H  
ATOM    273 3HG1 VAL A  19      -9.473  -4.045  -5.100  1.00  1.880          H  
ATOM    274 1HG2 VAL A  19      -7.955  -1.525  -4.272  1.00  1.880          H  
ATOM    275 2HG2 VAL A  19      -7.764  -2.262  -5.846  1.00  1.880          H  
ATOM    276 3HG2 VAL A  19      -8.213  -0.570  -5.742  1.00  1.880          H  
ATOM    277  N   ARG A  20     -10.692  -4.106  -7.777  1.00  0.910          N  
ATOM    278  CA  ARG A  20     -10.197  -5.310  -8.468  1.00  0.910          C  
ATOM    279  C   ARG A  20      -9.233  -5.025  -9.627  1.00  0.920          C  
ATOM    280  O   ARG A  20      -8.251  -5.746  -9.787  1.00  1.020          O  
ATOM    281  CB  ARG A  20     -11.351  -6.166  -8.986  1.00  1.270          C  
ATOM    282  CG  ARG A  20     -12.138  -6.895  -7.898  1.00  1.270          C  
ATOM    283  CD  ARG A  20     -13.314  -7.628  -8.389  1.00  1.270          C  
ATOM    284  NE  ARG A  20     -14.150  -8.113  -7.269  1.00  1.270          N  
ATOM    285  CZ  ARG A  20     -15.333  -8.721  -7.383  1.00  1.270          C  
ATOM    286  NH1 ARG A  20     -15.873  -8.989  -8.555  1.00  1.270          N  
ATOM    287  NH2 ARG A  20     -15.969  -9.033  -6.279  1.00  1.270          N  
ATOM    288  H   ARG A  20     -11.643  -4.097  -7.400  1.00  1.090          H  
ATOM    289  HA  ARG A  20      -9.667  -5.909  -7.726  1.00  1.090          H  
ATOM    290 1HB  ARG A  20     -12.052  -5.533  -9.531  1.00  1.530          H  
ATOM    291 2HB  ARG A  20     -10.969  -6.913  -9.682  1.00  1.530          H  
ATOM    292 1HG  ARG A  20     -11.480  -7.618  -7.438  1.00  1.530          H  
ATOM    293 2HG  ARG A  20     -12.462  -6.216  -7.166  1.00  1.530          H  
ATOM    294 1HD  ARG A  20     -13.918  -6.971  -9.012  1.00  1.530          H  
ATOM    295 2HD  ARG A  20     -12.986  -8.488  -8.971  1.00  1.530          H  
ATOM    296  HE  ARG A  20     -13.853  -7.932  -6.296  1.00  1.530          H  
ATOM    297 1HH1 ARG A  20     -15.396  -8.747  -9.410  1.00  1.530          H  
ATOM    298 2HH1 ARG A  20     -16.785  -9.423  -8.583  1.00  1.530          H  
ATOM    299 1HH2 ARG A  20     -15.525  -8.786  -5.376  1.00  1.530          H  
ATOM    300 2HH2 ARG A  20     -16.880  -9.463  -6.330  1.00  1.530          H  
ATOM    301  N   LEU A  21      -9.481  -4.006 -10.443  1.00  0.990          N  
ATOM    302  CA  LEU A  21      -8.558  -3.735 -11.540  1.00  1.140          C  
ATOM    303  C   LEU A  21      -7.162  -3.340 -11.049  1.00  1.110          C  
ATOM    304  O   LEU A  21      -6.160  -3.721 -11.650  1.00  1.210          O  
ATOM    305  CB  LEU A  21      -9.086  -2.607 -12.413  1.00  1.540          C  
ATOM    306  CG  LEU A  21     -10.330  -2.887 -13.258  1.00  1.540          C  
ATOM    307  CD1 LEU A  21     -10.801  -1.580 -13.877  1.00  1.540          C  
ATOM    308  CD2 LEU A  21      -9.986  -3.893 -14.369  1.00  1.540          C  
ATOM    309  H   LEU A  21     -10.299  -3.429 -10.299  1.00  1.190          H  
ATOM    310  HA  LEU A  21      -8.446  -4.643 -12.127  1.00  1.370          H  
ATOM    311 1HB  LEU A  21      -9.273  -1.734 -11.786  1.00  1.840          H  
ATOM    312 2HB  LEU A  21      -8.302  -2.368 -13.094  1.00  1.840          H  
ATOM    313  HG  LEU A  21     -11.126  -3.286 -12.629  1.00  1.840          H  
ATOM    314 1HD1 LEU A  21     -11.689  -1.763 -14.482  1.00  1.840          H  
ATOM    315 2HD1 LEU A  21     -11.042  -0.865 -13.091  1.00  1.840          H  
ATOM    316 3HD1 LEU A  21     -10.018  -1.174 -14.507  1.00  1.840          H  
ATOM    317 1HD2 LEU A  21     -10.870  -4.076 -14.977  1.00  1.840          H  
ATOM    318 2HD2 LEU A  21      -9.193  -3.483 -14.998  1.00  1.840          H  
ATOM    319 3HD2 LEU A  21      -9.651  -4.842 -13.949  1.00  1.840          H  
ATOM    320  N   PHE A  22      -7.092  -2.609  -9.930  1.00  1.080          N  
ATOM    321  CA  PHE A  22      -5.830  -2.104  -9.387  1.00  1.130          C  
ATOM    322  C   PHE A  22      -5.071  -3.202  -8.695  1.00  1.040          C  
ATOM    323  O   PHE A  22      -3.864  -3.113  -8.476  1.00  1.050          O  
ATOM    324  CB  PHE A  22      -6.093  -0.973  -8.426  1.00  1.560          C  
ATOM    325  CG  PHE A  22      -6.589   0.242  -9.077  1.00  1.560          C  
ATOM    326  CD1 PHE A  22      -7.947   0.471  -9.182  1.00  1.560          C  
ATOM    327  CD2 PHE A  22      -5.715   1.175  -9.587  1.00  1.560          C  
ATOM    328  CE1 PHE A  22      -8.416   1.600  -9.794  1.00  1.560          C  
ATOM    329  CE2 PHE A  22      -6.184   2.296 -10.188  1.00  1.560          C  
ATOM    330  CZ  PHE A  22      -7.537   2.515 -10.296  1.00  1.560          C  
ATOM    331  H   PHE A  22      -7.943  -2.389  -9.423  1.00  1.300          H  
ATOM    332  HA  PHE A  22      -5.217  -1.749 -10.196  1.00  1.360          H  
ATOM    333 1HB  PHE A  22      -6.807  -1.287  -7.688  1.00  1.870          H  
ATOM    334 2HB  PHE A  22      -5.179  -0.735  -7.929  1.00  1.870          H  
ATOM    335  HD1 PHE A  22      -8.646  -0.253  -8.780  1.00  1.870          H  
ATOM    336  HD2 PHE A  22      -4.638   1.012  -9.508  1.00  1.870          H  
ATOM    337  HE1 PHE A  22      -9.490   1.772  -9.874  1.00  1.870          H  
ATOM    338  HE2 PHE A  22      -5.492   3.020 -10.583  1.00  1.870          H  
ATOM    339  HZ  PHE A  22      -7.903   3.422 -10.779  1.00  1.870          H  
ATOM    340  N   ILE A  23      -5.789  -4.249  -8.386  1.00  1.020          N  
ATOM    341  CA  ILE A  23      -5.240  -5.433  -7.782  1.00  1.000          C  
ATOM    342  C   ILE A  23      -4.572  -6.212  -8.911  1.00  0.910          C  
ATOM    343  O   ILE A  23      -3.387  -6.534  -8.842  1.00  0.880          O  
ATOM    344  CB  ILE A  23      -6.395  -6.207  -7.130  1.00  1.410          C  
ATOM    345  CG1 ILE A  23      -7.065  -5.275  -6.082  1.00  1.410          C  
ATOM    346  CG2 ILE A  23      -6.016  -7.543  -6.574  1.00  1.410          C  
ATOM    347  CD1 ILE A  23      -6.230  -4.782  -4.957  1.00  1.410          C  
ATOM    348  H   ILE A  23      -6.795  -4.182  -8.571  1.00  1.220          H  
ATOM    349  HA  ILE A  23      -4.476  -5.167  -7.057  1.00  1.200          H  
ATOM    350  HB  ILE A  23      -7.123  -6.399  -7.876  1.00  1.690          H  
ATOM    351 1HG1 ILE A  23      -7.391  -4.423  -6.592  1.00  1.690          H  
ATOM    352 2HG1 ILE A  23      -7.912  -5.757  -5.687  1.00  1.690          H  
ATOM    353 1HG2 ILE A  23      -6.886  -8.011  -6.187  1.00  1.690          H  
ATOM    354 2HG2 ILE A  23      -5.593  -8.168  -7.364  1.00  1.690          H  
ATOM    355 3HG2 ILE A  23      -5.327  -7.446  -5.801  1.00  1.690          H  
ATOM    356 1HD1 ILE A  23      -6.841  -4.125  -4.347  1.00  1.690          H  
ATOM    357 2HD1 ILE A  23      -5.906  -5.619  -4.374  1.00  1.690          H  
ATOM    358 3HD1 ILE A  23      -5.373  -4.220  -5.312  1.00  1.690          H  
ATOM    359  N   GLU A  24      -5.303  -6.421 -10.015  1.00  1.000          N  
ATOM    360  CA  GLU A  24      -4.776  -7.148 -11.175  1.00  1.130          C  
ATOM    361  C   GLU A  24      -3.549  -6.456 -11.788  1.00  1.100          C  
ATOM    362  O   GLU A  24      -2.577  -7.113 -12.174  1.00  1.230          O  
ATOM    363  CB  GLU A  24      -5.858  -7.265 -12.252  1.00  1.530          C  
ATOM    364  CG  GLU A  24      -7.019  -8.192 -11.904  1.00  1.530          C  
ATOM    365  CD  GLU A  24      -8.113  -8.174 -12.950  1.00  1.530          C  
ATOM    366  OE1 GLU A  24      -8.015  -7.392 -13.867  1.00  1.530          O  
ATOM    367  OE2 GLU A  24      -9.043  -8.934 -12.826  1.00  1.530          O  
ATOM    368  H   GLU A  24      -6.281  -6.112 -10.025  1.00  1.200          H  
ATOM    369  HA  GLU A  24      -4.488  -8.146 -10.855  1.00  1.360          H  
ATOM    370 1HB  GLU A  24      -6.279  -6.276 -12.442  1.00  1.840          H  
ATOM    371 2HB  GLU A  24      -5.412  -7.612 -13.182  1.00  1.840          H  
ATOM    372 1HG  GLU A  24      -6.642  -9.208 -11.803  1.00  1.840          H  
ATOM    373 2HG  GLU A  24      -7.434  -7.893 -10.944  1.00  1.840          H  
ATOM    374  N   TRP A  25      -3.572  -5.118 -11.814  1.00  1.070          N  
ATOM    375  CA  TRP A  25      -2.498  -4.292 -12.373  1.00  1.260          C  
ATOM    376  C   TRP A  25      -1.187  -4.390 -11.592  1.00  1.210          C  
ATOM    377  O   TRP A  25      -0.147  -3.960 -12.085  1.00  1.550          O  
ATOM    378  CB  TRP A  25      -2.967  -2.832 -12.489  1.00  1.690          C  
ATOM    379  CG  TRP A  25      -4.016  -2.606 -13.609  1.00  1.690          C  
ATOM    380  CD1 TRP A  25      -4.126  -3.305 -14.777  1.00  1.690          C  
ATOM    381  CD2 TRP A  25      -5.111  -1.638 -13.638  1.00  1.690          C  
ATOM    382  NE1 TRP A  25      -5.183  -2.834 -15.516  1.00  1.690          N  
ATOM    383  CE2 TRP A  25      -5.792  -1.828 -14.839  1.00  1.690          C  
ATOM    384  CE3 TRP A  25      -5.553  -0.660 -12.769  1.00  1.690          C  
ATOM    385  CZ2 TRP A  25      -6.887  -1.067 -15.183  1.00  1.690          C  
ATOM    386  CZ3 TRP A  25      -6.652   0.077 -13.110  1.00  1.690          C  
ATOM    387  CH2 TRP A  25      -7.301  -0.109 -14.283  1.00  1.690          C  
ATOM    388  H   TRP A  25      -4.425  -4.646 -11.499  1.00  1.280          H  
ATOM    389  HA  TRP A  25      -2.286  -4.654 -13.372  1.00  1.510          H  
ATOM    390 1HB  TRP A  25      -3.393  -2.518 -11.543  1.00  2.030          H  
ATOM    391 2HB  TRP A  25      -2.106  -2.193 -12.695  1.00  2.030          H  
ATOM    392  HD1 TRP A  25      -3.477  -4.112 -15.099  1.00  2.030          H  
ATOM    393  HE1 TRP A  25      -5.465  -3.186 -16.418  1.00  2.030          H  
ATOM    394  HE3 TRP A  25      -5.047  -0.481 -11.844  1.00  2.030          H  
ATOM    395  HZ2 TRP A  25      -7.420  -1.209 -16.118  1.00  2.030          H  
ATOM    396  HZ3 TRP A  25      -6.993   0.823 -12.416  1.00  2.030          H  
ATOM    397  HH2 TRP A  25      -8.168   0.508 -14.512  1.00  2.030          H  
ATOM    398  N   LEU A  26      -1.230  -4.906 -10.365  1.00  0.960          N  
ATOM    399  CA  LEU A  26      -0.034  -5.090  -9.566  1.00  1.000          C  
ATOM    400  C   LEU A  26       0.287  -6.579  -9.482  1.00  0.940          C  
ATOM    401  O   LEU A  26       1.424  -7.005  -9.664  1.00  1.060          O  
ATOM    402  CB  LEU A  26      -0.214  -4.517  -8.148  1.00  1.380          C  
ATOM    403  CG  LEU A  26       0.205  -3.037  -7.871  1.00  1.380          C  
ATOM    404  CD1 LEU A  26       1.717  -2.890  -8.065  1.00  1.380          C  
ATOM    405  CD2 LEU A  26      -0.562  -2.082  -8.770  1.00  1.380          C  
ATOM    406  H   LEU A  26      -2.114  -5.258  -9.997  1.00  1.150          H  
ATOM    407  HA  LEU A  26       0.795  -4.606 -10.071  1.00  1.200          H  
ATOM    408 1HB  LEU A  26      -1.275  -4.602  -7.887  1.00  1.660          H  
ATOM    409 2HB  LEU A  26       0.352  -5.139  -7.461  1.00  1.660          H  
ATOM    410  HG  LEU A  26      -0.019  -2.809  -6.844  1.00  1.660          H  
ATOM    411 1HD1 LEU A  26       2.023  -1.880  -7.834  1.00  1.660          H  
ATOM    412 2HD1 LEU A  26       2.233  -3.575  -7.403  1.00  1.660          H  
ATOM    413 3HD1 LEU A  26       1.996  -3.111  -9.088  1.00  1.660          H  
ATOM    414 1HD2 LEU A  26      -0.279  -1.061  -8.553  1.00  1.660          H  
ATOM    415 2HD2 LEU A  26      -0.338  -2.301  -9.808  1.00  1.660          H  
ATOM    416 3HD2 LEU A  26      -1.625  -2.198  -8.603  1.00  1.660          H  
ATOM    417  N   LYS A  27      -0.734  -7.400  -9.257  1.00  0.830          N  
ATOM    418  CA  LYS A  27      -0.542  -8.831  -9.119  1.00  0.880          C  
ATOM    419  C   LYS A  27       0.203  -9.412 -10.311  1.00  1.040          C  
ATOM    420  O   LYS A  27       1.094 -10.249 -10.150  1.00  1.200          O  
ATOM    421  CB  LYS A  27      -1.901  -9.510  -8.976  1.00  1.210          C  
ATOM    422  CG  LYS A  27      -1.864 -11.005  -8.774  1.00  1.210          C  
ATOM    423  CD  LYS A  27      -3.275 -11.546  -8.567  1.00  1.210          C  
ATOM    424  CE  LYS A  27      -3.287 -13.051  -8.287  1.00  1.210          C  
ATOM    425  NZ  LYS A  27      -2.834 -13.856  -9.475  1.00  1.210          N  
ATOM    426  H   LYS A  27      -1.670  -7.027  -9.130  1.00  1.000          H  
ATOM    427  HA  LYS A  27       0.052  -9.018  -8.226  1.00  1.060          H  
ATOM    428 1HB  LYS A  27      -2.438  -9.061  -8.156  1.00  1.450          H  
ATOM    429 2HB  LYS A  27      -2.483  -9.316  -9.877  1.00  1.450          H  
ATOM    430 1HG  LYS A  27      -1.418 -11.472  -9.654  1.00  1.450          H  
ATOM    431 2HG  LYS A  27      -1.249 -11.237  -7.905  1.00  1.450          H  
ATOM    432 1HD  LYS A  27      -3.732 -11.026  -7.727  1.00  1.450          H  
ATOM    433 2HD  LYS A  27      -3.869 -11.344  -9.459  1.00  1.450          H  
ATOM    434 1HE  LYS A  27      -2.631 -13.264  -7.444  1.00  1.450          H  
ATOM    435 2HE  LYS A  27      -4.303 -13.350  -8.028  1.00  1.450          H  
ATOM    436 1HZ  LYS A  27      -2.865 -14.840  -9.248  1.00  1.450          H  
ATOM    437 2HZ  LYS A  27      -3.443 -13.674 -10.264  1.00  1.450          H  
ATOM    438 3HZ  LYS A  27      -1.886 -13.602  -9.721  1.00  1.450          H  
ATOM    439  N   ASN A  28      -0.175  -8.973 -11.511  1.00  1.080          N  
ATOM    440  CA  ASN A  28       0.403  -9.472 -12.740  1.00  1.310          C  
ATOM    441  C   ASN A  28       1.417  -8.520 -13.406  1.00  1.440          C  
ATOM    442  O   ASN A  28       1.699  -8.675 -14.599  1.00  1.640          O  
ATOM    443  CB  ASN A  28      -0.719  -9.798 -13.702  1.00  1.740          C  
ATOM    444  CG  ASN A  28      -1.600 -10.930 -13.203  1.00  1.740          C  
ATOM    445  OD1 ASN A  28      -1.140 -11.940 -12.644  1.00  1.740          O  
ATOM    446  ND2 ASN A  28      -2.886 -10.770 -13.401  1.00  1.740          N  
ATOM    447  H   ASN A  28      -0.933  -8.288 -11.571  1.00  1.300          H  
ATOM    448  HA  ASN A  28       0.940 -10.392 -12.509  1.00  1.570          H  
ATOM    449 1HB  ASN A  28      -1.337  -8.908 -13.848  1.00  2.090          H  
ATOM    450 2HB  ASN A  28      -0.306 -10.074 -14.670  1.00  2.090          H  
ATOM    451 1HD2 ASN A  28      -3.530 -11.473 -13.099  1.00  2.090          H  
ATOM    452 2HD2 ASN A  28      -3.222  -9.944 -13.858  1.00  2.090          H  
ATOM    453  N   GLY A  29       1.957  -7.527 -12.688  1.00  1.440          N  
ATOM    454  CA  GLY A  29       2.898  -6.616 -13.352  1.00  1.720          C  
ATOM    455  C   GLY A  29       3.223  -5.350 -12.561  1.00  1.570          C  
ATOM    456  O   GLY A  29       2.938  -5.242 -11.374  1.00  2.050          O  
ATOM    457  H   GLY A  29       1.740  -7.411 -11.693  1.00  1.730          H  
ATOM    458 1HA  GLY A  29       3.821  -7.155 -13.561  1.00  2.060          H  
ATOM    459 2HA  GLY A  29       2.483  -6.329 -14.318  1.00  2.060          H  
ATOM    460  N   GLY A  30       3.906  -4.403 -13.201  1.00  2.000          N  
ATOM    461  CA  GLY A  30       4.245  -3.179 -12.496  1.00  2.760          C  
ATOM    462  C   GLY A  30       3.026  -2.256 -12.508  1.00  2.830          C  
ATOM    463  O   GLY A  30       2.254  -2.286 -13.473  1.00  2.460          O  
ATOM    464  H   GLY A  30       4.153  -4.529 -14.174  1.00  2.400          H  
ATOM    465 1HA  GLY A  30       4.538  -3.434 -11.479  1.00  3.310          H  
ATOM    466 2HA  GLY A  30       5.093  -2.696 -12.984  1.00  3.310          H  
ATOM    467  N   PRO A  31       2.915  -1.325 -11.546  1.00  3.710          N  
ATOM    468  CA  PRO A  31       1.827  -0.371 -11.379  1.00  4.110          C  
ATOM    469  C   PRO A  31       1.657   0.587 -12.551  1.00  4.180          C  
ATOM    470  O   PRO A  31       0.584   1.151 -12.759  1.00  4.740          O  
ATOM    471  CB  PRO A  31       2.244   0.389 -10.115  1.00  6.170          C  
ATOM    472  CG  PRO A  31       3.753   0.209 -10.019  1.00  6.170          C  
ATOM    473  CD  PRO A  31       4.016  -1.164 -10.570  1.00  6.170          C  
ATOM    474  HA  PRO A  31       0.895  -0.931 -11.214  1.00  4.930          H  
ATOM    475 1HB  PRO A  31       1.952   1.448 -10.203  1.00  7.400          H  
ATOM    476 2HB  PRO A  31       1.714  -0.007  -9.254  1.00  7.400          H  
ATOM    477 1HG  PRO A  31       4.268   1.007 -10.577  1.00  7.400          H  
ATOM    478 2HG  PRO A  31       4.083   0.301  -8.974  1.00  7.400          H  
ATOM    479 1HD  PRO A  31       5.000  -1.164 -11.061  1.00  7.400          H  
ATOM    480 2HD  PRO A  31       3.949  -1.920  -9.775  1.00  7.400          H  
ATOM    481  N   SER A  32       2.717   0.759 -13.340  1.00  4.100          N  
ATOM    482  CA  SER A  32       2.692   1.649 -14.489  1.00  4.630          C  
ATOM    483  C   SER A  32       1.784   1.127 -15.598  1.00  4.420          C  
ATOM    484  O   SER A  32       1.429   1.864 -16.519  1.00  5.040          O  
ATOM    485  CB  SER A  32       4.101   1.834 -15.013  1.00  6.270          C  
ATOM    486  OG  SER A  32       4.609   0.634 -15.535  1.00  6.270          O  
ATOM    487  H   SER A  32       3.579   0.273 -13.159  1.00  4.920          H  
ATOM    488  HA  SER A  32       2.310   2.617 -14.163  1.00  5.560          H  
ATOM    489 1HB  SER A  32       4.102   2.600 -15.787  1.00  7.520          H  
ATOM    490 2HB  SER A  32       4.742   2.183 -14.205  1.00  7.520          H  
ATOM    491  HG  SER A  32       5.474   0.851 -15.898  1.00  7.520          H  
ATOM    492  N   SER A  33       1.389  -0.147 -15.499  1.00  3.980          N  
ATOM    493  CA  SER A  33       0.523  -0.789 -16.474  1.00  4.310          C  
ATOM    494  C   SER A  33      -0.956  -0.465 -16.272  1.00  4.280          C  
ATOM    495  O   SER A  33      -1.784  -0.807 -17.120  1.00  4.900          O  
ATOM    496  CB  SER A  33       0.705  -2.297 -16.417  1.00  5.900          C  
ATOM    497  OG  SER A  33       0.216  -2.834 -15.209  1.00  5.900          O  
ATOM    498  H   SER A  33       1.714  -0.714 -14.713  1.00  4.780          H  
ATOM    499  HA  SER A  33       0.810  -0.438 -17.464  1.00  5.170          H  
ATOM    500 1HB  SER A  33       0.179  -2.749 -17.255  1.00  7.080          H  
ATOM    501 2HB  SER A  33       1.761  -2.540 -16.520  1.00  7.080          H  
ATOM    502  HG  SER A  33       0.930  -2.718 -14.539  1.00  7.080          H  
ATOM    503  N   GLY A  34      -1.297   0.168 -15.146  1.00  3.890          N  
ATOM    504  CA  GLY A  34      -2.684   0.435 -14.825  1.00  4.150          C  
ATOM    505  C   GLY A  34      -3.170   1.856 -15.076  1.00  3.970          C  
ATOM    506  O   GLY A  34      -2.766   2.540 -16.020  1.00  4.450          O  
ATOM    507  H   GLY A  34      -0.574   0.458 -14.481  1.00  4.670          H  
ATOM    508 1HA  GLY A  34      -3.312  -0.252 -15.386  1.00  4.980          H  
ATOM    509 2HA  GLY A  34      -2.838   0.202 -13.773  1.00  4.980          H  
ATOM    510  N   ALA A  35      -4.111   2.253 -14.231  1.00  3.540          N  
ATOM    511  CA  ALA A  35      -4.804   3.535 -14.250  1.00  3.420          C  
ATOM    512  C   ALA A  35      -4.416   4.325 -13.001  1.00  3.470          C  
ATOM    513  O   ALA A  35      -3.825   3.746 -12.087  1.00  3.570          O  
ATOM    514  CB  ALA A  35      -6.312   3.323 -14.296  1.00  4.840          C  
ATOM    515  H   ALA A  35      -4.344   1.588 -13.503  1.00  4.250          H  
ATOM    516  HA  ALA A  35      -4.487   4.067 -15.142  1.00  4.100          H  
ATOM    517 1HB  ALA A  35      -6.842   4.254 -14.327  1.00  5.800          H  
ATOM    518 2HB  ALA A  35      -6.566   2.744 -15.182  1.00  5.800          H  
ATOM    519 3HB  ALA A  35      -6.616   2.796 -13.413  1.00  5.800          H  
ATOM    520  N   PRO A  36      -4.654   5.648 -12.938  1.00  3.860          N  
ATOM    521  CA  PRO A  36      -4.471   6.451 -11.745  1.00  4.240          C  
ATOM    522  C   PRO A  36      -5.342   5.822 -10.642  1.00  3.980          C  
ATOM    523  O   PRO A  36      -6.413   5.324 -10.975  1.00  3.700          O  
ATOM    524  CB  PRO A  36      -4.972   7.831 -12.185  1.00  6.360          C  
ATOM    525  CG  PRO A  36      -4.763   7.847 -13.690  1.00  6.360          C  
ATOM    526  CD  PRO A  36      -5.045   6.431 -14.136  1.00  6.360          C  
ATOM    527  HA  PRO A  36      -3.406   6.462 -11.526  1.00  5.090          H  
ATOM    528 1HB  PRO A  36      -6.029   7.960 -11.899  1.00  7.630          H  
ATOM    529 2HB  PRO A  36      -4.406   8.621 -11.672  1.00  7.630          H  
ATOM    530 1HG  PRO A  36      -5.439   8.580 -14.161  1.00  7.630          H  
ATOM    531 2HG  PRO A  36      -3.738   8.168 -13.925  1.00  7.630          H  
ATOM    532 1HD  PRO A  36      -6.111   6.331 -14.357  1.00  7.630          H  
ATOM    533 2HD  PRO A  36      -4.408   6.212 -15.001  1.00  7.630          H  
ATOM    534  N   PRO A  37      -4.929   5.879  -9.353  1.00  4.480          N  
ATOM    535  CA  PRO A  37      -5.560   5.270  -8.177  1.00  4.700          C  
ATOM    536  C   PRO A  37      -7.060   5.548  -8.055  1.00  4.660          C  
ATOM    537  O   PRO A  37      -7.521   6.603  -8.479  1.00  4.790          O  
ATOM    538  CB  PRO A  37      -4.804   5.965  -7.027  1.00  7.050          C  
ATOM    539  CG  PRO A  37      -3.464   6.303  -7.594  1.00  7.050          C  
ATOM    540  CD  PRO A  37      -3.712   6.666  -9.022  1.00  7.050          C  
ATOM    541  HA  PRO A  37      -5.335   4.201  -8.202  1.00  5.640          H  
ATOM    542 1HB  PRO A  37      -5.361   6.857  -6.684  1.00  8.460          H  
ATOM    543 2HB  PRO A  37      -4.710   5.300  -6.157  1.00  8.460          H  
ATOM    544 1HG  PRO A  37      -3.013   7.126  -7.017  1.00  8.460          H  
ATOM    545 2HG  PRO A  37      -2.785   5.441  -7.493  1.00  8.460          H  
ATOM    546 1HD  PRO A  37      -3.890   7.746  -9.148  1.00  8.460          H  
ATOM    547 2HD  PRO A  37      -2.832   6.311  -9.555  1.00  8.460          H  
ATOM    548  N   PRO A  38      -7.825   4.641  -7.396  1.00  4.870          N  
ATOM    549  CA  PRO A  38      -9.269   4.694  -7.193  1.00  5.220          C  
ATOM    550  C   PRO A  38      -9.729   5.741  -6.171  1.00  5.810          C  
ATOM    551  O   PRO A  38     -10.933   5.929  -5.987  1.00  5.930          O  
ATOM    552  CB  PRO A  38      -9.577   3.285  -6.662  1.00  7.830          C  
ATOM    553  CG  PRO A  38      -8.313   2.856  -5.948  1.00  7.830          C  
ATOM    554  CD  PRO A  38      -7.182   3.461  -6.739  1.00  7.830          C  
ATOM    555  HA  PRO A  38      -9.759   4.859  -8.163  1.00  6.260          H  
ATOM    556 1HB  PRO A  38     -10.449   3.325  -5.989  1.00  9.400          H  
ATOM    557 2HB  PRO A  38      -9.856   2.614  -7.486  1.00  9.400          H  
ATOM    558 1HG  PRO A  38      -8.331   3.196  -4.899  1.00  9.400          H  
ATOM    559 2HG  PRO A  38      -8.264   1.762  -5.924  1.00  9.400          H  
ATOM    560 1HD  PRO A  38      -6.392   3.760  -6.050  1.00  9.400          H  
ATOM    561 2HD  PRO A  38      -6.842   2.736  -7.464  1.00  9.400          H  
ATOM    562  N   SER A  39      -8.779   6.368  -5.481  1.00  6.410          N  
ATOM    563  CA  SER A  39      -9.072   7.332  -4.430  1.00  7.270          C  
ATOM    564  C   SER A  39      -7.821   8.147  -4.103  1.00  8.120          C  
ATOM    565  O   SER A  39      -7.806   9.367  -4.282  1.00  8.740          O  
ATOM    566  OXT SER A  39      -6.756   7.552  -3.926  1.00 10.900          O  
ATOM    567  CB  SER A  39      -9.567   6.608  -3.186  1.00  9.300          C  
ATOM    568  OG  SER A  39      -9.840   7.504  -2.137  1.00  9.300          O  
ATOM    569  H   SER A  39      -7.812   6.183  -5.687  1.00  7.690          H  
ATOM    570  HA  SER A  39      -9.848   8.011  -4.784  1.00  8.720          H  
ATOM    571 1HB  SER A  39     -10.470   6.046  -3.426  1.00 11.160          H  
ATOM    572 2HB  SER A  39      -8.816   5.889  -2.867  1.00 11.160          H  
ATOM    573  HG  SER A  39     -10.127   6.965  -1.401  1.00 11.160          H  
TER                                                                             
# All scores below are weighted scores, not raw scores.
#BEGIN_POSE_ENERGIES_TABLE model01_0001.pdb
label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro cart_bonded total
weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 0.5 NA
pose -174.381 21.6001 132.115 -10.4023 3.14245 7.35323 66.2114 -70.4758 -0.21936 -1.42678 -45.6829 -9.07034 -22.0699 0 -7.57758 0 0 5.43787 1.49532 17.5684 31.7929 -11.0307 8.89265 -22.1967 -3.64893 47.4075 -35.1656
HIS:NtermProteinFull_1 -6.57366 0.7192 8.24827 -0.50314 0.04371 0.36024 4.22044 -3.59462 -0.02857 -0.15807 -6.1369 -0.89206 0 0 -1.21213 0 0 0.04858 0.0001 0 2.42196 0 0 -0.45461 0 0.07418 -3.41709
GLY_2 -1.39485 0.15309 1.78192 -4e-05 0 0 0.59906 -0.86086 -0 -0 0.15265 -0.39503 0 0 0 0 0 -0.20214 0 0 0 0.36215 0 0.83697 0.1944 0.23747 1.4648
GLU_3 -2.80841 0.24502 2.97307 -0.22683 0.04113 0.35035 1.41417 -1.40943 -0 -0 -0.98299 -0.59397 0 0 -1.21213 0 0 -0.07392 0.04053 0 2.89855 -0.06593 0 -2.7348 0.00922 0.29398 -1.84241
GLY_4 -1.56565 0.12683 2.18013 -5e-05 0 0 1.06052 -1.07207 -0 -0 -1.27959 -0.39095 0 0 0 0 0 -0.18526 0 0 0 -1.48026 0 0.83697 -0.66982 0.21773 -2.22147
THR_5 -5.19915 0.33482 4.67627 -0.1152 0.11459 0.07528 2.52925 -2.2437 -0.0102 -0.08292 -1.09709 -0.97968 0 0 -0.67182 0 0 -0.00838 0.24441 0.197 0 -0.64137 2.34989 -1.0874 -0.40575 0.23849 -1.78266
PHE_6 -8.23631 0.91241 3.003 -0.64436 0.05212 0.35546 1.67888 -2.09876 -0 -0 -0.78494 0.02211 0 0 0 0 0 0.02183 0.00084 0 1.98943 -0.23469 0 1.0402 -0.12007 0.29571 -2.74715
THR_7 -4.1731 0.36274 3.64947 -0.20352 0.17304 0.07643 1.41335 -1.67857 -0 -0 -0.61164 -0.69881 0 0 -0.67182 0 0 -0.04609 0.00589 0.08057 0 0.09673 2.35986 -1.0874 0.11663 0.3064 -0.52983
SER_8 -2.47233 0.21402 3.00079 -0.03401 0.01523 0.06177 0.53284 -1.35223 -0.01906 -0.07802 0.38085 -0.68669 0 0 0 0 0 0.03097 0.00762 0.47156 0 0.01018 0.613 -0.77834 0.33154 0.27295 0.52264
ASP_9 -4.66559 0.40511 6.4323 -0.0974 0.00269 0.31031 3.26149 -2.74038 -0.00069 -0.00287 -4.14934 0.08782 0 0 0 0 0 6.26599 0.02693 0 2.08847 0.15673 0 -2.3716 0.23954 12.6159 17.8655
LEU_10 -8.68021 1.31109 3.97491 -0.61875 0.25755 0.16542 2.50967 -2.79299 -0 -0 -1.85278 0.21098 0 0 0 0 0 -0.05339 0.07087 1.58775 0 -0.30836 0 0.18072 0.02495 13.3682 9.35565
SER_11 -2.72335 0.25382 2.72898 -0.02781 0 0.0439 1.07577 -1.38728 -0 -0 0.31759 -1.02398 0 0 0 0 0 -0.01808 0.00644 0.18445 0 -0.12467 0.62367 -0.77834 -0.55635 0.92277 -0.48244
LYS_12 -2.58758 0.22712 3.00106 -0.31718 0.04142 0.1743 1.17886 -1.36468 -0 -0 -0.55912 -0.21208 0 0 0 0 0 -0.0488 0.00589 1.77445 0 -0.09077 0 -1.5107 -0.61585 0.13506 -0.76859
GLN_13 -5.39555 0.42762 3.95692 -0.63248 0.08216 0.69222 2.0243 -2.06436 -0 -0 -0.8772 -0.61912 0 0 0 0 0 -0.02046 0.01615 0 2.30976 -0.17223 0 -0.18838 -0.13801 0.59681 -0.00185
MET_14 -5.31794 0.60988 3.09265 -0.46841 0.21207 0.18266 1.59558 -1.81301 -0 -0 -0.50882 -0.27359 0 0 0 0 0 -0.15089 0.04401 1.58694 0 0.21524 0 0.60916 0.72881 1.10415 1.4485
GLU_15 -2.22519 0.11075 2.84036 -0.22157 0.03289 0.31969 1.42456 -1.27071 -0 -0 -1.44735 -0.58631 0 0 -0.75558 0 0 0.02373 0.00093 0 3.01307 -0.33282 0 -2.7348 0.28865 0.71109 -0.80862
GLU_16 -5.3856 0.72546 6.43807 -0.61687 0.10074 0.93263 3.64659 -2.97706 -0 -0 -3.86962 -1.28651 0 0 -1.14926 0 0 -0.02778 0.39638 0 3.53819 0.10189 0 -2.7348 -0.36922 0.51357 -2.02319
GLU_17 -3.75894 0.28471 4.50327 -0.21766 0.02833 0.30259 1.09144 -1.91366 -0.02726 -0.15495 -0.12473 -0.58073 0 0 0 0 0 -0.02049 0.00377 0 3.05649 -0.31089 0 -2.7348 -0.38272 0.43219 -0.52403
ALA_18 -2.34215 0.24577 2.45077 -0.02525 0.00067 0 1.17162 -1.23701 -0 -0 -1.17449 -0.39193 0 0 -1.14926 0 0 0.01139 0 0 0 -0.08664 0 1.8394 -0.7207 0.23872 -1.1691
VAL_19 -7.43399 1.38498 3.44092 -0.38755 0.38365 0.0978 3.29655 -2.55822 -0.00028 -0.00432 -2.62166 -0.23868 0 0 0 0 0 -0.00122 0.02103 1.91738 0 -0.12792 0 1.9342 -0.29738 0.6805 -0.5142
ARG_20 -7.54869 0.84846 8.19589 -0.43751 0.03365 0.21681 3.77909 -3.57896 -0.02725 -0.15494 -3.68975 0.40801 0 0 -0.75558 0 0 -0.01008 0.271 2.19279 0 -0.23408 0 -1.2888 0.27837 0.96706 -0.53453
LEU_21 -5.6411 0.67969 3.94072 -0.49628 0.23998 0.12228 1.98245 -2.28698 -0.01833 -0.16278 -0.98005 0.23202 0 0 0 0 0 -0.05106 0.02218 0.27695 0 -0.30664 0 0.18072 -0.00474 0.67925 -1.59173
PHE_22 -10.4249 1.51812 2.93303 -0.65188 0.04444 0.32943 2.21452 -2.68146 -0 -0 -2.35957 0.06763 0 0 0 0 0 0.20203 0.01255 0 2.31222 0.04192 0 1.0402 -0.31299 0.42268 -5.29205
ILE_23 -10.6624 1.86955 4.52761 -0.63429 0.50852 0.12913 3.23459 -3.25421 -0.0033 -0.02344 -2.99059 0.4191 0 0 0 0 0 0.01912 0.04121 0.57258 0 -0.49919 0 0.73287 -0.0771 1.11019 -4.9801
GLU_24 -5.03103 0.23313 5.66699 -0.21477 0.03061 0.3039 2.564 -2.67767 -0.01861 -0.1671 -1.94623 -0.58848 0 0 0 0 0 -0.04816 0.01062 0 3.01858 -0.28983 0 -2.7348 -0.28157 1.03715 -1.13326
TRP_25 -10.0841 1.31227 3.88063 -0.69982 0.20606 0.40496 2.35629 -3.29594 -0 -0 -1.06629 -0.39786 0 0 0 0 0 0.02186 0.0144 0 3.04573 -0.01913 0 1.6906 -0.48738 0.43718 -2.68056
LEU_26 -8.43002 0.8359 4.62085 -0.66524 0.37234 0.17218 2.71092 -2.90932 -0 -0 -0.3948 0.3471 0 0 0 0 0 -0.03757 0.08667 2.66355 0 -0.21364 0 0.18072 0.06856 0.51188 -0.07992
LYS_27 -4.68906 0.25584 3.63026 -0.48407 0.07549 0.35252 1.44823 -1.8546 -0.01343 -0.08305 -0.70077 0.12231 0 0 0 0 0 -0.03665 0.00311 2.3699 0 -0.01991 0 -1.5107 0.11325 0.30379 -0.71755
ASN_28 -2.53345 0.15255 2.98625 -0.19733 0.03943 0.31999 0.98309 -1.38563 -0.01673 -0.1065 -1.48495 -0.47507 0 0 0 0 0 -0.04638 0.06505 0 2.10044 -0.62113 0 -0.93687 -0.44901 0.36439 -1.24185
GLY_29 -2.06962 0.07348 2.8064 -0.00119 0 0 1.52657 -1.38218 -0 -0 -0.19811 -0.33287 0 0 0 0 0 -0.06863 0 0 0 -1.52684 0 0.83697 -0.0429 0.45255 0.07365
GLY_30 -2.09828 0.338 2.7633 -0.0004 0 0 1.61899 -1.34416 -0 -0 -1.00807 -0.25019 0 0 0 0 0 -0.0037 0 0 0 0.35265 0 0.83697 0.25108 0.75173 2.20794
PRO_31 -3.67262 0.63822 1.65419 -0.08649 9e-05 0.05375 0.83166 -0.92866 -0.00195 -0.03399 -0.18831 0.70235 0 0 0 0 0 -0.14591 0.0035 0.55554 0 -0.37463 0 -2.4119 -0.28971 0.72798 -2.96688
SER_32 -1.58863 0.21745 1.99238 -0.03015 0.00029 0.04952 0.66915 -0.94574 -0.01589 -0.08992 0.47531 -1.05747 0 0 0 0 0 -0.06131 0.00559 0.16182 0 -0.36163 0.60862 -0.77834 -0.53319 0.1875 -1.09465
SER_33 -2.39023 0.27145 3.03729 -0.03967 0.00161 0.05509 1.57086 -1.4232 -0 -0 -1.85993 -0.35446 0 0 0 0 0 -0.01138 0.00227 0.28956 0 -0.29598 1.73705 -0.77834 -0.64733 0.20924 -0.62611
GLY_34 -2.52787 0.31124 1.58268 -0.0002 0 0 0.70689 -1.04348 -0.01589 -0.08992 -0.41649 -0.18323 0 0 0 0 0 -0.11541 0 0 0 -1.22775 0 0.83697 -0.17494 0.51472 -1.84269
ALA_35 -2.81156 0.69172 0.83664 -0.01971 0 0 0.72603 -0.91436 -0.00195 -0.03399 -0.10799 -0.2319 0 0 0 0 0 0.18317 0 0 0 0.32351 0 1.8394 0.7177 1.12842 2.32512
PRO_36 -1.9728 0.86232 1.11318 -0.13243 0.00072 0.09737 0.58833 -0.61582 -0 -0 -0.04137 0.18418 0 0 0 0 0 0.1812 0.01643 0.13341 0 -1.14323 0 -2.4119 0.35408 1.58937 -1.19695
PRO_37 -2.69675 0.73098 1.4882 -0.11218 0.00072 0.0832 0.50605 -0.72956 -0 -0 0.56569 0.28806 0 0 0 0 0 -0.05633 0.03718 0.05679 0 -1.31259 0 -2.4119 -0.052 1.56191 -2.05252
PRO_38 -3.40356 0.57056 0.76495 -0.10363 0.00642 0.06519 0.12074 -0.27417 -0 -0 0.16758 0.65356 0 0 0 0 0 -0.02255 0.01134 0.41407 0 -0.26894 0 -2.4119 0.1911 0.93719 -2.58203
SER:CtermProteinFull_39 -1.16505 0.13468 1.32061 -0.03693 0.0001 0.09685 0.34806 -0.52009 -0 -0 -0.23109 0.90609 0 0 0 0 0 0 0.00042 0.08137 0 0 0.60057 -0.77834 0.07191 0.2574 1.08655
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 702933 DOMAINID 692955 MODEL 5 exendin-4
MODEL     5
REMARK    Rerank model04.pdb to model05.pdb score: 15.407
REMARK    CLUSTER 0004 t000_.out.valid.rescored.best_scoring.binary cluster_size: 6 cluster_threshold: 3.961960
REMARK    SCORE     total_score:        -136.915
REMARK    SCORE        hbond_sc:          -3.278
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     description: cluster0004_0001
REMARK    SCORE atom_pair_constraint:         -64.990
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE angle_constraint:           0.000
REMARK    SCORE         p_aa_pp:         -12.156
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     rama_prepro:          -5.741
REMARK    SCORE fa_intra_sol_xover4:           6.680
REMARK    SCORE     hbond_sr_bb:         -16.496
REMARK    SCORE     hbond_lr_bb:          -4.276
REMARK    SCORE          fa_sol:         128.868
REMARK    SCORE dihedral_constraint:           0.000
REMARK    SCORE     hbond_bb_sc:          -7.670
REMARK    SCORE            time:           0.000
REMARK    SCORE           score:        -136.915
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE           omega:          -0.210
REMARK    SCORE     lk_ball_wtd:          -6.785
REMARK    SCORE             ref:          -3.176
REMARK    SCORE    fa_intra_rep:           0.310
REMARK    SCORE          fa_rep:          18.146
REMARK    SCORE         fa_elec:         -57.677
REMARK    SCORE          fa_dun:          47.058
REMARK    SCORE coordinate_constraint:           0.000
REMARK    SCORE     cart_bonded:          21.704
REMARK    SCORE          fa_atr:        -177.225
ATOM      1  N   HIS A   1       0.416  -0.373  -0.690  1.00  3.660          N  
ATOM      2  CA  HIS A   1       1.689   0.088  -0.169  1.00  3.120          C  
ATOM      3  C   HIS A   1       1.765   1.608  -0.112  1.00  3.280          C  
ATOM      4  O   HIS A   1       1.227   2.303  -0.973  1.00  3.630          O  
ATOM      5  CB  HIS A   1       2.826  -0.469  -1.020  1.00  4.580          C  
ATOM      6  CG  HIS A   1       4.174  -0.235  -0.462  1.00  4.580          C  
ATOM      7  ND1 HIS A   1       4.817   0.978  -0.559  1.00  4.580          N  
ATOM      8  CD2 HIS A   1       5.012  -1.060   0.198  1.00  4.580          C  
ATOM      9  CE1 HIS A   1       6.008   0.880   0.026  1.00  4.580          C  
ATOM     10  NE2 HIS A   1       6.142  -0.347   0.491  1.00  4.580          N  
ATOM     11 1H   HIS A   1       0.614  -1.225  -1.197  1.00  4.390          H  
ATOM     12 2H   HIS A   1      -0.212  -0.599   0.068  1.00  4.390          H  
ATOM     13 3H   HIS A   1      -0.039   0.300  -1.302  1.00  4.390          H  
ATOM     14  HA  HIS A   1       1.812  -0.284   0.846  1.00  3.740          H  
ATOM     15 1HB  HIS A   1       2.686  -1.540  -1.171  1.00  5.500          H  
ATOM     16 2HB  HIS A   1       2.785   0.002  -1.990  1.00  5.500          H  
ATOM     17  HD2 HIS A   1       4.821  -2.099   0.450  1.00  5.500          H  
ATOM     18  HE1 HIS A   1       6.754   1.668   0.109  1.00  5.500          H  
ATOM     19  HE2 HIS A   1       6.950  -0.710   0.984  1.00  5.500          H  
ATOM     20  N   GLY A   2       2.463   2.127   0.893  1.00  3.220          N  
ATOM     21  CA  GLY A   2       2.571   3.570   1.135  1.00  3.540          C  
ATOM     22  C   GLY A   2       3.058   4.395  -0.060  1.00  3.370          C  
ATOM     23  O   GLY A   2       2.659   5.552  -0.211  1.00  3.810          O  
ATOM     24  H   GLY A   2       2.897   1.510   1.566  1.00  3.860          H  
ATOM     25 1HA  GLY A   2       1.602   3.944   1.463  1.00  4.250          H  
ATOM     26 2HA  GLY A   2       3.253   3.727   1.970  1.00  4.250          H  
ATOM     27  N   GLU A   3       3.883   3.815  -0.935  1.00  2.960          N  
ATOM     28  CA  GLU A   3       4.393   4.537  -2.099  1.00  2.920          C  
ATOM     29  C   GLU A   3       3.446   4.508  -3.304  1.00  2.920          C  
ATOM     30  O   GLU A   3       3.789   5.003  -4.379  1.00  3.090          O  
ATOM     31  CB  GLU A   3       5.780   4.016  -2.496  1.00  4.100          C  
ATOM     32  CG  GLU A   3       6.874   4.311  -1.460  1.00  4.100          C  
ATOM     33  CD  GLU A   3       8.233   3.763  -1.830  1.00  4.100          C  
ATOM     34  OE1 GLU A   3       8.366   3.197  -2.888  1.00  4.100          O  
ATOM     35  OE2 GLU A   3       9.137   3.910  -1.042  1.00  4.100          O  
ATOM     36  H   GLU A   3       4.210   2.855  -0.779  1.00  3.550          H  
ATOM     37  HA  GLU A   3       4.516   5.581  -1.811  1.00  3.500          H  
ATOM     38 1HB  GLU A   3       5.734   2.934  -2.635  1.00  4.920          H  
ATOM     39 2HB  GLU A   3       6.082   4.455  -3.445  1.00  4.920          H  
ATOM     40 1HG  GLU A   3       6.955   5.393  -1.355  1.00  4.920          H  
ATOM     41 2HG  GLU A   3       6.567   3.916  -0.499  1.00  4.920          H  
ATOM     42  N   GLY A   4       2.264   3.901  -3.149  1.00  3.040          N  
ATOM     43  CA  GLY A   4       1.272   3.810  -4.224  1.00  3.520          C  
ATOM     44  C   GLY A   4       1.469   2.590  -5.114  1.00  3.400          C  
ATOM     45  O   GLY A   4       0.788   2.429  -6.131  1.00  3.820          O  
ATOM     46  H   GLY A   4       2.013   3.499  -2.243  1.00  3.650          H  
ATOM     47 1HA  GLY A   4       0.275   3.769  -3.777  1.00  4.220          H  
ATOM     48 2HA  GLY A   4       1.310   4.713  -4.827  1.00  4.220          H  
ATOM     49  N   THR A   5       2.406   1.741  -4.731  1.00  3.090          N  
ATOM     50  CA  THR A   5       2.705   0.528  -5.472  1.00  3.180          C  
ATOM     51  C   THR A   5       2.028  -0.687  -4.909  1.00  2.480          C  
ATOM     52  O   THR A   5       1.284  -0.624  -3.930  1.00  2.600          O  
ATOM     53  CB  THR A   5       4.215   0.241  -5.542  1.00  4.420          C  
ATOM     54  OG1 THR A   5       4.437  -0.875  -6.449  1.00  4.420          O  
ATOM     55  CG2 THR A   5       4.789  -0.093  -4.151  1.00  4.420          C  
ATOM     56  H   THR A   5       2.921   1.986  -3.898  1.00  3.710          H  
ATOM     57  HA  THR A   5       2.344   0.658  -6.495  1.00  3.820          H  
ATOM     58  HB  THR A   5       4.721   1.124  -5.935  1.00  5.300          H  
ATOM     59  HG1 THR A   5       5.361  -0.842  -6.757  1.00  5.300          H  
ATOM     60 1HG2 THR A   5       5.857  -0.282  -4.238  1.00  5.300          H  
ATOM     61 2HG2 THR A   5       4.629   0.751  -3.483  1.00  5.300          H  
ATOM     62 3HG2 THR A   5       4.308  -0.976  -3.738  1.00  5.300          H  
ATOM     63  N   PHE A   6       2.262  -1.803  -5.582  1.00  2.280          N  
ATOM     64  CA  PHE A   6       1.693  -3.088  -5.205  1.00  2.040          C  
ATOM     65  C   PHE A   6       2.754  -4.115  -4.864  1.00  2.280          C  
ATOM     66  O   PHE A   6       2.451  -5.129  -4.231  1.00  2.610          O  
ATOM     67  CB  PHE A   6       0.868  -3.689  -6.349  1.00  2.950          C  
ATOM     68  CG  PHE A   6      -0.298  -2.873  -6.888  1.00  2.950          C  
ATOM     69  CD1 PHE A   6      -0.765  -3.133  -8.164  1.00  2.950          C  
ATOM     70  CD2 PHE A   6      -0.910  -1.856  -6.170  1.00  2.950          C  
ATOM     71  CE1 PHE A   6      -1.797  -2.398  -8.700  1.00  2.950          C  
ATOM     72  CE2 PHE A   6      -1.932  -1.128  -6.704  1.00  2.950          C  
ATOM     73  CZ  PHE A   6      -2.371  -1.395  -7.970  1.00  2.950          C  
ATOM     74  H   PHE A   6       2.884  -1.722  -6.381  1.00  2.740          H  
ATOM     75  HA  PHE A   6       1.069  -2.950  -4.324  1.00  2.450          H  
ATOM     76 1HB  PHE A   6       1.538  -3.892  -7.181  1.00  3.540          H  
ATOM     77 2HB  PHE A   6       0.480  -4.649  -6.026  1.00  3.540          H  
ATOM     78  HD1 PHE A   6      -0.298  -3.928  -8.751  1.00  3.540          H  
ATOM     79  HD2 PHE A   6      -0.572  -1.621  -5.183  1.00  3.540          H  
ATOM     80  HE1 PHE A   6      -2.150  -2.611  -9.712  1.00  3.540          H  
ATOM     81  HE2 PHE A   6      -2.387  -0.333  -6.123  1.00  3.540          H  
ATOM     82  HZ  PHE A   6      -3.165  -0.807  -8.399  1.00  3.540          H  
ATOM     83  N   THR A   7       4.008  -3.849  -5.259  1.00  2.790          N  
ATOM     84  CA  THR A   7       5.081  -4.849  -5.219  1.00  3.280          C  
ATOM     85  C   THR A   7       5.098  -5.772  -3.999  1.00  3.260          C  
ATOM     86  O   THR A   7       5.111  -6.994  -4.166  1.00  3.440          O  
ATOM     87  CB  THR A   7       6.457  -4.155  -5.343  1.00  4.400          C  
ATOM     88  OG1 THR A   7       6.526  -3.439  -6.593  1.00  4.400          O  
ATOM     89  CG2 THR A   7       7.569  -5.202  -5.324  1.00  4.400          C  
ATOM     90  H   THR A   7       4.225  -2.952  -5.692  1.00  3.350          H  
ATOM     91  HA  THR A   7       4.969  -5.476  -6.101  1.00  3.940          H  
ATOM     92  HB  THR A   7       6.592  -3.455  -4.520  1.00  5.280          H  
ATOM     93  HG1 THR A   7       7.306  -2.873  -6.593  1.00  5.280          H  
ATOM     94 1HG2 THR A   7       8.530  -4.703  -5.426  1.00  5.280          H  
ATOM     95 2HG2 THR A   7       7.559  -5.760  -4.388  1.00  5.280          H  
ATOM     96 3HG2 THR A   7       7.428  -5.892  -6.155  1.00  5.280          H  
ATOM     97  N   SER A   8       5.025  -5.231  -2.792  1.00  3.510          N  
ATOM     98  CA  SER A   8       5.142  -6.057  -1.590  1.00  3.910          C  
ATOM     99  C   SER A   8       4.111  -7.183  -1.496  1.00  3.510          C  
ATOM    100  O   SER A   8       4.411  -8.250  -0.953  1.00  3.860          O  
ATOM    101  CB  SER A   8       5.031  -5.188  -0.354  1.00  5.310          C  
ATOM    102  OG  SER A   8       6.115  -4.303  -0.258  1.00  5.310          O  
ATOM    103  H   SER A   8       4.957  -4.231  -2.705  1.00  4.210          H  
ATOM    104  HA  SER A   8       6.132  -6.513  -1.598  1.00  4.690          H  
ATOM    105 1HB  SER A   8       4.096  -4.626  -0.391  1.00  6.380          H  
ATOM    106 2HB  SER A   8       4.993  -5.824   0.529  1.00  6.380          H  
ATOM    107  HG  SER A   8       6.015  -3.857   0.587  1.00  6.380          H  
ATOM    108  N   ASP A   9       2.889  -6.939  -1.984  1.00  3.050          N  
ATOM    109  CA  ASP A   9       1.808  -7.909  -1.943  1.00  2.870          C  
ATOM    110  C   ASP A   9       1.381  -8.302  -3.356  1.00  2.140          C  
ATOM    111  O   ASP A   9       0.285  -8.816  -3.576  1.00  2.180          O  
ATOM    112  CB  ASP A   9       0.602  -7.356  -1.186  1.00  4.090          C  
ATOM    113  CG  ASP A   9       0.800  -7.144   0.374  1.00  4.090          C  
ATOM    114  OD1 ASP A   9       1.454  -7.959   1.018  1.00  4.090          O  
ATOM    115  OD2 ASP A   9       0.256  -6.175   0.908  1.00  4.090          O  
ATOM    116  H   ASP A   9       2.702  -6.054  -2.460  1.00  3.660          H  
ATOM    117  HA  ASP A   9       2.161  -8.806  -1.433  1.00  3.440          H  
ATOM    118 1HB  ASP A   9       0.342  -6.404  -1.635  1.00  4.910          H  
ATOM    119 2HB  ASP A   9      -0.239  -8.021  -1.343  1.00  4.910          H  
ATOM    120  N   LEU A  10       2.224  -8.034  -4.342  1.00  1.730          N  
ATOM    121  CA  LEU A  10       1.855  -8.300  -5.727  1.00  1.650          C  
ATOM    122  C   LEU A  10       1.605  -9.777  -5.969  1.00  1.520          C  
ATOM    123  O   LEU A  10       0.699 -10.163  -6.710  1.00  1.480          O  
ATOM    124  CB  LEU A  10       2.932  -7.747  -6.667  1.00  2.340          C  
ATOM    125  CG  LEU A  10       2.697  -7.836  -8.203  1.00  2.340          C  
ATOM    126  CD1 LEU A  10       1.413  -7.080  -8.599  1.00  2.340          C  
ATOM    127  CD2 LEU A  10       3.912  -7.217  -8.901  1.00  2.340          C  
ATOM    128  H   LEU A  10       3.143  -7.632  -4.144  1.00  2.080          H  
ATOM    129  HA  LEU A  10       0.933  -7.764  -5.917  1.00  1.980          H  
ATOM    130 1HB  LEU A  10       3.038  -6.701  -6.432  1.00  2.810          H  
ATOM    131 2HB  LEU A  10       3.879  -8.239  -6.436  1.00  2.810          H  
ATOM    132  HG  LEU A  10       2.590  -8.878  -8.505  1.00  2.810          H  
ATOM    133 1HD1 LEU A  10       1.274  -7.142  -9.677  1.00  2.810          H  
ATOM    134 2HD1 LEU A  10       0.550  -7.526  -8.110  1.00  2.810          H  
ATOM    135 3HD1 LEU A  10       1.494  -6.040  -8.306  1.00  2.810          H  
ATOM    136 1HD2 LEU A  10       3.779  -7.271  -9.983  1.00  2.810          H  
ATOM    137 2HD2 LEU A  10       4.016  -6.174  -8.600  1.00  2.810          H  
ATOM    138 3HD2 LEU A  10       4.811  -7.766  -8.619  1.00  2.810          H  
ATOM    139  N   SER A  11       2.383 -10.624  -5.304  1.00  1.950          N  
ATOM    140  CA  SER A  11       2.301 -12.069  -5.442  1.00  2.390          C  
ATOM    141  C   SER A  11       1.019 -12.646  -4.846  1.00  2.110          C  
ATOM    142  O   SER A  11       0.725 -13.829  -5.023  1.00  2.160          O  
ATOM    143  CB  SER A  11       3.510 -12.710  -4.789  1.00  3.170          C  
ATOM    144  OG  SER A  11       3.493 -12.519  -3.400  1.00  3.170          O  
ATOM    145  H   SER A  11       3.090 -10.260  -4.677  1.00  2.340          H  
ATOM    146  HA  SER A  11       2.317 -12.309  -6.506  1.00  2.870          H  
ATOM    147 1HB  SER A  11       3.520 -13.777  -5.012  1.00  3.800          H  
ATOM    148 2HB  SER A  11       4.417 -12.279  -5.207  1.00  3.800          H  
ATOM    149  HG  SER A  11       4.321 -12.888  -3.071  1.00  3.800          H  
ATOM    150  N   LYS A  12       0.267 -11.832  -4.104  1.00  2.250          N  
ATOM    151  CA  LYS A  12      -0.959 -12.277  -3.477  1.00  2.660          C  
ATOM    152  C   LYS A  12      -2.181 -11.978  -4.360  1.00  2.250          C  
ATOM    153  O   LYS A  12      -3.280 -12.483  -4.111  1.00  2.640          O  
ATOM    154  CB  LYS A  12      -1.078 -11.593  -2.120  1.00  3.560          C  
ATOM    155  CG  LYS A  12       0.052 -11.969  -1.157  1.00  3.560          C  
ATOM    156  CD  LYS A  12      -0.023 -11.173   0.133  1.00  3.560          C  
ATOM    157  CE  LYS A  12       1.157 -11.489   1.053  1.00  3.560          C  
ATOM    158  NZ  LYS A  12       1.212 -10.563   2.225  1.00  3.560          N  
ATOM    159  H   LYS A  12       0.526 -10.848  -3.993  1.00  2.700          H  
ATOM    160  HA  LYS A  12      -0.902 -13.356  -3.335  1.00  3.190          H  
ATOM    161 1HB  LYS A  12      -1.082 -10.511  -2.252  1.00  4.270          H  
ATOM    162 2HB  LYS A  12      -2.010 -11.874  -1.649  1.00  4.270          H  
ATOM    163 1HG  LYS A  12      -0.004 -13.034  -0.933  1.00  4.270          H  
ATOM    164 2HG  LYS A  12       1.013 -11.768  -1.638  1.00  4.270          H  
ATOM    165 1HD  LYS A  12      -0.004 -10.111  -0.095  1.00  4.270          H  
ATOM    166 2HD  LYS A  12      -0.954 -11.398   0.651  1.00  4.270          H  
ATOM    167 1HE  LYS A  12       1.064 -12.512   1.413  1.00  4.270          H  
ATOM    168 2HE  LYS A  12       2.085 -11.394   0.487  1.00  4.270          H  
ATOM    169 1HZ  LYS A  12       2.003 -10.788   2.805  1.00  4.270          H  
ATOM    170 2HZ  LYS A  12       1.315  -9.585   1.866  1.00  4.270          H  
ATOM    171 3HZ  LYS A  12       0.368 -10.629   2.766  1.00  4.270          H  
ATOM    172  N   GLN A  13      -2.001 -11.182  -5.423  1.00  1.870          N  
ATOM    173  CA  GLN A  13      -3.120 -10.767  -6.272  1.00  2.280          C  
ATOM    174  C   GLN A  13      -3.397 -11.821  -7.338  1.00  1.850          C  
ATOM    175  O   GLN A  13      -3.213 -11.586  -8.531  1.00  2.250          O  
ATOM    176  CB  GLN A  13      -2.766  -9.403  -6.914  1.00  3.030          C  
ATOM    177  CG  GLN A  13      -2.652  -8.270  -5.917  1.00  3.030          C  
ATOM    178  CD  GLN A  13      -2.266  -6.931  -6.500  1.00  3.030          C  
ATOM    179  OE1 GLN A  13      -1.123  -6.505  -6.399  1.00  3.030          O  
ATOM    180  NE2 GLN A  13      -3.216  -6.258  -7.106  1.00  3.030          N  
ATOM    181  H   GLN A  13      -1.063 -10.846  -5.661  1.00  2.240          H  
ATOM    182  HA  GLN A  13      -4.013 -10.658  -5.660  1.00  2.740          H  
ATOM    183 1HB  GLN A  13      -1.803  -9.487  -7.425  1.00  3.630          H  
ATOM    184 2HB  GLN A  13      -3.492  -9.123  -7.642  1.00  3.630          H  
ATOM    185 1HG  GLN A  13      -3.615  -8.156  -5.509  1.00  3.630          H  
ATOM    186 2HG  GLN A  13      -1.929  -8.536  -5.140  1.00  3.630          H  
ATOM    187 1HE2 GLN A  13      -3.006  -5.363  -7.512  1.00  3.630          H  
ATOM    188 2HE2 GLN A  13      -4.148  -6.628  -7.165  1.00  3.630          H  
ATOM    189  N   MET A  14      -3.844 -12.988  -6.876  1.00  1.740          N  
ATOM    190  CA  MET A  14      -4.035 -14.159  -7.734  1.00  2.420          C  
ATOM    191  C   MET A  14      -5.467 -14.435  -8.203  1.00  2.020          C  
ATOM    192  O   MET A  14      -5.683 -14.884  -9.330  1.00  2.550          O  
ATOM    193  CB  MET A  14      -3.515 -15.380  -6.986  1.00  3.120          C  
ATOM    194  CG  MET A  14      -1.995 -15.390  -6.691  1.00  3.120          C  
ATOM    195  SD  MET A  14      -0.924 -15.403  -8.157  1.00  3.120          S  
ATOM    196  CE  MET A  14      -0.393 -13.694  -8.322  1.00  3.120          C  
ATOM    197  H   MET A  14      -3.965 -13.042  -5.861  1.00  2.090          H  
ATOM    198  HA  MET A  14      -3.438 -14.015  -8.632  1.00  2.900          H  
ATOM    199 1HB  MET A  14      -4.027 -15.453  -6.029  1.00  3.740          H  
ATOM    200 2HB  MET A  14      -3.757 -16.279  -7.552  1.00  3.740          H  
ATOM    201 1HG  MET A  14      -1.744 -14.502  -6.105  1.00  3.740          H  
ATOM    202 2HG  MET A  14      -1.752 -16.261  -6.083  1.00  3.740          H  
ATOM    203 1HE  MET A  14       0.277 -13.603  -9.171  1.00  3.740          H  
ATOM    204 2HE  MET A  14      -1.235 -13.060  -8.480  1.00  3.740          H  
ATOM    205 3HE  MET A  14       0.121 -13.384  -7.429  1.00  3.740          H  
ATOM    206  N   GLU A  15      -6.440 -14.217  -7.331  1.00  1.590          N  
ATOM    207  CA  GLU A  15      -7.842 -14.525  -7.617  1.00  1.970          C  
ATOM    208  C   GLU A  15      -8.578 -13.261  -7.991  1.00  1.400          C  
ATOM    209  O   GLU A  15      -8.253 -12.198  -7.477  1.00  1.400          O  
ATOM    210  CB  GLU A  15      -8.491 -15.180  -6.399  1.00  2.610          C  
ATOM    211  CG  GLU A  15      -7.891 -16.534  -6.024  1.00  2.610          C  
ATOM    212  CD  GLU A  15      -8.552 -17.151  -4.818  1.00  2.610          C  
ATOM    213  OE1 GLU A  15      -9.355 -16.488  -4.211  1.00  2.610          O  
ATOM    214  OE2 GLU A  15      -8.255 -18.282  -4.508  1.00  2.610          O  
ATOM    215  H   GLU A  15      -6.200 -13.827  -6.434  1.00  1.910          H  
ATOM    216  HA  GLU A  15      -7.888 -15.216  -8.461  1.00  2.360          H  
ATOM    217 1HB  GLU A  15      -8.397 -14.519  -5.540  1.00  3.130          H  
ATOM    218 2HB  GLU A  15      -9.558 -15.320  -6.588  1.00  3.130          H  
ATOM    219 1HG  GLU A  15      -7.996 -17.210  -6.872  1.00  3.130          H  
ATOM    220 2HG  GLU A  15      -6.827 -16.406  -5.829  1.00  3.130          H  
ATOM    221  N   GLU A  16      -9.623 -13.336  -8.807  1.00  1.880          N  
ATOM    222  CA  GLU A  16     -10.315 -12.099  -9.172  1.00  2.130          C  
ATOM    223  C   GLU A  16     -10.773 -11.244  -7.990  1.00  1.960          C  
ATOM    224  O   GLU A  16     -10.595 -10.022  -8.018  1.00  2.130          O  
ATOM    225  CB  GLU A  16     -11.520 -12.380 -10.060  1.00  2.880          C  
ATOM    226  CG  GLU A  16     -12.262 -11.107 -10.491  1.00  2.880          C  
ATOM    227  CD  GLU A  16     -13.387 -11.358 -11.431  1.00  2.880          C  
ATOM    228  OE1 GLU A  16     -13.559 -12.478 -11.848  1.00  2.880          O  
ATOM    229  OE2 GLU A  16     -14.097 -10.413 -11.728  1.00  2.880          O  
ATOM    230  H   GLU A  16      -9.910 -14.225  -9.204  1.00  2.260          H  
ATOM    231  HA  GLU A  16      -9.614 -11.497  -9.753  1.00  2.560          H  
ATOM    232 1HB  GLU A  16     -11.201 -12.913 -10.956  1.00  3.460          H  
ATOM    233 2HB  GLU A  16     -12.225 -13.020  -9.524  1.00  3.460          H  
ATOM    234 1HG  GLU A  16     -12.673 -10.621  -9.606  1.00  3.460          H  
ATOM    235 2HG  GLU A  16     -11.553 -10.416 -10.949  1.00  3.460          H  
ATOM    236  N   GLU A  17     -11.345 -11.852  -6.949  1.00  2.070          N  
ATOM    237  CA  GLU A  17     -11.807 -11.047  -5.827  1.00  2.160          C  
ATOM    238  C   GLU A  17     -10.625 -10.397  -5.123  1.00  1.560          C  
ATOM    239  O   GLU A  17     -10.669  -9.213  -4.773  1.00  1.750          O  
ATOM    240  CB  GLU A  17     -12.602 -11.917  -4.855  1.00  2.990          C  
ATOM    241  CG  GLU A  17     -13.922 -12.448  -5.430  1.00  2.990          C  
ATOM    242  CD  GLU A  17     -13.724 -13.627  -6.356  1.00  2.990          C  
ATOM    243  OE1 GLU A  17     -12.610 -14.104  -6.443  1.00  2.990          O  
ATOM    244  OE2 GLU A  17     -14.670 -14.048  -6.970  1.00  2.990          O  
ATOM    245  H   GLU A  17     -11.495 -12.865  -6.947  1.00  2.480          H  
ATOM    246  HA  GLU A  17     -12.455 -10.259  -6.210  1.00  2.590          H  
ATOM    247 1HB  GLU A  17     -11.995 -12.767  -4.543  1.00  3.590          H  
ATOM    248 2HB  GLU A  17     -12.837 -11.337  -3.961  1.00  3.590          H  
ATOM    249 1HG  GLU A  17     -14.573 -12.747  -4.609  1.00  3.590          H  
ATOM    250 2HG  GLU A  17     -14.414 -11.644  -5.976  1.00  3.590          H  
ATOM    251  N   ALA A  18      -9.551 -11.175  -4.950  1.00  1.390          N  
ATOM    252  CA  ALA A  18      -8.338 -10.683  -4.317  1.00  1.570          C  
ATOM    253  C   ALA A  18      -7.741  -9.546  -5.113  1.00  1.440          C  
ATOM    254  O   ALA A  18      -7.383  -8.518  -4.553  1.00  1.490          O  
ATOM    255  CB  ALA A  18      -7.310 -11.798  -4.218  1.00  2.130          C  
ATOM    256  H   ALA A  18      -9.609 -12.139  -5.248  1.00  1.670          H  
ATOM    257  HA  ALA A  18      -8.588 -10.318  -3.321  1.00  1.880          H  
ATOM    258 1HB  ALA A  18      -6.420 -11.430  -3.745  1.00  2.550          H  
ATOM    259 2HB  ALA A  18      -7.718 -12.620  -3.636  1.00  2.550          H  
ATOM    260 3HB  ALA A  18      -7.065 -12.145  -5.213  1.00  2.550          H  
ATOM    261  N   VAL A  19      -7.730  -9.667  -6.434  1.00  1.420          N  
ATOM    262  CA  VAL A  19      -7.149  -8.637  -7.266  1.00  1.530          C  
ATOM    263  C   VAL A  19      -7.922  -7.352  -7.111  1.00  1.190          C  
ATOM    264  O   VAL A  19      -7.325  -6.291  -6.927  1.00  1.200          O  
ATOM    265  CB  VAL A  19      -7.142  -9.063  -8.755  1.00  2.100          C  
ATOM    266  CG1 VAL A  19      -6.731  -7.883  -9.648  1.00  2.100          C  
ATOM    267  CG2 VAL A  19      -6.152 -10.220  -8.970  1.00  2.100          C  
ATOM    268  H   VAL A  19      -8.075 -10.530  -6.850  1.00  1.700          H  
ATOM    269  HA  VAL A  19      -6.123  -8.474  -6.946  1.00  1.840          H  
ATOM    270  HB  VAL A  19      -8.147  -9.383  -9.035  1.00  2.520          H  
ATOM    271 1HG1 VAL A  19      -6.737  -8.203 -10.687  1.00  2.520          H  
ATOM    272 2HG1 VAL A  19      -7.428  -7.057  -9.532  1.00  2.520          H  
ATOM    273 3HG1 VAL A  19      -5.729  -7.551  -9.375  1.00  2.520          H  
ATOM    274 1HG2 VAL A  19      -6.163 -10.523 -10.014  1.00  2.520          H  
ATOM    275 2HG2 VAL A  19      -5.178  -9.898  -8.716  1.00  2.520          H  
ATOM    276 3HG2 VAL A  19      -6.407 -11.061  -8.359  1.00  2.520          H  
ATOM    277  N   ARG A  20      -9.247  -7.427  -7.183  1.00  1.090          N  
ATOM    278  CA  ARG A  20     -10.047  -6.222  -7.073  1.00  1.140          C  
ATOM    279  C   ARG A  20      -9.866  -5.509  -5.730  1.00  0.990          C  
ATOM    280  O   ARG A  20      -9.686  -4.282  -5.701  1.00  1.140          O  
ATOM    281  CB  ARG A  20     -11.516  -6.567  -7.274  1.00  1.580          C  
ATOM    282  CG  ARG A  20     -11.895  -6.933  -8.714  1.00  1.580          C  
ATOM    283  CD  ARG A  20     -13.347  -7.284  -8.837  1.00  1.580          C  
ATOM    284  NE  ARG A  20     -13.708  -7.687 -10.205  1.00  1.580          N  
ATOM    285  CZ  ARG A  20     -14.009  -6.864 -11.223  1.00  1.580          C  
ATOM    286  NH1 ARG A  20     -14.002  -5.546 -11.089  1.00  1.580          N  
ATOM    287  NH2 ARG A  20     -14.317  -7.428 -12.371  1.00  1.580          N  
ATOM    288  H   ARG A  20      -9.685  -8.340  -7.346  1.00  1.310          H  
ATOM    289  HA  ARG A  20      -9.742  -5.544  -7.867  1.00  1.370          H  
ATOM    290 1HB  ARG A  20     -11.769  -7.423  -6.644  1.00  1.890          H  
ATOM    291 2HB  ARG A  20     -12.133  -5.730  -6.958  1.00  1.890          H  
ATOM    292 1HG  ARG A  20     -11.681  -6.089  -9.363  1.00  1.890          H  
ATOM    293 2HG  ARG A  20     -11.311  -7.792  -9.038  1.00  1.890          H  
ATOM    294 1HD  ARG A  20     -13.553  -8.130  -8.180  1.00  1.890          H  
ATOM    295 2HD  ARG A  20     -13.967  -6.441  -8.542  1.00  1.890          H  
ATOM    296  HE  ARG A  20     -13.757  -8.696 -10.432  1.00  1.890          H  
ATOM    297 1HH1 ARG A  20     -13.767  -5.125 -10.205  1.00  1.890          H  
ATOM    298 2HH1 ARG A  20     -14.235  -4.957 -11.877  1.00  1.890          H  
ATOM    299 1HH2 ARG A  20     -14.309  -8.460 -12.418  1.00  1.890          H  
ATOM    300 2HH2 ARG A  20     -14.554  -6.872 -13.175  1.00  1.890          H  
ATOM    301  N   LEU A  21      -9.867  -6.266  -4.623  1.00  1.020          N  
ATOM    302  CA  LEU A  21      -9.729  -5.635  -3.322  1.00  1.270          C  
ATOM    303  C   LEU A  21      -8.331  -5.145  -3.090  1.00  1.170          C  
ATOM    304  O   LEU A  21      -8.135  -4.041  -2.584  1.00  1.310          O  
ATOM    305  CB  LEU A  21     -10.035  -6.620  -2.193  1.00  1.680          C  
ATOM    306  CG  LEU A  21     -11.470  -7.128  -2.052  1.00  1.680          C  
ATOM    307  CD1 LEU A  21     -11.469  -8.203  -0.982  1.00  1.680          C  
ATOM    308  CD2 LEU A  21     -12.417  -5.983  -1.683  1.00  1.680          C  
ATOM    309  H   LEU A  21     -10.015  -7.280  -4.694  1.00  1.220          H  
ATOM    310  HA  LEU A  21     -10.391  -4.777  -3.277  1.00  1.520          H  
ATOM    311 1HB  LEU A  21      -9.398  -7.496  -2.340  1.00  2.010          H  
ATOM    312 2HB  LEU A  21      -9.750  -6.154  -1.248  1.00  2.010          H  
ATOM    313  HG  LEU A  21     -11.796  -7.580  -2.991  1.00  2.010          H  
ATOM    314 1HD1 LEU A  21     -12.477  -8.603  -0.866  1.00  2.010          H  
ATOM    315 2HD1 LEU A  21     -10.794  -9.008  -1.278  1.00  2.010          H  
ATOM    316 3HD1 LEU A  21     -11.137  -7.777  -0.036  1.00  2.010          H  
ATOM    317 1HD2 LEU A  21     -13.427  -6.376  -1.574  1.00  2.010          H  
ATOM    318 2HD2 LEU A  21     -12.104  -5.541  -0.756  1.00  2.010          H  
ATOM    319 3HD2 LEU A  21     -12.417  -5.225  -2.459  1.00  2.010          H  
ATOM    320  N   PHE A  22      -7.348  -5.940  -3.486  1.00  1.110          N  
ATOM    321  CA  PHE A  22      -5.974  -5.597  -3.239  1.00  1.280          C  
ATOM    322  C   PHE A  22      -5.638  -4.353  -4.017  1.00  1.100          C  
ATOM    323  O   PHE A  22      -4.964  -3.479  -3.496  1.00  1.200          O  
ATOM    324  CB  PHE A  22      -5.069  -6.768  -3.577  1.00  1.720          C  
ATOM    325  CG  PHE A  22      -5.253  -8.006  -2.640  1.00  1.720          C  
ATOM    326  CD1 PHE A  22      -6.132  -7.990  -1.522  1.00  1.720          C  
ATOM    327  CD2 PHE A  22      -4.526  -9.179  -2.845  1.00  1.720          C  
ATOM    328  CE1 PHE A  22      -6.260  -9.081  -0.712  1.00  1.720          C  
ATOM    329  CE2 PHE A  22      -4.670 -10.257  -2.014  1.00  1.720          C  
ATOM    330  CZ  PHE A  22      -5.533 -10.212  -0.956  1.00  1.720          C  
ATOM    331  H   PHE A  22      -7.543  -6.842  -3.920  1.00  1.330          H  
ATOM    332  HA  PHE A  22      -5.847  -5.361  -2.183  1.00  1.540          H  
ATOM    333 1HB  PHE A  22      -5.299  -7.074  -4.589  1.00  2.070          H  
ATOM    334 2HB  PHE A  22      -4.033  -6.461  -3.544  1.00  2.070          H  
ATOM    335  HD1 PHE A  22      -6.725  -7.117  -1.271  1.00  2.070          H  
ATOM    336  HD2 PHE A  22      -3.838  -9.254  -3.657  1.00  2.070          H  
ATOM    337  HE1 PHE A  22      -6.944  -9.037   0.138  1.00  2.070          H  
ATOM    338  HE2 PHE A  22      -4.101 -11.160  -2.196  1.00  2.070          H  
ATOM    339  HZ  PHE A  22      -5.638 -11.077  -0.305  1.00  2.070          H  
ATOM    340  N   ILE A  23      -6.122  -4.202  -5.250  1.00  0.990          N  
ATOM    341  CA  ILE A  23      -5.784  -2.970  -5.934  1.00  1.140          C  
ATOM    342  C   ILE A  23      -6.321  -1.775  -5.183  1.00  1.110          C  
ATOM    343  O   ILE A  23      -5.582  -0.821  -4.965  1.00  1.370          O  
ATOM    344  CB  ILE A  23      -6.306  -2.926  -7.383  1.00  1.540          C  
ATOM    345  CG1 ILE A  23      -5.523  -3.943  -8.219  1.00  1.540          C  
ATOM    346  CG2 ILE A  23      -6.223  -1.469  -7.954  1.00  1.540          C  
ATOM    347  CD1 ILE A  23      -6.102  -4.230  -9.571  1.00  1.540          C  
ATOM    348  H   ILE A  23      -6.679  -4.929  -5.713  1.00  1.190          H  
ATOM    349  HA  ILE A  23      -4.699  -2.887  -5.969  1.00  1.370          H  
ATOM    350  HB  ILE A  23      -7.351  -3.255  -7.392  1.00  1.840          H  
ATOM    351 1HG1 ILE A  23      -4.511  -3.581  -8.347  1.00  1.840          H  
ATOM    352 2HG1 ILE A  23      -5.486  -4.867  -7.672  1.00  1.840          H  
ATOM    353 1HG2 ILE A  23      -6.602  -1.444  -8.967  1.00  1.840          H  
ATOM    354 2HG2 ILE A  23      -6.819  -0.784  -7.355  1.00  1.840          H  
ATOM    355 3HG2 ILE A  23      -5.213  -1.138  -7.944  1.00  1.840          H  
ATOM    356 1HD1 ILE A  23      -5.485  -4.970 -10.076  1.00  1.840          H  
ATOM    357 2HD1 ILE A  23      -7.113  -4.623  -9.449  1.00  1.840          H  
ATOM    358 3HD1 ILE A  23      -6.135  -3.330 -10.171  1.00  1.840          H  
ATOM    359  N   GLU A  24      -7.591  -1.778  -4.779  1.00  0.960          N  
ATOM    360  CA  GLU A  24      -8.077  -0.598  -4.072  1.00  1.180          C  
ATOM    361  C   GLU A  24      -7.384  -0.373  -2.722  1.00  1.230          C  
ATOM    362  O   GLU A  24      -7.135   0.767  -2.307  1.00  1.460          O  
ATOM    363  CB  GLU A  24      -9.595  -0.657  -3.868  1.00  1.560          C  
ATOM    364  CG  GLU A  24     -10.413  -0.487  -5.150  1.00  1.560          C  
ATOM    365  CD  GLU A  24     -11.910  -0.487  -4.906  1.00  1.560          C  
ATOM    366  OE1 GLU A  24     -12.313  -0.747  -3.794  1.00  1.560          O  
ATOM    367  OE2 GLU A  24     -12.644  -0.213  -5.828  1.00  1.560          O  
ATOM    368  H   GLU A  24      -8.206  -2.584  -4.963  1.00  1.150          H  
ATOM    369  HA  GLU A  24      -7.864   0.269  -4.697  1.00  1.420          H  
ATOM    370 1HB  GLU A  24      -9.856  -1.629  -3.438  1.00  1.880          H  
ATOM    371 2HB  GLU A  24      -9.898   0.111  -3.157  1.00  1.880          H  
ATOM    372 1HG  GLU A  24     -10.132   0.451  -5.628  1.00  1.880          H  
ATOM    373 2HG  GLU A  24     -10.161  -1.301  -5.831  1.00  1.880          H  
ATOM    374  N   TRP A  25      -7.072  -1.448  -2.005  1.00  1.080          N  
ATOM    375  CA  TRP A  25      -6.487  -1.274  -0.687  1.00  1.200          C  
ATOM    376  C   TRP A  25      -5.002  -0.852  -0.775  1.00  1.340          C  
ATOM    377  O   TRP A  25      -4.560   0.016   0.000  1.00  1.580          O  
ATOM    378  CB  TRP A  25      -6.697  -2.567   0.115  1.00  1.630          C  
ATOM    379  CG  TRP A  25      -8.219  -2.933   0.327  1.00  1.630          C  
ATOM    380  CD1 TRP A  25      -9.320  -2.340  -0.256  1.00  1.630          C  
ATOM    381  CD2 TRP A  25      -8.759  -3.984   1.156  1.00  1.630          C  
ATOM    382  NE1 TRP A  25     -10.459  -2.951   0.152  1.00  1.630          N  
ATOM    383  CE2 TRP A  25     -10.146  -3.952   1.015  1.00  1.630          C  
ATOM    384  CE3 TRP A  25      -8.202  -4.917   1.983  1.00  1.630          C  
ATOM    385  CZ2 TRP A  25     -10.969  -4.832   1.681  1.00  1.630          C  
ATOM    386  CZ3 TRP A  25      -9.026  -5.810   2.647  1.00  1.630          C  
ATOM    387  CH2 TRP A  25     -10.374  -5.763   2.500  1.00  1.630          C  
ATOM    388  H   TRP A  25      -7.306  -2.387  -2.347  1.00  1.300          H  
ATOM    389  HA  TRP A  25      -7.021  -0.478  -0.179  1.00  1.440          H  
ATOM    390 1HB  TRP A  25      -6.218  -3.399  -0.410  1.00  1.960          H  
ATOM    391 2HB  TRP A  25      -6.218  -2.484   1.095  1.00  1.960          H  
ATOM    392  HD1 TRP A  25      -9.317  -1.514  -0.942  1.00  1.960          H  
ATOM    393  HE1 TRP A  25     -11.396  -2.700  -0.141  1.00  1.960          H  
ATOM    394  HE3 TRP A  25      -7.134  -4.949   2.124  1.00  1.960          H  
ATOM    395  HZ2 TRP A  25     -12.052  -4.805   1.574  1.00  1.960          H  
ATOM    396  HZ3 TRP A  25      -8.557  -6.537   3.307  1.00  1.960          H  
ATOM    397  HH2 TRP A  25     -10.992  -6.473   3.044  1.00  1.960          H  
ATOM    398  N   LEU A  26      -4.278  -1.393  -1.775  1.00  1.380          N  
ATOM    399  CA  LEU A  26      -2.864  -1.112  -1.998  1.00  1.820          C  
ATOM    400  C   LEU A  26      -2.659   0.251  -2.667  1.00  2.100          C  
ATOM    401  O   LEU A  26      -1.745   0.996  -2.301  1.00  2.400          O  
ATOM    402  CB  LEU A  26      -2.252  -2.196  -2.911  1.00  2.370          C  
ATOM    403  CG  LEU A  26      -2.141  -3.657  -2.360  1.00  2.370          C  
ATOM    404  CD1 LEU A  26      -1.744  -4.621  -3.507  1.00  2.370          C  
ATOM    405  CD2 LEU A  26      -1.093  -3.705  -1.280  1.00  2.370          C  
ATOM    406  H   LEU A  26      -4.710  -2.090  -2.376  1.00  1.660          H  
ATOM    407  HA  LEU A  26      -2.366  -1.101  -1.038  1.00  2.180          H  
ATOM    408 1HB  LEU A  26      -2.822  -2.229  -3.839  1.00  2.850          H  
ATOM    409 2HB  LEU A  26      -1.244  -1.878  -3.140  1.00  2.850          H  
ATOM    410  HG  LEU A  26      -3.098  -3.971  -1.956  1.00  2.850          H  
ATOM    411 1HD1 LEU A  26      -1.670  -5.639  -3.127  1.00  2.850          H  
ATOM    412 2HD1 LEU A  26      -2.498  -4.585  -4.296  1.00  2.850          H  
ATOM    413 3HD1 LEU A  26      -0.791  -4.332  -3.918  1.00  2.850          H  
ATOM    414 1HD2 LEU A  26      -1.002  -4.700  -0.897  1.00  2.850          H  
ATOM    415 2HD2 LEU A  26      -0.133  -3.395  -1.693  1.00  2.850          H  
ATOM    416 3HD2 LEU A  26      -1.367  -3.049  -0.472  1.00  2.850          H  
ATOM    417  N   LYS A  27      -3.510   0.587  -3.651  1.00  2.090          N  
ATOM    418  CA  LYS A  27      -3.426   1.836  -4.407  1.00  2.540          C  
ATOM    419  C   LYS A  27      -3.515   3.047  -3.507  1.00  2.660          C  
ATOM    420  O   LYS A  27      -2.896   4.080  -3.769  1.00  3.060          O  
ATOM    421  CB  LYS A  27      -4.523   1.907  -5.474  1.00  3.380          C  
ATOM    422  CG  LYS A  27      -4.479   3.142  -6.359  1.00  3.380          C  
ATOM    423  CD  LYS A  27      -5.545   3.080  -7.451  1.00  3.380          C  
ATOM    424  CE  LYS A  27      -5.527   4.340  -8.316  1.00  3.380          C  
ATOM    425  NZ  LYS A  27      -6.571   4.304  -9.384  1.00  3.380          N  
ATOM    426  H   LYS A  27      -4.247  -0.060  -3.937  1.00  2.510          H  
ATOM    427  HA  LYS A  27      -2.455   1.868  -4.908  1.00  3.050          H  
ATOM    428 1HB  LYS A  27      -4.445   1.042  -6.128  1.00  4.050          H  
ATOM    429 2HB  LYS A  27      -5.503   1.865  -4.990  1.00  4.050          H  
ATOM    430 1HG  LYS A  27      -4.653   4.033  -5.752  1.00  4.050          H  
ATOM    431 2HG  LYS A  27      -3.491   3.223  -6.815  1.00  4.050          H  
ATOM    432 1HD  LYS A  27      -5.369   2.208  -8.084  1.00  4.050          H  
ATOM    433 2HD  LYS A  27      -6.527   2.978  -6.988  1.00  4.050          H  
ATOM    434 1HE  LYS A  27      -5.702   5.208  -7.681  1.00  4.050          H  
ATOM    435 2HE  LYS A  27      -4.548   4.436  -8.783  1.00  4.050          H  
ATOM    436 1HZ  LYS A  27      -6.522   5.154  -9.930  1.00  4.050          H  
ATOM    437 2HZ  LYS A  27      -6.411   3.510  -9.988  1.00  4.050          H  
ATOM    438 3HZ  LYS A  27      -7.485   4.228  -8.963  1.00  4.050          H  
ATOM    439  N   ASN A  28      -4.300   2.925  -2.444  1.00  2.350          N  
ATOM    440  CA  ASN A  28      -4.544   4.002  -1.514  1.00  2.500          C  
ATOM    441  C   ASN A  28      -3.601   4.009  -0.307  1.00  2.440          C  
ATOM    442  O   ASN A  28      -3.848   4.725   0.665  1.00  2.590          O  
ATOM    443  CB  ASN A  28      -5.999   3.976  -1.090  1.00  3.440          C  
ATOM    444  CG  ASN A  28      -6.926   4.444  -2.209  1.00  3.440          C  
ATOM    445  OD1 ASN A  28      -7.027   5.655  -2.455  1.00  3.440          O  
ATOM    446  ND2 ASN A  28      -7.580   3.534  -2.888  1.00  3.440          N  
ATOM    447  H   ASN A  28      -4.799   2.051  -2.299  1.00  2.820          H  
ATOM    448  HA  ASN A  28      -4.376   4.940  -2.044  1.00  3.000          H  
ATOM    449 1HB  ASN A  28      -6.271   2.952  -0.809  1.00  4.130          H  
ATOM    450 2HB  ASN A  28      -6.145   4.609  -0.218  1.00  4.130          H  
ATOM    451 1HD2 ASN A  28      -8.192   3.807  -3.629  1.00  4.130          H  
ATOM    452 2HD2 ASN A  28      -7.456   2.547  -2.675  1.00  4.130          H  
ATOM    453  N   GLY A  29      -2.503   3.243  -0.370  1.00  2.340          N  
ATOM    454  CA  GLY A  29      -1.503   3.286   0.690  1.00  2.360          C  
ATOM    455  C   GLY A  29      -1.463   2.198   1.775  1.00  1.570          C  
ATOM    456  O   GLY A  29      -0.578   2.269   2.633  1.00  1.770          O  
ATOM    457  H   GLY A  29      -2.320   2.631  -1.171  1.00  2.810          H  
ATOM    458 1HA  GLY A  29      -0.533   3.337   0.214  1.00  2.830          H  
ATOM    459 2HA  GLY A  29      -1.607   4.246   1.193  1.00  2.830          H  
ATOM    460  N   GLY A  30      -2.376   1.210   1.806  1.00  1.500          N  
ATOM    461  CA  GLY A  30      -2.280   0.223   2.883  1.00  1.840          C  
ATOM    462  C   GLY A  30      -1.905  -1.188   2.407  1.00  2.100          C  
ATOM    463  O   GLY A  30      -1.416  -1.360   1.292  1.00  1.950          O  
ATOM    464  H   GLY A  30      -3.129   1.106   1.117  1.00  1.800          H  
ATOM    465 1HA  GLY A  30      -1.547   0.575   3.603  1.00  2.210          H  
ATOM    466 2HA  GLY A  30      -3.239   0.189   3.398  1.00  2.210          H  
ATOM    467  N   PRO A  31      -1.930  -2.183   3.316  1.00  2.760          N  
ATOM    468  CA  PRO A  31      -1.667  -3.601   3.087  1.00  3.250          C  
ATOM    469  C   PRO A  31      -2.761  -4.192   2.216  1.00  3.570          C  
ATOM    470  O   PRO A  31      -3.913  -3.775   2.337  1.00  4.160          O  
ATOM    471  CB  PRO A  31      -1.711  -4.206   4.500  1.00  4.880          C  
ATOM    472  CG  PRO A  31      -1.537  -3.038   5.441  1.00  4.880          C  
ATOM    473  CD  PRO A  31      -2.190  -1.866   4.737  1.00  4.880          C  
ATOM    474  HA  PRO A  31      -0.678  -3.736   2.618  1.00  3.900          H  
ATOM    475 1HB  PRO A  31      -2.646  -4.748   4.651  1.00  5.850          H  
ATOM    476 2HB  PRO A  31      -0.904  -4.949   4.602  1.00  5.850          H  
ATOM    477 1HG  PRO A  31      -1.999  -3.265   6.416  1.00  5.850          H  
ATOM    478 2HG  PRO A  31      -0.465  -2.872   5.636  1.00  5.850          H  
ATOM    479 1HD  PRO A  31      -3.272  -1.832   4.927  1.00  5.850          H  
ATOM    480 2HD  PRO A  31      -1.681  -0.965   5.076  1.00  5.850          H  
ATOM    481  N   SER A  32      -2.455  -5.232   1.444  1.00  3.670          N  
ATOM    482  CA  SER A  32      -3.490  -5.900   0.648  1.00  4.230          C  
ATOM    483  C   SER A  32      -4.612  -6.469   1.504  1.00  3.940          C  
ATOM    484  O   SER A  32      -5.770  -6.490   1.101  1.00  3.880          O  
ATOM    485  CB  SER A  32      -2.881  -7.063  -0.068  1.00  5.700          C  
ATOM    486  OG  SER A  32      -2.515  -8.054   0.848  1.00  5.700          O  
ATOM    487  H   SER A  32      -1.478  -5.562   1.353  1.00  4.400          H  
ATOM    488  HA  SER A  32      -3.909  -5.186  -0.058  1.00  5.080          H  
ATOM    489 1HB  SER A  32      -3.550  -7.451  -0.748  1.00  6.840          H  
ATOM    490 2HB  SER A  32      -2.035  -6.733  -0.615  1.00  6.840          H  
ATOM    491  HG  SER A  32      -2.141  -8.766   0.325  1.00  6.840          H  
ATOM    492  N   SER A  33      -4.278  -6.868   2.723  1.00  4.130          N  
ATOM    493  CA  SER A  33      -5.205  -7.453   3.675  1.00  4.070          C  
ATOM    494  C   SER A  33      -5.642  -6.486   4.773  1.00  4.100          C  
ATOM    495  O   SER A  33      -6.190  -6.910   5.794  1.00  4.680          O  
ATOM    496  CB  SER A  33      -4.553  -8.661   4.315  1.00  5.720          C  
ATOM    497  OG  SER A  33      -3.387  -8.290   5.019  1.00  5.720          O  
ATOM    498  H   SER A  33      -3.301  -6.848   2.984  1.00  4.960          H  
ATOM    499  HA  SER A  33      -6.094  -7.774   3.131  1.00  4.880          H  
ATOM    500 1HB  SER A  33      -5.257  -9.136   4.996  1.00  6.870          H  
ATOM    501 2HB  SER A  33      -4.300  -9.387   3.543  1.00  6.870          H  
ATOM    502  HG  SER A  33      -3.078  -9.089   5.456  1.00  6.870          H  
ATOM    503  N   GLY A  34      -5.358  -5.197   4.606  1.00  3.630          N  
ATOM    504  CA  GLY A  34      -5.674  -4.221   5.638  1.00  3.810          C  
ATOM    505  C   GLY A  34      -7.086  -3.679   5.526  1.00  3.650          C  
ATOM    506  O   GLY A  34      -7.947  -4.253   4.873  1.00  4.060          O  
ATOM    507  H   GLY A  34      -4.930  -4.870   3.736  1.00  4.360          H  
ATOM    508 1HA  GLY A  34      -5.534  -4.674   6.619  1.00  4.570          H  
ATOM    509 2HA  GLY A  34      -4.969  -3.397   5.568  1.00  4.570          H  
ATOM    510  N   ALA A  35      -7.355  -2.593   6.230  1.00  3.470          N  
ATOM    511  CA  ALA A  35      -8.679  -2.003   6.183  1.00  3.530          C  
ATOM    512  C   ALA A  35      -8.917  -1.409   4.790  1.00  2.780          C  
ATOM    513  O   ALA A  35      -7.961  -0.935   4.172  1.00  2.340          O  
ATOM    514  CB  ALA A  35      -8.818  -0.923   7.245  1.00  4.920          C  
ATOM    515  H   ALA A  35      -6.627  -2.160   6.782  1.00  4.160          H  
ATOM    516  HA  ALA A  35      -9.395  -2.800   6.366  1.00  4.240          H  
ATOM    517 1HB  ALA A  35      -9.814  -0.487   7.215  1.00  5.900          H  
ATOM    518 2HB  ALA A  35      -8.646  -1.357   8.229  1.00  5.900          H  
ATOM    519 3HB  ALA A  35      -8.084  -0.140   7.062  1.00  5.900          H  
ATOM    520  N   PRO A  36     -10.156  -1.402   4.278  1.00  3.070          N  
ATOM    521  CA  PRO A  36     -10.528  -0.762   3.039  1.00  2.890          C  
ATOM    522  C   PRO A  36     -10.399   0.749   3.206  1.00  2.530          C  
ATOM    523  O   PRO A  36     -10.559   1.239   4.325  1.00  2.750          O  
ATOM    524  CB  PRO A  36     -11.991  -1.193   2.858  1.00  4.330          C  
ATOM    525  CG  PRO A  36     -12.478  -1.506   4.253  1.00  4.330          C  
ATOM    526  CD  PRO A  36     -11.268  -2.073   4.972  1.00  4.330          C  
ATOM    527  HA  PRO A  36      -9.876  -1.158   2.257  1.00  3.470          H  
ATOM    528 1HB  PRO A  36     -12.565  -0.372   2.389  1.00  5.200          H  
ATOM    529 2HB  PRO A  36     -12.059  -2.046   2.191  1.00  5.200          H  
ATOM    530 1HG  PRO A  36     -12.853  -0.582   4.728  1.00  5.200          H  
ATOM    531 2HG  PRO A  36     -13.324  -2.209   4.212  1.00  5.200          H  
ATOM    532 1HD  PRO A  36     -11.336  -1.781   6.022  1.00  5.200          H  
ATOM    533 2HD  PRO A  36     -11.201  -3.167   4.833  1.00  5.200          H  
ATOM    534  N   PRO A  37     -10.129   1.503   2.134  1.00  2.800          N  
ATOM    535  CA  PRO A  37     -10.055   2.947   2.111  1.00  3.310          C  
ATOM    536  C   PRO A  37     -11.466   3.523   2.207  1.00  3.500          C  
ATOM    537  O   PRO A  37     -12.421   2.811   1.888  1.00  3.440          O  
ATOM    538  CB  PRO A  37      -9.424   3.224   0.743  1.00  4.960          C  
ATOM    539  CG  PRO A  37      -9.862   2.057  -0.107  1.00  4.960          C  
ATOM    540  CD  PRO A  37      -9.891   0.873   0.839  1.00  4.960          C  
ATOM    541  HA  PRO A  37      -9.394   3.257   2.923  1.00  3.970          H  
ATOM    542 1HB  PRO A  37      -9.786   4.190   0.346  1.00  5.960          H  
ATOM    543 2HB  PRO A  37      -8.332   3.302   0.839  1.00  5.960          H  
ATOM    544 1HG  PRO A  37     -10.853   2.268  -0.549  1.00  5.960          H  
ATOM    545 2HG  PRO A  37      -9.165   1.910  -0.949  1.00  5.960          H  
ATOM    546 1HD  PRO A  37     -10.723   0.210   0.563  1.00  5.960          H  
ATOM    547 2HD  PRO A  37      -8.921   0.368   0.838  1.00  5.960          H  
ATOM    548  N   PRO A  38     -11.629   4.785   2.630  1.00  4.180          N  
ATOM    549  CA  PRO A  38     -12.868   5.534   2.581  1.00  4.710          C  
ATOM    550  C   PRO A  38     -13.328   5.652   1.138  1.00  4.790          C  
ATOM    551  O   PRO A  38     -12.493   5.699   0.231  1.00  4.940          O  
ATOM    552  CB  PRO A  38     -12.465   6.905   3.143  1.00  7.060          C  
ATOM    553  CG  PRO A  38     -11.243   6.633   3.987  1.00  7.060          C  
ATOM    554  CD  PRO A  38     -10.517   5.506   3.279  1.00  7.060          C  
ATOM    555  HA  PRO A  38     -13.628   5.038   3.201  1.00  5.650          H  
ATOM    556 1HB  PRO A  38     -12.266   7.603   2.315  1.00  8.480          H  
ATOM    557 2HB  PRO A  38     -13.297   7.328   3.723  1.00  8.480          H  
ATOM    558 1HG  PRO A  38     -10.631   7.546   4.068  1.00  8.480          H  
ATOM    559 2HG  PRO A  38     -11.543   6.362   5.011  1.00  8.480          H  
ATOM    560 1HD  PRO A  38      -9.805   5.885   2.531  1.00  8.480          H  
ATOM    561 2HD  PRO A  38     -10.041   4.904   4.060  1.00  8.480          H  
ATOM    562  N   SER A  39     -14.636   5.751   0.942  1.00  5.090          N  
ATOM    563  CA  SER A  39     -15.230   5.910  -0.379  1.00  5.440          C  
ATOM    564  C   SER A  39     -16.678   6.361  -0.224  1.00  6.040          C  
ATOM    565  O   SER A  39     -17.055   7.412  -0.746  1.00  6.460          O  
ATOM    566  OXT SER A  39     -17.292   5.927   0.753  1.00  8.160          O  
ATOM    567  CB  SER A  39     -15.160   4.599  -1.151  1.00  7.130          C  
ATOM    568  OG  SER A  39     -15.748   4.717  -2.425  1.00  7.130          O  
ATOM    569  H   SER A  39     -15.258   5.703   1.737  1.00  6.110          H  
ATOM    570  HA  SER A  39     -14.680   6.676  -0.925  1.00  6.530          H  
ATOM    571 1HB  SER A  39     -14.119   4.293  -1.259  1.00  8.560          H  
ATOM    572 2HB  SER A  39     -15.669   3.821  -0.585  1.00  8.560          H  
ATOM    573  HG  SER A  39     -15.666   3.856  -2.831  1.00  8.560          H  
TER                                                                             
# All scores below are weighted scores, not raw scores.
#BEGIN_POSE_ENERGIES_TABLE model01_0001.pdb
label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro cart_bonded total
weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 0.5 NA
pose -177.197 18.1514 150.176 -10.2307 3.57408 7.85525 69.4793 -77.8417 -0.41564 -2.70767 -61.535 -13.9414 -18.6897 -4.84426 -7.15353 -3.28595 0 -0.26384 1.43617 15.6497 37.5145 -12.3556 7.64208 -22.1967 -6.36872 21.4191 -86.1299
HIS:NtermProteinFull_1 -7.11955 0.53254 8.85122 -0.5298 0.05031 0.39879 4.54883 -4.26327 -0.0645 -0.29391 -5.20276 -0.86515 0 0 -1.2126 0 0 0.08378 0.02881 0 2.23157 0 0 -0.45461 0 0.15491 -3.1254
GLY_2 -1.96182 0.14147 2.18085 -4e-05 0 0 0.59036 -1.11301 -0 -0 0.00711 -0.39952 0 0 0 0 0 -0.20669 0 0 0 0.36124 0 0.83697 0.19581 0.31608 0.9488
GLU_3 -2.62175 0.24635 2.85557 -0.23303 0.0438 0.36725 1.30477 -1.32494 -0 -0 -0.70645 -0.5804 0 0 -1.2126 0 0 -0.07803 0.01454 0 2.91656 -0.06113 0 -2.7348 0.00688 0.28744 -1.50995
GLY_4 -1.90334 0.12689 2.373 -5e-05 0 0 1.04295 -1.20217 -0 -0 -1.58334 -0.39162 0 0 0 0 0 -0.16566 0 0 0 -1.48341 0 0.83697 -0.6686 0.20064 -2.81773
THR_5 -4.47192 0.40196 3.88524 -0.1993 0.10424 0.07225 1.82799 -2.0934 -0.02397 -0.16182 -1.6796 -0.91745 0 0 -0.76233 0 0 -0.01702 0.12104 1.14815 0 -0.61627 2.32349 -1.0874 -0.40146 0.32362 -2.22396
PHE_6 -7.51395 0.84116 2.77951 -0.55427 0.16319 0.30559 2.14255 -2.1575 -0.01928 -0.15297 -1.76689 -0.06385 0 0 0 0 0 0.4452 0.03966 0 3.6454 -0.21678 0 1.0402 0.22903 0.65257 -0.16142
THR_7 -3.08043 0.2684 3.34084 -0.19983 0.15869 0.07352 1.55793 -1.59423 -0.03145 -0.22458 -0.87545 -0.62946 0 0 -0.76233 0 0 -0.02101 0.0002 0.03613 0 0.01942 2.27418 -1.0874 0.77019 0.74097 0.7343
SER_8 -2.10069 0.15105 2.63226 -0.02485 0.0001 0.02393 0.84411 -1.19156 -0 -0 0.26185 -0.40437 0 0 0 0 0 -0.07932 0.00028 0.73452 0 0.18969 0.61833 -0.77834 0.4857 0.45924 1.82194
ASP_9 -6.16073 0.52269 7.72399 -0.11021 0.03458 0.34088 4.00875 -3.2807 -0.00295 -0.05087 -6.46076 -0.18879 0 0 -0.64322 -0.43942 0 0.07248 0.01657 0 2.63939 -0.29759 0 -2.3716 -0.22285 0.33504 -4.53531
LEU_10 -5.32495 0.45812 4.51251 -0.67897 0.19961 0.25575 2.20518 -2.38071 -0 -0 -1.57387 0.0766 0 0 0 0 0 -0.06343 0.00273 1.2099 0 -0.29553 0 0.18072 -0.28125 0.39854 -1.09906
SER_11 -2.40039 0.24144 2.47072 -0.03149 0.00105 0.05327 0.53252 -1.22279 -0.01217 -0.07161 0.21292 -0.97807 0 0 0 0 0 -0.06336 0.00061 0.16498 0 -0.38669 0.61198 -0.77834 -0.4086 0.25517 -1.80886
LYS_12 -5.1687 0.51183 5.28168 -0.32609 0.06871 0.18299 2.71837 -2.29499 -0.01907 -0.1352 -4.12963 -0.19521 0 0 0 -0.43942 0 -0.02086 0.33262 1.76843 0 -0.12651 0 -1.5107 -0.41495 0.29266 -3.62403
GLN_13 -8.05095 0.98154 4.16021 -0.29146 0.04474 0.24509 1.96395 -2.58467 -0 -0 -0.54182 -0.63797 0 0 0 0 0 0.10387 0.03226 0 3.85328 0.02992 0 -0.18838 0.0494 0.51108 -0.31993
MET_14 -3.66667 0.38847 2.35575 -0.68679 0.12501 0.32367 0.7719 -1.44317 -0 -0 -0.47512 -0.19964 0 0 0 0 0 -0.04984 0.04503 1.71534 0 0.22645 0 0.60916 0.6797 0.60168 1.32094
GLU_15 -3.5175 0.36627 3.81525 -0.2126 0.03819 0.32038 1.79833 -1.96804 -0.04566 -0.36269 -1.63685 -0.48409 0 0 0 0 0 0.09258 0.00158 0 2.99283 0.03224 0 -2.7348 0.40224 0.52561 -0.57673
GLU_16 -4.16093 0.19824 5.11518 -0.36577 0.12958 0.44877 2.18299 -2.16727 -0 -0 -2.63061 -0.61502 0 0 0 -1.20355 0 -0.03529 0.01845 0 3.0879 -0.13092 0 -2.7348 -0.16375 0.43826 -2.58854
GLU_17 -3.82284 0.17937 4.83453 -0.46351 0.26439 1.46522 1.454 -2.16731 -0.04762 -0.31765 -0.93604 -2.93351 0 0 0 0 0 0.0518 0.01797 0 3.94465 -0.20063 0 -2.7348 -0.33022 0.2794 -1.46279
ALA_18 -5.58535 0.56231 3.79362 -0.0213 0 0 2.64274 -2.65545 -0.0298 -0.15659 -1.55604 -0.34487 0 0 0 0 0 -0.04312 0 0 0 -0.20669 0 1.8394 -0.37041 0.21629 -1.91526
VAL_19 -6.96138 0.67295 5.19339 -0.30715 0.19708 0.06964 2.64997 -3.12538 -0 -0 -2.6304 -0.08432 0 0 0 0 0 -0.06309 0.01158 0.03522 0 -0.33049 0 1.9342 -0.17884 0.29975 -2.61729
ARG_20 -5.0952 0.14687 6.10802 -0.59411 0.07785 0.32607 2.83673 -2.65225 -0.00877 -0.06643 -3.14911 0.21182 0 0 0 -1.20355 0 -0.03148 0.02611 2.54689 0 -0.05377 0 -1.2888 -0.14575 0.42368 -1.58518
LEU_21 -6.30335 0.34939 5.05387 -0.49837 0.19932 0.11496 2.66701 -2.75142 -0 -0 -2.32118 0.2246 0 0 0 0 0 -0.03289 0.00496 0.45946 0 -0.23043 0 0.18072 -0.18915 0.52111 -2.55139
PHE_22 -10.6083 1.67579 5.5586 -0.56691 0.47441 0.27724 3.32988 -3.6464 -0.00421 -0.01755 -2.77058 -0.35752 0 0 0 0 0 0.04648 0.1612 0 3.452 0.08059 0 1.0402 -0.15301 0.77937 -1.24874
ILE_23 -6.81343 0.78182 5.27269 -0.51001 0.39591 0.10327 2.69681 -2.84958 -0 -0 -2.715 0.03094 0 0 0 0 0 -0.04934 0.03899 0.47447 0 -0.42919 0 0.73287 -0.03484 0.90161 -1.972
GLU_24 -4.79109 0.18647 5.09562 -0.21098 0.02164 0.28002 2.15378 -2.40223 -0 -0 -1.77573 -0.56462 0 0 -0.95861 0 0 -0.0398 0.06407 0 3.01287 -0.32619 0 -2.7348 -0.22849 0.5554 -2.66265
TRP_25 -11.1805 1.0631 6.5504 -0.68551 0.47295 0.39945 3.3957 -3.88933 -0 -0 -2.48414 -0.52442 0 0 0 0 0 -0.00102 0.25785 0 3.19735 0.05191 0 1.6906 -0.3123 0.63085 -1.36707
LEU_26 -10.0518 0.98592 6.79479 -0.46292 0.16121 0.1048 4.17735 -4.09575 -0.01487 -0.08654 -2.83401 0.22176 0 0 0 0 0 -0.03071 0.08989 0.43811 0 -0.21976 0 0.18072 -0.01859 0.62972 -4.03074
LYS_27 -4.02387 0.30012 3.86833 -0.44429 0.09177 0.27598 1.53192 -1.89592 -0.00421 -0.01755 -1.24961 -0.22988 0 0 0 0 0 -0.0771 0.0051 2.39416 0 -0.08076 0 -1.5107 -0.28053 0.29423 -1.05283
ASN_28 -3.35058 0.19588 3.63005 -0.2161 0.03141 0.33031 1.26967 -1.63781 -0 -0 -1.12667 -0.49666 0 0 -0.95861 0 0 0.1497 0.04672 0 2.54066 -0.61808 0 -0.93687 -0.57361 0.27792 -1.44265
GLY_29 -2.63066 0.33394 2.81598 -6e-05 0 0 0.89069 -1.54227 -0.04053 -0.13209 -1.32372 -0.32498 0 0 0 0 0 -0.15795 0 0 0 -1.52898 0 0.83697 -0.53756 1.02613 -2.31509
GLY_30 -2.55121 0.42741 3.74416 -0.00041 0 0 1.88801 -1.80862 -0.01778 -0.13605 -2.12224 -0.17881 0 0 0 0 0 -0.02775 0 0 0 -0.47623 0 0.83697 0.05825 1.53535 1.17106
PRO_31 -3.4285 0.46594 2.74315 -0.14838 0.00086 0.10562 1.07362 -1.38652 -0.00014 -0.0032 -1.14787 0.14652 0 0 0 0 0 -0.02052 0.01748 0.40807 0 -1.00416 0 -2.4119 -0.03242 0.96029 -3.66206
SER_32 -5.51136 0.97823 4.09986 -0.02912 0 0.04646 1.88258 -2.04048 -0.01428 -0.15926 -1.44425 -1.13002 0 0 -0.64322 0 0 -0.08748 0.01787 0.32587 0 0.10314 0.60011 -0.77834 -0.57142 0.62567 -3.72946
SER_33 -2.113 0.18379 1.83658 -0.0369 0.01375 0.06638 0.3596 -0.97356 -0.00889 -0.09883 0.17051 -0.87488 0 0 0 0 0 0.01571 0.00198 0.47439 0 0.02289 0.61389 -0.77834 -0.29967 0.45956 -0.96503
GLY_34 -2.80605 0.36037 2.73503 -0.00024 0 0 1.35411 -1.38563 -0.00535 -0.05908 -0.43031 -0.16671 0 0 0 0 0 -0.06465 0 0 0 -0.98549 0 0.83697 -0.04128 0.19284 -0.46546
ALA_35 -1.61045 0.31147 1.0869 -0.02374 0 0 0.21908 -0.64078 -0.00014 -0.0032 -0.06301 -0.19544 0 0 0 0 0 0.06598 0 0 0 -0.11867 0 1.8394 -0.37092 0.67524 1.17171
PRO_36 -3.30474 0.68663 1.107 -0.19452 0.00297 0.14085 0.38878 -0.60297 -0 -0 0.02938 0.01816 0 0 0 0 0 -0.02139 0.00578 0.66266 0 -0.99197 0 -2.4119 -0.6258 1.21423 -3.89686
PRO_37 -3.77101 0.61042 2.41606 -0.20352 0.00618 0.1477 0.32969 -0.82931 -0 -0 -0.09105 0.02717 0 0 0 0 0 0.21146 0.00146 0.38427 0 -0.90647 0 -2.4119 -0.45431 1.27878 -3.25437
PRO_38 -1.16481 0.28248 0.90704 -0.13152 0.00059 0.09605 0.15849 -0.33106 -0 -0 -0.38982 0.21852 0 0 0 0 0 -0.05412 0.01226 0.1882 0 -1.15035 0 -2.4119 -0.57594 0.81878 -3.5271
SER:CtermProteinFull_39 -0.49309 0.03232 0.59625 -0.03654 0 0.09307 0.08763 -0.24924 -0 -0 -0.39279 0.83974 0 0 0 0 0 0 0.00052 0.08055 0 0 0.6001 -0.77834 -0.35939 0.32938 0.35017
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

