REMARK ID 701835 DOMAINID 692256 MODEL 1 BOMBYXIN-II
MODEL     1
REMARK    Rerank model05.pdb to model01.pdb score: 20.040
REMARK    S_0000_0003
REMARK    SCORE coordinate_constraint:           0.000
REMARK    SCORE fa_intra_sol_xover4:           5.578
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE          fa_atr:        -138.547
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     hbond_bb_sc:          -7.430
REMARK    SCORE         p_aa_pp:          -4.833
REMARK    SCORE angle_constraint:           0.000
REMARK    SCORE             ref:          15.018
REMARK    SCORE          fa_sol:          82.706
REMARK    SCORE     hbond_lr_bb:          -1.779
REMARK    SCORE     total_score:        -105.745
REMARK    SCORE atom_pair_constraint:         -58.864
REMARK    SCORE     rama_prepro:           0.286
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE          fa_dun:          29.345
REMARK    SCORE         fa_elec:         -38.927
REMARK    SCORE     description: best_scoring0001_0001_0001
REMARK    SCORE     hbond_sr_bb:         -14.667
REMARK    SCORE    fa_intra_rep:           0.225
REMARK    SCORE            time:           0.000
REMARK    SCORE dihedral_constraint:           0.000
REMARK    SCORE           score:        -105.745
REMARK    SCORE     lk_ball_wtd:          -4.761
REMARK    SCORE        hbond_sc:           0.000
REMARK    SCORE     cart_bonded:          14.099
REMARK    SCORE           omega:           0.143
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE          fa_rep:          16.663
ATOM      1  N   GLN A   1       0.763  -0.728  -0.300  1.00  6.29           N  
ATOM      2  CA  GLN A   1       2.209  -0.530  -0.261  1.00  5.70           C  
ATOM      3  C   GLN A   1       2.556   0.947  -0.247  1.00  4.93           C  
ATOM      4  O   GLN A   1       2.420   1.636  -1.257  1.00  4.99           O  
ATOM      5  CB  GLN A   1       2.885  -1.215  -1.457  1.00  8.22           C  
ATOM      6  CG  GLN A   1       4.410  -1.149  -1.443  1.00  8.22           C  
ATOM      7  CD  GLN A   1       5.036  -1.875  -2.604  1.00  8.22           C  
ATOM      8  OE1 GLN A   1       5.407  -1.273  -3.611  1.00  8.22           O  
ATOM      9  NE2 GLN A   1       5.131  -3.194  -2.493  1.00  8.22           N  
ATOM     10 1H   GLN A   1       0.561  -1.653  -0.652  1.00  7.55           H  
ATOM     11 2H   GLN A   1       0.390  -0.644   0.635  1.00  7.55           H  
ATOM     12 3H   GLN A   1       0.337  -0.034  -0.898  1.00  7.55           H  
ATOM     13  HA  GLN A   1       2.600  -0.969   0.657  1.00  6.84           H  
ATOM     14 1HB  GLN A   1       2.601  -2.268  -1.469  1.00  9.86           H  
ATOM     15 2HB  GLN A   1       2.533  -0.767  -2.384  1.00  9.86           H  
ATOM     16 1HG  GLN A   1       4.719  -0.106  -1.490  1.00  9.86           H  
ATOM     17 2HG  GLN A   1       4.783  -1.602  -0.533  1.00  9.86           H  
ATOM     18 1HE2 GLN A   1       5.530  -3.732  -3.233  1.00  9.86           H  
ATOM     19 2HE2 GLN A   1       4.795  -3.671  -1.666  1.00  9.86           H  
ATOM     20  N   GLN A   2       2.989   1.430   0.906  1.00  4.51           N  
ATOM     21  CA  GLN A   2       3.372   2.820   1.098  1.00  4.01           C  
ATOM     22  C   GLN A   2       4.530   3.146   0.144  1.00  3.50           C  
ATOM     23  O   GLN A   2       5.478   2.357   0.063  1.00  3.52           O  
ATOM     24  CB  GLN A   2       3.751   3.027   2.569  1.00  5.82           C  
ATOM     25  CG  GLN A   2       4.129   4.406   3.026  1.00  5.82           C  
ATOM     26  CD  GLN A   2       4.374   4.421   4.513  1.00  5.82           C  
ATOM     27  OE1 GLN A   2       4.670   3.372   5.132  1.00  5.82           O  
ATOM     28  NE2 GLN A   2       4.254   5.597   5.111  1.00  5.82           N  
ATOM     29  H   GLN A   2       3.061   0.790   1.688  1.00  5.41           H  
ATOM     30  HA  GLN A   2       2.503   3.428   0.870  1.00  4.81           H  
ATOM     31 1HB  GLN A   2       2.901   2.743   3.180  1.00  6.98           H  
ATOM     32 2HB  GLN A   2       4.551   2.379   2.812  1.00  6.98           H  
ATOM     33 1HG  GLN A   2       5.036   4.729   2.526  1.00  6.98           H  
ATOM     34 2HG  GLN A   2       3.310   5.090   2.832  1.00  6.98           H  
ATOM     35 1HE2 GLN A   2       4.404   5.686   6.099  1.00  6.98           H  
ATOM     36 2HE2 GLN A   2       4.012   6.412   4.582  1.00  6.98           H  
ATOM     37  N   PRO A   3       4.516   4.303  -0.557  1.00  3.48           N  
ATOM     38  CA  PRO A   3       5.502   4.710  -1.548  1.00  3.37           C  
ATOM     39  C   PRO A   3       6.921   4.818  -1.021  1.00  2.94           C  
ATOM     40  O   PRO A   3       7.864   4.799  -1.811  1.00  2.59           O  
ATOM     41  CB  PRO A   3       4.970   6.072  -2.029  1.00  5.06           C  
ATOM     42  CG  PRO A   3       4.067   6.559  -0.931  1.00  5.06           C  
ATOM     43  CD  PRO A   3       3.429   5.302  -0.376  1.00  5.06           C  
ATOM     44  HA  PRO A   3       5.471   3.984  -2.375  1.00  4.04           H  
ATOM     45 1HB  PRO A   3       5.814   6.755  -2.218  1.00  6.07           H  
ATOM     46 2HB  PRO A   3       4.442   5.949  -2.987  1.00  6.07           H  
ATOM     47 1HG  PRO A   3       4.649   7.111  -0.176  1.00  6.07           H  
ATOM     48 2HG  PRO A   3       3.329   7.269  -1.339  1.00  6.07           H  
ATOM     49 1HD  PRO A   3       3.189   5.492   0.653  1.00  6.07           H  
ATOM     50 2HD  PRO A   3       2.542   5.014  -0.969  1.00  6.07           H  
ATOM     51  N   GLN A   4       7.106   4.960   0.294  1.00  3.30           N  
ATOM     52  CA  GLN A   4       8.466   5.019   0.784  1.00  3.41           C  
ATOM     53  C   GLN A   4       8.696   4.002   1.893  1.00  3.21           C  
ATOM     54  O   GLN A   4       9.408   4.264   2.860  1.00  3.47           O  
ATOM     55  CB  GLN A   4       8.802   6.428   1.278  1.00  4.73           C  
ATOM     56  CG  GLN A   4       8.747   7.481   0.191  1.00  4.73           C  
ATOM     57  CD  GLN A   4       9.128   8.858   0.685  1.00  4.73           C  
ATOM     58  OE1 GLN A   4       8.726   9.287   1.770  1.00  4.73           O  
ATOM     59  NE2 GLN A   4       9.914   9.565  -0.116  1.00  4.73           N  
ATOM     60  H   GLN A   4       6.335   5.004   0.945  1.00  3.96           H  
ATOM     61  HA  GLN A   4       9.149   4.772  -0.027  1.00  4.09           H  
ATOM     62 1HB  GLN A   4       8.100   6.718   2.058  1.00  5.68           H  
ATOM     63 2HB  GLN A   4       9.802   6.442   1.710  1.00  5.68           H  
ATOM     64 1HG  GLN A   4       9.429   7.193  -0.609  1.00  5.68           H  
ATOM     65 2HG  GLN A   4       7.731   7.533  -0.189  1.00  5.68           H  
ATOM     66 1HE2 GLN A   4      10.204  10.487   0.151  1.00  5.68           H  
ATOM     67 2HE2 GLN A   4      10.218   9.179  -0.987  1.00  5.68           H  
ATOM     68  N   ALA A   5       8.178   2.793   1.684  1.00  3.12           N  
ATOM     69  CA  ALA A   5       8.430   1.658   2.564  1.00  3.38           C  
ATOM     70  C   ALA A   5       8.465   0.410   1.709  1.00  2.93           C  
ATOM     71  O   ALA A   5       8.236  -0.707   2.183  1.00  3.40           O  
ATOM     72  CB  ALA A   5       7.368   1.538   3.620  1.00  4.63           C  
ATOM     73  H   ALA A   5       7.522   2.670   0.901  1.00  3.74           H  
ATOM     74  HA  ALA A   5       9.404   1.787   3.033  1.00  4.06           H  
ATOM     75 1HB  ALA A   5       7.587   0.675   4.249  1.00  5.56           H  
ATOM     76 2HB  ALA A   5       7.349   2.448   4.216  1.00  5.56           H  
ATOM     77 3HB  ALA A   5       6.435   1.396   3.131  1.00  5.56           H  
ATOM     78  N   VAL A   6       8.738   0.646   0.439  1.00  2.40           N  
ATOM     79  CA  VAL A   6       8.714  -0.340  -0.621  1.00  2.49           C  
ATOM     80  C   VAL A   6       9.782  -1.403  -0.369  1.00  2.43           C  
ATOM     81  O   VAL A   6      10.920  -1.045  -0.067  1.00  2.75           O  
ATOM     82  CB  VAL A   6       8.927   0.406  -1.959  1.00  3.45           C  
ATOM     83  CG1 VAL A   6       9.046  -0.545  -3.123  1.00  3.45           C  
ATOM     84  CG2 VAL A   6       7.754   1.374  -2.168  1.00  3.45           C  
ATOM     85  H   VAL A   6       9.007   1.591   0.208  1.00  2.88           H  
ATOM     86  HA  VAL A   6       7.718  -0.766  -0.619  1.00  2.99           H  
ATOM     87  HB  VAL A   6       9.856   0.967  -1.904  1.00  4.14           H  
ATOM     88 1HG1 VAL A   6       9.206   0.023  -4.036  1.00  4.14           H  
ATOM     89 2HG1 VAL A   6       9.892  -1.208  -2.967  1.00  4.14           H  
ATOM     90 3HG1 VAL A   6       8.137  -1.126  -3.228  1.00  4.14           H  
ATOM     91 1HG2 VAL A   6       7.894   1.936  -3.089  1.00  4.14           H  
ATOM     92 2HG2 VAL A   6       6.822   0.820  -2.223  1.00  4.14           H  
ATOM     93 3HG2 VAL A   6       7.696   2.066  -1.342  1.00  4.14           H  
ATOM     94  N   HIS A   7       9.463  -2.707  -0.482  1.00  2.58           N  
ATOM     95  CA  HIS A   7       8.203  -3.301  -0.956  1.00  2.96           C  
ATOM     96  C   HIS A   7       7.261  -3.788   0.138  1.00  2.49           C  
ATOM     97  O   HIS A   7       6.484  -4.717  -0.098  1.00  3.10           O  
ATOM     98  CB  HIS A   7       8.522  -4.509  -1.843  1.00  3.99           C  
ATOM     99  CG  HIS A   7       9.274  -4.167  -3.068  1.00  3.99           C  
ATOM    100  ND1 HIS A   7      10.648  -4.041  -3.081  1.00  3.99           N  
ATOM    101  CD2 HIS A   7       8.861  -3.915  -4.329  1.00  3.99           C  
ATOM    102  CE1 HIS A   7      11.045  -3.727  -4.301  1.00  3.99           C  
ATOM    103  NE2 HIS A   7       9.981  -3.646  -5.078  1.00  3.99           N  
ATOM    104  H   HIS A   7      10.208  -3.358  -0.285  1.00  3.10           H  
ATOM    105  HA  HIS A   7       7.663  -2.602  -1.568  1.00  3.55           H  
ATOM    106 1HB  HIS A   7       9.110  -5.227  -1.277  1.00  4.79           H  
ATOM    107 2HB  HIS A   7       7.599  -5.002  -2.142  1.00  4.79           H  
ATOM    108  HD2 HIS A   7       7.831  -3.922  -4.685  1.00  4.79           H  
ATOM    109  HE1 HIS A   7      12.077  -3.564  -4.615  1.00  4.79           H  
ATOM    110  HE2 HIS A   7       9.985  -3.420  -6.064  1.00  4.79           H  
ATOM    111  N   THR A   8       7.323  -3.214   1.333  1.00  2.00           N  
ATOM    112  CA  THR A   8       6.484  -3.693   2.426  1.00  2.18           C  
ATOM    113  C   THR A   8       5.033  -3.622   1.967  1.00  1.65           C  
ATOM    114  O   THR A   8       4.516  -2.532   1.717  1.00  2.04           O  
ATOM    115  CB  THR A   8       6.676  -2.795   3.665  1.00  2.98           C  
ATOM    116  OG1 THR A   8       8.068  -2.710   4.001  1.00  2.98           O  
ATOM    117  CG2 THR A   8       5.969  -3.408   4.815  1.00  2.98           C  
ATOM    118  H   THR A   8       7.932  -2.417   1.506  1.00  2.40           H  
ATOM    119  HA  THR A   8       6.728  -4.723   2.665  1.00  2.62           H  
ATOM    120  HB  THR A   8       6.286  -1.802   3.477  1.00  3.58           H  
ATOM    121  HG1 THR A   8       8.489  -2.073   3.382  1.00  3.58           H  
ATOM    122 1HG2 THR A   8       6.116  -2.793   5.687  1.00  3.58           H  
ATOM    123 2HG2 THR A   8       4.906  -3.495   4.611  1.00  3.58           H  
ATOM    124 3HG2 THR A   8       6.387  -4.395   4.980  1.00  3.58           H  
ATOM    125  N   TYR A   9       4.323  -4.748   1.957  1.00  1.45           N  
ATOM    126  CA  TYR A   9       2.958  -4.770   1.420  1.00  1.51           C  
ATOM    127  C   TYR A   9       2.041  -3.763   2.109  1.00  1.25           C  
ATOM    128  O   TYR A   9       1.350  -2.971   1.456  1.00  1.46           O  
ATOM    129  CB  TYR A   9       2.354  -6.178   1.500  1.00  2.09           C  
ATOM    130  CG  TYR A   9       0.988  -6.255   0.887  1.00  2.09           C  
ATOM    131  CD1 TYR A   9       0.878  -6.365  -0.491  1.00  2.09           C  
ATOM    132  CD2 TYR A   9      -0.148  -6.206   1.666  1.00  2.09           C  
ATOM    133  CE1 TYR A   9      -0.361  -6.426  -1.083  1.00  2.09           C  
ATOM    134  CE2 TYR A   9      -1.384  -6.267   1.074  1.00  2.09           C  
ATOM    135  CZ  TYR A   9      -1.492  -6.375  -0.294  1.00  2.09           C  
ATOM    136  OH  TYR A   9      -2.732  -6.450  -0.875  1.00  2.09           O  
ATOM    137  H   TYR A   9       4.764  -5.611   2.242  1.00  1.74           H  
ATOM    138  HA  TYR A   9       3.012  -4.489   0.370  1.00  1.81           H  
ATOM    139 1HB  TYR A   9       3.004  -6.893   0.994  1.00  2.51           H  
ATOM    140 2HB  TYR A   9       2.266  -6.493   2.534  1.00  2.51           H  
ATOM    141  HD1 TYR A   9       1.778  -6.404  -1.106  1.00  2.51           H  
ATOM    142  HD2 TYR A   9      -0.075  -6.126   2.744  1.00  2.51           H  
ATOM    143  HE1 TYR A   9      -0.449  -6.516  -2.165  1.00  2.51           H  
ATOM    144  HE2 TYR A   9      -2.284  -6.236   1.688  1.00  2.51           H  
ATOM    145  HH  TYR A   9      -3.401  -6.524  -0.179  1.00  2.51           H  
ATOM    146  N   CYS A  10       2.056  -3.770   3.438  1.00  1.39           N  
ATOM    147  CA  CYS A  10       1.219  -2.882   4.241  1.00  1.61           C  
ATOM    148  C   CYS A  10       1.881  -1.530   4.543  1.00  1.53           C  
ATOM    149  O   CYS A  10       1.336  -0.721   5.292  1.00  1.93           O  
ATOM    150  CB  CYS A  10       0.885  -3.549   5.559  1.00  2.17           C  
ATOM    151  SG  CYS A  10      -0.084  -5.037   5.409  1.00  2.17           S  
ATOM    152  H   CYS A  10       2.631  -4.479   3.904  1.00  1.67           H  
ATOM    153  HA  CYS A  10       0.291  -2.708   3.699  1.00  1.93           H  
ATOM    154 1HB  CYS A  10       1.799  -3.782   6.071  1.00  2.60           H  
ATOM    155 2HB  CYS A  10       0.331  -2.877   6.173  1.00  2.60           H  
ATOM    156  HG  CYS A  10      -1.285  -4.466   5.131  1.00  2.60           H  
ATOM    157  N   GLY A  11       3.080  -1.304   4.022  1.00  1.46           N  
ATOM    158  CA  GLY A  11       3.818  -0.080   4.294  1.00  1.57           C  
ATOM    159  C   GLY A  11       4.488  -0.093   5.670  1.00  1.39           C  
ATOM    160  O   GLY A  11       4.244  -0.993   6.484  1.00  1.24           O  
ATOM    161  H   GLY A  11       3.457  -1.964   3.336  1.00  1.75           H  
ATOM    162 1HA  GLY A  11       4.571   0.055   3.519  1.00  1.88           H  
ATOM    163 2HA  GLY A  11       3.136   0.763   4.244  1.00  1.88           H  
ATOM    164  N   ARG A  12       5.290   0.941   5.946  1.00  1.63           N  
ATOM    165  CA  ARG A  12       5.990   1.076   7.224  1.00  1.67           C  
ATOM    166  C   ARG A  12       4.997   1.512   8.270  1.00  1.37           C  
ATOM    167  O   ARG A  12       5.003   1.051   9.415  1.00  1.41           O  
ATOM    168  CB  ARG A  12       7.150   2.063   7.167  1.00  2.32           C  
ATOM    169  CG  ARG A  12       7.863   2.324   8.518  1.00  2.32           C  
ATOM    170  CD  ARG A  12       8.473   1.095   9.113  1.00  2.32           C  
ATOM    171  NE  ARG A  12       9.204   1.396  10.336  1.00  2.32           N  
ATOM    172  CZ  ARG A  12       9.602   0.483  11.256  1.00  2.32           C  
ATOM    173  NH1 ARG A  12       9.339  -0.802  11.099  1.00  2.32           N  
ATOM    174  NH2 ARG A  12      10.264   0.888  12.328  1.00  2.32           N  
ATOM    175  H   ARG A  12       5.380   1.684   5.255  1.00  1.96           H  
ATOM    176  HA  ARG A  12       6.396   0.107   7.481  1.00  2.00           H  
ATOM    177 1HB  ARG A  12       7.907   1.689   6.489  1.00  2.78           H  
ATOM    178 2HB  ARG A  12       6.802   3.021   6.781  1.00  2.78           H  
ATOM    179 1HG  ARG A  12       8.660   3.050   8.362  1.00  2.78           H  
ATOM    180 2HG  ARG A  12       7.153   2.726   9.241  1.00  2.78           H  
ATOM    181 1HD  ARG A  12       7.685   0.405   9.373  1.00  2.78           H  
ATOM    182 2HD  ARG A  12       9.155   0.634   8.401  1.00  2.78           H  
ATOM    183  HE  ARG A  12       9.440   2.367  10.510  1.00  2.78           H  
ATOM    184 1HH1 ARG A  12       8.837  -1.125  10.287  1.00  2.78           H  
ATOM    185 2HH1 ARG A  12       9.644  -1.471  11.793  1.00  2.78           H  
ATOM    186 1HH2 ARG A  12      10.473   1.870  12.454  1.00  2.78           H  
ATOM    187 2HH2 ARG A  12      10.568   0.220  13.021  1.00  2.78           H  
ATOM    188  N   HIS A  13       4.088   2.377   7.837  1.00  1.34           N  
ATOM    189  CA  HIS A  13       3.048   2.937   8.689  1.00  1.40           C  
ATOM    190  C   HIS A  13       2.420   1.837   9.547  1.00  1.18           C  
ATOM    191  O   HIS A  13       2.212   2.018  10.755  1.00  1.44           O  
ATOM    192  CB  HIS A  13       1.984   3.610   7.807  1.00  1.94           C  
ATOM    193  CG  HIS A  13       0.811   4.193   8.539  1.00  1.94           C  
ATOM    194  ND1 HIS A  13       0.906   5.321   9.327  1.00  1.94           N  
ATOM    195  CD2 HIS A  13      -0.490   3.818   8.575  1.00  1.94           C  
ATOM    196  CE1 HIS A  13      -0.289   5.606   9.822  1.00  1.94           C  
ATOM    197  NE2 HIS A  13      -1.148   4.709   9.381  1.00  1.94           N  
ATOM    198  H   HIS A  13       4.168   2.693   6.869  1.00  1.61           H  
ATOM    199  HA  HIS A  13       3.478   3.688   9.351  1.00  1.68           H  
ATOM    200 1HB  HIS A  13       2.450   4.406   7.230  1.00  2.33           H  
ATOM    201 2HB  HIS A  13       1.601   2.879   7.093  1.00  2.33           H  
ATOM    202  HD2 HIS A  13      -0.933   2.973   8.058  1.00  2.33           H  
ATOM    203  HE1 HIS A  13      -0.522   6.441  10.481  1.00  2.33           H  
ATOM    204  HE2 HIS A  13      -2.136   4.681   9.597  1.00  2.33           H  
ATOM    205  N   LEU A  14       2.112   0.696   8.922  1.00  0.94           N  
ATOM    206  CA  LEU A  14       1.514  -0.412   9.634  1.00  0.84           C  
ATOM    207  C   LEU A  14       2.563  -1.428  10.117  1.00  0.70           C  
ATOM    208  O   LEU A  14       2.382  -2.022  11.187  1.00  0.85           O  
ATOM    209  CB  LEU A  14       0.460  -1.050   8.748  1.00  1.22           C  
ATOM    210  CG  LEU A  14      -0.713  -0.119   8.320  1.00  1.22           C  
ATOM    211  CD1 LEU A  14      -1.610  -0.869   7.362  1.00  1.22           C  
ATOM    212  CD2 LEU A  14      -1.514   0.348   9.552  1.00  1.22           C  
ATOM    213  H   LEU A  14       2.305   0.611   7.932  1.00  1.13           H  
ATOM    214  HA  LEU A  14       1.038  -0.027  10.528  1.00  1.01           H  
ATOM    215 1HB  LEU A  14       0.945  -1.424   7.853  1.00  1.46           H  
ATOM    216 2HB  LEU A  14       0.023  -1.875   9.287  1.00  1.46           H  
ATOM    217  HG  LEU A  14      -0.317   0.744   7.795  1.00  1.46           H  
ATOM    218 1HD1 LEU A  14      -2.428  -0.227   7.042  1.00  1.46           H  
ATOM    219 2HD1 LEU A  14      -1.045  -1.168   6.488  1.00  1.46           H  
ATOM    220 3HD1 LEU A  14      -2.023  -1.759   7.848  1.00  1.46           H  
ATOM    221 1HD2 LEU A  14      -2.332   0.989   9.224  1.00  1.46           H  
ATOM    222 2HD2 LEU A  14      -1.922  -0.520  10.070  1.00  1.46           H  
ATOM    223 3HD2 LEU A  14      -0.886   0.914  10.232  1.00  1.46           H  
ATOM    224  N   ALA A  15       3.715  -1.568   9.425  1.00  0.73           N  
ATOM    225  CA  ALA A  15       4.745  -2.539   9.820  1.00  0.89           C  
ATOM    226  C   ALA A  15       5.178  -2.321  11.250  1.00  0.92           C  
ATOM    227  O   ALA A  15       5.445  -3.277  11.989  1.00  1.11           O  
ATOM    228  CB  ALA A  15       5.957  -2.427   8.933  1.00  1.19           C  
ATOM    229  H   ALA A  15       3.853  -1.076   8.537  1.00  0.88           H  
ATOM    230  HA  ALA A  15       4.332  -3.523   9.744  1.00  1.07           H  
ATOM    231 1HB  ALA A  15       6.695  -3.167   9.232  1.00  1.43           H  
ATOM    232 2HB  ALA A  15       5.664  -2.595   7.909  1.00  1.43           H  
ATOM    233 3HB  ALA A  15       6.367  -1.451   9.037  1.00  1.43           H  
ATOM    234  N   ARG A  16       5.170  -1.062  11.678  1.00  0.93           N  
ATOM    235  CA  ARG A  16       5.531  -0.721  13.045  1.00  1.15           C  
ATOM    236  C   ARG A  16       4.825  -1.616  14.085  1.00  1.12           C  
ATOM    237  O   ARG A  16       5.409  -1.899  15.134  1.00  1.35           O  
ATOM    238  CB  ARG A  16       5.168   0.724  13.345  1.00  1.52           C  
ATOM    239  CG  ARG A  16       6.028   1.769  12.660  1.00  1.52           C  
ATOM    240  CD  ARG A  16       5.621   3.144  13.033  1.00  1.52           C  
ATOM    241  NE  ARG A  16       4.276   3.473  12.533  1.00  1.52           N  
ATOM    242  CZ  ARG A  16       3.598   4.597  12.786  1.00  1.52           C  
ATOM    243  NH1 ARG A  16       4.103   5.571  13.527  1.00  1.52           N  
ATOM    244  NH2 ARG A  16       2.402   4.687  12.265  1.00  1.52           N  
ATOM    245  H   ARG A  16       4.973  -0.323  10.994  1.00  1.12           H  
ATOM    246  HA  ARG A  16       6.608  -0.844  13.154  1.00  1.38           H  
ATOM    247 1HB  ARG A  16       4.136   0.896  13.040  1.00  1.82           H  
ATOM    248 2HB  ARG A  16       5.224   0.895  14.418  1.00  1.82           H  
ATOM    249 1HG  ARG A  16       7.068   1.630  12.948  1.00  1.82           H  
ATOM    250 2HG  ARG A  16       5.940   1.672  11.588  1.00  1.82           H  
ATOM    251 1HD  ARG A  16       5.616   3.234  14.119  1.00  1.82           H  
ATOM    252 2HD  ARG A  16       6.329   3.852  12.608  1.00  1.82           H  
ATOM    253  HE  ARG A  16       3.771   2.789  11.942  1.00  1.82           H  
ATOM    254 1HH1 ARG A  16       5.027   5.483  13.922  1.00  1.82           H  
ATOM    255 2HH1 ARG A  16       3.562   6.407  13.698  1.00  1.82           H  
ATOM    256 1HH2 ARG A  16       2.074   3.877  11.708  1.00  1.82           H  
ATOM    257 2HH2 ARG A  16       1.830   5.503  12.415  1.00  1.82           H  
ATOM    258  N   THR A  17       3.564  -2.031  13.828  1.00  1.04           N  
ATOM    259  CA  THR A  17       2.849  -2.873  14.788  1.00  1.25           C  
ATOM    260  C   THR A  17       2.532  -4.270  14.217  1.00  1.20           C  
ATOM    261  O   THR A  17       2.284  -5.210  14.977  1.00  1.50           O  
ATOM    262  CB  THR A  17       1.547  -2.190  15.267  1.00  1.67           C  
ATOM    263  OG1 THR A  17       0.648  -1.995  14.160  1.00  1.67           O  
ATOM    264  CG2 THR A  17       1.896  -0.828  15.865  1.00  1.67           C  
ATOM    265  H   THR A  17       3.093  -1.774  12.961  1.00  1.25           H  
ATOM    266  HA  THR A  17       3.486  -3.015  15.659  1.00  1.50           H  
ATOM    267  HB  THR A  17       1.065  -2.807  16.023  1.00  2.00           H  
ATOM    268  HG1 THR A  17       0.226  -2.832  13.940  1.00  2.00           H  
ATOM    269 1HG2 THR A  17       0.987  -0.341  16.211  1.00  2.00           H  
ATOM    270 2HG2 THR A  17       2.578  -0.966  16.705  1.00  2.00           H  
ATOM    271 3HG2 THR A  17       2.373  -0.204  15.113  1.00  2.00           H  
ATOM    272  N   LEU A  18       2.573  -4.420  12.885  1.00  0.92           N  
ATOM    273  CA  LEU A  18       2.286  -5.697  12.215  1.00  1.01           C  
ATOM    274  C   LEU A  18       3.457  -6.679  12.219  1.00  0.89           C  
ATOM    275  O   LEU A  18       3.256  -7.902  12.203  1.00  0.93           O  
ATOM    276  CB  LEU A  18       1.907  -5.466  10.749  1.00  1.38           C  
ATOM    277  CG  LEU A  18       0.597  -4.779  10.404  1.00  1.38           C  
ATOM    278  CD1 LEU A  18       0.576  -4.583   8.909  1.00  1.38           C  
ATOM    279  CD2 LEU A  18      -0.585  -5.633  10.833  1.00  1.38           C  
ATOM    280  H   LEU A  18       2.740  -3.594  12.309  1.00  1.10           H  
ATOM    281  HA  LEU A  18       1.466  -6.173  12.741  1.00  1.21           H  
ATOM    282 1HB  LEU A  18       2.662  -4.829  10.360  1.00  1.66           H  
ATOM    283 2HB  LEU A  18       1.971  -6.377  10.215  1.00  1.66           H  
ATOM    284  HG  LEU A  18       0.545  -3.805  10.892  1.00  1.66           H  
ATOM    285 1HD1 LEU A  18      -0.353  -4.094   8.610  1.00  1.66           H  
ATOM    286 2HD1 LEU A  18       1.424  -3.974   8.606  1.00  1.66           H  
ATOM    287 3HD1 LEU A  18       0.630  -5.554   8.429  1.00  1.66           H  
ATOM    288 1HD2 LEU A  18      -1.510  -5.131  10.551  1.00  1.66           H  
ATOM    289 2HD2 LEU A  18      -0.537  -6.598  10.340  1.00  1.66           H  
ATOM    290 3HD2 LEU A  18      -0.576  -5.778  11.908  1.00  1.66           H  
ATOM    291  N   ALA A  19       4.685  -6.158  12.217  1.00  0.92           N  
ATOM    292  CA  ALA A  19       5.870  -6.996  12.111  1.00  0.96           C  
ATOM    293  C   ALA A  19       5.717  -7.885  10.883  1.00  0.94           C  
ATOM    294  O   ALA A  19       5.408  -7.397   9.800  1.00  0.94           O  
ATOM    295  CB  ALA A  19       6.083  -7.812  13.385  1.00  1.33           C  
ATOM    296  H   ALA A  19       4.809  -5.143  12.240  1.00  1.10           H  
ATOM    297  HA  ALA A  19       6.734  -6.350  11.959  1.00  1.15           H  
ATOM    298 1HB  ALA A  19       6.989  -8.413  13.288  1.00  1.60           H  
ATOM    299 2HB  ALA A  19       6.193  -7.126  14.225  1.00  1.60           H  
ATOM    300 3HB  ALA A  19       5.233  -8.466  13.571  1.00  1.60           H  
ATOM    301  N   ASP A  20       5.826  -9.196  11.032  1.00  1.05           N  
ATOM    302  CA  ASP A  20       5.767 -10.099   9.883  1.00  1.18           C  
ATOM    303  C   ASP A  20       4.496  -9.981   9.030  1.00  1.08           C  
ATOM    304  O   ASP A  20       4.528 -10.259   7.826  1.00  1.22           O  
ATOM    305  CB  ASP A  20       5.887 -11.539  10.367  1.00  1.60           C  
ATOM    306  CG  ASP A  20       7.278 -11.880  10.892  1.00  1.60           C  
ATOM    307  OD1 ASP A  20       8.200 -11.130  10.669  1.00  1.60           O  
ATOM    308  OD2 ASP A  20       7.395 -12.887  11.537  1.00  1.60           O  
ATOM    309  H   ASP A  20       6.033  -9.587  11.938  1.00  1.26           H  
ATOM    310  HA  ASP A  20       6.621  -9.877   9.242  1.00  1.42           H  
ATOM    311 1HB  ASP A  20       5.157 -11.714  11.158  1.00  1.92           H  
ATOM    312 2HB  ASP A  20       5.647 -12.217   9.546  1.00  1.92           H  
ATOM    313  N   LEU A  21       3.371  -9.565   9.620  1.00  0.98           N  
ATOM    314  CA  LEU A  21       2.126  -9.471   8.876  1.00  1.09           C  
ATOM    315  C   LEU A  21       2.174  -8.402   7.794  1.00  1.09           C  
ATOM    316  O   LEU A  21       1.380  -8.425   6.863  1.00  1.31           O  
ATOM    317  CB  LEU A  21       0.959  -9.178   9.826  1.00  1.48           C  
ATOM    318  CG  LEU A  21       0.543 -10.258  10.820  1.00  1.48           C  
ATOM    319  CD1 LEU A  21      -0.485  -9.637  11.752  1.00  1.48           C  
ATOM    320  CD2 LEU A  21      -0.052 -11.477  10.094  1.00  1.48           C  
ATOM    321  H   LEU A  21       3.358  -9.304  10.611  1.00  1.18           H  
ATOM    322  HA  LEU A  21       1.957 -10.423   8.381  1.00  1.31           H  
ATOM    323 1HB  LEU A  21       1.229  -8.347  10.428  1.00  1.78           H  
ATOM    324 2HB  LEU A  21       0.099  -8.910   9.249  1.00  1.78           H  
ATOM    325  HG  LEU A  21       1.406 -10.570  11.410  1.00  1.78           H  
ATOM    326 1HD1 LEU A  21      -0.800 -10.371  12.492  1.00  1.78           H  
ATOM    327 2HD1 LEU A  21      -0.038  -8.778  12.263  1.00  1.78           H  
ATOM    328 3HD1 LEU A  21      -1.348  -9.308  11.174  1.00  1.78           H  
ATOM    329 1HD2 LEU A  21      -0.354 -12.222  10.830  1.00  1.78           H  
ATOM    330 2HD2 LEU A  21      -0.920 -11.175   9.518  1.00  1.78           H  
ATOM    331 3HD2 LEU A  21       0.682 -11.920   9.428  1.00  1.78           H  
ATOM    332  N   CYS A  22       3.119  -7.471   7.882  1.00  1.00           N  
ATOM    333  CA  CYS A  22       3.183  -6.387   6.916  1.00  1.19           C  
ATOM    334  C   CYS A  22       3.659  -6.838   5.547  1.00  1.23           C  
ATOM    335  O   CYS A  22       3.575  -6.087   4.572  1.00  1.40           O  
ATOM    336  CB  CYS A  22       4.070  -5.271   7.410  1.00  1.59           C  
ATOM    337  SG  CYS A  22       5.800  -5.655   7.473  1.00  1.59           S  
ATOM    338  H   CYS A  22       3.813  -7.525   8.632  1.00  1.20           H  
ATOM    339  HA  CYS A  22       2.188  -5.995   6.809  1.00  1.43           H  
ATOM    340 1HB  CYS A  22       3.934  -4.385   6.804  1.00  1.91           H  
ATOM    341 2HB  CYS A  22       3.760  -5.042   8.388  1.00  1.91           H  
ATOM    342  HG  CYS A  22       5.716  -6.562   8.451  1.00  1.91           H  
ATOM    343  N   TRP A  23       4.184  -8.057   5.467  1.00  1.22           N  
ATOM    344  CA  TRP A  23       4.630  -8.607   4.201  1.00  1.36           C  
ATOM    345  C   TRP A  23       3.587  -9.540   3.588  1.00  1.44           C  
ATOM    346  O   TRP A  23       3.817 -10.110   2.519  1.00  1.75           O  
ATOM    347  CB  TRP A  23       5.954  -9.320   4.395  1.00  1.85           C  
ATOM    348  CG  TRP A  23       7.048  -8.364   4.625  1.00  1.85           C  
ATOM    349  CD1 TRP A  23       7.611  -8.017   5.806  1.00  1.85           C  
ATOM    350  CD2 TRP A  23       7.733  -7.606   3.613  1.00  1.85           C  
ATOM    351  NE1 TRP A  23       8.590  -7.085   5.602  1.00  1.85           N  
ATOM    352  CE2 TRP A  23       8.677  -6.822   4.263  1.00  1.85           C  
ATOM    353  CE3 TRP A  23       7.620  -7.533   2.223  1.00  1.85           C  
ATOM    354  CZ2 TRP A  23       9.511  -5.964   3.576  1.00  1.85           C  
ATOM    355  CZ3 TRP A  23       8.460  -6.685   1.533  1.00  1.85           C  
ATOM    356  CH2 TRP A  23       9.381  -5.917   2.190  1.00  1.85           C  
ATOM    357  H   TRP A  23       4.266  -8.635   6.311  1.00  1.46           H  
ATOM    358  HA  TRP A  23       4.789  -7.783   3.510  1.00  1.63           H  
ATOM    359 1HB  TRP A  23       5.882  -9.983   5.260  1.00  2.22           H  
ATOM    360 2HB  TRP A  23       6.188  -9.927   3.525  1.00  2.22           H  
ATOM    361  HD1 TRP A  23       7.318  -8.415   6.783  1.00  2.22           H  
ATOM    362  HE1 TRP A  23       9.153  -6.658   6.323  1.00  2.22           H  
ATOM    363  HE3 TRP A  23       6.884  -8.138   1.692  1.00  2.22           H  
ATOM    364  HZ2 TRP A  23      10.248  -5.345   4.083  1.00  2.22           H  
ATOM    365  HZ3 TRP A  23       8.363  -6.643   0.450  1.00  2.22           H  
ATOM    366  HH2 TRP A  23      10.024  -5.252   1.615  1.00  2.22           H  
ATOM    367  N   GLU A  24       2.463  -9.727   4.283  1.00  1.50           N  
ATOM    368  CA  GLU A  24       1.409 -10.629   3.843  1.00  1.87           C  
ATOM    369  C   GLU A  24       0.368  -9.943   2.962  1.00  2.10           C  
ATOM    370  O   GLU A  24      -0.231  -8.939   3.328  1.00  2.28           O  
ATOM    371  CB  GLU A  24       0.784 -11.337   5.047  1.00  2.47           C  
ATOM    372  CG  GLU A  24      -0.434 -12.197   4.724  1.00  2.47           C  
ATOM    373  CD  GLU A  24      -0.202 -13.266   3.732  1.00  2.47           C  
ATOM    374  OE1 GLU A  24       0.665 -14.086   3.910  1.00  2.47           O  
ATOM    375  OE2 GLU A  24      -0.907 -13.230   2.740  1.00  2.47           O  
ATOM    376  H   GLU A  24       2.306  -9.211   5.153  1.00  1.80           H  
ATOM    377  HA  GLU A  24       1.874 -11.409   3.239  1.00  2.24           H  
ATOM    378 1HB  GLU A  24       1.533 -11.975   5.519  1.00  2.96           H  
ATOM    379 2HB  GLU A  24       0.493 -10.597   5.785  1.00  2.96           H  
ATOM    380 1HG  GLU A  24      -0.785 -12.654   5.649  1.00  2.96           H  
ATOM    381 2HG  GLU A  24      -1.216 -11.559   4.367  1.00  2.96           H  
ATOM    382  N   ALA A  25       0.178 -10.477   1.758  1.00  2.29           N  
ATOM    383  CA  ALA A  25      -0.756  -9.911   0.788  1.00  2.69           C  
ATOM    384  C   ALA A  25      -2.188  -9.871   1.325  1.00  2.74           C  
ATOM    385  O   ALA A  25      -2.962  -8.968   1.005  1.00  3.20           O  
ATOM    386  CB  ALA A  25      -0.709 -10.699  -0.499  1.00  3.61           C  
ATOM    387  H   ALA A  25       0.706 -11.307   1.512  1.00  2.75           H  
ATOM    388  HA  ALA A  25      -0.441  -8.898   0.584  1.00  3.23           H  
ATOM    389 1HB  ALA A  25      -1.383 -10.243  -1.225  1.00  4.33           H  
ATOM    390 2HB  ALA A  25       0.307 -10.691  -0.887  1.00  4.33           H  
ATOM    391 3HB  ALA A  25      -1.021 -11.726  -0.305  1.00  4.33           H  
ATOM    392  N   GLY A  26      -2.547 -10.843   2.164  1.00  2.72           N  
ATOM    393  CA  GLY A  26      -3.883 -10.921   2.738  1.00  3.02           C  
ATOM    394  C   GLY A  26      -4.127  -9.968   3.923  1.00  2.81           C  
ATOM    395  O   GLY A  26      -5.212  -9.979   4.508  1.00  3.18           O  
ATOM    396  H   GLY A  26      -1.895 -11.611   2.377  1.00  3.26           H  
ATOM    397 1HA  GLY A  26      -4.614 -10.718   1.956  1.00  3.62           H  
ATOM    398 2HA  GLY A  26      -4.056 -11.945   3.064  1.00  3.62           H  
ATOM    399  N   VAL A  27      -3.130  -9.169   4.305  1.00  2.57           N  
ATOM    400  CA  VAL A  27      -3.266  -8.239   5.420  1.00  2.74           C  
ATOM    401  C   VAL A  27      -3.396  -6.802   4.933  1.00  3.10           C  
ATOM    402  O   VAL A  27      -2.586  -6.326   4.148  1.00  3.55           O  
ATOM    403  CB  VAL A  27      -2.056  -8.368   6.373  1.00  3.77           C  
ATOM    404  CG1 VAL A  27      -2.115  -7.343   7.525  1.00  3.77           C  
ATOM    405  CG2 VAL A  27      -2.045  -9.762   6.951  1.00  3.77           C  
ATOM    406  H   VAL A  27      -2.238  -9.181   3.796  1.00  3.08           H  
ATOM    407  HA  VAL A  27      -4.169  -8.492   5.974  1.00  3.29           H  
ATOM    408  HB  VAL A  27      -1.135  -8.190   5.801  1.00  4.52           H  
ATOM    409 1HG1 VAL A  27      -1.248  -7.464   8.152  1.00  4.52           H  
ATOM    410 2HG1 VAL A  27      -2.120  -6.327   7.133  1.00  4.52           H  
ATOM    411 3HG1 VAL A  27      -3.014  -7.498   8.113  1.00  4.52           H  
ATOM    412 1HG2 VAL A  27      -1.184  -9.876   7.590  1.00  4.52           H  
ATOM    413 2HG2 VAL A  27      -2.953  -9.929   7.518  1.00  4.52           H  
ATOM    414 3HG2 VAL A  27      -1.995 -10.468   6.160  1.00  4.52           H  
ATOM    415  N   ASP A  28      -4.413  -6.112   5.412  1.00  3.38           N  
ATOM    416  CA  ASP A  28      -4.610  -4.723   5.041  1.00  4.04           C  
ATOM    417  C   ASP A  28      -3.845  -3.837   6.011  1.00  4.46           C  
ATOM    418  O   ASP A  28      -2.955  -3.095   5.599  1.00  5.05           O  
ATOM    419  OXT ASP A  28      -3.883  -4.145   7.204  1.00  6.07           O  
ATOM    420  CB  ASP A  28      -6.095  -4.364   5.062  1.00  5.06           C  
ATOM    421  CG  ASP A  28      -6.908  -5.021   3.935  1.00  5.06           C  
ATOM    422  OD1 ASP A  28      -6.432  -5.116   2.823  1.00  5.06           O  
ATOM    423  OD2 ASP A  28      -8.008  -5.430   4.215  1.00  5.06           O  
ATOM    424  H   ASP A  28      -5.063  -6.566   6.037  1.00  4.06           H  
ATOM    425  HA  ASP A  28      -4.220  -4.561   4.036  1.00  4.85           H  
ATOM    426 1HB  ASP A  28      -6.524  -4.661   6.019  1.00  6.07           H  
ATOM    427 2HB  ASP A  28      -6.205  -3.281   4.982  1.00  6.07           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 -138.543 16.6796 100.124 -9.13027 1.93488 6.39196 51.1222 -56.4131 -0.09708 -0.65955 -42.9929 -4.49493 -16.6229 -2.01517 -7.73561 0 0 0.18022 1.20941 7.70046 25.7838 -4.91884 4.54485 7.53494 0.31662 14.1333 -45.9677
GLN:NtermProteinFull_1 -5.1182 0.32948 3.49403 -0.41001 0.05266 0.27162 1.12077 -1.90078 -0 -0 -2.53979 0.74801 0 0 0 0 0 -0.09298 0.00379 0 4.00531 0 0 -0.18838 0 0.05116 -0.1733
GLN_2 -6.0584 0.92526 4.81159 -0.31061 0.03327 0.1966 2.9946 -2.46158 -0.00053 -0.01137 -2.99389 -0.12735 0 0 -1.38578 0 0 0.09913 0.0175 0 2.77502 0.12376 0 -0.18838 -0.17291 0.9541 -0.77998
PRO_3 -2.55281 0.53905 1.19227 -0.08727 0.00032 0.05411 0.48232 -0.57847 -0 -0 0.3804 0.6654 0 0 0 0 0 -0.08014 0.01638 0.61749 0 -0.51319 0 -2.4119 -0.37821 1.23578 -1.41847
GLN_4 -2.1819 0.24281 1.66349 -0.28323 0.0544 0.25106 0.63223 -0.8409 -0 -0 0.51337 -0.81468 0 0 0 0 0 0.37287 0.01472 0 2.77019 -0.0542 0 -0.18838 0.24785 0.49051 2.8902
ALA_5 -4.40917 0.55647 2.8979 -0.02832 0.01114 0 2.4859 -1.93809 -0 -0 -3.06424 -0.45175 0 0 0 0 0 0.1609 0 0 0 0.07829 0 1.8394 1.27959 0.50437 -0.07762
VAL_6 -4.7009 0.58341 1.73849 -0.27622 0.16958 0.05399 1.1323 -1.57166 -0 -0 0.47811 0.28109 0 0 0 0 0 0.20262 0.00705 0.14874 0 -0.2154 0 1.9342 0.51499 0.9199 1.4003
HIS_7 -4.52868 0.72472 2.25446 -0.46481 0.05786 0.58261 0.70374 -1.61228 -0 -0 -0.06794 -0.45231 0 0 0 0 0 0.06718 0.01065 0 2.29697 -0.47579 0 -0.45461 -0.29785 0.88012 -0.77596
THR_8 -7.61804 0.79322 4.90138 -0.18172 0.07369 0.0681 2.72674 -3.10463 -0.00053 -0.01137 -3.97382 0.21917 0 0 0 0 0 0.05556 0.15125 0.02928 0 0.12312 2.25445 -1.0874 0.10497 0.72507 -3.75151
TYR_9 -6.84973 0.6475 4.77828 -0.93355 0.05493 0.34663 2.76568 -2.8891 -0 -0 -1.58807 -0.26882 0 0 0 0 0 -0.01313 0.13513 0 1.79527 -0.401 0.02939 1.2797 0.11005 0.55327 -0.44758
CYS_10 -7.06935 0.7211 3.78944 -0.05389 0.01444 0.02262 1.60645 -2.05763 -0.01183 -0.12548 -1.79524 -0.47769 0 0 0 0 0 -0.05101 0.01364 0.36869 0 0.29169 0 3.6196 -0.21809 0.42316 -0.98937
GLY_11 -4.90842 0.39228 3.96045 -0.0002 0 0 2.36891 -2.34477 -0 -0 -2.20922 -0.1538 0 0 0 0 0 -0.02376 0 0 0 -1.48833 0 0.83697 -0.13889 0.39909 -3.30969
ARG_12 -5.8345 0.82688 5.21462 -0.92617 0.24487 0.78171 2.67982 -2.65902 -0.0056 -0.03631 -1.04866 0.02368 0 0 -0.39882 0 0 -0.01335 0.10974 2.61732 0 -0.12763 0 -1.2888 0.01788 0.34653 0.52418
HIS_13 -4.62027 0.22958 4.41414 -0.65228 0.00559 0.68974 1.70031 -2.12081 -0 -0 -1.73996 -0.30714 0 0 -2.32974 0 0 -0.0062 0.01546 0 1.60462 -0.19417 0 -0.45461 0.26454 0.31106 -3.19013
LEU_14 -6.54836 0.88189 5.3059 -0.49773 0.30559 0.12495 2.94411 -2.79062 -0.01108 -0.07137 -2.41077 0.169 0 0 0 0 0 -0.00814 0.02106 0.24819 0 -0.28105 0 0.18072 0.32175 0.48814 -1.62782
ALA_15 -5.85995 0.92552 4.23992 -0.02355 0 0 2.86784 -2.72331 -0 -0 -1.47197 -0.37195 0 0 0 0 0 0.01349 0 0 0 -0.42198 0 1.8394 -0.2876 0.60308 -0.67105
ARG_16 -4.99665 0.41207 5.51823 -0.65306 0.07033 0.4292 2.14594 -2.45291 -0.0056 -0.03631 -2.63072 0.58812 0 0 -1.34278 0 0 -0.07217 0.04951 2.14355 0 -0.18818 0 -1.2888 -0.21096 0.56073 -1.96046
THR_17 -2.36572 0.29289 2.77437 -0.11506 0.0743 0.05964 1.08294 -1.39589 -0 -0 -0.53696 -0.77888 0 0 0 0 0 0.05975 0.01417 0.18944 0 -0.65168 2.26101 -1.0874 -0.04821 0.55396 0.38267
LEU_18 -8.11408 0.87932 3.70287 -0.50557 0.191 0.13186 1.99642 -2.44358 -0 -0 -1.58953 0.21529 0 0 0 0 0 -0.01575 0.06404 0.30075 0 -0.27557 0 0.18072 -0.20489 0.53559 -4.95111
ALA_19 -3.26982 0.62788 4.03293 -0.01031 0 0 2.29672 -2.00561 -0.02014 -0.12213 -3.0875 -0.28435 0 0 0 0 0 -0.0701 0 0 0 0.42003 0 1.8394 0.85817 0.59912 1.80427
ASP_20 -2.44674 0.28328 2.67739 -0.11941 0.01539 0.37219 1.35859 -1.34041 -0 -0 -0.62157 -0.46216 0 0 0 0 0 -0.12975 0.02045 0 1.75267 -0.01784 0 -2.3716 0.83358 0.41949 0.22354
LEU_21 -5.81595 0.70848 3.37754 -0.50567 0.20587 0.13764 2.15359 -2.08593 -0.00028 -0.00113 -1.30952 0.19474 0 0 0 0 0 -0.04825 0.0338 0.25418 0 -0.09746 0 0.18072 -0.26562 0.41144 -2.4718
CYS_22 -8.52089 1.57657 4.79816 -0.08529 0.00061 0.05009 2.85876 -2.74237 -0 -0 -3.24452 0.06201 0 0 0 0 0 0.03883 0.01289 0.51391 0 0.16242 0 3.6196 -0.36941 0.39494 -0.87368
TRP_23 -6.04355 0.58937 3.21223 -0.98601 0.05032 0.40516 1.42738 -2.10585 -0.01109 -0.05699 -0.99202 -0.39552 0 0 0 0 0 -0.04449 0.09043 0 1.86644 -0.04408 0 1.6906 -0.43408 0.29234 -1.4894
GLU_24 -5.45933 0.55729 6.02277 -0.59977 0.08016 0.88777 3.05514 -2.79562 -0.00028 -0.00113 -2.14027 -1.2934 0 0 -1.13924 0 0 -0.067 0.39342 0 4.0913 0.16504 0 -2.7348 -0.19303 0.35887 -0.81212
ALA_25 -2.99346 0.36792 2.23948 -0.02334 0 0 0.98287 -1.45431 -0 -0 0.04325 -0.37137 0 0 0 0 0 -0.0702 0 0 0 -0.34471 0 1.8394 -0.35927 0.32789 0.18415
GLY_26 -1.7714 0.24725 2.13843 -5e-05 0 0 0.79547 -1.04435 -0.01016 -0.03336 -1.2804 -0.39962 0 0 -1.13924 0 0 -0.07468 0 0 0 0.18838 0 0.83697 -0.31822 0.25286 -1.61212
VAL_27 -5.88845 0.75369 2.83473 -0.27514 0.1628 0.05688 1.47913 -1.95632 -0 -0 -0.95984 -0.17724 0 0 0 0 0 -0.00901 0.01249 0.26893 0 -0.67933 0 1.9342 -0.14432 0.26631 -2.32048
ASP:CtermProteinFull_28 -1.99869 0.06442 2.1384 -0.12202 0.00575 0.41778 0.27751 -0.99632 -0.01996 -0.15261 -1.11162 -0.07342 0 0 0 0 0 0 0.00183 0 2.82602 0 0 -2.3716 -0.19519 0.27443 -1.03528
#END_POSE_ENERGIES_TABLE best_scoring0001_0001.pdb

ENDMDL

REMARK ID 701835 DOMAINID 692256 MODEL 2 BOMBYXIN-II
MODEL     2
REMARK    Rerank model02.pdb score: 15.580
REMARK    CLUSTER 0002 t000_.out.valid.rescored.best_scoring.binary cluster_size: 18 cluster_threshold: 3.487858
REMARK    SCORE          fa_rep:          14.828
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE           omega:          -0.526
REMARK    SCORE     cart_bonded:          13.025
REMARK    SCORE        hbond_sc:           0.000
REMARK    SCORE     lk_ball_wtd:          -6.141
REMARK    SCORE           score:         -99.054
REMARK    SCORE dihedral_constraint:           0.000
REMARK    SCORE    fa_intra_rep:           0.247
REMARK    SCORE            time:           0.000
REMARK    SCORE     hbond_sr_bb:         -19.018
REMARK    SCORE     description: cluster0002_0001
REMARK    SCORE         fa_elec:         -31.592
REMARK    SCORE          fa_dun:          34.959
REMARK    SCORE     rama_prepro:          -4.047
REMARK    SCORE       dslf_fa13:          -1.448
REMARK    SCORE     total_score:         -99.054
REMARK    SCORE atom_pair_constraint:         -62.387
REMARK    SCORE     hbond_lr_bb:          -4.445
REMARK    SCORE          fa_sol:          84.105
REMARK    SCORE angle_constraint:           0.000
REMARK    SCORE             ref:          15.018
REMARK    SCORE         p_aa_pp:          -5.388
REMARK    SCORE     hbond_bb_sc:           0.000
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE          fa_atr:        -132.858
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE fa_intra_sol_xover4:           6.615
REMARK    SCORE coordinate_constraint:           0.000
SSBOND     CYS A   10    CYS A   22                                       2.03  
ATOM      1  N   GLN A   1       0.466  -0.236  -0.506  1.00  6.470          N  
ATOM      2  CA  GLN A   1       1.923  -0.147  -0.479  1.00  6.020          C  
ATOM      3  C   GLN A   1       2.376   1.306  -0.436  1.00  5.340          C  
ATOM      4  O   GLN A   1       2.573   1.868   0.640  1.00  5.530          O  
ATOM      5  CB  GLN A   1       2.542  -0.864  -1.688  1.00  8.610          C  
ATOM      6  CG  GLN A   1       2.415  -2.389  -1.678  1.00  8.610          C  
ATOM      7  CD  GLN A   1       3.002  -3.005  -2.934  1.00  8.610          C  
ATOM      8  OE1 GLN A   1       3.120  -2.320  -3.952  1.00  8.610          O  
ATOM      9  NE2 GLN A   1       3.367  -4.280  -2.871  1.00  8.610          N  
ATOM     10 1H   GLN A   1       0.178  -1.201  -0.551  1.00  7.760          H  
ATOM     11 2H   GLN A   1       0.089   0.189   0.330  1.00  7.760          H  
ATOM     12 3H   GLN A   1       0.121   0.260  -1.316  1.00  7.760          H  
ATOM     13  HA  GLN A   1       2.281  -0.634   0.428  1.00  7.220          H  
ATOM     14 1HB  GLN A   1       2.064  -0.514  -2.601  1.00 10.330          H  
ATOM     15 2HB  GLN A   1       3.602  -0.615  -1.754  1.00 10.330          H  
ATOM     16 1HG  GLN A   1       2.956  -2.787  -0.818  1.00 10.330          H  
ATOM     17 2HG  GLN A   1       1.366  -2.672  -1.624  1.00 10.330          H  
ATOM     18 1HE2 GLN A   1       3.759  -4.729  -3.675  1.00 10.330          H  
ATOM     19 2HE2 GLN A   1       3.251  -4.796  -2.021  1.00 10.330          H  
ATOM     20  N   GLN A   2       2.545   1.913  -1.604  1.00  4.820          N  
ATOM     21  CA  GLN A   2       2.971   3.300  -1.673  1.00  4.390          C  
ATOM     22  C   GLN A   2       1.762   4.224  -1.821  1.00  4.000          C  
ATOM     23  O   GLN A   2       0.746   3.786  -2.367  1.00  4.020          O  
ATOM     24  CB  GLN A   2       3.937   3.485  -2.849  1.00  6.320          C  
ATOM     25  CG  GLN A   2       5.205   2.699  -2.725  1.00  6.320          C  
ATOM     26  CD  GLN A   2       5.978   3.159  -1.529  1.00  6.320          C  
ATOM     27  OE1 GLN A   2       6.204   4.363  -1.375  1.00  6.320          O  
ATOM     28  NE2 GLN A   2       6.383   2.232  -0.674  1.00  6.320          N  
ATOM     29  H   GLN A   2       2.375   1.422  -2.471  1.00  5.780          H  
ATOM     30  HA  GLN A   2       3.501   3.513  -0.755  1.00  5.270          H  
ATOM     31 1HB  GLN A   2       3.452   3.157  -3.767  1.00  7.580          H  
ATOM     32 2HB  GLN A   2       4.198   4.525  -2.981  1.00  7.580          H  
ATOM     33 1HG  GLN A   2       4.972   1.643  -2.604  1.00  7.580          H  
ATOM     34 2HG  GLN A   2       5.813   2.855  -3.619  1.00  7.580          H  
ATOM     35 1HE2 GLN A   2       6.901   2.495   0.143  1.00  7.580          H  
ATOM     36 2HE2 GLN A   2       6.180   1.267  -0.839  1.00  7.580          H  
ATOM     37  N   PRO A   3       1.860   5.524  -1.424  1.00  4.050          N  
ATOM     38  CA  PRO A   3       0.841   6.574  -1.566  1.00  4.060          C  
ATOM     39  C   PRO A   3       0.391   6.746  -3.011  1.00  3.660          C  
ATOM     40  O   PRO A   3      -0.744   7.183  -3.263  1.00  3.270          O  
ATOM     41  CB  PRO A   3       1.574   7.825  -1.071  1.00  6.090          C  
ATOM     42  CG  PRO A   3       2.620   7.314  -0.110  1.00  6.090          C  
ATOM     43  CD  PRO A   3       3.073   5.987  -0.671  1.00  6.090          C  
ATOM     44  HA  PRO A   3      -0.015   6.336  -0.918  1.00  4.870          H  
ATOM     45 1HB  PRO A   3       2.002   8.378  -1.925  1.00  7.310          H  
ATOM     46 2HB  PRO A   3       0.858   8.500  -0.585  1.00  7.310          H  
ATOM     47 1HG  PRO A   3       3.445   8.041  -0.032  1.00  7.310          H  
ATOM     48 2HG  PRO A   3       2.190   7.218   0.899  1.00  7.310          H  
ATOM     49 1HD  PRO A   3       3.949   6.114  -1.323  1.00  7.310          H  
ATOM     50 2HD  PRO A   3       3.285   5.353   0.200  1.00  7.310          H  
ATOM     51  N   GLN A   4       1.274   6.310  -3.922  1.00  4.110          N  
ATOM     52  CA  GLN A   4       1.158   6.310  -5.377  1.00  4.270          C  
ATOM     53  C   GLN A   4      -0.125   5.632  -5.823  1.00  4.060          C  
ATOM     54  O   GLN A   4      -0.710   5.996  -6.850  1.00  4.330          O  
ATOM     55  CB  GLN A   4       2.340   5.545  -5.961  1.00  5.910          C  
ATOM     56  CG  GLN A   4       3.674   6.235  -5.799  1.00  5.910          C  
ATOM     57  CD  GLN A   4       4.819   5.341  -6.202  1.00  5.910          C  
ATOM     58  OE1 GLN A   4       4.671   4.114  -6.195  1.00  5.910          O  
ATOM     59  NE2 GLN A   4       5.955   5.930  -6.551  1.00  5.910          N  
ATOM     60  H   GLN A   4       2.147   5.964  -3.561  1.00  4.930          H  
ATOM     61  HA  GLN A   4       1.166   7.335  -5.739  1.00  5.120          H  
ATOM     62 1HB  GLN A   4       2.396   4.563  -5.500  1.00  7.100          H  
ATOM     63 2HB  GLN A   4       2.171   5.396  -7.029  1.00  7.100          H  
ATOM     64 1HG  GLN A   4       3.685   7.114  -6.446  1.00  7.100          H  
ATOM     65 2HG  GLN A   4       3.810   6.529  -4.761  1.00  7.100          H  
ATOM     66 1HE2 GLN A   4       6.743   5.377  -6.822  1.00  7.100          H  
ATOM     67 2HE2 GLN A   4       6.029   6.929  -6.544  1.00  7.100          H  
ATOM     68  N   ALA A   5      -0.646   4.728  -4.979  1.00  3.940          N  
ATOM     69  CA  ALA A   5      -1.857   4.005  -5.301  1.00  4.130          C  
ATOM     70  C   ALA A   5      -2.974   4.990  -5.624  1.00  3.620          C  
ATOM     71  O   ALA A   5      -3.841   4.709  -6.460  1.00  3.920          O  
ATOM     72  CB  ALA A   5      -2.273   3.121  -4.146  1.00  5.710          C  
ATOM     73  H   ALA A   5      -0.153   4.505  -4.106  1.00  4.730          H  
ATOM     74  HA  ALA A   5      -1.660   3.387  -6.162  1.00  4.960          H  
ATOM     75 1HB  ALA A   5      -3.173   2.576  -4.408  1.00  6.850          H  
ATOM     76 2HB  ALA A   5      -1.469   2.418  -3.924  1.00  6.850          H  
ATOM     77 3HB  ALA A   5      -2.462   3.739  -3.270  1.00  6.850          H  
ATOM     78  N   VAL A   6      -2.968   6.136  -4.952  1.00  3.160          N  
ATOM     79  CA  VAL A   6      -3.950   7.159  -5.182  1.00  3.110          C  
ATOM     80  C   VAL A   6      -3.295   8.354  -5.856  1.00  2.830          C  
ATOM     81  O   VAL A   6      -3.804   8.863  -6.849  1.00  3.080          O  
ATOM     82  CB  VAL A   6      -4.652   7.555  -3.876  1.00  4.370          C  
ATOM     83  CG1 VAL A   6      -5.624   8.714  -4.126  1.00  4.370          C  
ATOM     84  CG2 VAL A   6      -5.404   6.328  -3.343  1.00  4.370          C  
ATOM     85  H   VAL A   6      -2.233   6.319  -4.265  1.00  3.790          H  
ATOM     86  HA  VAL A   6      -4.704   6.771  -5.851  1.00  3.730          H  
ATOM     87  HB  VAL A   6      -3.911   7.884  -3.147  1.00  5.250          H  
ATOM     88 1HG1 VAL A   6      -6.118   8.981  -3.193  1.00  5.250          H  
ATOM     89 2HG1 VAL A   6      -5.087   9.585  -4.503  1.00  5.250          H  
ATOM     90 3HG1 VAL A   6      -6.373   8.409  -4.859  1.00  5.250          H  
ATOM     91 1HG2 VAL A   6      -5.906   6.583  -2.412  1.00  5.250          H  
ATOM     92 2HG2 VAL A   6      -6.139   6.008  -4.079  1.00  5.250          H  
ATOM     93 3HG2 VAL A   6      -4.700   5.520  -3.163  1.00  5.250          H  
ATOM     94  N   HIS A   7      -2.133   8.782  -5.365  1.00  2.940          N  
ATOM     95  CA  HIS A   7      -1.513  10.014  -5.858  1.00  3.220          C  
ATOM     96  C   HIS A   7      -1.239  10.018  -7.360  1.00  2.790          C  
ATOM     97  O   HIS A   7      -1.337  11.068  -8.000  1.00  3.280          O  
ATOM     98  CB  HIS A   7      -0.192  10.289  -5.134  1.00  4.400          C  
ATOM     99  CG  HIS A   7      -0.342  10.652  -3.697  1.00  4.400          C  
ATOM    100  ND1 HIS A   7       0.743  10.883  -2.878  1.00  4.400          N  
ATOM    101  CD2 HIS A   7      -1.440  10.808  -2.917  1.00  4.400          C  
ATOM    102  CE1 HIS A   7       0.318  11.176  -1.663  1.00  4.400          C  
ATOM    103  NE2 HIS A   7      -0.999  11.134  -1.659  1.00  4.400          N  
ATOM    104  H   HIS A   7      -1.705   8.286  -4.581  1.00  3.530          H  
ATOM    105  HA  HIS A   7      -2.182  10.849  -5.658  1.00  3.860          H  
ATOM    106 1HB  HIS A   7       0.436   9.413  -5.189  1.00  5.280          H  
ATOM    107 2HB  HIS A   7       0.334  11.096  -5.639  1.00  5.280          H  
ATOM    108  HD2 HIS A   7      -2.482  10.695  -3.221  1.00  5.280          H  
ATOM    109  HE1 HIS A   7       0.951  11.406  -0.805  1.00  5.280          H  
ATOM    110  HE2 HIS A   7      -1.594  11.312  -0.862  1.00  5.280          H  
ATOM    111  N   THR A   8      -0.869   8.871  -7.927  1.00  2.320          N  
ATOM    112  CA  THR A   8      -0.588   8.755  -9.340  1.00  2.260          C  
ATOM    113  C   THR A   8      -1.511   7.689  -9.921  1.00  1.910          C  
ATOM    114  O   THR A   8      -1.222   7.098 -10.956  1.00  2.330          O  
ATOM    115  CB  THR A   8       0.903   8.448  -9.606  1.00  3.190          C  
ATOM    116  OG1 THR A   8       1.279   7.254  -8.956  1.00  3.190          O  
ATOM    117  CG2 THR A   8       1.762   9.566  -9.059  1.00  3.190          C  
ATOM    118  H   THR A   8      -0.787   8.006  -7.388  1.00  2.780          H  
ATOM    119  HA  THR A   8      -0.828   9.698  -9.830  1.00  2.710          H  
ATOM    120  HB  THR A   8       1.067   8.342 -10.678  1.00  3.830          H  
ATOM    121  HG1 THR A   8       0.866   6.509  -9.414  1.00  3.830          H  
ATOM    122 1HG2 THR A   8       2.808   9.342  -9.244  1.00  3.830          H  
ATOM    123 2HG2 THR A   8       1.494  10.501  -9.549  1.00  3.830          H  
ATOM    124 3HG2 THR A   8       1.603   9.659  -7.988  1.00  3.830          H  
ATOM    125  N   TYR A   9      -2.619   7.424  -9.216  1.00  1.880          N  
ATOM    126  CA  TYR A   9      -3.633   6.446  -9.604  1.00  1.950          C  
ATOM    127  C   TYR A   9      -3.110   5.037  -9.883  1.00  1.540          C  
ATOM    128  O   TYR A   9      -3.543   4.422 -10.857  1.00  1.740          O  
ATOM    129  CB  TYR A   9      -4.343   6.912 -10.869  1.00  2.700          C  
ATOM    130  CG  TYR A   9      -4.970   8.285 -10.807  1.00  2.700          C  
ATOM    131  CD1 TYR A   9      -4.271   9.368 -11.295  1.00  2.700          C  
ATOM    132  CD2 TYR A   9      -6.238   8.462 -10.307  1.00  2.700          C  
ATOM    133  CE1 TYR A   9      -4.829  10.619 -11.281  1.00  2.700          C  
ATOM    134  CE2 TYR A   9      -6.808   9.709 -10.288  1.00  2.700          C  
ATOM    135  CZ  TYR A   9      -6.108  10.789 -10.773  1.00  2.700          C  
ATOM    136  OH  TYR A   9      -6.680  12.040 -10.756  1.00  2.700          O  
ATOM    137  H   TYR A   9      -2.811   7.984  -8.382  1.00  2.260          H  
ATOM    138  HA  TYR A   9      -4.350   6.374  -8.786  1.00  2.340          H  
ATOM    139 1HB  TYR A   9      -3.650   6.888 -11.715  1.00  3.240          H  
ATOM    140 2HB  TYR A   9      -5.129   6.204 -11.086  1.00  3.240          H  
ATOM    141  HD1 TYR A   9      -3.277   9.225 -11.689  1.00  3.240          H  
ATOM    142  HD2 TYR A   9      -6.795   7.625  -9.942  1.00  3.240          H  
ATOM    143  HE1 TYR A   9      -4.269  11.470 -11.667  1.00  3.240          H  
ATOM    144  HE2 TYR A   9      -7.816   9.844  -9.896  1.00  3.240          H  
ATOM    145  HH  TYR A   9      -6.065  12.681 -11.121  1.00  3.240          H  
ATOM    146  N   CYS A  10      -2.201   4.511  -9.065  1.00  1.470          N  
ATOM    147  CA  CYS A  10      -1.654   3.182  -9.334  1.00  1.670          C  
ATOM    148  C   CYS A  10      -2.399   2.039  -8.646  1.00  1.690          C  
ATOM    149  O   CYS A  10      -2.054   0.872  -8.831  1.00  2.250          O  
ATOM    150  CB  CYS A  10      -0.192   3.139  -8.920  1.00  2.260          C  
ATOM    151  SG  CYS A  10       0.825   4.263  -9.853  1.00  2.260          S  
ATOM    152  H   CYS A  10      -1.854   5.043  -8.271  1.00  1.760          H  
ATOM    153  HA  CYS A  10      -1.706   3.015 -10.407  1.00  2.000          H  
ATOM    154 1HB  CYS A  10      -0.097   3.396  -7.869  1.00  2.710          H  
ATOM    155 2HB  CYS A  10       0.200   2.131  -9.053  1.00  2.710          H  
ATOM    156  N   GLY A  11      -3.395   2.352  -7.831  1.00  1.780          N  
ATOM    157  CA  GLY A  11      -4.154   1.336  -7.127  1.00  2.110          C  
ATOM    158  C   GLY A  11      -5.041   0.621  -8.121  1.00  1.870          C  
ATOM    159  O   GLY A  11      -5.545   1.220  -9.063  1.00  1.560          O  
ATOM    160  H   GLY A  11      -3.634   3.330  -7.702  1.00  2.140          H  
ATOM    161 1HA  GLY A  11      -3.479   0.633  -6.641  1.00  2.530          H  
ATOM    162 2HA  GLY A  11      -4.759   1.809  -6.357  1.00  2.530          H  
ATOM    163  N   ARG A  12      -5.368  -0.640  -7.883  1.00  2.220          N  
ATOM    164  CA  ARG A  12      -6.196  -1.345  -8.869  1.00  2.230          C  
ATOM    165  C   ARG A  12      -7.540  -0.665  -9.147  1.00  1.970          C  
ATOM    166  O   ARG A  12      -8.000  -0.621 -10.296  1.00  1.980          O  
ATOM    167  CB  ARG A  12      -6.445  -2.783  -8.434  1.00  3.120          C  
ATOM    168  CG  ARG A  12      -5.223  -3.698  -8.534  1.00  3.120          C  
ATOM    169  CD  ARG A  12      -5.580  -5.150  -8.399  1.00  3.120          C  
ATOM    170  NE  ARG A  12      -6.110  -5.483  -7.069  1.00  3.120          N  
ATOM    171  CZ  ARG A  12      -5.367  -5.825  -5.986  1.00  3.120          C  
ATOM    172  NH1 ARG A  12      -4.050  -5.875  -6.056  1.00  3.120          N  
ATOM    173  NH2 ARG A  12      -5.975  -6.114  -4.845  1.00  3.120          N  
ATOM    174  H   ARG A  12      -4.991  -1.119  -7.078  1.00  2.660          H  
ATOM    175  HA  ARG A  12      -5.639  -1.378  -9.804  1.00  2.680          H  
ATOM    176 1HB  ARG A  12      -6.788  -2.795  -7.401  1.00  3.740          H  
ATOM    177 2HB  ARG A  12      -7.235  -3.213  -9.047  1.00  3.740          H  
ATOM    178 1HG  ARG A  12      -4.747  -3.553  -9.504  1.00  3.740          H  
ATOM    179 2HG  ARG A  12      -4.516  -3.440  -7.748  1.00  3.740          H  
ATOM    180 1HD  ARG A  12      -6.349  -5.390  -9.135  1.00  3.740          H  
ATOM    181 2HD  ARG A  12      -4.706  -5.767  -8.594  1.00  3.740          H  
ATOM    182  HE  ARG A  12      -7.117  -5.470  -6.957  1.00  3.740          H  
ATOM    183 1HH1 ARG A  12      -3.576  -5.660  -6.919  1.00  3.740          H  
ATOM    184 2HH1 ARG A  12      -3.509  -6.132  -5.241  1.00  3.740          H  
ATOM    185 1HH2 ARG A  12      -6.984  -6.077  -4.785  1.00  3.740          H  
ATOM    186 2HH2 ARG A  12      -5.434  -6.370  -4.032  1.00  3.740          H  
ATOM    187  N   HIS A  13      -8.144  -0.084  -8.109  1.00  2.020          N  
ATOM    188  CA  HIS A  13      -9.448   0.554  -8.201  1.00  2.140          C  
ATOM    189  C   HIS A  13      -9.450   1.854  -9.009  1.00  1.670          C  
ATOM    190  O   HIS A  13     -10.516   2.380  -9.345  1.00  1.820          O  
ATOM    191  CB  HIS A  13      -9.956   0.776  -6.778  1.00  2.950          C  
ATOM    192  CG  HIS A  13      -9.047   1.635  -5.967  1.00  2.950          C  
ATOM    193  ND1 HIS A  13      -7.797   1.199  -5.542  1.00  2.950          N  
ATOM    194  CD2 HIS A  13      -9.201   2.880  -5.466  1.00  2.950          C  
ATOM    195  CE1 HIS A  13      -7.220   2.167  -4.836  1.00  2.950          C  
ATOM    196  NE2 HIS A  13      -8.051   3.188  -4.773  1.00  2.950          N  
ATOM    197  H   HIS A  13      -7.703  -0.096  -7.188  1.00  2.420          H  
ATOM    198  HA  HIS A  13     -10.138  -0.130  -8.694  1.00  2.570          H  
ATOM    199 1HB  HIS A  13     -10.938   1.247  -6.811  1.00  3.540          H  
ATOM    200 2HB  HIS A  13     -10.065  -0.184  -6.276  1.00  3.540          H  
ATOM    201  HD2 HIS A  13     -10.073   3.524  -5.593  1.00  3.540          H  
ATOM    202  HE1 HIS A  13      -6.233   2.126  -4.377  1.00  3.540          H  
ATOM    203  HE2 HIS A  13      -7.878   4.063  -4.293  1.00  3.540          H  
ATOM    204  N   LEU A  14      -8.268   2.380  -9.310  1.00  1.360          N  
ATOM    205  CA  LEU A  14      -8.139   3.577 -10.115  1.00  1.130          C  
ATOM    206  C   LEU A  14      -7.468   3.229 -11.428  1.00  0.830          C  
ATOM    207  O   LEU A  14      -8.009   3.514 -12.505  1.00  0.970          O  
ATOM    208  CB  LEU A  14      -7.315   4.621  -9.360  1.00  1.670          C  
ATOM    209  CG  LEU A  14      -7.927   5.119  -8.029  1.00  1.670          C  
ATOM    210  CD1 LEU A  14      -6.958   6.019  -7.318  1.00  1.670          C  
ATOM    211  CD2 LEU A  14      -9.232   5.863  -8.279  1.00  1.670          C  
ATOM    212  H   LEU A  14      -7.425   1.891  -9.014  1.00  1.630          H  
ATOM    213  HA  LEU A  14      -9.126   3.963 -10.349  1.00  1.360          H  
ATOM    214 1HB  LEU A  14      -6.336   4.188  -9.137  1.00  2.010          H  
ATOM    215 2HB  LEU A  14      -7.172   5.463 -10.011  1.00  2.010          H  
ATOM    216  HG  LEU A  14      -8.105   4.281  -7.410  1.00  2.010          H  
ATOM    217 1HD1 LEU A  14      -7.385   6.333  -6.367  1.00  2.010          H  
ATOM    218 2HD1 LEU A  14      -6.054   5.457  -7.139  1.00  2.010          H  
ATOM    219 3HD1 LEU A  14      -6.730   6.889  -7.901  1.00  2.010          H  
ATOM    220 1HD2 LEU A  14      -9.643   6.195  -7.326  1.00  2.010          H  
ATOM    221 2HD2 LEU A  14      -9.045   6.730  -8.913  1.00  2.010          H  
ATOM    222 3HD2 LEU A  14      -9.957   5.214  -8.760  1.00  2.010          H  
ATOM    223  N   ALA A  15      -6.343   2.504 -11.338  1.00  0.850          N  
ATOM    224  CA  ALA A  15      -5.472   2.160 -12.458  1.00  1.010          C  
ATOM    225  C   ALA A  15      -6.231   1.423 -13.540  1.00  1.030          C  
ATOM    226  O   ALA A  15      -5.982   1.633 -14.730  1.00  1.280          O  
ATOM    227  CB  ALA A  15      -4.296   1.319 -11.993  1.00  1.350          C  
ATOM    228  H   ALA A  15      -6.016   2.247 -10.417  1.00  1.020          H  
ATOM    229  HA  ALA A  15      -5.083   3.087 -12.866  1.00  1.210          H  
ATOM    230 1HB  ALA A  15      -3.640   1.104 -12.831  1.00  1.620          H  
ATOM    231 2HB  ALA A  15      -3.748   1.866 -11.237  1.00  1.620          H  
ATOM    232 3HB  ALA A  15      -4.664   0.389 -11.567  1.00  1.620          H  
ATOM    233  N   ARG A  16      -7.237   0.623 -13.172  1.00  1.020          N  
ATOM    234  CA  ARG A  16      -8.008  -0.065 -14.194  1.00  1.260          C  
ATOM    235  C   ARG A  16      -8.401   0.887 -15.336  1.00  1.200          C  
ATOM    236  O   ARG A  16      -8.480   0.454 -16.494  1.00  1.510          O  
ATOM    237  CB  ARG A  16      -9.253  -0.714 -13.601  1.00  1.670          C  
ATOM    238  CG  ARG A  16     -10.200  -1.355 -14.636  1.00  1.670          C  
ATOM    239  CD  ARG A  16      -9.571  -2.502 -15.360  1.00  1.670          C  
ATOM    240  NE  ARG A  16     -10.441  -3.026 -16.391  1.00  1.670          N  
ATOM    241  CZ  ARG A  16     -10.547  -2.515 -17.645  1.00  1.670          C  
ATOM    242  NH1 ARG A  16      -9.848  -1.443 -18.009  1.00  1.670          N  
ATOM    243  NH2 ARG A  16     -11.364  -3.095 -18.516  1.00  1.670          N  
ATOM    244  H   ARG A  16      -7.440   0.434 -12.183  1.00  1.220          H  
ATOM    245  HA  ARG A  16      -7.374  -0.851 -14.599  1.00  1.510          H  
ATOM    246 1HB  ARG A  16      -8.953  -1.486 -12.891  1.00  2.000          H  
ATOM    247 2HB  ARG A  16      -9.819   0.033 -13.045  1.00  2.000          H  
ATOM    248 1HG  ARG A  16     -11.070  -1.743 -14.110  1.00  2.000          H  
ATOM    249 2HG  ARG A  16     -10.532  -0.612 -15.357  1.00  2.000          H  
ATOM    250 1HD  ARG A  16      -8.641  -2.211 -15.830  1.00  2.000          H  
ATOM    251 2HD  ARG A  16      -9.371  -3.305 -14.649  1.00  2.000          H  
ATOM    252  HE  ARG A  16     -10.995  -3.841 -16.165  1.00  2.000          H  
ATOM    253 1HH1 ARG A  16      -9.215  -0.959 -17.343  1.00  2.000          H  
ATOM    254 2HH1 ARG A  16      -9.940  -1.072 -18.941  1.00  2.000          H  
ATOM    255 1HH2 ARG A  16     -11.899  -3.908 -18.245  1.00  2.000          H  
ATOM    256 2HH2 ARG A  16     -11.452  -2.723 -19.450  1.00  2.000          H  
ATOM    257  N   THR A  17      -8.702   2.159 -15.008  1.00  0.970          N  
ATOM    258  CA  THR A  17      -9.069   3.154 -16.006  1.00  1.160          C  
ATOM    259  C   THR A  17      -7.971   4.235 -16.114  1.00  1.110          C  
ATOM    260  O   THR A  17      -7.807   4.852 -17.169  1.00  1.430          O  
ATOM    261  CB  THR A  17     -10.436   3.807 -15.669  1.00  1.550          C  
ATOM    262  OG1 THR A  17     -11.452   2.797 -15.635  1.00  1.550          O  
ATOM    263  CG2 THR A  17     -10.823   4.847 -16.724  1.00  1.550          C  
ATOM    264  H   THR A  17      -8.641   2.464 -14.036  1.00  1.160          H  
ATOM    265  HA  THR A  17      -9.153   2.664 -16.973  1.00  1.390          H  
ATOM    266  HB  THR A  17     -10.375   4.285 -14.692  1.00  1.860          H  
ATOM    267  HG1 THR A  17     -11.294   2.219 -14.890  1.00  1.860          H  
ATOM    268 1HG2 THR A  17     -11.788   5.276 -16.462  1.00  1.860          H  
ATOM    269 2HG2 THR A  17     -10.090   5.642 -16.771  1.00  1.860          H  
ATOM    270 3HG2 THR A  17     -10.892   4.365 -17.697  1.00  1.860          H  
ATOM    271  N   LEU A  18      -7.216   4.464 -15.025  1.00  0.820          N  
ATOM    272  CA  LEU A  18      -6.213   5.534 -14.946  1.00  0.900          C  
ATOM    273  C   LEU A  18      -4.747   5.050 -14.949  1.00  0.840          C  
ATOM    274  O   LEU A  18      -3.834   5.831 -14.649  1.00  0.960          O  
ATOM    275  CB  LEU A  18      -6.424   6.332 -13.644  1.00  1.230          C  
ATOM    276  CG  LEU A  18      -7.494   7.475 -13.567  1.00  1.230          C  
ATOM    277  CD1 LEU A  18      -7.016   8.672 -14.356  1.00  1.230          C  
ATOM    278  CD2 LEU A  18      -8.832   6.993 -14.056  1.00  1.230          C  
ATOM    279  H   LEU A  18      -7.391   3.918 -14.187  1.00  0.980          H  
ATOM    280  HA  LEU A  18      -6.349   6.183 -15.807  1.00  1.080          H  
ATOM    281 1HB  LEU A  18      -6.648   5.628 -12.855  1.00  1.470          H  
ATOM    282 2HB  LEU A  18      -5.482   6.801 -13.410  1.00  1.470          H  
ATOM    283  HG  LEU A  18      -7.605   7.773 -12.543  1.00  1.470          H  
ATOM    284 1HD1 LEU A  18      -7.744   9.475 -14.270  1.00  1.470          H  
ATOM    285 2HD1 LEU A  18      -6.065   9.003 -13.951  1.00  1.470          H  
ATOM    286 3HD1 LEU A  18      -6.896   8.409 -15.401  1.00  1.470          H  
ATOM    287 1HD2 LEU A  18      -9.561   7.796 -13.966  1.00  1.470          H  
ATOM    288 2HD2 LEU A  18      -8.761   6.705 -15.092  1.00  1.470          H  
ATOM    289 3HD2 LEU A  18      -9.154   6.141 -13.455  1.00  1.470          H  
ATOM    290  N   ALA A  19      -4.494   3.823 -15.418  1.00  0.920          N  
ATOM    291  CA  ALA A  19      -3.137   3.265 -15.467  1.00  1.140          C  
ATOM    292  C   ALA A  19      -2.213   4.168 -16.249  1.00  1.110          C  
ATOM    293  O   ALA A  19      -1.054   4.324 -15.876  1.00  1.090          O  
ATOM    294  CB  ALA A  19      -3.121   1.889 -16.086  1.00  1.510          C  
ATOM    295  H   ALA A  19      -5.288   3.217 -15.614  1.00  1.100          H  
ATOM    296  HA  ALA A  19      -2.766   3.192 -14.444  1.00  1.370          H  
ATOM    297 1HB  ALA A  19      -2.106   1.520 -16.073  1.00  1.810          H  
ATOM    298 2HB  ALA A  19      -3.748   1.215 -15.523  1.00  1.810          H  
ATOM    299 3HB  ALA A  19      -3.478   1.944 -17.112  1.00  1.810          H  
ATOM    300  N   ASP A  20      -2.739   4.855 -17.259  1.00  1.250          N  
ATOM    301  CA  ASP A  20      -1.932   5.765 -18.043  1.00  1.440          C  
ATOM    302  C   ASP A  20      -1.252   6.816 -17.173  1.00  1.270          C  
ATOM    303  O   ASP A  20      -0.140   7.231 -17.493  1.00  1.430          O  
ATOM    304  CB  ASP A  20      -2.789   6.499 -19.075  1.00  1.940          C  
ATOM    305  CG  ASP A  20      -3.268   5.638 -20.247  1.00  1.940          C  
ATOM    306  OD1 ASP A  20      -2.770   4.559 -20.445  1.00  1.940          O  
ATOM    307  OD2 ASP A  20      -4.146   6.086 -20.933  1.00  1.940          O  
ATOM    308  H   ASP A  20      -3.699   4.688 -17.532  1.00  1.500          H  
ATOM    309  HA  ASP A  20      -1.165   5.200 -18.553  1.00  1.730          H  
ATOM    310 1HB  ASP A  20      -3.666   6.916 -18.576  1.00  2.330          H  
ATOM    311 2HB  ASP A  20      -2.220   7.342 -19.474  1.00  2.330          H  
ATOM    312  N   LEU A  21      -1.897   7.270 -16.086  1.00  1.080          N  
ATOM    313  CA  LEU A  21      -1.305   8.314 -15.260  1.00  1.140          C  
ATOM    314  C   LEU A  21      -0.204   7.705 -14.417  1.00  1.020          C  
ATOM    315  O   LEU A  21       0.835   8.330 -14.173  1.00  1.250          O  
ATOM    316  CB  LEU A  21      -2.369   8.919 -14.337  1.00  1.570          C  
ATOM    317  CG  LEU A  21      -3.265  10.076 -14.889  1.00  1.570          C  
ATOM    318  CD1 LEU A  21      -2.436  11.335 -15.114  1.00  1.570          C  
ATOM    319  CD2 LEU A  21      -3.945   9.625 -16.193  1.00  1.570          C  
ATOM    320  H   LEU A  21      -2.801   6.888 -15.802  1.00  1.300          H  
ATOM    321  HA  LEU A  21      -0.869   9.072 -15.906  1.00  1.370          H  
ATOM    322 1HB  LEU A  21      -3.032   8.120 -14.009  1.00  1.890          H  
ATOM    323 2HB  LEU A  21      -1.856   9.301 -13.459  1.00  1.890          H  
ATOM    324  HG  LEU A  21      -4.027  10.305 -14.154  1.00  1.890          H  
ATOM    325 1HD1 LEU A  21      -3.084  12.132 -15.474  1.00  1.890          H  
ATOM    326 2HD1 LEU A  21      -1.978  11.639 -14.173  1.00  1.890          H  
ATOM    327 3HD1 LEU A  21      -1.653  11.159 -15.853  1.00  1.890          H  
ATOM    328 1HD2 LEU A  21      -4.591  10.424 -16.554  1.00  1.890          H  
ATOM    329 2HD2 LEU A  21      -3.196   9.411 -16.954  1.00  1.890          H  
ATOM    330 3HD2 LEU A  21      -4.541   8.732 -16.008  1.00  1.890          H  
ATOM    331  N   CYS A  22      -0.438   6.470 -13.988  1.00  0.900          N  
ATOM    332  CA  CYS A  22       0.530   5.736 -13.182  1.00  1.120          C  
ATOM    333  C   CYS A  22       1.804   5.573 -14.012  1.00  1.060          C  
ATOM    334  O   CYS A  22       2.921   5.838 -13.548  1.00  1.340          O  
ATOM    335  CB  CYS A  22      -0.045   4.372 -12.765  1.00  1.480          C  
ATOM    336  SG  CYS A  22       1.003   3.393 -11.678  1.00  1.480          S  
ATOM    337  H   CYS A  22      -1.353   6.059 -14.214  1.00  1.080          H  
ATOM    338  HA  CYS A  22       0.759   6.312 -12.287  1.00  1.340          H  
ATOM    339 1HB  CYS A  22      -1.006   4.533 -12.271  1.00  1.780          H  
ATOM    340 2HB  CYS A  22      -0.234   3.777 -13.647  1.00  1.780          H  
ATOM    341  N   TRP A  23       1.608   5.200 -15.278  1.00  0.870          N  
ATOM    342  CA  TRP A  23       2.696   5.018 -16.220  1.00  0.950          C  
ATOM    343  C   TRP A  23       3.419   6.341 -16.531  1.00  1.040          C  
ATOM    344  O   TRP A  23       4.652   6.386 -16.513  1.00  1.290          O  
ATOM    345  CB  TRP A  23       2.139   4.386 -17.494  1.00  1.300          C  
ATOM    346  CG  TRP A  23       1.603   2.985 -17.268  1.00  1.300          C  
ATOM    347  CD1 TRP A  23       1.964   2.115 -16.280  1.00  1.300          C  
ATOM    348  CD2 TRP A  23       0.579   2.303 -18.034  1.00  1.300          C  
ATOM    349  NE1 TRP A  23       1.254   0.957 -16.391  1.00  1.300          N  
ATOM    350  CE2 TRP A  23       0.402   1.051 -17.450  1.00  1.300          C  
ATOM    351  CE3 TRP A  23      -0.188   2.648 -19.143  1.00  1.300          C  
ATOM    352  CZ2 TRP A  23      -0.512   0.135 -17.942  1.00  1.300          C  
ATOM    353  CZ3 TRP A  23      -1.108   1.742 -19.628  1.00  1.300          C  
ATOM    354  CH2 TRP A  23      -1.268   0.516 -19.045  1.00  1.300          C  
ATOM    355  H   TRP A  23       0.651   4.993 -15.572  1.00  1.040          H  
ATOM    356  HA  TRP A  23       3.423   4.342 -15.776  1.00  1.140          H  
ATOM    357 1HB  TRP A  23       1.330   5.004 -17.877  1.00  1.560          H  
ATOM    358 2HB  TRP A  23       2.914   4.345 -18.254  1.00  1.560          H  
ATOM    359  HD1 TRP A  23       2.713   2.296 -15.502  1.00  1.560          H  
ATOM    360  HE1 TRP A  23       1.368   0.173 -15.770  1.00  1.560          H  
ATOM    361  HE3 TRP A  23      -0.075   3.613 -19.625  1.00  1.560          H  
ATOM    362  HZ2 TRP A  23      -0.653  -0.844 -17.487  1.00  1.560          H  
ATOM    363  HZ3 TRP A  23      -1.707   2.040 -20.494  1.00  1.560          H  
ATOM    364  HH2 TRP A  23      -2.004  -0.172 -19.456  1.00  1.560          H  
ATOM    365  N   GLU A  24       2.679   7.449 -16.734  1.00  1.110          N  
ATOM    366  CA  GLU A  24       3.313   8.751 -17.004  1.00  1.510          C  
ATOM    367  C   GLU A  24       4.205   9.178 -15.847  1.00  1.730          C  
ATOM    368  O   GLU A  24       5.268   9.768 -16.048  1.00  2.080          O  
ATOM    369  CB  GLU A  24       2.281   9.861 -17.260  1.00  1.950          C  
ATOM    370  CG  GLU A  24       1.547   9.801 -18.602  1.00  1.950          C  
ATOM    371  CD  GLU A  24       0.497  10.881 -18.732  1.00  1.950          C  
ATOM    372  OE1 GLU A  24       0.302  11.599 -17.780  1.00  1.950          O  
ATOM    373  OE2 GLU A  24      -0.106  10.983 -19.773  1.00  1.950          O  
ATOM    374  H   GLU A  24       1.659   7.384 -16.772  1.00  1.330          H  
ATOM    375  HA  GLU A  24       3.932   8.651 -17.893  1.00  1.810          H  
ATOM    376 1HB  GLU A  24       1.524   9.822 -16.474  1.00  2.340          H  
ATOM    377 2HB  GLU A  24       2.770  10.830 -17.190  1.00  2.340          H  
ATOM    378 1HG  GLU A  24       2.281   9.939 -19.395  1.00  2.340          H  
ATOM    379 2HG  GLU A  24       1.100   8.834 -18.743  1.00  2.340          H  
ATOM    380  N   ALA A  25       3.797   8.820 -14.633  1.00  1.670          N  
ATOM    381  CA  ALA A  25       4.519   9.145 -13.415  1.00  2.050          C  
ATOM    382  C   ALA A  25       5.748   8.257 -13.202  1.00  2.120          C  
ATOM    383  O   ALA A  25       6.491   8.464 -12.240  1.00  2.560          O  
ATOM    384  CB  ALA A  25       3.599   9.002 -12.217  1.00  2.720          C  
ATOM    385  H   ALA A  25       2.873   8.379 -14.551  1.00  2.000          H  
ATOM    386  HA  ALA A  25       4.855  10.177 -13.492  1.00  2.460          H  
ATOM    387 1HB  ALA A  25       4.138   9.276 -11.315  1.00  3.260          H  
ATOM    388 2HB  ALA A  25       2.734   9.651 -12.344  1.00  3.260          H  
ATOM    389 3HB  ALA A  25       3.264   7.965 -12.141  1.00  3.260          H  
ATOM    390  N   GLY A  26       5.957   7.257 -14.068  1.00  1.950          N  
ATOM    391  CA  GLY A  26       7.081   6.348 -13.941  1.00  2.200          C  
ATOM    392  C   GLY A  26       6.874   5.299 -12.860  1.00  2.210          C  
ATOM    393  O   GLY A  26       7.840   4.811 -12.269  1.00  2.520          O  
ATOM    394  H   GLY A  26       5.332   7.126 -14.865  1.00  2.340          H  
ATOM    395 1HA  GLY A  26       7.236   5.853 -14.900  1.00  2.640          H  
ATOM    396 2HA  GLY A  26       7.982   6.920 -13.729  1.00  2.640          H  
ATOM    397  N   VAL A  27       5.622   4.953 -12.574  1.00  2.200          N  
ATOM    398  CA  VAL A  27       5.348   3.998 -11.525  1.00  2.660          C  
ATOM    399  C   VAL A  27       4.715   2.719 -12.065  1.00  2.870          C  
ATOM    400  O   VAL A  27       3.829   2.760 -12.915  1.00  3.050          O  
ATOM    401  CB  VAL A  27       4.426   4.644 -10.475  1.00  3.540          C  
ATOM    402  CG1 VAL A  27       4.121   3.645  -9.346  1.00  3.540          C  
ATOM    403  CG2 VAL A  27       5.061   5.910  -9.936  1.00  3.540          C  
ATOM    404  H   VAL A  27       4.823   5.349 -13.082  1.00  2.640          H  
ATOM    405  HA  VAL A  27       6.285   3.735 -11.038  1.00  3.190          H  
ATOM    406  HB  VAL A  27       3.488   4.911 -10.950  1.00  4.250          H  
ATOM    407 1HG1 VAL A  27       3.466   4.110  -8.625  1.00  4.250          H  
ATOM    408 2HG1 VAL A  27       3.631   2.756  -9.738  1.00  4.250          H  
ATOM    409 3HG1 VAL A  27       5.045   3.356  -8.849  1.00  4.250          H  
ATOM    410 1HG2 VAL A  27       4.387   6.367  -9.213  1.00  4.250          H  
ATOM    411 2HG2 VAL A  27       6.004   5.665  -9.461  1.00  4.250          H  
ATOM    412 3HG2 VAL A  27       5.239   6.609 -10.746  1.00  4.250          H  
ATOM    413  N   ASP A  28       5.237   1.586 -11.604  1.00  3.290          N  
ATOM    414  CA  ASP A  28       4.726   0.267 -11.955  1.00  3.820          C  
ATOM    415  C   ASP A  28       4.173  -0.401 -10.703  1.00  4.050          C  
ATOM    416  O   ASP A  28       3.446  -1.391 -10.786  1.00  4.580          O  
ATOM    417  OXT ASP A  28       4.683  -0.113  -9.620  1.00  5.730          O  
ATOM    418  CB  ASP A  28       5.818  -0.622 -12.560  1.00  4.840          C  
ATOM    419  CG  ASP A  28       6.265  -0.209 -13.959  1.00  4.840          C  
ATOM    420  OD1 ASP A  28       5.442  -0.223 -14.852  1.00  4.840          O  
ATOM    421  OD2 ASP A  28       7.430   0.083 -14.134  1.00  4.840          O  
ATOM    422  H   ASP A  28       6.007   1.659 -10.954  1.00  3.950          H  
ATOM    423  HA  ASP A  28       3.915   0.379 -12.676  1.00  4.580          H  
ATOM    424 1HB  ASP A  28       6.687  -0.620 -11.904  1.00  5.810          H  
ATOM    425 2HB  ASP A  28       5.453  -1.649 -12.606  1.00  5.810          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 -132.896 15.0066 103.555 -9.62586 3.00567 7.5027 51.2594 -58.8799 -0.37757 -2.08639 -36.8579 -10.6056 -21.5479 -5.03796 0 0 -1.44768 -0.62445 1.09104 12.6709 24.8373 -5.47577 4.59071 7.53494 -4.49539 12.9837 -45.9205
GLN:NtermProteinFull_1 -1.01787 0.06415 0.89139 -0.25444 0.03795 0.22042 0.07039 -0.38792 -0.05126 -0.27457 -0.26523 0.96102 0 0 0 0 0 -0.02062 0.00715 0 2.64342 0 0 -0.18838 0 0.03896 2.47456
GLN_2 -3.59785 0.72063 2.97729 -0.62472 0.11981 0.61333 1.11383 -1.31375 -0.05126 -0.27457 -0.8687 -0.5887 0 0 0 0 0 -0.00321 0.04612 0 2.07703 -0.09473 0 -0.18838 -0.17286 0.76028 0.64961
PRO_3 -3.94183 0.70583 3.33728 -0.06992 0 0.0435 1.7231 -1.54504 -0 -0 -1.96802 0.60298 0 0 0 0 0 -0.1791 0.02822 0.3711 0 -0.65353 0 -2.4119 -0.21348 1.18441 -2.98639
GLN_4 -7.36545 0.82617 5.61781 -0.28253 0.07164 0.23064 2.73354 -2.90719 -0.02128 -0.1186 -1.50468 -0.39023 0 0 0 0 0 -0.17079 0.13202 0 2.99666 -0.05153 0 -0.18838 -0.05922 0.71277 0.26139
ALA_5 -4.98399 0.72403 4.07962 -0.0233 0 0 2.56074 -2.60352 -0 -0 -2.13887 -0.40632 0 0 0 0 0 -0.00406 0 0 0 -0.42768 0 1.8394 -0.26106 0.32182 -1.32319
VAL_6 -4.53385 0.5423 3.37697 -0.29392 0.17582 0.06663 1.81239 -2.18166 -0 -0 -0.69617 -0.41397 0 0 0 0 0 0.10949 4e-05 0.30078 0 -0.47959 0 1.9342 -0.17422 0.30102 -0.15374
HIS_7 -4.12628 0.20972 3.3929 -0.44768 0.11299 0.42799 1.08281 -1.79401 -0 -0 -0.16312 -0.55112 0 0 0 0 0 -0.0403 0.02068 0 2.89778 0.18412 0 -0.45461 -0.05006 0.35892 1.06072
THR_8 -6.07354 0.57084 4.75911 -0.12933 0.05823 0.08662 2.25071 -2.51132 -0.03735 -0.15854 -1.33246 -0.91315 0 0 0 0 0 -0.04925 0.00053 0.04782 0 -0.41104 2.27429 -1.0874 -0.11913 0.3991 -2.37528
TYR_9 -8.48872 0.86624 3.96232 -0.64393 0.08234 0.3936 1.95401 -2.60886 -0 -0 -0.92794 -0.45153 0 0 0 0 0 -0.02746 0.05844 0 1.94765 0.19505 7e-05 1.2797 0.04821 0.59861 -1.76222
CYS:disulfide_10 -6.14422 0.70434 3.63802 -0.04808 0.00924 0.02219 1.28597 -2.20367 -0.03735 -0.15854 -0.43268 -0.346 0 0 0 0 -0.72384 -0.04304 0.01089 0.45126 0 0.16832 0 3.6196 -0.19049 0.52382 0.10576
GLY_11 -4.14031 0.46529 4.70805 -0.00031 0 0 2.81231 -2.5448 -0.05076 -0.26097 -3.4201 -0.25629 0 0 0 0 0 0.04022 0 0 0 0.44245 0 0.83697 -0.16977 0.40328 -1.13473
ARG_12 -2.36794 0.21637 2.84801 -0.76335 0.10577 0.50342 1.30785 -1.43994 -0 -0 -0.45603 0.36484 0 0 0 0 0 -0.07107 0.00851 1.50633 0 -0.18737 0 -1.2888 -0.16971 0.44412 0.561
HIS_13 -3.73371 0.38744 2.94932 -0.71148 0.00852 0.81943 0.35284 -1.61599 -0 -0 -0.16344 -2.34932 0 0 0 0 0 0.04011 0.16714 0 1.66946 -0.06511 0 -0.45461 -0.38933 0.35081 -2.73792
LEU_14 -7.68646 1.00357 5.00409 -0.47114 0.26622 0.10143 3.05949 -2.99926 -0.01429 -0.07527 -3.19412 0.14187 0 0 0 0 0 0.04361 0.06594 0.67233 0 -0.14469 0 0.18072 0.25556 0.56449 -3.2259
ALA_15 -5.85376 0.91787 4.63428 -0.02297 0 0 2.96697 -3.18408 -0 -0 -2.12224 -0.36756 0 0 0 0 0 0.03134 0 0 0 -0.40525 0 1.8394 0.09756 0.57993 -0.88851
ARG_16 -2.3096 0.31206 3.16986 -1.69605 0.48118 1.8905 1.17087 -1.431 -0.02948 -0.14238 -0.85022 -2.0632 0 0 0 0 0 0.01136 0.07884 2.71887 0 -0.19623 0 -1.2888 -0.21699 0.39988 0.00947
THR_17 -2.87929 0.52273 2.73121 -0.21076 0.22801 0.07975 1.20689 -1.47887 -0 -0 -0.45453 -0.5345 0 0 0 0 0 -0.03057 0.00477 0.6953 0 -0.4668 2.31635 -1.0874 0.11724 0.33449 1.09402
LEU_18 -7.34684 0.93438 4.1871 -0.69203 0.37959 0.21133 2.91593 -2.59092 -0 -0 -2.07853 0.22339 0 0 0 0 0 -0.06374 0.08417 1.96288 0 0.07205 0 0.18072 -0.05279 0.75968 -0.91363
ALA_19 -5.41832 0.6744 3.98378 -0.02313 0 0 3.11698 -2.72526 -0.01429 -0.07527 -2.51835 -0.38684 0 0 0 0 0 -0.00812 0 0 0 -0.41173 0 1.8394 -0.35676 0.78321 -1.54029
ASP_20 -4.40768 0.56692 4.40797 -0.11315 0.0072 0.34568 1.78239 -2.27335 -0 -0 -1.20207 -0.51831 0 0 0 0 0 -0.08998 0.00019 0 1.70265 0.0115 0 -2.3716 -0.39824 0.35346 -2.19643
LEU_21 -6.36182 0.52751 4.84439 -0.67582 0.43598 0.1685 2.53864 -2.63574 -0.00945 -0.11227 -2.2414 0.2674 0 0 0 0 0 0.06585 0.09206 2.6325 0 -0.27419 0 0.18072 -0.2002 0.38366 -0.37367
CYS:disulfide_22 -7.82586 0.47671 6.59335 -0.06125 0 0.05265 3.48121 -3.4826 -0 -0 -1.70029 -0.40024 0 0 0 0 -0.72384 0.03558 0.00078 0.88369 0 0.26109 0 3.6196 0.17232 0.45649 1.83938
TRP_23 -6.53852 0.5216 4.94491 -0.73653 0.21211 0.44583 2.58122 -3.02717 -0.01408 -0.11822 -2.38477 -0.36188 0 0 0 0 0 0.06283 0.11864 0 2.92092 -0.07996 0 1.6906 0.18865 0.4308 0.85696
GLU_24 -3.33083 0.31097 4.11785 -0.21228 0.01917 0.28635 1.65972 -1.92238 -0.00945 -0.11227 -0.69413 -0.60372 0 0 0 0 0 -0.05296 0.06383 0 3.07464 -0.34354 0 -2.7348 -0.41587 0.46546 -0.43425
ALA_25 -3.34582 0.26613 2.15392 -0.02766 0.00524 0 1.34438 -1.62131 -0 -0 -0.98428 -0.43664 0 0 0 0 0 -0.06145 0 0 0 -0.04944 0 1.8394 -0.58086 0.32962 -1.16878
GLY_26 -1.8032 0.21362 2.26961 -5e-05 0 0 0.97021 -1.19871 -0.0116 -0.04335 -1.21499 -0.39844 0 0 0 0 0 -0.14221 0 0 0 -1.28724 0 0.83697 -0.52696 0.19771 -2.13863
VAL_27 -6.1359 0.67049 2.79041 -0.26316 0.18611 0.05152 1.37767 -2.0757 -0 -0 -0.70262 -0.14859 0 0 0 0 0 -0.00693 0.05861 0.42799 0 -0.78071 0 1.9342 -0.47784 0.24432 -2.85012
ASP:CtermProteinFull_28 -1.13687 0.08425 1.18469 -0.12689 0.00256 0.44139 0.02631 -0.57588 -0.02568 -0.16157 -0.17795 -0.28055 0 0 0 0 0 0 0.04345 0 2.90706 0 0 -2.3716 -0.17908 0.30256 -0.04381
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 701835 DOMAINID 692256 MODEL 3 BOMBYXIN-II
MODEL     3
REMARK    Rerank model03.pdb score: 15.004
REMARK    CLUSTER 0003 t000_.out.valid.rescored.best_scoring.binary cluster_size: 9 cluster_threshold: 3.487858
REMARK    SCORE             ref:          15.018
REMARK    SCORE angle_constraint:           0.000
REMARK    SCORE         p_aa_pp:          -6.109
REMARK    SCORE     hbond_bb_sc:          -1.994
REMARK    SCORE atom_pair_constraint:         -60.302
REMARK    SCORE     total_score:         -92.228
REMARK    SCORE     hbond_lr_bb:          -2.705
REMARK    SCORE          fa_sol:          75.603
REMARK    SCORE     rama_prepro:           6.180
REMARK    SCORE       dslf_fa13:          -0.101
REMARK    SCORE          fa_dun:          32.797
REMARK    SCORE coordinate_constraint:           0.000
REMARK    SCORE fa_intra_sol_xover4:           5.201
REMARK    SCORE          fa_atr:        -130.904
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     lk_ball_wtd:          -5.525
REMARK    SCORE        hbond_sc:          -1.611
REMARK    SCORE          fa_rep:          15.007
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE           omega:          -0.321
REMARK    SCORE     cart_bonded:          15.277
REMARK    SCORE     description: cluster0003_0001
REMARK    SCORE         fa_elec:         -32.003
REMARK    SCORE     hbond_sr_bb:         -15.982
REMARK    SCORE            time:           0.000
REMARK    SCORE    fa_intra_rep:           0.246
REMARK    SCORE           score:         -92.228
REMARK    SCORE dihedral_constraint:           0.000
SSBOND     CYS A   10    CYS A   22                                       2.02  
ATOM      1  N   GLN A   1      -0.116  -0.058   0.068  1.00  6.690          N  
ATOM      2  CA  GLN A   1       1.331   0.035  -0.106  1.00  6.510          C  
ATOM      3  C   GLN A   1       1.810   1.478   0.020  1.00  5.760          C  
ATOM      4  O   GLN A   1       2.372   1.865   1.043  1.00  5.430          O  
ATOM      5  CB  GLN A   1       1.788  -0.567  -1.454  1.00  9.190          C  
ATOM      6  CG  GLN A   1       1.650  -2.102  -1.558  1.00  9.190          C  
ATOM      7  CD  GLN A   1       2.111  -2.677  -2.918  1.00  9.190          C  
ATOM      8  OE1 GLN A   1       2.713  -1.978  -3.750  1.00  9.190          O  
ATOM      9  NE2 GLN A   1       1.823  -3.957  -3.129  1.00  9.190          N  
ATOM     10 1H   GLN A   1      -0.432  -0.987  -0.168  1.00  8.030          H  
ATOM     11 2H   GLN A   1      -0.348   0.140   1.030  1.00  8.030          H  
ATOM     12 3H   GLN A   1      -0.578   0.615  -0.529  1.00  8.030          H  
ATOM     13  HA  GLN A   1       1.806  -0.538   0.690  1.00  7.810          H  
ATOM     14 1HB  GLN A   1       1.207  -0.136  -2.265  1.00 11.020          H  
ATOM     15 2HB  GLN A   1       2.834  -0.311  -1.627  1.00 11.020          H  
ATOM     16 1HG  GLN A   1       2.255  -2.562  -0.776  1.00 11.020          H  
ATOM     17 2HG  GLN A   1       0.605  -2.375  -1.425  1.00 11.020          H  
ATOM     18 1HE2 GLN A   1       2.091  -4.412  -3.982  1.00 11.020          H  
ATOM     19 2HE2 GLN A   1       1.337  -4.483  -2.430  1.00 11.020          H  
ATOM     20  N   GLN A   2       1.606   2.264  -1.031  1.00  5.670          N  
ATOM     21  CA  GLN A   2       2.060   3.649  -1.049  1.00  5.090          C  
ATOM     22  C   GLN A   2       0.970   4.647  -0.660  1.00  3.950          C  
ATOM     23  O   GLN A   2      -0.218   4.332  -0.781  1.00  3.840          O  
ATOM     24  CB  GLN A   2       2.542   3.992  -2.443  1.00  7.360          C  
ATOM     25  CG  GLN A   2       3.695   3.193  -2.927  1.00  7.360          C  
ATOM     26  CD  GLN A   2       4.920   3.396  -2.111  1.00  7.360          C  
ATOM     27  OE1 GLN A   2       5.333   4.532  -1.874  1.00  7.360          O  
ATOM     28  NE2 GLN A   2       5.527   2.309  -1.678  1.00  7.360          N  
ATOM     29  H   GLN A   2       1.134   1.907  -1.849  1.00  6.800          H  
ATOM     30  HA  GLN A   2       2.888   3.723  -0.348  1.00  6.110          H  
ATOM     31 1HB  GLN A   2       1.726   3.836  -3.136  1.00  8.830          H  
ATOM     32 2HB  GLN A   2       2.788   5.018  -2.492  1.00  8.830          H  
ATOM     33 1HG  GLN A   2       3.444   2.135  -2.932  1.00  8.830          H  
ATOM     34 2HG  GLN A   2       3.907   3.532  -3.913  1.00  8.830          H  
ATOM     35 1HE2 GLN A   2       6.360   2.385  -1.126  1.00  8.830          H  
ATOM     36 2HE2 GLN A   2       5.163   1.405  -1.901  1.00  8.830          H  
ATOM     37  N   PRO A   3       1.336   5.846  -0.157  1.00  3.430          N  
ATOM     38  CA  PRO A   3       0.448   6.975   0.078  1.00  2.570          C  
ATOM     39  C   PRO A   3       0.039   7.569  -1.260  1.00  2.290          C  
ATOM     40  O   PRO A   3       0.843   7.535  -2.200  1.00  1.930          O  
ATOM     41  CB  PRO A   3       1.317   7.927   0.910  1.00  3.850          C  
ATOM     42  CG  PRO A   3       2.750   7.597   0.511  1.00  3.850          C  
ATOM     43  CD  PRO A   3       2.751   6.101   0.245  1.00  3.850          C  
ATOM     44  HA  PRO A   3      -0.436   6.639   0.643  1.00  3.080          H  
ATOM     45 1HB  PRO A   3       1.040   8.970   0.690  1.00  4.630          H  
ATOM     46 2HB  PRO A   3       1.124   7.771   1.982  1.00  4.630          H  
ATOM     47 1HG  PRO A   3       3.044   8.176  -0.379  1.00  4.630          H  
ATOM     48 2HG  PRO A   3       3.447   7.883   1.316  1.00  4.630          H  
ATOM     49 1HD  PRO A   3       3.460   5.915  -0.564  1.00  4.630          H  
ATOM     50 2HD  PRO A   3       3.006   5.538   1.157  1.00  4.630          H  
ATOM     51  N   GLN A   4      -1.132   8.209  -1.313  1.00  2.880          N  
ATOM     52  CA  GLN A   4      -1.668   8.828  -2.534  1.00  3.170          C  
ATOM     53  C   GLN A   4      -0.737   9.809  -3.234  1.00  2.820          C  
ATOM     54  O   GLN A   4      -0.815  10.004  -4.448  1.00  2.990          O  
ATOM     55  CB  GLN A   4      -3.010   9.509  -2.221  1.00  4.320          C  
ATOM     56  CG  GLN A   4      -2.947  10.706  -1.249  1.00  4.320          C  
ATOM     57  CD  GLN A   4      -3.041  10.284   0.211  1.00  4.320          C  
ATOM     58  OE1 GLN A   4      -2.619   9.176   0.579  1.00  4.320          O  
ATOM     59  NE2 GLN A   4      -3.590  11.154   1.045  1.00  4.320          N  
ATOM     60  H   GLN A   4      -1.715   8.220  -0.473  1.00  3.460          H  
ATOM     61  HA  GLN A   4      -1.879   8.039  -3.233  1.00  3.800          H  
ATOM     62 1HB  GLN A   4      -3.449   9.867  -3.153  1.00  5.190          H  
ATOM     63 2HB  GLN A   4      -3.697   8.773  -1.807  1.00  5.190          H  
ATOM     64 1HG  GLN A   4      -2.036  11.269  -1.386  1.00  5.190          H  
ATOM     65 2HG  GLN A   4      -3.802  11.348  -1.459  1.00  5.190          H  
ATOM     66 1HE2 GLN A   4      -3.678  10.931   2.018  1.00  5.190          H  
ATOM     67 2HE2 GLN A   4      -3.918  12.039   0.708  1.00  5.190          H  
ATOM     68  N   ALA A   5       0.227  10.332  -2.496  1.00  2.720          N  
ATOM     69  CA  ALA A   5       1.193  11.302  -2.980  1.00  3.000          C  
ATOM     70  C   ALA A   5       1.985  10.788  -4.173  1.00  2.510          C  
ATOM     71  O   ALA A   5       2.466  11.576  -4.991  1.00  3.090          O  
ATOM     72  CB  ALA A   5       2.160  11.645  -1.864  1.00  4.090          C  
ATOM     73  H   ALA A   5       0.238  10.070  -1.522  1.00  3.260          H  
ATOM     74  HA  ALA A   5       0.652  12.194  -3.288  1.00  3.600          H  
ATOM     75 1HB  ALA A   5       2.871  12.390  -2.220  1.00  4.910          H  
ATOM     76 2HB  ALA A   5       1.609  12.040  -1.013  1.00  4.910          H  
ATOM     77 3HB  ALA A   5       2.697  10.744  -1.564  1.00  4.910          H  
ATOM     78  N   VAL A   6       2.177   9.477  -4.237  1.00  2.090          N  
ATOM     79  CA  VAL A   6       2.971   8.876  -5.292  1.00  2.430          C  
ATOM     80  C   VAL A   6       2.225   7.817  -6.098  1.00  2.490          C  
ATOM     81  O   VAL A   6       2.870   7.002  -6.764  1.00  2.840          O  
ATOM     82  CB  VAL A   6       4.245   8.267  -4.691  1.00  3.270          C  
ATOM     83  CG1 VAL A   6       5.123   9.356  -4.101  1.00  3.270          C  
ATOM     84  CG2 VAL A   6       3.850   7.266  -3.621  1.00  3.270          C  
ATOM     85  H   VAL A   6       1.720   8.880  -3.537  1.00  2.510          H  
ATOM     86  HA  VAL A   6       3.270   9.668  -5.978  1.00  2.920          H  
ATOM     87  HB  VAL A   6       4.812   7.776  -5.476  1.00  3.920          H  
ATOM     88 1HG1 VAL A   6       6.026   8.908  -3.689  1.00  3.920          H  
ATOM     89 2HG1 VAL A   6       5.392  10.066  -4.884  1.00  3.920          H  
ATOM     90 3HG1 VAL A   6       4.588   9.875  -3.314  1.00  3.920          H  
ATOM     91 1HG2 VAL A   6       4.736   6.818  -3.187  1.00  3.920          H  
ATOM     92 2HG2 VAL A   6       3.288   7.757  -2.837  1.00  3.920          H  
ATOM     93 3HG2 VAL A   6       3.239   6.495  -4.077  1.00  3.920          H  
ATOM     94  N   HIS A   7       0.884   7.835  -6.074  1.00  2.610          N  
ATOM     95  CA  HIS A   7       0.104   6.806  -6.779  1.00  3.270          C  
ATOM     96  C   HIS A   7       0.204   6.811  -8.288  1.00  3.070          C  
ATOM     97  O   HIS A   7      -0.232   5.867  -8.929  1.00  3.910          O  
ATOM     98  CB  HIS A   7      -1.367   6.783  -6.385  1.00  4.310          C  
ATOM     99  CG  HIS A   7      -1.626   6.107  -5.081  1.00  4.310          C  
ATOM    100  ND1 HIS A   7      -2.902   5.914  -4.590  1.00  4.310          N  
ATOM    101  CD2 HIS A   7      -0.784   5.581  -4.152  1.00  4.310          C  
ATOM    102  CE1 HIS A   7      -2.830   5.297  -3.424  1.00  4.310          C  
ATOM    103  NE2 HIS A   7      -1.561   5.093  -3.140  1.00  4.310          N  
ATOM    104  H   HIS A   7       0.393   8.561  -5.536  1.00  3.130          H  
ATOM    105  HA  HIS A   7       0.475   5.852  -6.464  1.00  3.920          H  
ATOM    106 1HB  HIS A   7      -1.732   7.810  -6.309  1.00  5.180          H  
ATOM    107 2HB  HIS A   7      -1.941   6.288  -7.152  1.00  5.180          H  
ATOM    108  HD2 HIS A   7       0.306   5.557  -4.181  1.00  5.180          H  
ATOM    109  HE1 HIS A   7      -3.674   5.014  -2.796  1.00  5.180          H  
ATOM    110  HE2 HIS A   7      -1.190   4.650  -2.286  1.00  5.180          H  
ATOM    111  N   THR A   8       0.745   7.872  -8.855  1.00  2.390          N  
ATOM    112  CA  THR A   8       0.905   7.994 -10.288  1.00  2.650          C  
ATOM    113  C   THR A   8       2.378   8.045 -10.683  1.00  1.890          C  
ATOM    114  O   THR A   8       2.719   8.620 -11.706  1.00  2.530          O  
ATOM    115  CB  THR A   8       0.177   9.238 -10.811  1.00  3.610          C  
ATOM    116  OG1 THR A   8       0.667  10.404 -10.129  1.00  3.610          O  
ATOM    117  CG2 THR A   8      -1.309   9.082 -10.588  1.00  3.610          C  
ATOM    118  H   THR A   8       1.059   8.634  -8.271  1.00  2.870          H  
ATOM    119  HA  THR A   8       0.464   7.118 -10.759  1.00  3.180          H  
ATOM    120  HB  THR A   8       0.350   9.352 -11.867  1.00  4.330          H  
ATOM    121  HG1 THR A   8       1.574  10.579 -10.413  1.00  4.330          H  
ATOM    122 1HG2 THR A   8      -1.823   9.962 -10.963  1.00  4.330          H  
ATOM    123 2HG2 THR A   8      -1.659   8.204 -11.122  1.00  4.330          H  
ATOM    124 3HG2 THR A   8      -1.514   8.969  -9.529  1.00  4.330          H  
ATOM    125  N   TYR A   9       3.267   7.511  -9.850  1.00  1.050          N  
ATOM    126  CA  TYR A   9       4.691   7.470 -10.187  1.00  1.060          C  
ATOM    127  C   TYR A   9       5.078   6.148 -10.894  1.00  0.890          C  
ATOM    128  O   TYR A   9       4.736   5.068 -10.408  1.00  1.290          O  
ATOM    129  CB  TYR A   9       5.482   7.675  -8.884  1.00  1.480          C  
ATOM    130  CG  TYR A   9       7.006   7.699  -8.961  1.00  1.480          C  
ATOM    131  CD1 TYR A   9       7.670   8.795  -9.476  1.00  1.480          C  
ATOM    132  CD2 TYR A   9       7.726   6.642  -8.458  1.00  1.480          C  
ATOM    133  CE1 TYR A   9       9.055   8.822  -9.488  1.00  1.480          C  
ATOM    134  CE2 TYR A   9       9.099   6.660  -8.450  1.00  1.480          C  
ATOM    135  CZ  TYR A   9       9.770   7.749  -8.965  1.00  1.480          C  
ATOM    136  OH  TYR A   9      11.148   7.781  -8.967  1.00  1.480          O  
ATOM    137  H   TYR A   9       2.952   7.108  -8.963  1.00  1.260          H  
ATOM    138  HA  TYR A   9       4.913   8.285 -10.879  1.00  1.270          H  
ATOM    139 1HB  TYR A   9       5.156   8.611  -8.423  1.00  1.780          H  
ATOM    140 2HB  TYR A   9       5.201   6.882  -8.188  1.00  1.780          H  
ATOM    141  HD1 TYR A   9       7.104   9.639  -9.872  1.00  1.780          H  
ATOM    142  HD2 TYR A   9       7.203   5.803  -8.065  1.00  1.780          H  
ATOM    143  HE1 TYR A   9       9.579   9.685  -9.896  1.00  1.780          H  
ATOM    144  HE2 TYR A   9       9.653   5.816  -8.039  1.00  1.780          H  
ATOM    145  HH  TYR A   9      11.451   8.619  -9.332  1.00  1.780          H  
ATOM    146  N   CYS A  10       5.795   6.225 -12.034  1.00  1.250          N  
ATOM    147  CA  CYS A  10       6.238   5.031 -12.775  1.00  1.800          C  
ATOM    148  C   CYS A  10       7.689   4.644 -12.512  1.00  1.610          C  
ATOM    149  O   CYS A  10       8.302   3.953 -13.330  1.00  2.100          O  
ATOM    150  CB  CYS A  10       6.113   5.205 -14.296  1.00  2.300          C  
ATOM    151  SG  CYS A  10       4.455   5.167 -15.006  1.00  2.300          S  
ATOM    152  H   CYS A  10       6.000   7.150 -12.423  1.00  1.500          H  
ATOM    153  HA  CYS A  10       5.602   4.198 -12.478  1.00  2.160          H  
ATOM    154 1HB  CYS A  10       6.568   6.147 -14.578  1.00  2.760          H  
ATOM    155 2HB  CYS A  10       6.688   4.427 -14.788  1.00  2.760          H  
ATOM    156  N   GLY A  11       8.273   5.086 -11.422  1.00  1.090          N  
ATOM    157  CA  GLY A  11       9.665   4.728 -11.165  1.00  1.010          C  
ATOM    158  C   GLY A  11       9.892   3.596 -10.155  1.00  1.030          C  
ATOM    159  O   GLY A  11       8.968   2.854  -9.768  1.00  1.140          O  
ATOM    160  H   GLY A  11       7.739   5.657 -10.780  1.00  1.310          H  
ATOM    161 1HA  GLY A  11      10.133   4.446 -12.109  1.00  1.210          H  
ATOM    162 2HA  GLY A  11      10.203   5.615 -10.836  1.00  1.210          H  
ATOM    163  N   ARG A  12      11.173   3.487  -9.773  1.00  1.170          N  
ATOM    164  CA  ARG A  12      11.785   2.504  -8.872  1.00  1.440          C  
ATOM    165  C   ARG A  12      10.961   1.241  -8.596  1.00  1.240          C  
ATOM    166  O   ARG A  12      10.797   0.394  -9.477  1.00  1.450          O  
ATOM    167  CB  ARG A  12      12.188   3.181  -7.571  1.00  1.910          C  
ATOM    168  CG  ARG A  12      13.325   4.178  -7.734  1.00  1.910          C  
ATOM    169  CD  ARG A  12      13.733   4.797  -6.458  1.00  1.910          C  
ATOM    170  NE  ARG A  12      14.836   5.733  -6.657  1.00  1.910          N  
ATOM    171  CZ  ARG A  12      15.426   6.470  -5.690  1.00  1.910          C  
ATOM    172  NH1 ARG A  12      15.021   6.384  -4.439  1.00  1.910          N  
ATOM    173  NH2 ARG A  12      16.421   7.284  -6.008  1.00  1.910          N  
ATOM    174  H   ARG A  12      11.799   4.171 -10.179  1.00  1.400          H  
ATOM    175  HA  ARG A  12      12.712   2.176  -9.341  1.00  1.730          H  
ATOM    176 1HB  ARG A  12      11.336   3.714  -7.144  1.00  2.290          H  
ATOM    177 2HB  ARG A  12      12.524   2.434  -6.846  1.00  2.290          H  
ATOM    178 1HG  ARG A  12      14.193   3.675  -8.158  1.00  2.290          H  
ATOM    179 2HG  ARG A  12      13.007   4.979  -8.402  1.00  2.290          H  
ATOM    180 1HD  ARG A  12      12.888   5.342  -6.038  1.00  2.290          H  
ATOM    181 2HD  ARG A  12      14.057   4.019  -5.766  1.00  2.290          H  
ATOM    182  HE  ARG A  12      15.187   5.838  -7.601  1.00  2.290          H  
ATOM    183 1HH1 ARG A  12      14.265   5.766  -4.190  1.00  2.290          H  
ATOM    184 2HH1 ARG A  12      15.469   6.940  -3.723  1.00  2.290          H  
ATOM    185 1HH2 ARG A  12      16.734   7.350  -6.968  1.00  2.290          H  
ATOM    186 2HH2 ARG A  12      16.871   7.840  -5.296  1.00  2.290          H  
ATOM    187  N   HIS A  13      10.460   1.114  -7.370  1.00  1.020          N  
ATOM    188  CA  HIS A  13       9.708  -0.058  -6.943  1.00  1.020          C  
ATOM    189  C   HIS A  13       8.232   0.260  -6.796  1.00  0.920          C  
ATOM    190  O   HIS A  13       7.499  -0.404  -6.048  1.00  1.270          O  
ATOM    191  CB  HIS A  13      10.251  -0.559  -5.608  1.00  1.430          C  
ATOM    192  CG  HIS A  13      11.671  -0.955  -5.677  1.00  1.430          C  
ATOM    193  ND1 HIS A  13      12.698  -0.093  -5.337  1.00  1.430          N  
ATOM    194  CD2 HIS A  13      12.258  -2.106  -6.070  1.00  1.430          C  
ATOM    195  CE1 HIS A  13      13.854  -0.702  -5.526  1.00  1.430          C  
ATOM    196  NE2 HIS A  13      13.616  -1.924  -5.965  1.00  1.430          N  
ATOM    197  H   HIS A  13      10.642   1.832  -6.688  1.00  1.220          H  
ATOM    198  HA  HIS A  13       9.807  -0.853  -7.682  1.00  1.220          H  
ATOM    199 1HB  HIS A  13      10.146   0.219  -4.854  1.00  1.710          H  
ATOM    200 2HB  HIS A  13       9.677  -1.411  -5.280  1.00  1.710          H  
ATOM    201  HD2 HIS A  13      11.747  -3.008  -6.414  1.00  1.710          H  
ATOM    202  HE1 HIS A  13      14.838  -0.270  -5.346  1.00  1.710          H  
ATOM    203  HE2 HIS A  13      14.315  -2.615  -6.194  1.00  1.710          H  
ATOM    204  N   LEU A  14       7.793   1.314  -7.473  1.00  0.680          N  
ATOM    205  CA  LEU A  14       6.412   1.738  -7.403  1.00  0.590          C  
ATOM    206  C   LEU A  14       5.664   1.368  -8.665  1.00  0.600          C  
ATOM    207  O   LEU A  14       4.526   0.894  -8.594  1.00  0.700          O  
ATOM    208  CB  LEU A  14       6.338   3.238  -7.140  1.00  0.860          C  
ATOM    209  CG  LEU A  14       6.344   3.655  -5.641  1.00  0.860          C  
ATOM    210  CD1 LEU A  14       7.693   3.406  -4.994  1.00  0.860          C  
ATOM    211  CD2 LEU A  14       5.952   5.107  -5.503  1.00  0.860          C  
ATOM    212  H   LEU A  14       8.422   1.831  -8.096  1.00  0.820          H  
ATOM    213  HA  LEU A  14       5.931   1.224  -6.570  1.00  0.710          H  
ATOM    214 1HB  LEU A  14       7.220   3.671  -7.600  1.00  1.030          H  
ATOM    215 2HB  LEU A  14       5.461   3.655  -7.639  1.00  1.030          H  
ATOM    216  HG  LEU A  14       5.634   3.041  -5.126  1.00  1.030          H  
ATOM    217 1HD1 LEU A  14       7.639   3.691  -3.944  1.00  1.030          H  
ATOM    218 2HD1 LEU A  14       7.956   2.370  -5.049  1.00  1.030          H  
ATOM    219 3HD1 LEU A  14       8.456   4.003  -5.494  1.00  1.030          H  
ATOM    220 1HD2 LEU A  14       5.935   5.353  -4.450  1.00  1.030          H  
ATOM    221 2HD2 LEU A  14       6.666   5.738  -5.991  1.00  1.030          H  
ATOM    222 3HD2 LEU A  14       4.962   5.273  -5.937  1.00  1.030          H  
ATOM    223  N   ALA A  15       6.342   1.430  -9.814  1.00  0.690          N  
ATOM    224  CA  ALA A  15       5.711   1.150 -11.102  1.00  0.730          C  
ATOM    225  C   ALA A  15       5.046  -0.219 -11.126  1.00  0.670          C  
ATOM    226  O   ALA A  15       3.949  -0.384 -11.658  1.00  0.690          O  
ATOM    227  CB  ALA A  15       6.747   1.177 -12.199  1.00  1.010          C  
ATOM    228  H   ALA A  15       7.295   1.806  -9.808  1.00  0.830          H  
ATOM    229  HA  ALA A  15       4.960   1.920 -11.280  1.00  0.880          H  
ATOM    230 1HB  ALA A  15       6.284   1.001 -13.161  1.00  1.210          H  
ATOM    231 2HB  ALA A  15       7.219   2.108 -12.198  1.00  1.210          H  
ATOM    232 3HB  ALA A  15       7.492   0.408 -12.016  1.00  1.210          H  
ATOM    233  N   ARG A  16       5.651  -1.182 -10.437  1.00  0.780          N  
ATOM    234  CA  ARG A  16       5.146  -2.549 -10.383  1.00  0.960          C  
ATOM    235  C   ARG A  16       3.718  -2.676  -9.821  1.00  0.950          C  
ATOM    236  O   ARG A  16       3.056  -3.690 -10.051  1.00  1.100          O  
ATOM    237  CB  ARG A  16       6.116  -3.393  -9.570  1.00  1.270          C  
ATOM    238  CG  ARG A  16       6.263  -2.981  -8.104  1.00  1.270          C  
ATOM    239  CD  ARG A  16       7.290  -3.794  -7.407  1.00  1.270          C  
ATOM    240  NE  ARG A  16       7.544  -3.306  -6.047  1.00  1.270          N  
ATOM    241  CZ  ARG A  16       8.128  -4.018  -5.053  1.00  1.270          C  
ATOM    242  NH1 ARG A  16       8.513  -5.269  -5.251  1.00  1.270          N  
ATOM    243  NH2 ARG A  16       8.311  -3.460  -3.868  1.00  1.270          N  
ATOM    244  H   ARG A  16       6.536  -0.971  -9.991  1.00  0.940          H  
ATOM    245  HA  ARG A  16       5.141  -2.939 -11.399  1.00  1.150          H  
ATOM    246 1HB  ARG A  16       5.792  -4.431  -9.589  1.00  1.530          H  
ATOM    247 2HB  ARG A  16       7.103  -3.344 -10.026  1.00  1.530          H  
ATOM    248 1HG  ARG A  16       6.555  -1.933  -8.044  1.00  1.530          H  
ATOM    249 2HG  ARG A  16       5.315  -3.118  -7.583  1.00  1.530          H  
ATOM    250 1HD  ARG A  16       6.941  -4.821  -7.350  1.00  1.530          H  
ATOM    251 2HD  ARG A  16       8.228  -3.750  -7.964  1.00  1.530          H  
ATOM    252  HE  ARG A  16       7.295  -2.320  -5.849  1.00  1.530          H  
ATOM    253 1HH1 ARG A  16       8.377  -5.708  -6.148  1.00  1.530          H  
ATOM    254 2HH1 ARG A  16       8.944  -5.789  -4.500  1.00  1.530          H  
ATOM    255 1HH2 ARG A  16       8.008  -2.509  -3.697  1.00  1.530          H  
ATOM    256 2HH2 ARG A  16       8.739  -3.983  -3.125  1.00  1.530          H  
ATOM    257  N   THR A  17       3.257  -1.666  -9.083  1.00  1.000          N  
ATOM    258  CA  THR A  17       1.912  -1.643  -8.513  1.00  1.280          C  
ATOM    259  C   THR A  17       1.098  -0.460  -9.062  1.00  1.220          C  
ATOM    260  O   THR A  17      -0.128  -0.536  -9.204  1.00  1.540          O  
ATOM    261  CB  THR A  17       1.961  -1.515  -6.960  1.00  1.680          C  
ATOM    262  OG1 THR A  17       2.665  -2.625  -6.388  1.00  1.680          O  
ATOM    263  CG2 THR A  17       0.544  -1.454  -6.359  1.00  1.680          C  
ATOM    264  H   THR A  17       3.861  -0.864  -8.930  1.00  1.200          H  
ATOM    265  HA  THR A  17       1.399  -2.564  -8.782  1.00  1.540          H  
ATOM    266  HB  THR A  17       2.496  -0.606  -6.700  1.00  2.020          H  
ATOM    267  HG1 THR A  17       2.839  -2.426  -5.441  1.00  2.020          H  
ATOM    268 1HG2 THR A  17       0.618  -1.361  -5.279  1.00  2.020          H  
ATOM    269 2HG2 THR A  17       0.001  -0.598  -6.744  1.00  2.020          H  
ATOM    270 3HG2 THR A  17       0.006  -2.366  -6.607  1.00  2.020          H  
ATOM    271  N   LEU A  18       1.784   0.648  -9.325  1.00  0.910          N  
ATOM    272  CA  LEU A  18       1.158   1.910  -9.673  1.00  1.000          C  
ATOM    273  C   LEU A  18       1.236   2.387 -11.128  1.00  0.910          C  
ATOM    274  O   LEU A  18       0.546   3.351 -11.486  1.00  0.860          O  
ATOM    275  CB  LEU A  18       1.785   2.932  -8.737  1.00  1.360          C  
ATOM    276  CG  LEU A  18       1.564   2.633  -7.207  1.00  1.360          C  
ATOM    277  CD1 LEU A  18       2.377   3.580  -6.418  1.00  1.360          C  
ATOM    278  CD2 LEU A  18       0.061   2.762  -6.829  1.00  1.360          C  
ATOM    279  H   LEU A  18       2.796   0.640  -9.212  1.00  1.090          H  
ATOM    280  HA  LEU A  18       0.103   1.818  -9.445  1.00  1.200          H  
ATOM    281 1HB  LEU A  18       2.860   2.974  -8.930  1.00  1.640          H  
ATOM    282 2HB  LEU A  18       1.361   3.910  -8.957  1.00  1.640          H  
ATOM    283  HG  LEU A  18       1.900   1.636  -6.971  1.00  1.640          H  
ATOM    284 1HD1 LEU A  18       2.225   3.374  -5.384  1.00  1.640          H  
ATOM    285 2HD1 LEU A  18       3.413   3.445  -6.672  1.00  1.640          H  
ATOM    286 3HD1 LEU A  18       2.107   4.574  -6.631  1.00  1.640          H  
ATOM    287 1HD2 LEU A  18      -0.060   2.567  -5.764  1.00  1.640          H  
ATOM    288 2HD2 LEU A  18      -0.292   3.760  -7.051  1.00  1.640          H  
ATOM    289 3HD2 LEU A  18      -0.539   2.047  -7.382  1.00  1.640          H  
ATOM    290  N   ALA A  19       1.998   1.715 -12.004  1.00  1.010          N  
ATOM    291  CA  ALA A  19       2.168   2.210 -13.371  1.00  1.070          C  
ATOM    292  C   ALA A  19       0.832   2.371 -14.086  1.00  0.970          C  
ATOM    293  O   ALA A  19       0.644   3.297 -14.862  1.00  0.940          O  
ATOM    294  CB  ALA A  19       3.064   1.316 -14.175  1.00  1.470          C  
ATOM    295  H   ALA A  19       2.541   0.897 -11.718  1.00  1.210          H  
ATOM    296  HA  ALA A  19       2.653   3.178 -13.304  1.00  1.280          H  
ATOM    297 1HB  ALA A  19       3.193   1.753 -15.142  1.00  1.770          H  
ATOM    298 2HB  ALA A  19       4.016   1.235 -13.689  1.00  1.770          H  
ATOM    299 3HB  ALA A  19       2.616   0.328 -14.267  1.00  1.770          H  
ATOM    300  N   ASP A  20      -0.152   1.531 -13.795  1.00  0.970          N  
ATOM    301  CA  ASP A  20      -1.421   1.701 -14.484  1.00  1.060          C  
ATOM    302  C   ASP A  20      -2.008   3.100 -14.255  1.00  0.950          C  
ATOM    303  O   ASP A  20      -2.590   3.680 -15.175  1.00  1.170          O  
ATOM    304  CB  ASP A  20      -2.443   0.675 -13.997  1.00  1.450          C  
ATOM    305  CG  ASP A  20      -2.169  -0.758 -14.452  1.00  1.450          C  
ATOM    306  OD1 ASP A  20      -1.380  -0.969 -15.338  1.00  1.450          O  
ATOM    307  OD2 ASP A  20      -2.760  -1.634 -13.881  1.00  1.450          O  
ATOM    308  H   ASP A  20      -0.005   0.762 -13.156  1.00  1.160          H  
ATOM    309  HA  ASP A  20      -1.261   1.566 -15.547  1.00  1.270          H  
ATOM    310 1HB  ASP A  20      -2.471   0.692 -12.905  1.00  1.740          H  
ATOM    311 2HB  ASP A  20      -3.436   0.970 -14.346  1.00  1.740          H  
ATOM    312  N   LEU A  21      -1.844   3.650 -13.036  1.00  0.740          N  
ATOM    313  CA  LEU A  21      -2.418   4.948 -12.692  1.00  0.750          C  
ATOM    314  C   LEU A  21      -1.552   6.045 -13.265  1.00  0.830          C  
ATOM    315  O   LEU A  21      -2.045   7.087 -13.703  1.00  0.950          O  
ATOM    316  CB  LEU A  21      -2.495   5.080 -11.173  1.00  1.050          C  
ATOM    317  CG  LEU A  21      -3.437   4.104 -10.433  1.00  1.050          C  
ATOM    318  CD1 LEU A  21      -3.231   4.295  -8.935  1.00  1.050          C  
ATOM    319  CD2 LEU A  21      -4.901   4.361 -10.824  1.00  1.050          C  
ATOM    320  H   LEU A  21      -1.282   3.169 -12.331  1.00  0.890          H  
ATOM    321  HA  LEU A  21      -3.406   5.031 -13.136  1.00  0.900          H  
ATOM    322 1HB  LEU A  21      -1.497   4.914 -10.783  1.00  1.260          H  
ATOM    323 2HB  LEU A  21      -2.794   6.091 -10.922  1.00  1.260          H  
ATOM    324  HG  LEU A  21      -3.170   3.078 -10.685  1.00  1.260          H  
ATOM    325 1HD1 LEU A  21      -3.869   3.606  -8.384  1.00  1.260          H  
ATOM    326 2HD1 LEU A  21      -2.185   4.100  -8.686  1.00  1.260          H  
ATOM    327 3HD1 LEU A  21      -3.482   5.316  -8.664  1.00  1.260          H  
ATOM    328 1HD2 LEU A  21      -5.544   3.669 -10.282  1.00  1.260          H  
ATOM    329 2HD2 LEU A  21      -5.172   5.384 -10.565  1.00  1.260          H  
ATOM    330 3HD2 LEU A  21      -5.051   4.210 -11.895  1.00  1.260          H  
ATOM    331  N   CYS A  22      -0.254   5.788 -13.263  1.00  0.860          N  
ATOM    332  CA  CYS A  22       0.753   6.676 -13.816  1.00  0.970          C  
ATOM    333  C   CYS A  22       0.463   6.928 -15.283  1.00  0.900          C  
ATOM    334  O   CYS A  22       0.522   8.064 -15.771  1.00  1.040          O  
ATOM    335  CB  CYS A  22       2.090   6.005 -13.661  1.00  1.310          C  
ATOM    336  SG  CYS A  22       3.429   6.790 -14.367  1.00  1.310          S  
ATOM    337  H   CYS A  22       0.051   4.913 -12.823  1.00  1.030          H  
ATOM    338  HA  CYS A  22       0.744   7.617 -13.285  1.00  1.160          H  
ATOM    339 1HB  CYS A  22       2.305   5.827 -12.608  1.00  1.580          H  
ATOM    340 2HB  CYS A  22       2.013   5.074 -14.129  1.00  1.580          H  
ATOM    341  N   TRP A  23       0.182   5.848 -16.001  1.00  0.760          N  
ATOM    342  CA  TRP A  23      -0.117   5.938 -17.407  1.00  0.770          C  
ATOM    343  C   TRP A  23      -1.427   6.691 -17.639  1.00  0.810          C  
ATOM    344  O   TRP A  23      -1.463   7.631 -18.437  1.00  1.000          O  
ATOM    345  CB  TRP A  23      -0.193   4.528 -17.974  1.00  1.070          C  
ATOM    346  CG  TRP A  23       1.134   3.809 -17.952  1.00  1.070          C  
ATOM    347  CD1 TRP A  23       2.386   4.359 -17.974  1.00  1.070          C  
ATOM    348  CD2 TRP A  23       1.333   2.385 -17.856  1.00  1.070          C  
ATOM    349  NE1 TRP A  23       3.330   3.375 -17.924  1.00  1.070          N  
ATOM    350  CE2 TRP A  23       2.708   2.165 -17.850  1.00  1.070          C  
ATOM    351  CE3 TRP A  23       0.470   1.298 -17.772  1.00  1.070          C  
ATOM    352  CZ2 TRP A  23       3.244   0.892 -17.768  1.00  1.070          C  
ATOM    353  CZ3 TRP A  23       1.000   0.028 -17.676  1.00  1.070          C  
ATOM    354  CH2 TRP A  23       2.352  -0.173 -17.677  1.00  1.070          C  
ATOM    355  H   TRP A  23       0.208   4.934 -15.545  1.00  0.910          H  
ATOM    356  HA  TRP A  23       0.680   6.487 -17.899  1.00  0.920          H  
ATOM    357 1HB  TRP A  23      -0.904   3.945 -17.384  1.00  1.290          H  
ATOM    358 2HB  TRP A  23      -0.558   4.560 -18.997  1.00  1.290          H  
ATOM    359  HD1 TRP A  23       2.616   5.421 -18.022  1.00  1.290          H  
ATOM    360  HE1 TRP A  23       4.328   3.527 -17.925  1.00  1.290          H  
ATOM    361  HE3 TRP A  23      -0.607   1.444 -17.772  1.00  1.290          H  
ATOM    362  HZ2 TRP A  23       4.318   0.715 -17.762  1.00  1.290          H  
ATOM    363  HZ3 TRP A  23       0.305  -0.812 -17.597  1.00  1.290          H  
ATOM    364  HH2 TRP A  23       2.735  -1.189 -17.601  1.00  1.290          H  
ATOM    365  N   GLU A  24      -2.480   6.372 -16.870  1.00  0.850          N  
ATOM    366  CA  GLU A  24      -3.771   7.052 -17.029  1.00  1.120          C  
ATOM    367  C   GLU A  24      -3.657   8.549 -16.777  1.00  1.350          C  
ATOM    368  O   GLU A  24      -4.299   9.360 -17.448  1.00  1.660          O  
ATOM    369  CB  GLU A  24      -4.829   6.477 -16.079  1.00  1.460          C  
ATOM    370  CG  GLU A  24      -5.338   5.079 -16.421  1.00  1.460          C  
ATOM    371  CD  GLU A  24      -6.296   4.544 -15.378  1.00  1.460          C  
ATOM    372  OE1 GLU A  24      -6.462   5.196 -14.373  1.00  1.460          O  
ATOM    373  OE2 GLU A  24      -6.853   3.493 -15.586  1.00  1.460          O  
ATOM    374  H   GLU A  24      -2.407   5.586 -16.215  1.00  1.020          H  
ATOM    375  HA  GLU A  24      -4.110   6.905 -18.054  1.00  1.340          H  
ATOM    376 1HB  GLU A  24      -4.411   6.433 -15.072  1.00  1.750          H  
ATOM    377 2HB  GLU A  24      -5.687   7.146 -16.044  1.00  1.750          H  
ATOM    378 1HG  GLU A  24      -5.856   5.126 -17.377  1.00  1.750          H  
ATOM    379 2HG  GLU A  24      -4.502   4.405 -16.534  1.00  1.750          H  
ATOM    380  N   ALA A  25      -2.804   8.916 -15.824  1.00  1.320          N  
ATOM    381  CA  ALA A  25      -2.585  10.294 -15.434  1.00  1.630          C  
ATOM    382  C   ALA A  25      -1.692  11.071 -16.407  1.00  1.550          C  
ATOM    383  O   ALA A  25      -1.533  12.282 -16.242  1.00  1.850          O  
ATOM    384  CB  ALA A  25      -1.973  10.325 -14.048  1.00  2.160          C  
ATOM    385  H   ALA A  25      -2.344   8.180 -15.282  1.00  1.580          H  
ATOM    386  HA  ALA A  25      -3.555  10.790 -15.407  1.00  1.960          H  
ATOM    387 1HB  ALA A  25      -1.835  11.353 -13.724  1.00  2.590          H  
ATOM    388 2HB  ALA A  25      -2.632   9.804 -13.357  1.00  2.590          H  
ATOM    389 3HB  ALA A  25      -1.020   9.818 -14.077  1.00  2.590          H  
ATOM    390  N   GLY A  26      -1.093  10.397 -17.400  1.00  1.890          N  
ATOM    391  CA  GLY A  26      -0.220  11.069 -18.351  1.00  2.090          C  
ATOM    392  C   GLY A  26       1.136  11.483 -17.780  1.00  2.010          C  
ATOM    393  O   GLY A  26       1.697  12.496 -18.208  1.00  2.400          O  
ATOM    394  H   GLY A  26      -1.272   9.401 -17.535  1.00  2.270          H  
ATOM    395 1HA  GLY A  26      -0.061  10.403 -19.199  1.00  2.510          H  
ATOM    396 2HA  GLY A  26      -0.731  11.948 -18.737  1.00  2.510          H  
ATOM    397  N   VAL A  27       1.666  10.736 -16.813  1.00  1.800          N  
ATOM    398  CA  VAL A  27       2.931  11.112 -16.186  1.00  1.940          C  
ATOM    399  C   VAL A  27       4.000  10.024 -16.307  1.00  2.410          C  
ATOM    400  O   VAL A  27       3.754   8.970 -16.897  1.00  2.860          O  
ATOM    401  CB  VAL A  27       2.690  11.522 -14.722  1.00  2.660          C  
ATOM    402  CG1 VAL A  27       1.743  12.725 -14.663  1.00  2.660          C  
ATOM    403  CG2 VAL A  27       2.103  10.392 -13.979  1.00  2.660          C  
ATOM    404  H   VAL A  27       1.187   9.881 -16.503  1.00  2.160          H  
ATOM    405  HA  VAL A  27       3.314  11.993 -16.702  1.00  2.330          H  
ATOM    406  HB  VAL A  27       3.633  11.808 -14.268  1.00  3.190          H  
ATOM    407 1HG1 VAL A  27       1.586  13.014 -13.626  1.00  3.190          H  
ATOM    408 2HG1 VAL A  27       2.179  13.557 -15.212  1.00  3.190          H  
ATOM    409 3HG1 VAL A  27       0.787  12.462 -15.109  1.00  3.190          H  
ATOM    410 1HG2 VAL A  27       1.946  10.690 -12.951  1.00  3.190          H  
ATOM    411 2HG2 VAL A  27       1.169  10.111 -14.420  1.00  3.190          H  
ATOM    412 3HG2 VAL A  27       2.781   9.550 -14.010  1.00  3.190          H  
ATOM    413  N   ASP A  28       5.217  10.341 -15.849  1.00  2.870          N  
ATOM    414  CA  ASP A  28       6.353   9.428 -15.936  1.00  3.690          C  
ATOM    415  C   ASP A  28       6.785   8.859 -14.580  1.00  4.150          C  
ATOM    416  O   ASP A  28       7.958   8.535 -14.402  1.00  4.510          O  
ATOM    417  OXT ASP A  28       6.037   8.908 -13.606  1.00  5.540          O  
ATOM    418  CB  ASP A  28       7.546  10.161 -16.558  1.00  4.490          C  
ATOM    419  CG  ASP A  28       7.333  10.582 -18.020  1.00  4.490          C  
ATOM    420  OD1 ASP A  28       6.956   9.766 -18.832  1.00  4.490          O  
ATOM    421  OD2 ASP A  28       7.551  11.743 -18.305  1.00  4.490          O  
ATOM    422  H   ASP A  28       5.348  11.238 -15.409  1.00  3.440          H  
ATOM    423  HA  ASP A  28       6.072   8.591 -16.578  1.00  4.430          H  
ATOM    424 1HB  ASP A  28       7.768  11.051 -15.970  1.00  5.390          H  
ATOM    425 2HB  ASP A  28       8.425   9.519 -16.513  1.00  5.390          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 -130.904 15.0042 93.1367 -8.15462 2.6996 5.90549 46.7529 -54.6112 -0.27702 -1.65216 -37.3946 -7.05062 -18.1149 -3.06437 -2.20724 -1.6317 -0.1017 -0.37596 1.90314 8.61073 26.963 -6.21435 4.61183 7.53494 6.86235 15.3037 -36.4661
GLN:NtermProteinFull_1 -1.77499 0.07129 1.36096 -0.24148 0.01796 0.18969 0.46598 -0.62305 -0.04071 -0.15427 -1.09889 1.0471 0 0 0 -0.81585 0 0.01501 0.02342 0 2.89591 0 0 -0.18838 0 0.07317 1.22286
GLN_2 -4.9338 0.93816 2.23284 -0.6109 0.08038 0.59659 0.65549 -1.22091 -0.04071 -0.15427 -1.14635 -0.46661 0 0 -0.53861 0 0 0.28086 0.02327 0 2.07212 -0.09022 0 -0.18838 -0.17221 0.73688 -1.94637
PRO_3 -4.23231 0.70557 2.97243 -0.19733 0.0042 0.14493 1.62251 -1.55935 -0 -0 -1.48458 -0.02825 0 0 0 0 0 0.1134 0.00232 0.44956 0 -0.89701 0 -2.4119 -0.39842 0.93914 -4.2551
GLN_4 -3.37299 0.54763 2.99849 -0.67933 0.28954 1.04698 0.94637 -1.59212 -0 -0 -1.32258 -2.07512 0 0 0 0 0 -0.19913 0.01254 0 3.18487 -0.01546 0 -0.18838 -0.21081 0.60731 -0.02219
ALA_5 -2.25052 0.42803 1.47385 -0.02446 6e-05 0 0.71627 -1.03732 -0 -0 0.09998 -0.39463 0 0 0 0 0 -0.09246 0 0 0 -0.33341 0 1.8394 -0.31799 0.41887 0.52565
VAL_6 -5.6701 0.8231 2.35254 -0.3176 0.26111 0.07276 2.22028 -1.94425 -0.01519 -0.10817 -1.54185 -0.4525 0 0 0 0 0 0.02959 0.00013 0.12322 0 0.12205 0 1.9342 -0.22201 0.23651 -2.09617
HIS_7 -7.44359 0.86661 4.87685 -0.45783 0.18843 0.43882 2.36332 -2.98287 -0 -0 -1.90771 -0.46784 0 0 -0.53861 0 0 -0.07422 0.34555 0 3.19293 -0.01787 0 -0.45461 0.01172 0.55426 -1.50669
THR_8 -4.99654 0.69549 2.6082 -0.13823 0.07362 0.09265 0.76316 -1.75772 -0.01962 -0.13711 0.0027 -0.97301 0 0 0 0 0 -0.00791 0.00476 0.03819 0 -0.32104 2.29053 -1.0874 -0.07616 0.55871 -2.38673
TYR_9 -6.3833 0.5637 4.21181 -0.67063 0.01925 0.11176 2.24866 -2.4441 -0.04377 -0.30255 -1.17563 -0.36519 0 0 0 0 0 -0.04729 0.01459 0 2.48896 -0.05531 0.00222 1.2797 -0.09588 0.52589 -0.11709
CYS:disulfide_10 -4.78842 0.66052 2.44388 -0.05249 0.12754 0.02674 0.65083 -1.61187 -0.00424 -0.01232 -1.37474 -0.40194 0 0 0 0 -0.05085 -0.05482 0.34662 0.27774 0 0.15178 0 3.6196 -0.12539 0.85243 0.68061
GLY_11 -3.37091 0.3566 3.47961 -0.00027 0 0 2.56888 -1.92377 -0.00638 -0.06323 -2.58573 -0.1894 0 0 0 0 0 -0.10174 0 0 0 -0.84874 0 0.83697 0.11198 0.80615 -0.92997
ARG_12 -2.23796 0.17861 2.1041 -0.42425 0.05006 0.1991 0.57823 -0.99385 -0.0222 -0.13114 0.36376 0.52904 0 0 0 0 0 0.04644 0.03006 1.11546 0 0.13947 0 -1.2888 5.61352 0.78121 6.63087
HIS_13 -3.65938 0.28512 2.79714 -0.46708 0.01795 0.57928 0.77909 -1.42077 -0 -0 -0.4675 -0.32612 0 0 -0.56501 0 0 -0.04685 0.05898 0 2.45646 -0.47635 0 -0.45461 5.3183 0.34547 4.75412
LEU_14 -7.62016 1.02598 4.24484 -0.48224 0.24291 0.11134 2.85255 -2.62005 -0.0198 -0.08273 -3.26211 0.03938 0 0 0 0 0 -0.04037 0.21481 2.49252 0 -0.24441 0 0.18072 -0.06898 0.49236 -2.54344
ALA_15 -4.67438 0.66204 3.68767 -0.02259 0 0 2.61538 -2.5054 -0 -0 -1.79344 -0.3593 0 0 0 0 0 -0.08642 0 0 0 -0.42789 0 1.8394 -0.13878 0.66286 -0.54085
ARG_16 -3.5905 0.28711 3.69019 -0.54349 0.10527 0.31697 0.98736 -1.62481 -0 -0 -0.94988 0.55476 0 0 -0.56501 0 0 -0.08017 0.25256 2.17034 0 -0.08058 0 -1.2888 -0.42848 0.42014 -0.36701
THR_17 -3.64615 0.33679 3.29637 -0.20571 0.23713 0.07907 1.56605 -1.59993 -0 -0 -1.48459 0.09308 0 0 0 -0.81585 0 0.10382 0.02083 0.4352 0 -0.38347 2.31908 -1.0874 0.01481 0.33511 -0.38577
LEU_18 -8.38895 0.91395 4.5475 -0.53204 0.3198 0.153 3.38397 -2.94924 -0.00022 -0.00272 -2.53405 0.12538 0 0 0 0 0 -0.01877 0.13984 0.36465 0 -0.02246 0 0.18072 0.14546 0.95301 -3.22115
ALA_19 -6.10027 0.89692 3.65702 -0.02344 0 0 3.04988 -2.71074 -0.02294 -0.10472 -2.25186 -0.3703 0 0 0 0 0 -0.05959 0 0 0 -0.40176 0 1.8394 -0.36818 1.08667 -1.8839
ASP_20 -3.88332 0.41115 4.29161 -0.11069 0.00795 0.33682 1.55236 -2.09078 -0 -0 -0.9107 -0.43251 0 0 0 0 0 -0.0582 0.00133 0 1.68328 0.09241 0 -2.3716 -0.46705 0.4553 -1.49263
LEU_21 -6.15731 0.44825 4.91774 -0.48567 0.21563 0.11141 2.84161 -2.75231 -0.01123 -0.12462 -2.35695 0.1866 0 0 0 0 0 0.21212 0.02426 0.35795 0 -0.27175 0 0.18072 -0.21045 0.33289 -2.5411
CYS:disulfide_22 -9.3186 0.893 6.67928 -0.0643 0.00019 0.06063 2.87271 -3.8377 -0.01539 -0.1248 -1.24977 -0.40048 0 0 0 0 -0.05085 0.00394 0.25533 0.76787 0 0.25786 0 3.6196 0.26772 0.74413 1.3604
TRP_23 -6.72012 0.53904 4.59752 -0.74497 0.18062 0.4423 2.25618 -2.89098 -0.00022 -0.00272 -2.1996 -0.34301 0 0 0 0 0 0.00957 0.07981 0 3.10763 -0.17761 0 1.6906 0.33145 0.62778 0.78328
GLU_24 -3.14509 0.21767 3.90705 -0.21539 0.02416 0.2974 1.53755 -1.81841 -0.01437 -0.14661 -0.2639 -0.60136 0 0 0 0 0 -0.06546 0.02795 0 3.03613 -0.32195 0 -2.7348 -0.33975 0.39181 -0.22738
ALA_25 -3.4663 0.27587 1.96154 -0.02719 0.00335 0 1.20574 -1.6536 -0 -0 -1.05023 -0.42086 0 0 0 0 0 -0.0525 0 0 0 -0.04949 0 1.8394 -0.62409 0.32818 -1.73017
GLY_26 -1.82208 0.18149 2.19328 -5e-05 0 0 1.00941 -1.19022 -0 -0 -1.2197 -0.38826 0 0 0 0 0 -0.13492 0 0 0 -1.12163 0 0.83697 -0.58918 0.30003 -1.94487
VAL_27 -4.76002 0.65997 2.35894 -0.2866 0.20078 0.04835 1.38721 -1.89936 -2e-05 -9e-05 -0.82827 -0.05103 0 0 0 0 0 0.0301 0.00015 0.01803 0 -0.41951 0 1.9342 -0.20331 0.33136 -1.47913
ASP:CtermProteinFull_28 -2.49601 0.13449 3.19344 -0.12837 0.03169 0.44893 1.05581 -1.35576 -2e-05 -9e-05 -1.40046 -0.11826 0 0 0 0 0 0 0.02404 0 2.84476 0 0 -2.3716 0.1045 0.406 0.37308
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 701835 DOMAINID 692256 MODEL 4 BOMBYXIN-II
MODEL     4
REMARK    Rerank model01.pdb to model04.pdb score: 11.020
REMARK    CLUSTER 0001 t000_.out.valid.rescored.best_scoring.binary cluster_size: 20 cluster_threshold: 3.487858
REMARK    SCORE          fa_dun:          38.260
REMARK    SCORE     rama_prepro:          -3.337
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE atom_pair_constraint:         -53.742
REMARK    SCORE     total_score:         -85.107
REMARK    SCORE     hbond_lr_bb:          -1.312
REMARK    SCORE          fa_sol:          76.600
REMARK    SCORE angle_constraint:           0.000
REMARK    SCORE             ref:          15.018
REMARK    SCORE         p_aa_pp:          -4.053
REMARK    SCORE     hbond_bb_sc:          -1.633
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE          fa_atr:        -130.112
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE fa_intra_sol_xover4:           5.866
REMARK    SCORE coordinate_constraint:           0.000
REMARK    SCORE          fa_rep:          16.272
REMARK    SCORE           omega:          -0.596
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE     cart_bonded:          14.370
REMARK    SCORE        hbond_sc:           0.000
REMARK    SCORE     lk_ball_wtd:          -3.362
REMARK    SCORE           score:         -85.107
REMARK    SCORE dihedral_constraint:           0.000
REMARK    SCORE            time:           0.000
REMARK    SCORE    fa_intra_rep:           0.240
REMARK    SCORE     hbond_sr_bb:         -18.883
REMARK    SCORE     description: cluster0001_0001
REMARK    SCORE         fa_elec:         -34.702
ATOM      1  N   GLN A   1       1.908  -0.464   0.305  1.00  7.470          N  
ATOM      2  CA  GLN A   1       3.284  -0.154  -0.069  1.00  6.720          C  
ATOM      3  C   GLN A   1       3.530   1.345  -0.090  1.00  5.800          C  
ATOM      4  O   GLN A   1       4.101   1.905   0.844  1.00  5.940          O  
ATOM      5  CB  GLN A   1       3.637  -0.732  -1.447  1.00  9.710          C  
ATOM      6  CG  GLN A   1       5.104  -0.496  -1.874  1.00  9.710          C  
ATOM      7  CD  GLN A   1       5.359  -0.958  -3.271  1.00  9.710          C  
ATOM      8  OE1 GLN A   1       4.486  -0.809  -4.129  1.00  9.710          O  
ATOM      9  NE2 GLN A   1       6.534  -1.511  -3.520  1.00  9.710          N  
ATOM     10 1H   GLN A   1       1.448  -0.946  -0.454  1.00  8.960          H  
ATOM     11 2H   GLN A   1       1.907  -1.053   1.126  1.00  8.960          H  
ATOM     12 3H   GLN A   1       1.416   0.395   0.507  1.00  8.960          H  
ATOM     13  HA  GLN A   1       3.951  -0.593   0.673  1.00  8.060          H  
ATOM     14 1HB  GLN A   1       3.484  -1.811  -1.427  1.00 11.650          H  
ATOM     15 2HB  GLN A   1       2.979  -0.335  -2.212  1.00 11.650          H  
ATOM     16 1HG  GLN A   1       5.365   0.555  -1.821  1.00 11.650          H  
ATOM     17 2HG  GLN A   1       5.753  -1.067  -1.211  1.00 11.650          H  
ATOM     18 1HE2 GLN A   1       6.750  -1.838  -4.442  1.00 11.650          H  
ATOM     19 2HE2 GLN A   1       7.211  -1.609  -2.788  1.00 11.650          H  
ATOM     20  N   GLN A   2       3.130   1.988  -1.183  1.00  5.160          N  
ATOM     21  CA  GLN A   2       3.358   3.409  -1.373  1.00  4.540          C  
ATOM     22  C   GLN A   2       2.145   4.015  -2.066  1.00  3.900          C  
ATOM     23  O   GLN A   2       1.476   3.323  -2.841  1.00  3.900          O  
ATOM     24  CB  GLN A   2       4.601   3.604  -2.255  1.00  6.600          C  
ATOM     25  CG  GLN A   2       4.415   3.091  -3.692  1.00  6.600          C  
ATOM     26  CD  GLN A   2       5.648   3.212  -4.542  1.00  6.600          C  
ATOM     27  OE1 GLN A   2       6.578   3.944  -4.216  1.00  6.600          O  
ATOM     28  NE2 GLN A   2       5.668   2.486  -5.650  1.00  6.600          N  
ATOM     29  H   GLN A   2       2.661   1.482  -1.921  1.00  6.190          H  
ATOM     30  HA  GLN A   2       3.511   3.868  -0.399  1.00  5.450          H  
ATOM     31 1HB  GLN A   2       4.889   4.644  -2.295  1.00  7.920          H  
ATOM     32 2HB  GLN A   2       5.440   3.064  -1.817  1.00  7.920          H  
ATOM     33 1HG  GLN A   2       4.115   2.046  -3.671  1.00  7.920          H  
ATOM     34 2HG  GLN A   2       3.654   3.681  -4.172  1.00  7.920          H  
ATOM     35 1HE2 GLN A   2       6.462   2.519  -6.260  1.00  7.920          H  
ATOM     36 2HE2 GLN A   2       4.887   1.898  -5.880  1.00  7.920          H  
ATOM     37  N   PRO A   3       1.868   5.314  -1.906  1.00  3.920          N  
ATOM     38  CA  PRO A   3       0.823   6.045  -2.595  1.00  3.910          C  
ATOM     39  C   PRO A   3       1.290   6.337  -4.008  1.00  3.360          C  
ATOM     40  O   PRO A   3       1.526   7.497  -4.369  1.00  3.190          O  
ATOM     41  CB  PRO A   3       0.683   7.307  -1.748  1.00  5.870          C  
ATOM     42  CG  PRO A   3       2.057   7.526  -1.225  1.00  5.870          C  
ATOM     43  CD  PRO A   3       2.616   6.136  -0.945  1.00  5.870          C  
ATOM     44  HA  PRO A   3      -0.104   5.449  -2.598  1.00  4.690          H  
ATOM     45 1HB  PRO A   3       0.327   8.146  -2.368  1.00  7.040          H  
ATOM     46 2HB  PRO A   3      -0.061   7.154  -0.952  1.00  7.040          H  
ATOM     47 1HG  PRO A   3       2.649   8.023  -1.987  1.00  7.040          H  
ATOM     48 2HG  PRO A   3       2.060   8.185  -0.341  1.00  7.040          H  
ATOM     49 1HD  PRO A   3       3.692   6.148  -1.153  1.00  7.040          H  
ATOM     50 2HD  PRO A   3       2.394   5.842   0.090  1.00  7.040          H  
ATOM     51  N   GLN A   4       1.408   5.254  -4.779  1.00  3.450          N  
ATOM     52  CA  GLN A   4       1.907   5.196  -6.149  1.00  3.550          C  
ATOM     53  C   GLN A   4       1.275   6.217  -7.084  1.00  3.120          C  
ATOM     54  O   GLN A   4       1.836   6.549  -8.119  1.00  3.460          O  
ATOM     55  CB  GLN A   4       1.698   3.794  -6.713  1.00  4.930          C  
ATOM     56  CG  GLN A   4       0.241   3.421  -6.947  1.00  4.930          C  
ATOM     57  CD  GLN A   4       0.088   1.995  -7.392  1.00  4.930          C  
ATOM     58  OE1 GLN A   4       0.915   1.483  -8.151  1.00  4.930          O  
ATOM     59  NE2 GLN A   4      -0.971   1.338  -6.935  1.00  4.930          N  
ATOM     60  H   GLN A   4       1.169   4.367  -4.327  1.00  4.140          H  
ATOM     61  HA  GLN A   4       2.978   5.387  -6.113  1.00  4.260          H  
ATOM     62 1HB  GLN A   4       2.228   3.701  -7.661  1.00  5.920          H  
ATOM     63 2HB  GLN A   4       2.121   3.059  -6.027  1.00  5.920          H  
ATOM     64 1HG  GLN A   4      -0.316   3.555  -6.021  1.00  5.920          H  
ATOM     65 2HG  GLN A   4      -0.173   4.056  -7.729  1.00  5.920          H  
ATOM     66 1HE2 GLN A   4      -1.123   0.384  -7.202  1.00  5.920          H  
ATOM     67 2HE2 GLN A   4      -1.617   1.791  -6.320  1.00  5.920          H  
ATOM     68  N   ALA A   5       0.139   6.774  -6.694  1.00  2.900          N  
ATOM     69  CA  ALA A   5      -0.598   7.749  -7.475  1.00  3.180          C  
ATOM     70  C   ALA A   5       0.256   8.964  -7.815  1.00  2.860          C  
ATOM     71  O   ALA A   5       0.024   9.615  -8.833  1.00  3.450          O  
ATOM     72  CB  ALA A   5      -1.819   8.204  -6.702  1.00  4.340          C  
ATOM     73  H   ALA A   5      -0.244   6.471  -5.814  1.00  3.480          H  
ATOM     74  HA  ALA A   5      -0.906   7.276  -8.407  1.00  3.820          H  
ATOM     75 1HB  ALA A   5      -2.379   8.920  -7.301  1.00  5.210          H  
ATOM     76 2HB  ALA A   5      -2.447   7.345  -6.476  1.00  5.210          H  
ATOM     77 3HB  ALA A   5      -1.498   8.678  -5.774  1.00  5.210          H  
ATOM     78  N   VAL A   6       1.233   9.293  -6.959  1.00  2.250          N  
ATOM     79  CA  VAL A   6       2.058  10.462  -7.230  1.00  2.400          C  
ATOM     80  C   VAL A   6       3.482  10.079  -7.654  1.00  2.280          C  
ATOM     81  O   VAL A   6       4.353  10.935  -7.803  1.00  2.490          O  
ATOM     82  CB  VAL A   6       2.055  11.425  -6.025  1.00  3.300          C  
ATOM     83  CG1 VAL A   6       0.632  11.896  -5.778  1.00  3.300          C  
ATOM     84  CG2 VAL A   6       2.594  10.776  -4.807  1.00  3.300          C  
ATOM     85  H   VAL A   6       1.380   8.718  -6.119  1.00  2.700          H  
ATOM     86  HA  VAL A   6       1.606  11.002  -8.060  1.00  2.880          H  
ATOM     87  HB  VAL A   6       2.661  12.292  -6.261  1.00  3.960          H  
ATOM     88 1HG1 VAL A   6       0.616  12.590  -4.944  1.00  3.960          H  
ATOM     89 2HG1 VAL A   6       0.254  12.388  -6.668  1.00  3.960          H  
ATOM     90 3HG1 VAL A   6       0.002  11.044  -5.544  1.00  3.960          H  
ATOM     91 1HG2 VAL A   6       2.565  11.499  -4.005  1.00  3.960          H  
ATOM     92 2HG2 VAL A   6       1.992   9.917  -4.541  1.00  3.960          H  
ATOM     93 3HG2 VAL A   6       3.605  10.466  -4.970  1.00  3.960          H  
ATOM     94  N   HIS A   7       3.699   8.786  -7.924  1.00  2.540          N  
ATOM     95  CA  HIS A   7       4.969   8.230  -8.414  1.00  3.000          C  
ATOM     96  C   HIS A   7       5.198   8.769  -9.825  1.00  2.620          C  
ATOM     97  O   HIS A   7       6.311   8.847 -10.350  1.00  3.190          O  
ATOM     98  CB  HIS A   7       4.904   6.697  -8.422  1.00  4.020          C  
ATOM     99  CG  HIS A   7       6.188   5.948  -8.707  1.00  4.020          C  
ATOM    100  ND1 HIS A   7       7.225   5.774  -7.770  1.00  4.020          N  
ATOM    101  CD2 HIS A   7       6.595   5.330  -9.836  1.00  4.020          C  
ATOM    102  CE1 HIS A   7       8.187   5.062  -8.342  1.00  4.020          C  
ATOM    103  NE2 HIS A   7       7.828   4.792  -9.586  1.00  4.020          N  
ATOM    104  H   HIS A   7       2.928   8.126  -7.815  1.00  3.050          H  
ATOM    105  HA  HIS A   7       5.794   8.545  -7.787  1.00  3.600          H  
ATOM    106 1HB  HIS A   7       4.552   6.367  -7.456  1.00  4.820          H  
ATOM    107 2HB  HIS A   7       4.167   6.379  -9.158  1.00  4.820          H  
ATOM    108  HD2 HIS A   7       6.038   5.270 -10.772  1.00  4.820          H  
ATOM    109  HE1 HIS A   7       9.122   4.748  -7.881  1.00  4.820          H  
ATOM    110  HE2 HIS A   7       8.374   4.267 -10.256  1.00  4.820          H  
ATOM    111  N   THR A   8       4.095   9.172 -10.435  1.00  2.070          N  
ATOM    112  CA  THR A   8       3.993   9.669 -11.783  1.00  2.220          C  
ATOM    113  C   THR A   8       4.671  11.023 -11.933  1.00  1.770          C  
ATOM    114  O   THR A   8       4.944  11.458 -13.053  1.00  2.180          O  
ATOM    115  CB  THR A   8       2.509   9.845 -12.134  1.00  3.050          C  
ATOM    116  OG1 THR A   8       1.963  10.823 -11.244  1.00  3.050          O  
ATOM    117  CG2 THR A   8       1.762   8.523 -11.922  1.00  3.050          C  
ATOM    118  H   THR A   8       3.227   9.117  -9.922  1.00  2.480          H  
ATOM    119  HA  THR A   8       4.464   8.959 -12.462  1.00  2.660          H  
ATOM    120  HB  THR A   8       2.406  10.183 -13.164  1.00  3.660          H  
ATOM    121  HG1 THR A   8       1.067  11.074 -11.509  1.00  3.660          H  
ATOM    122 1HG2 THR A   8       0.707   8.665 -12.152  1.00  3.660          H  
ATOM    123 2HG2 THR A   8       2.179   7.763 -12.579  1.00  3.660          H  
ATOM    124 3HG2 THR A   8       1.853   8.193 -10.888  1.00  3.660          H  
ATOM    125  N   TYR A   9       4.977  11.685 -10.813  1.00  1.590          N  
ATOM    126  CA  TYR A   9       5.615  12.983 -10.875  1.00  1.720          C  
ATOM    127  C   TYR A   9       7.102  12.894 -10.556  1.00  1.430          C  
ATOM    128  O   TYR A   9       7.756  13.925 -10.405  1.00  1.900          O  
ATOM    129  CB  TYR A   9       4.964  13.941  -9.884  1.00  2.360          C  
ATOM    130  CG  TYR A   9       3.516  14.161 -10.105  1.00  2.360          C  
ATOM    131  CD1 TYR A   9       2.620  13.604  -9.234  1.00  2.360          C  
ATOM    132  CD2 TYR A   9       3.080  14.890 -11.168  1.00  2.360          C  
ATOM    133  CE1 TYR A   9       1.277  13.773  -9.427  1.00  2.360          C  
ATOM    134  CE2 TYR A   9       1.744  15.076 -11.375  1.00  2.360          C  
ATOM    135  CZ  TYR A   9       0.838  14.511 -10.507  1.00  2.360          C  
ATOM    136  OH  TYR A   9      -0.506  14.669 -10.716  1.00  2.360          O  
ATOM    137  H   TYR A   9       4.740  11.295  -9.896  1.00  1.910          H  
ATOM    138  HA  TYR A   9       5.511  13.380 -11.882  1.00  2.060          H  
ATOM    139 1HB  TYR A   9       5.089  13.562  -8.879  1.00  2.830          H  
ATOM    140 2HB  TYR A   9       5.463  14.884  -9.945  1.00  2.830          H  
ATOM    141  HD1 TYR A   9       2.983  13.027  -8.399  1.00  2.830          H  
ATOM    142  HD2 TYR A   9       3.791  15.313 -11.837  1.00  2.830          H  
ATOM    143  HE1 TYR A   9       0.565  13.325  -8.743  1.00  2.830          H  
ATOM    144  HE2 TYR A   9       1.400  15.657 -12.229  1.00  2.830          H  
ATOM    145  HH  TYR A   9      -0.648  15.290 -11.434  1.00  2.830          H  
ATOM    146  N   CYS A  10       7.648  11.673 -10.462  1.00  1.310          N  
ATOM    147  CA  CYS A  10       9.056  11.514 -10.111  1.00  1.520          C  
ATOM    148  C   CYS A  10      10.045  11.881 -11.223  1.00  1.470          C  
ATOM    149  O   CYS A  10      11.195  12.216 -10.939  1.00  1.910          O  
ATOM    150  CB  CYS A  10       9.314  10.085  -9.659  1.00  2.040          C  
ATOM    151  SG  CYS A  10       8.488   9.675  -8.115  1.00  2.040          S  
ATOM    152  H   CYS A  10       7.073  10.834 -10.594  1.00  1.570          H  
ATOM    153  HA  CYS A  10       9.258  12.166  -9.262  1.00  1.820          H  
ATOM    154 1HB  CYS A  10       8.972   9.384 -10.422  1.00  2.450          H  
ATOM    155 2HB  CYS A  10      10.388   9.930  -9.520  1.00  2.450          H  
ATOM    156  HG  CYS A  10       9.233   8.599  -7.852  1.00  2.450          H  
ATOM    157  N   GLY A  11       9.628  11.823 -12.490  1.00  1.640          N  
ATOM    158  CA  GLY A  11      10.528  12.188 -13.579  1.00  1.810          C  
ATOM    159  C   GLY A  11      10.852  13.676 -13.482  1.00  1.570          C  
ATOM    160  O   GLY A  11       9.978  14.474 -13.127  1.00  1.480          O  
ATOM    161  H   GLY A  11       8.693  11.503 -12.701  1.00  1.970          H  
ATOM    162 1HA  GLY A  11      11.444  11.600 -13.513  1.00  2.170          H  
ATOM    163 2HA  GLY A  11      10.061  11.967 -14.537  1.00  2.170          H  
ATOM    164  N   ARG A  12      12.049  14.072 -13.936  1.00  1.850          N  
ATOM    165  CA  ARG A  12      12.536  15.458 -13.835  1.00  1.920          C  
ATOM    166  C   ARG A  12      11.615  16.516 -14.427  1.00  1.540          C  
ATOM    167  O   ARG A  12      11.477  17.610 -13.865  1.00  1.510          O  
ATOM    168  CB  ARG A  12      13.902  15.599 -14.491  1.00  2.660          C  
ATOM    169  CG  ARG A  12      15.054  14.943 -13.724  1.00  2.660          C  
ATOM    170  CD  ARG A  12      16.400  15.376 -14.232  1.00  2.660          C  
ATOM    171  NE  ARG A  12      16.648  14.955 -15.617  1.00  2.660          N  
ATOM    172  CZ  ARG A  12      17.167  13.760 -15.999  1.00  2.660          C  
ATOM    173  NH1 ARG A  12      17.489  12.845 -15.104  1.00  2.660          N  
ATOM    174  NH2 ARG A  12      17.351  13.513 -17.287  1.00  2.660          N  
ATOM    175  H   ARG A  12      12.678  13.359 -14.278  1.00  2.220          H  
ATOM    176  HA  ARG A  12      12.666  15.682 -12.779  1.00  2.300          H  
ATOM    177 1HB  ARG A  12      13.871  15.161 -15.488  1.00  3.190          H  
ATOM    178 2HB  ARG A  12      14.139  16.656 -14.605  1.00  3.190          H  
ATOM    179 1HG  ARG A  12      14.984  15.214 -12.670  1.00  3.190          H  
ATOM    180 2HG  ARG A  12      14.979  13.862 -13.821  1.00  3.190          H  
ATOM    181 1HD  ARG A  12      16.450  16.465 -14.201  1.00  3.190          H  
ATOM    182 2HD  ARG A  12      17.183  14.972 -13.595  1.00  3.190          H  
ATOM    183  HE  ARG A  12      16.430  15.620 -16.348  1.00  3.190          H  
ATOM    184 1HH1 ARG A  12      17.355  13.022 -14.121  1.00  3.190          H  
ATOM    185 2HH1 ARG A  12      17.875  11.959 -15.402  1.00  3.190          H  
ATOM    186 1HH2 ARG A  12      17.107  14.211 -17.976  1.00  3.190          H  
ATOM    187 2HH2 ARG A  12      17.736  12.628 -17.585  1.00  3.190          H  
ATOM    188  N   HIS A  13      10.916  16.188 -15.503  1.00  1.520          N  
ATOM    189  CA  HIS A  13      10.042  17.138 -16.172  1.00  1.480          C  
ATOM    190  C   HIS A  13       8.964  17.680 -15.235  1.00  1.200          C  
ATOM    191  O   HIS A  13       8.451  18.783 -15.440  1.00  1.350          O  
ATOM    192  CB  HIS A  13       9.371  16.424 -17.330  1.00  2.090          C  
ATOM    193  CG  HIS A  13      10.350  15.988 -18.329  1.00  2.090          C  
ATOM    194  ND1 HIS A  13      11.129  14.860 -18.143  1.00  2.090          N  
ATOM    195  CD2 HIS A  13      10.703  16.499 -19.529  1.00  2.090          C  
ATOM    196  CE1 HIS A  13      11.917  14.699 -19.193  1.00  2.090          C  
ATOM    197  NE2 HIS A  13      11.678  15.679 -20.048  1.00  2.090          N  
ATOM    198  H   HIS A  13      11.039  15.274 -15.937  1.00  1.820          H  
ATOM    199  HA  HIS A  13      10.620  17.975 -16.556  1.00  1.780          H  
ATOM    200 1HB  HIS A  13       8.830  15.552 -16.962  1.00  2.510          H  
ATOM    201 2HB  HIS A  13       8.651  17.087 -17.807  1.00  2.510          H  
ATOM    202  HD2 HIS A  13      10.291  17.393 -19.999  1.00  2.510          H  
ATOM    203  HE1 HIS A  13      12.640  13.895 -19.330  1.00  2.510          H  
ATOM    204  HE2 HIS A  13      12.136  15.809 -20.942  1.00  2.510          H  
ATOM    205  N   LEU A  14       8.589  16.884 -14.235  1.00  1.050          N  
ATOM    206  CA  LEU A  14       7.581  17.267 -13.268  1.00  0.920          C  
ATOM    207  C   LEU A  14       8.226  17.522 -11.919  1.00  0.760          C  
ATOM    208  O   LEU A  14       8.010  18.584 -11.326  1.00  0.820          O  
ATOM    209  CB  LEU A  14       6.512  16.173 -13.126  1.00  1.340          C  
ATOM    210  CG  LEU A  14       5.250  16.225 -14.076  1.00  1.340          C  
ATOM    211  CD1 LEU A  14       4.379  17.450 -13.726  1.00  1.340          C  
ATOM    212  CD2 LEU A  14       5.680  16.272 -15.540  1.00  1.340          C  
ATOM    213  H   LEU A  14       9.071  15.995 -14.109  1.00  1.260          H  
ATOM    214  HA  LEU A  14       7.124  18.195 -13.593  1.00  1.100          H  
ATOM    215 1HB  LEU A  14       7.001  15.208 -13.282  1.00  1.610          H  
ATOM    216 2HB  LEU A  14       6.150  16.188 -12.098  1.00  1.610          H  
ATOM    217  HG  LEU A  14       4.658  15.324 -13.918  1.00  1.610          H  
ATOM    218 1HD1 LEU A  14       3.499  17.459 -14.368  1.00  1.610          H  
ATOM    219 2HD1 LEU A  14       4.065  17.402 -12.691  1.00  1.610          H  
ATOM    220 3HD1 LEU A  14       4.932  18.370 -13.881  1.00  1.610          H  
ATOM    221 1HD2 LEU A  14       4.796  16.283 -16.176  1.00  1.610          H  
ATOM    222 2HD2 LEU A  14       6.258  17.168 -15.731  1.00  1.610          H  
ATOM    223 3HD2 LEU A  14       6.282  15.392 -15.773  1.00  1.610          H  
ATOM    224  N   ALA A  15       9.134  16.626 -11.505  1.00  0.840          N  
ATOM    225  CA  ALA A  15       9.790  16.639 -10.197  1.00  0.920          C  
ATOM    226  C   ALA A  15      10.495  17.960  -9.946  1.00  0.870          C  
ATOM    227  O   ALA A  15      10.515  18.459  -8.822  1.00  1.000          O  
ATOM    228  CB  ALA A  15      10.779  15.498 -10.072  1.00  1.260          C  
ATOM    229  H   ALA A  15       9.306  15.813 -12.092  1.00  1.010          H  
ATOM    230  HA  ALA A  15       9.023  16.500  -9.441  1.00  1.100          H  
ATOM    231 1HB  ALA A  15      11.226  15.501  -9.085  1.00  1.510          H  
ATOM    232 2HB  ALA A  15      10.254  14.564 -10.227  1.00  1.510          H  
ATOM    233 3HB  ALA A  15      11.548  15.601 -10.814  1.00  1.510          H  
ATOM    234  N   ARG A  16      10.973  18.631 -10.989  1.00  0.870          N  
ATOM    235  CA  ARG A  16      11.628  19.916 -10.775  1.00  0.970          C  
ATOM    236  C   ARG A  16      10.717  20.907 -10.005  1.00  0.990          C  
ATOM    237  O   ARG A  16      11.216  21.859  -9.400  1.00  1.190          O  
ATOM    238  CB  ARG A  16      12.053  20.485 -12.118  1.00  1.320          C  
ATOM    239  CG  ARG A  16      10.903  20.826 -13.070  1.00  1.320          C  
ATOM    240  CD  ARG A  16      11.399  21.244 -14.403  1.00  1.320          C  
ATOM    241  NE  ARG A  16      12.070  20.142 -15.117  1.00  1.320          N  
ATOM    242  CZ  ARG A  16      12.729  20.275 -16.299  1.00  1.320          C  
ATOM    243  NH1 ARG A  16      12.788  21.455 -16.895  1.00  1.320          N  
ATOM    244  NH2 ARG A  16      13.320  19.231 -16.865  1.00  1.320          N  
ATOM    245  H   ARG A  16      10.964  18.217 -11.926  1.00  1.040          H  
ATOM    246  HA  ARG A  16      12.526  19.743 -10.182  1.00  1.160          H  
ATOM    247 1HB  ARG A  16      12.631  21.392 -11.961  1.00  1.580          H  
ATOM    248 2HB  ARG A  16      12.698  19.766 -12.621  1.00  1.580          H  
ATOM    249 1HG  ARG A  16      10.257  19.954 -13.204  1.00  1.580          H  
ATOM    250 2HG  ARG A  16      10.323  21.647 -12.661  1.00  1.580          H  
ATOM    251 1HD  ARG A  16      10.550  21.572 -15.004  1.00  1.580          H  
ATOM    252 2HD  ARG A  16      12.105  22.060 -14.281  1.00  1.580          H  
ATOM    253  HE  ARG A  16      12.037  19.203 -14.680  1.00  1.580          H  
ATOM    254 1HH1 ARG A  16      12.343  22.257 -16.478  1.00  1.580          H  
ATOM    255 2HH1 ARG A  16      13.279  21.556 -17.773  1.00  1.580          H  
ATOM    256 1HH2 ARG A  16      13.301  18.322 -16.425  1.00  1.580          H  
ATOM    257 2HH2 ARG A  16      13.806  19.344 -17.743  1.00  1.580          H  
ATOM    258  N   THR A  17       9.394  20.683 -10.041  1.00  0.940          N  
ATOM    259  CA  THR A  17       8.404  21.477  -9.320  1.00  1.140          C  
ATOM    260  C   THR A  17       7.653  20.574  -8.311  1.00  1.130          C  
ATOM    261  O   THR A  17       7.208  21.038  -7.260  1.00  1.420          O  
ATOM    262  CB  THR A  17       7.394  22.153 -10.282  1.00  1.520          C  
ATOM    263  OG1 THR A  17       8.092  23.035 -11.172  1.00  1.520          O  
ATOM    264  CG2 THR A  17       6.355  22.964  -9.502  1.00  1.520          C  
ATOM    265  H   THR A  17       9.061  19.890 -10.579  1.00  1.130          H  
ATOM    266  HA  THR A  17       8.918  22.255  -8.759  1.00  1.370          H  
ATOM    267  HB  THR A  17       6.889  21.387 -10.870  1.00  1.820          H  
ATOM    268  HG1 THR A  17       8.633  22.516 -11.764  1.00  1.820          H  
ATOM    269 1HG2 THR A  17       5.667  23.430 -10.204  1.00  1.820          H  
ATOM    270 2HG2 THR A  17       5.792  22.320  -8.834  1.00  1.820          H  
ATOM    271 3HG2 THR A  17       6.860  23.734  -8.923  1.00  1.820          H  
ATOM    272  N   LEU A  18       7.522  19.277  -8.636  1.00  0.890          N  
ATOM    273  CA  LEU A  18       6.748  18.309  -7.847  1.00  0.950          C  
ATOM    274  C   LEU A  18       7.562  17.390  -6.918  1.00  0.930          C  
ATOM    275  O   LEU A  18       6.979  16.564  -6.207  1.00  0.950          O  
ATOM    276  CB  LEU A  18       5.979  17.375  -8.802  1.00  1.310          C  
ATOM    277  CG  LEU A  18       4.601  17.818  -9.405  1.00  1.310          C  
ATOM    278  CD1 LEU A  18       3.531  17.720  -8.351  1.00  1.310          C  
ATOM    279  CD2 LEU A  18       4.682  19.214  -9.969  1.00  1.310          C  
ATOM    280  H   LEU A  18       7.916  18.969  -9.520  1.00  1.070          H  
ATOM    281  HA  LEU A  18       6.050  18.870  -7.230  1.00  1.140          H  
ATOM    282 1HB  LEU A  18       6.623  17.139  -9.631  1.00  1.570          H  
ATOM    283 2HB  LEU A  18       5.793  16.450  -8.261  1.00  1.570          H  
ATOM    284  HG  LEU A  18       4.345  17.149 -10.202  1.00  1.570          H  
ATOM    285 1HD1 LEU A  18       2.570  17.993  -8.783  1.00  1.570          H  
ATOM    286 2HD1 LEU A  18       3.490  16.701  -8.002  1.00  1.570          H  
ATOM    287 3HD1 LEU A  18       3.755  18.381  -7.518  1.00  1.570          H  
ATOM    288 1HD2 LEU A  18       3.720  19.481 -10.401  1.00  1.570          H  
ATOM    289 2HD2 LEU A  18       4.924  19.923  -9.185  1.00  1.570          H  
ATOM    290 3HD2 LEU A  18       5.449  19.248 -10.746  1.00  1.570          H  
ATOM    291  N   ALA A  19       8.881  17.565  -6.839  1.00  1.050          N  
ATOM    292  CA  ALA A  19       9.722  16.681  -6.029  1.00  1.190          C  
ATOM    293  C   ALA A  19       9.297  16.648  -4.573  1.00  1.180          C  
ATOM    294  O   ALA A  19       9.411  15.603  -3.932  1.00  1.180          O  
ATOM    295  CB  ALA A  19      11.175  17.100  -6.101  1.00  1.610          C  
ATOM    296  H   ALA A  19       9.320  18.269  -7.430  1.00  1.260          H  
ATOM    297  HA  ALA A  19       9.627  15.672  -6.433  1.00  1.430          H  
ATOM    298 1HB  ALA A  19      11.777  16.409  -5.512  1.00  1.930          H  
ATOM    299 2HB  ALA A  19      11.518  17.083  -7.123  1.00  1.930          H  
ATOM    300 3HB  ALA A  19      11.283  18.105  -5.699  1.00  1.930          H  
ATOM    301  N   ASP A  20       8.817  17.773  -4.037  1.00  1.280          N  
ATOM    302  CA  ASP A  20       8.395  17.819  -2.645  1.00  1.360          C  
ATOM    303  C   ASP A  20       7.257  16.842  -2.382  1.00  1.050          C  
ATOM    304  O   ASP A  20       7.165  16.279  -1.284  1.00  1.090          O  
ATOM    305  CB  ASP A  20       7.938  19.223  -2.258  1.00  1.870          C  
ATOM    306  CG  ASP A  20       9.071  20.240  -2.148  1.00  1.870          C  
ATOM    307  OD1 ASP A  20      10.217  19.860  -2.113  1.00  1.870          O  
ATOM    308  OD2 ASP A  20       8.764  21.401  -2.101  1.00  1.870          O  
ATOM    309  H   ASP A  20       8.774  18.616  -4.597  1.00  1.540          H  
ATOM    310  HA  ASP A  20       9.241  17.540  -2.018  1.00  1.630          H  
ATOM    311 1HB  ASP A  20       7.222  19.582  -2.998  1.00  2.250          H  
ATOM    312 2HB  ASP A  20       7.418  19.179  -1.302  1.00  2.250          H  
ATOM    313  N   LEU A  21       6.371  16.652  -3.377  1.00  0.900          N  
ATOM    314  CA  LEU A  21       5.241  15.748  -3.233  1.00  0.940          C  
ATOM    315  C   LEU A  21       5.733  14.336  -3.228  1.00  0.910          C  
ATOM    316  O   LEU A  21       5.335  13.528  -2.391  1.00  1.190          O  
ATOM    317  CB  LEU A  21       4.245  15.914  -4.395  1.00  1.300          C  
ATOM    318  CG  LEU A  21       2.996  14.964  -4.425  1.00  1.300          C  
ATOM    319  CD1 LEU A  21       2.144  15.138  -3.173  1.00  1.300          C  
ATOM    320  CD2 LEU A  21       2.198  15.271  -5.698  1.00  1.300          C  
ATOM    321  H   LEU A  21       6.498  17.102  -4.283  1.00  1.080          H  
ATOM    322  HA  LEU A  21       4.752  15.957  -2.282  1.00  1.130          H  
ATOM    323 1HB  LEU A  21       3.883  16.939  -4.389  1.00  1.560          H  
ATOM    324 2HB  LEU A  21       4.783  15.758  -5.329  1.00  1.560          H  
ATOM    325  HG  LEU A  21       3.324  13.926  -4.452  1.00  1.560          H  
ATOM    326 1HD1 LEU A  21       1.288  14.465  -3.224  1.00  1.560          H  
ATOM    327 2HD1 LEU A  21       2.724  14.896  -2.284  1.00  1.560          H  
ATOM    328 3HD1 LEU A  21       1.793  16.167  -3.109  1.00  1.560          H  
ATOM    329 1HD2 LEU A  21       1.334  14.633  -5.766  1.00  1.560          H  
ATOM    330 2HD2 LEU A  21       1.869  16.312  -5.685  1.00  1.560          H  
ATOM    331 3HD2 LEU A  21       2.835  15.099  -6.558  1.00  1.560          H  
ATOM    332  N   CYS A  22       6.613  14.039  -4.177  1.00  0.830          N  
ATOM    333  CA  CYS A  22       7.114  12.691  -4.312  1.00  1.100          C  
ATOM    334  C   CYS A  22       7.859  12.292  -3.046  1.00  1.170          C  
ATOM    335  O   CYS A  22       7.767  11.149  -2.575  1.00  1.590          O  
ATOM    336  CB  CYS A  22       8.045  12.617  -5.505  1.00  1.430          C  
ATOM    337  SG  CYS A  22       7.182  12.831  -7.054  1.00  1.430          S  
ATOM    338  H   CYS A  22       6.895  14.778  -4.831  1.00  1.000          H  
ATOM    339  HA  CYS A  22       6.271  12.028  -4.471  1.00  1.320          H  
ATOM    340 1HB  CYS A  22       8.800  13.395  -5.425  1.00  1.720          H  
ATOM    341 2HB  CYS A  22       8.556  11.654  -5.521  1.00  1.720          H  
ATOM    342  HG  CYS A  22       6.524  11.665  -7.038  1.00  1.720          H  
ATOM    343  N   TRP A  23       8.601  13.248  -2.479  1.00  1.020          N  
ATOM    344  CA  TRP A  23       9.331  12.997  -1.258  1.00  1.200          C  
ATOM    345  C   TRP A  23       8.407  12.710  -0.082  1.00  1.400          C  
ATOM    346  O   TRP A  23       8.528  11.658   0.551  1.00  1.700          O  
ATOM    347  CB  TRP A  23      10.235  14.189  -0.940  1.00  1.610          C  
ATOM    348  CG  TRP A  23      10.904  14.089   0.378  1.00  1.610          C  
ATOM    349  CD1 TRP A  23      12.044  13.414   0.676  1.00  1.610          C  
ATOM    350  CD2 TRP A  23      10.470  14.713   1.611  1.00  1.610          C  
ATOM    351  NE1 TRP A  23      12.342  13.558   2.006  1.00  1.610          N  
ATOM    352  CE2 TRP A  23      11.384  14.349   2.593  1.00  1.610          C  
ATOM    353  CE3 TRP A  23       9.386  15.540   1.951  1.00  1.610          C  
ATOM    354  CZ2 TRP A  23      11.253  14.771   3.903  1.00  1.610          C  
ATOM    355  CZ3 TRP A  23       9.254  15.960   3.259  1.00  1.610          C  
ATOM    356  CH2 TRP A  23      10.163  15.585   4.212  1.00  1.610          C  
ATOM    357  H   TRP A  23       8.678  14.163  -2.932  1.00  1.220          H  
ATOM    358  HA  TRP A  23       9.961  12.124  -1.416  1.00  1.440          H  
ATOM    359 1HB  TRP A  23      10.997  14.280  -1.712  1.00  1.930          H  
ATOM    360 2HB  TRP A  23       9.647  15.104  -0.963  1.00  1.930          H  
ATOM    361  HD1 TRP A  23      12.630  12.837  -0.037  1.00  1.930          H  
ATOM    362  HE1 TRP A  23      13.135  13.149   2.480  1.00  1.930          H  
ATOM    363  HE3 TRP A  23       8.660  15.846   1.199  1.00  1.930          H  
ATOM    364  HZ2 TRP A  23      11.968  14.487   4.676  1.00  1.930          H  
ATOM    365  HZ3 TRP A  23       8.407  16.597   3.510  1.00  1.930          H  
ATOM    366  HH2 TRP A  23      10.032  15.934   5.236  1.00  1.930          H  
ATOM    367  N   GLU A  24       7.438  13.599   0.187  1.00  1.600          N  
ATOM    368  CA  GLU A  24       6.551  13.402   1.331  1.00  2.210          C  
ATOM    369  C   GLU A  24       5.787  12.099   1.208  1.00  2.340          C  
ATOM    370  O   GLU A  24       5.568  11.384   2.187  1.00  2.700          O  
ATOM    371  CB  GLU A  24       5.563  14.560   1.481  1.00  2.850          C  
ATOM    372  CG  GLU A  24       4.658  14.445   2.725  1.00  2.850          C  
ATOM    373  CD  GLU A  24       3.740  15.616   2.916  1.00  2.850          C  
ATOM    374  OE1 GLU A  24       3.765  16.507   2.106  1.00  2.850          O  
ATOM    375  OE2 GLU A  24       3.010  15.618   3.877  1.00  2.850          O  
ATOM    376  H   GLU A  24       7.344  14.448  -0.381  1.00  1.920          H  
ATOM    377  HA  GLU A  24       7.163  13.353   2.231  1.00  2.650          H  
ATOM    378 1HB  GLU A  24       6.112  15.499   1.543  1.00  3.420          H  
ATOM    379 2HB  GLU A  24       4.928  14.611   0.593  1.00  3.420          H  
ATOM    380 1HG  GLU A  24       4.050  13.546   2.641  1.00  3.420          H  
ATOM    381 2HG  GLU A  24       5.291  14.337   3.606  1.00  3.420          H  
ATOM    382  N   ALA A  25       5.374  11.807  -0.019  1.00  2.140          N  
ATOM    383  CA  ALA A  25       4.609  10.644  -0.392  1.00  2.350          C  
ATOM    384  C   ALA A  25       5.358   9.324  -0.234  1.00  2.530          C  
ATOM    385  O   ALA A  25       4.731   8.270  -0.238  1.00  3.090          O  
ATOM    386  CB  ALA A  25       4.169  10.805  -1.821  1.00  3.210          C  
ATOM    387  H   ALA A  25       5.583  12.467  -0.773  1.00  2.570          H  
ATOM    388  HA  ALA A  25       3.733  10.606   0.252  1.00  2.820          H  
ATOM    389 1HB  ALA A  25       3.561   9.983  -2.116  1.00  3.850          H  
ATOM    390 2HB  ALA A  25       3.602  11.727  -1.911  1.00  3.850          H  
ATOM    391 3HB  ALA A  25       5.040  10.854  -2.453  1.00  3.850          H  
ATOM    392  N   GLY A  26       6.686   9.337  -0.159  1.00  2.490          N  
ATOM    393  CA  GLY A  26       7.392   8.074  -0.093  1.00  2.780          C  
ATOM    394  C   GLY A  26       7.459   7.322  -1.432  1.00  2.600          C  
ATOM    395  O   GLY A  26       7.486   6.091  -1.439  1.00  2.720          O  
ATOM    396  H   GLY A  26       7.209  10.214  -0.065  1.00  2.990          H  
ATOM    397 1HA  GLY A  26       8.405   8.265   0.260  1.00  3.340          H  
ATOM    398 2HA  GLY A  26       6.918   7.442   0.654  1.00  3.340          H  
ATOM    399  N   VAL A  27       7.472   8.039  -2.564  1.00  2.840          N  
ATOM    400  CA  VAL A  27       7.510   7.375  -3.879  1.00  3.090          C  
ATOM    401  C   VAL A  27       8.835   7.705  -4.578  1.00  3.530          C  
ATOM    402  O   VAL A  27       9.607   8.501  -4.043  1.00  4.290          O  
ATOM    403  CB  VAL A  27       6.300   7.780  -4.758  1.00  4.230          C  
ATOM    404  CG1 VAL A  27       4.965   7.369  -4.086  1.00  4.230          C  
ATOM    405  CG2 VAL A  27       6.320   9.250  -4.996  1.00  4.230          C  
ATOM    406  H   VAL A  27       7.487   9.065  -2.506  1.00  3.410          H  
ATOM    407  HA  VAL A  27       7.466   6.296  -3.731  1.00  3.710          H  
ATOM    408  HB  VAL A  27       6.364   7.260  -5.697  1.00  5.070          H  
ATOM    409 1HG1 VAL A  27       4.129   7.648  -4.727  1.00  5.070          H  
ATOM    410 2HG1 VAL A  27       4.960   6.299  -3.932  1.00  5.070          H  
ATOM    411 3HG1 VAL A  27       4.870   7.874  -3.125  1.00  5.070          H  
ATOM    412 1HG2 VAL A  27       5.499   9.529  -5.621  1.00  5.070          H  
ATOM    413 2HG2 VAL A  27       6.239   9.745  -4.050  1.00  5.070          H  
ATOM    414 3HG2 VAL A  27       7.241   9.539  -5.472  1.00  5.070          H  
ATOM    415  N   ASP A  28       9.111   7.053  -5.728  1.00  3.530          N  
ATOM    416  CA  ASP A  28      10.353   7.187  -6.529  1.00  4.290          C  
ATOM    417  C   ASP A  28      11.211   5.930  -6.334  1.00  4.440          C  
ATOM    418  O   ASP A  28      11.533   5.238  -7.303  1.00  5.150          O  
ATOM    419  OXT ASP A  28      11.361   5.469  -5.201  1.00  6.440          O  
ATOM    420  CB  ASP A  28      11.202   8.440  -6.174  1.00  5.340          C  
ATOM    421  CG  ASP A  28      12.313   8.787  -7.231  1.00  5.340          C  
ATOM    422  OD1 ASP A  28      12.181   8.376  -8.367  1.00  5.340          O  
ATOM    423  OD2 ASP A  28      13.265   9.473  -6.880  1.00  5.340          O  
ATOM    424  H   ASP A  28       8.390   6.439  -6.127  1.00  4.240          H  
ATOM    425  HA  ASP A  28      10.090   7.243  -7.584  1.00  5.150          H  
ATOM    426 1HB  ASP A  28      10.571   9.316  -6.063  1.00  6.400          H  
ATOM    427 2HB  ASP A  28      11.707   8.272  -5.219  1.00  6.400          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 -130.15 16.2928 95.1679 -9.79654 2.37966 6.76857 49.5604 -54.0855 -0.1424 -0.99803 -39.6315 -6.09351 -21.3998 -1.48711 -1.67951 0 0 -0.71443 1.31399 11.6524 28.4886 -4.12021 4.61795 7.53494 -3.69941 14.048 -36.1724
GLN:NtermProteinFull_1 -1.5576 0.1542 1.06349 -0.33931 0.08335 0.17161 0.00248 -0.42682 -0.01897 -0.1169 -0.50292 0.83599 0 0 0 0 0 0.03788 0.13881 0 3.58891 0 0 -0.18838 0 0.06964 2.99545
GLN_2 -4.9962 0.75464 3.41476 -0.47326 0.17736 0.4173 0.97482 -1.56832 -0.01897 -0.1169 -1.56486 -0.78257 0 0 0 0 0 0.04773 0.02801 0 3.54062 -0.08462 0 -0.18838 0.051 0.8272 0.43936
PRO_3 -4.00774 1.08769 2.30503 -0.18202 0.06881 0.12986 1.61831 -1.29448 -0 -0 -0.95143 0.02096 0 0 0 0 0 0.01648 0.00463 0.17899 0 -0.82246 0 -2.4119 0.36779 1.14601 -2.72545
GLN_4 -3.87433 0.65327 3.57815 -0.40656 0.07518 0.31705 1.85515 -1.79337 -0.00779 -0.02828 -2.30397 -0.28233 0 0 0 0 0 -0.26496 0.00838 0 3.09105 0.05346 0 -0.18838 0.61184 0.54832 1.64187
ALA_5 -2.48976 0.53384 1.93665 -0.02438 2e-05 0 1.12992 -1.26277 -0 -0 0.04878 -0.39162 0 0 0 0 0 -0.12049 0 0 0 -0.33426 0 1.8394 -0.00455 0.23932 1.10009
VAL_6 -6.88708 1.19854 2.11597 -0.30753 0.16475 0.06225 2.19575 -2.16701 -0 -0 -1.41921 -0.25582 0 0 0 0 0 0.04199 0.00719 0.11451 0 0.23061 0 1.9342 -0.31565 0.34966 -2.93688
HIS_7 -6.76905 0.76502 5.7684 -0.61128 0.00468 0.686 2.97953 -2.94159 -0.00949 -0.07885 -3.41984 -0.27409 0 0 -0.83976 0 0 -0.04923 0.00127 0 3.05753 -0.02593 0 -0.45461 -0.19908 0.70692 -1.70343
THR_8 -3.33078 0.40785 3.26275 -0.12343 0.12301 0.06626 1.54306 -1.70745 -0.01424 -0.1263 0.29059 -1.17025 0 0 0 0 0 -0.06574 0.03027 0.09518 0 0.06437 2.27311 -1.0874 -0.27976 0.68425 0.93535
TYR_9 -8.06944 0.95142 3.35622 -0.67982 0.0588 0.3928 2.18017 -2.21512 -0.00645 -0.09801 -0.82503 -0.21475 0 0 0 0 0 -0.04029 0.10675 0 2.01581 -0.27183 0.0336 1.2797 -0.37779 0.42532 -1.99794
CYS_10 -5.86883 0.62799 3.35039 -0.04559 0.00086 0.01993 1.14345 -1.70946 -0 -0 -0.91872 -0.29833 0 0 0 0 0 0.05177 0.00604 0.56009 0 0.29955 0 3.6196 -0.46294 0.39603 0.77183
GLY_11 -2.59411 0.16987 3.52422 -0.00025 0 0 1.8755 -1.79206 -0.0213 -0.15692 -2.3306 -0.2406 0 0 0 0 0 0.16681 0 0 0 0.47561 0 0.83697 -0.15461 0.46237 0.2209
ARG_12 -3.52095 0.34804 3.88115 -0.77392 0.10565 0.51099 2.13951 -1.94449 -0 -0 -1.05754 0.41666 0 0 0 0 0 -0.09768 0.00934 1.61852 0 -0.20026 0 -1.2888 -0.13835 0.48365 0.49153
HIS_13 -3.28417 0.23398 2.87412 -0.48398 0.00255 0.59069 0.47965 -1.51937 -0 -0 -0.38729 -1.66339 0 0 0 0 0 -0.0836 0.21024 0 3.30736 0.13936 0 -0.45461 -0.29633 0.42402 0.08922
LEU_14 -6.38782 0.75 4.99315 -0.65157 0.31203 0.1681 3.02615 -2.62558 -0.01661 -0.09791 -3.41826 0.35603 0 0 0 0 0 -0.00878 0.06797 2.64103 0 -0.19993 0 0.18072 0.1321 0.60532 -0.17385
ALA_15 -6.04572 0.92288 4.77603 -0.02308 0 0 3.08935 -3.25716 -0 -0 -2.05853 -0.37207 0 0 0 0 0 -0.02348 0 0 0 -0.36953 0 1.8394 -0.01238 0.70554 -0.82876
ARG_16 -4.63925 0.31305 5.30825 -0.74176 0.12417 0.5076 2.08661 -2.35989 -0.01181 -0.07806 -1.67145 0.78386 0 0 0 0 0 0.06833 0.11063 2.07623 0 -0.06453 0 -1.2888 -0.36232 0.46539 0.62625
THR_17 -2.95264 0.53028 2.84512 -0.2086 0.20894 0.07894 1.44035 -1.4994 -0 -0 -0.45118 -0.51514 0 0 0 0 0 -0.02782 0.02932 0.56336 0 -0.46803 2.31123 -1.0874 0.0231 0.34581 1.16623
LEU_18 -7.38708 0.67805 3.92931 -0.70498 0.33877 0.21521 2.77406 -2.47017 -7e-05 -0.001 -1.88812 0.2606 0 0 0 0 0 -0.02314 0.14368 2.72784 0 -0.11563 0 0.18072 -0.13347 0.70489 -0.77053
ALA_19 -3.96212 0.40567 4.03283 -0.02364 0 0 2.71061 -2.29773 -0.01661 -0.09791 -2.39827 -0.37825 0 0 0 0 0 -0.06446 0 0 0 -0.41081 0 1.8394 -0.55777 0.65157 -0.56751
ASP_20 -2.86962 0.17591 3.58515 -0.11313 0.01009 0.34684 1.32915 -1.73112 -0 -0 -1.00872 -0.38022 0 0 0 0 0 -0.05428 0.0006 0 1.70776 0.05997 0 -2.3716 -0.52667 0.20286 -1.63703
LEU_21 -5.7335 0.66092 3.52166 -0.68177 0.1764 0.25013 2.41123 -2.25223 -0 -0 -1.95725 0.10816 0 0 0 0 0 -0.0311 0.06072 0.76086 0 -0.19042 0 0.18072 -0.18433 0.28348 -2.6163
CYS_22 -7.73905 0.52098 4.90889 -0.04419 0 0.01646 2.49102 -2.78727 -0 -0 -1.75257 -0.42063 0 0 0 0 0 0.03774 0.02807 0.27717 0 0.26947 0 3.6196 0.10724 0.33524 -0.13184
TRP_23 -4.35644 0.43022 4.52501 -1.25658 0.07469 0.41474 1.85741 -2.32744 -7e-05 -0.001 -1.86863 -0.42063 0 0 0 0 0 0.0008 0.13537 0 1.76023 -0.32408 0 1.6906 0.28799 0.2794 0.90161
GLU_24 -3.20246 0.27468 3.2961 -0.34373 0.08183 0.41674 1.37838 -1.67017 -0 -0 -0.39113 -0.65882 0 0 0 0 0 -0.05481 0.00125 0 3.43764 -0.25263 0 -2.7348 -0.09502 0.26015 -0.25678
ALA_25 -4.60006 0.83786 2.20139 -0.0264 0.00101 0 1.60681 -1.88372 -0 -0 -1.18227 -0.3868 0 0 0 0 0 -0.01263 0 0 0 -0.07733 0 1.8394 -0.60879 0.5633 -1.72823
GLY_26 -2.18094 0.14499 2.62494 -4e-05 0 0 1.18593 -1.34144 -0 -0 -1.13475 -0.39251 0 0 0 0 0 -0.1825 0 0 0 -1.20372 0 0.83697 -0.57749 0.57445 -1.64613
VAL_27 -7.95329 1.0376 1.40097 -0.29629 0.1748 0.05405 1.38304 -2.09494 -0 -0 -1.59883 -0.00084 0 0 0 0 0 0.02103 0.00131 0.03864 0 -0.29662 0 1.9342 -0.13295 0.44265 -5.88547
ASP:CtermProteinFull_28 -2.88971 0.72333 2.78776 -0.22945 0.01191 0.93501 0.67303 -1.1449 -0 -0 -1.50945 0.62389 0 0 -0.83976 0 0 0 0.18415 0 2.98173 0 0 -2.3716 0.13977 0.86528 0.94097
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 701835 DOMAINID 692256 MODEL 5 BOMBYXIN-II
MODEL     5
REMARK    Rerank model04.pdb to model05.pdb score: 10.163
REMARK    CLUSTER 0004 t000_.out.valid.rescored.best_scoring.binary cluster_size: 6 cluster_threshold: 3.487858
REMARK    SCORE     lk_ball_wtd:          -4.219
REMARK    SCORE     cart_bonded:          15.146
REMARK    SCORE           omega:           0.228
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE          fa_rep:          16.043
REMARK    SCORE        hbond_sc:           0.000
REMARK    SCORE     hbond_sr_bb:         -14.658
REMARK    SCORE         fa_elec:         -36.431
REMARK    SCORE     description: cluster0004_0001
REMARK    SCORE dihedral_constraint:           0.000
REMARK    SCORE           score:         -97.625
REMARK    SCORE    fa_intra_rep:           0.242
REMARK    SCORE            time:           0.000
REMARK    SCORE          fa_sol:          79.672
REMARK    SCORE     hbond_lr_bb:          -1.155
REMARK    SCORE atom_pair_constraint:         -60.598
REMARK    SCORE     total_score:         -97.625
REMARK    SCORE     hbond_bb_sc:          -1.032
REMARK    SCORE         p_aa_pp:          -5.649
REMARK    SCORE             ref:          15.018
REMARK    SCORE angle_constraint:           0.000
REMARK    SCORE          fa_dun:          35.012
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     rama_prepro:          -0.625
REMARK    SCORE fa_intra_sol_xover4:           6.490
REMARK    SCORE coordinate_constraint:           0.000
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE          fa_atr:        -141.110
ATOM      1  N   GLN A   1      -0.457  -0.662  -0.927  1.00  4.530          N  
ATOM      2  CA  GLN A   1       0.956  -0.620  -0.559  1.00  3.580          C  
ATOM      3  C   GLN A   1       1.445   0.802  -0.351  1.00  2.840          C  
ATOM      4  O   GLN A   1       1.577   1.262   0.782  1.00  3.080          O  
ATOM      5  CB  GLN A   1       1.843  -1.305  -1.611  1.00  5.390          C  
ATOM      6  CG  GLN A   1       1.721  -2.824  -1.699  1.00  5.390          C  
ATOM      7  CD  GLN A   1       2.601  -3.375  -2.803  1.00  5.390          C  
ATOM      8  OE1 GLN A   1       2.872  -2.652  -3.763  1.00  5.390          O  
ATOM      9  NE2 GLN A   1       3.041  -4.619  -2.677  1.00  5.390          N  
ATOM     10 1H   GLN A   1      -0.703  -1.589  -1.241  1.00  5.440          H  
ATOM     11 2H   GLN A   1      -1.018  -0.421  -0.121  1.00  5.440          H  
ATOM     12 3H   GLN A   1      -0.638   0.003  -1.667  1.00  5.440          H  
ATOM     13  HA  GLN A   1       1.078  -1.151   0.385  1.00  4.300          H  
ATOM     14 1HB  GLN A   1       1.603  -0.912  -2.597  1.00  6.470          H  
ATOM     15 2HB  GLN A   1       2.890  -1.067  -1.413  1.00  6.470          H  
ATOM     16 1HG  GLN A   1       2.040  -3.265  -0.754  1.00  6.470          H  
ATOM     17 2HG  GLN A   1       0.691  -3.102  -1.916  1.00  6.470          H  
ATOM     18 1HE2 GLN A   1       3.625  -5.018  -3.387  1.00  6.470          H  
ATOM     19 2HE2 GLN A   1       2.791  -5.165  -1.876  1.00  6.470          H  
ATOM     20  N   GLN A   2       1.740   1.489  -1.447  1.00  2.390          N  
ATOM     21  CA  GLN A   2       2.277   2.834  -1.359  1.00  2.050          C  
ATOM     22  C   GLN A   2       1.204   3.917  -1.418  1.00  2.160          C  
ATOM     23  O   GLN A   2       0.151   3.696  -2.011  1.00  2.350          O  
ATOM     24  CB  GLN A   2       3.244   3.054  -2.507  1.00  3.010          C  
ATOM     25  CG  GLN A   2       4.427   2.148  -2.506  1.00  3.010          C  
ATOM     26  CD  GLN A   2       5.270   2.309  -1.278  1.00  3.010          C  
ATOM     27  OE1 GLN A   2       5.684   3.419  -0.940  1.00  3.010          O  
ATOM     28  NE2 GLN A   2       5.524   1.212  -0.589  1.00  3.010          N  
ATOM     29  H   GLN A   2       1.609   1.083  -2.363  1.00  2.870          H  
ATOM     30  HA  GLN A   2       2.812   2.896  -0.418  1.00  2.460          H  
ATOM     31 1HB  GLN A   2       2.720   2.887  -3.448  1.00  3.610          H  
ATOM     32 2HB  GLN A   2       3.554   4.056  -2.506  1.00  3.610          H  
ATOM     33 1HG  GLN A   2       4.100   1.113  -2.568  1.00  3.610          H  
ATOM     34 2HG  GLN A   2       5.036   2.405  -3.366  1.00  3.610          H  
ATOM     35 1HE2 GLN A   2       6.081   1.257   0.242  1.00  3.610          H  
ATOM     36 2HE2 GLN A   2       5.165   0.331  -0.899  1.00  3.610          H  
ATOM     37  N   PRO A   3       1.440   5.090  -0.796  1.00  2.540          N  
ATOM     38  CA  PRO A   3       0.606   6.278  -0.860  1.00  2.970          C  
ATOM     39  C   PRO A   3       0.758   6.937  -2.217  1.00  2.470          C  
ATOM     40  O   PRO A   3       1.836   6.810  -2.822  1.00  1.990          O  
ATOM     41  CB  PRO A   3       1.172   7.150   0.268  1.00  4.460          C  
ATOM     42  CG  PRO A   3       2.629   6.734   0.381  1.00  4.460          C  
ATOM     43  CD  PRO A   3       2.641   5.252   0.076  1.00  4.460          C  
ATOM     44  HA  PRO A   3      -0.443   6.005  -0.672  1.00  3.560          H  
ATOM     45 1HB  PRO A   3       1.050   8.212   0.018  1.00  5.350          H  
ATOM     46 2HB  PRO A   3       0.603   6.975   1.194  1.00  5.350          H  
ATOM     47 1HG  PRO A   3       3.247   7.305  -0.333  1.00  5.350          H  
ATOM     48 2HG  PRO A   3       3.016   6.963   1.387  1.00  5.350          H  
ATOM     49 1HD  PRO A   3       3.573   5.031  -0.456  1.00  5.350          H  
ATOM     50 2HD  PRO A   3       2.535   4.665   1.004  1.00  5.350          H  
ATOM     51  N   GLN A   4      -0.259   7.720  -2.618  1.00  2.780          N  
ATOM     52  CA  GLN A   4      -0.305   8.482  -3.878  1.00  2.660          C  
ATOM     53  C   GLN A   4       0.986   9.225  -4.201  1.00  2.840          C  
ATOM     54  O   GLN A   4       1.406   9.291  -5.356  1.00  3.130          O  
ATOM     55  CB  GLN A   4      -1.467   9.481  -3.858  1.00  3.770          C  
ATOM     56  CG  GLN A   4      -2.865   8.840  -3.881  1.00  3.770          C  
ATOM     57  CD  GLN A   4      -3.392   8.466  -2.497  1.00  3.770          C  
ATOM     58  OE1 GLN A   4      -2.612   8.304  -1.544  1.00  3.770          O  
ATOM     59  NE2 GLN A   4      -4.704   8.328  -2.379  1.00  3.770          N  
ATOM     60  H   GLN A   4      -1.082   7.765  -2.013  1.00  3.340          H  
ATOM     61  HA  GLN A   4      -0.510   7.794  -4.683  1.00  3.190          H  
ATOM     62 1HB  GLN A   4      -1.393  10.108  -2.970  1.00  4.530          H  
ATOM     63 2HB  GLN A   4      -1.388  10.138  -4.727  1.00  4.530          H  
ATOM     64 1HG  GLN A   4      -3.564   9.548  -4.326  1.00  4.530          H  
ATOM     65 2HG  GLN A   4      -2.825   7.933  -4.485  1.00  4.530          H  
ATOM     66 1HE2 GLN A   4      -5.106   8.084  -1.494  1.00  4.530          H  
ATOM     67 2HE2 GLN A   4      -5.299   8.466  -3.173  1.00  4.530          H  
ATOM     68  N   ALA A   5       1.688   9.660  -3.159  1.00  2.940          N  
ATOM     69  CA  ALA A   5       2.915  10.431  -3.276  1.00  3.210          C  
ATOM     70  C   ALA A   5       3.975   9.734  -4.117  1.00  2.730          C  
ATOM     71  O   ALA A   5       4.810  10.414  -4.716  1.00  3.170          O  
ATOM     72  CB  ALA A   5       3.489  10.676  -1.895  1.00  4.390          C  
ATOM     73  H   ALA A   5       1.293   9.512  -2.244  1.00  3.530          H  
ATOM     74  HA  ALA A   5       2.674  11.381  -3.753  1.00  3.850          H  
ATOM     75 1HB  ALA A   5       4.393  11.276  -1.981  1.00  5.260          H  
ATOM     76 2HB  ALA A   5       2.757  11.202  -1.286  1.00  5.260          H  
ATOM     77 3HB  ALA A   5       3.728   9.719  -1.433  1.00  5.260          H  
ATOM     78  N   VAL A   6       4.007   8.400  -4.109  1.00  2.110          N  
ATOM     79  CA  VAL A   6       4.997   7.709  -4.911  1.00  2.040          C  
ATOM     80  C   VAL A   6       4.242   6.758  -5.841  1.00  2.120          C  
ATOM     81  O   VAL A   6       4.696   6.413  -6.931  1.00  2.590          O  
ATOM     82  CB  VAL A   6       6.006   6.953  -4.011  1.00  2.880          C  
ATOM     83  CG1 VAL A   6       6.715   7.937  -3.098  1.00  2.880          C  
ATOM     84  CG2 VAL A   6       5.336   5.881  -3.221  1.00  2.880          C  
ATOM     85  H   VAL A   6       3.293   7.869  -3.607  1.00  2.530          H  
ATOM     86  HA  VAL A   6       5.550   8.432  -5.512  1.00  2.450          H  
ATOM     87  HB  VAL A   6       6.756   6.517  -4.631  1.00  3.460          H  
ATOM     88 1HG1 VAL A   6       7.454   7.408  -2.496  1.00  3.460          H  
ATOM     89 2HG1 VAL A   6       7.212   8.694  -3.692  1.00  3.460          H  
ATOM     90 3HG1 VAL A   6       5.994   8.416  -2.443  1.00  3.460          H  
ATOM     91 1HG2 VAL A   6       6.079   5.368  -2.612  1.00  3.460          H  
ATOM     92 2HG2 VAL A   6       4.574   6.313  -2.573  1.00  3.460          H  
ATOM     93 3HG2 VAL A   6       4.888   5.167  -3.894  1.00  3.460          H  
ATOM     94  N   HIS A   7       3.039   6.366  -5.417  1.00  2.250          N  
ATOM     95  CA  HIS A   7       2.194   5.411  -6.137  1.00  2.350          C  
ATOM     96  C   HIS A   7       1.833   5.876  -7.544  1.00  1.500          C  
ATOM     97  O   HIS A   7       1.865   5.098  -8.502  1.00  2.050          O  
ATOM     98  CB  HIS A   7       0.928   5.090  -5.344  1.00  3.250          C  
ATOM     99  CG  HIS A   7      -0.007   4.157  -6.009  1.00  3.250          C  
ATOM    100  ND1 HIS A   7       0.241   2.804  -6.144  1.00  3.250          N  
ATOM    101  CD2 HIS A   7      -1.206   4.382  -6.590  1.00  3.250          C  
ATOM    102  CE1 HIS A   7      -0.771   2.239  -6.779  1.00  3.250          C  
ATOM    103  NE2 HIS A   7      -1.661   3.174  -7.061  1.00  3.250          N  
ATOM    104  H   HIS A   7       2.697   6.706  -4.516  1.00  2.700          H  
ATOM    105  HA  HIS A   7       2.732   4.473  -6.239  1.00  2.820          H  
ATOM    106 1HB  HIS A   7       1.200   4.673  -4.378  1.00  3.900          H  
ATOM    107 2HB  HIS A   7       0.408   5.976  -5.162  1.00  3.900          H  
ATOM    108  HD2 HIS A   7      -1.713   5.345  -6.669  1.00  3.900          H  
ATOM    109  HE1 HIS A   7      -0.855   1.182  -7.030  1.00  3.900          H  
ATOM    110  HE2 HIS A   7      -2.535   3.028  -7.545  1.00  3.900          H  
ATOM    111  N   THR A   8       1.492   7.155  -7.717  1.00  1.250          N  
ATOM    112  CA  THR A   8       1.030   7.596  -9.026  1.00  1.600          C  
ATOM    113  C   THR A   8       2.185   7.880  -9.984  1.00  1.050          C  
ATOM    114  O   THR A   8       1.976   8.389 -11.087  1.00  1.120          O  
ATOM    115  CB  THR A   8       0.119   8.833  -8.915  1.00  2.100          C  
ATOM    116  OG1 THR A   8       0.846   9.923  -8.365  1.00  2.100          O  
ATOM    117  CG2 THR A   8      -1.049   8.499  -7.984  1.00  2.100          C  
ATOM    118  H   THR A   8       1.489   7.831  -6.942  1.00  1.500          H  
ATOM    119  HA  THR A   8       0.434   6.794  -9.461  1.00  1.920          H  
ATOM    120  HB  THR A   8      -0.259   9.108  -9.898  1.00  2.520          H  
ATOM    121  HG1 THR A   8       1.445  10.266  -9.043  1.00  2.520          H  
ATOM    122 1HG2 THR A   8      -1.700   9.368  -7.892  1.00  2.520          H  
ATOM    123 2HG2 THR A   8      -1.612   7.663  -8.394  1.00  2.520          H  
ATOM    124 3HG2 THR A   8      -0.671   8.232  -7.007  1.00  2.520          H  
ATOM    125  N   TYR A   9       3.411   7.582  -9.550  1.00  1.300          N  
ATOM    126  CA  TYR A   9       4.599   7.726 -10.358  1.00  1.320          C  
ATOM    127  C   TYR A   9       5.174   6.325 -10.648  1.00  1.170          C  
ATOM    128  O   TYR A   9       6.270   6.199 -11.198  1.00  0.920          O  
ATOM    129  CB  TYR A   9       5.615   8.558  -9.586  1.00  1.840          C  
ATOM    130  CG  TYR A   9       5.145   9.931  -9.212  1.00  1.840          C  
ATOM    131  CD1 TYR A   9       5.369  11.009 -10.037  1.00  1.840          C  
ATOM    132  CD2 TYR A   9       4.481  10.109  -8.017  1.00  1.840          C  
ATOM    133  CE1 TYR A   9       4.948  12.264  -9.669  1.00  1.840          C  
ATOM    134  CE2 TYR A   9       4.059  11.355  -7.643  1.00  1.840          C  
ATOM    135  CZ  TYR A   9       4.293  12.434  -8.459  1.00  1.840          C  
ATOM    136  OH  TYR A   9       3.881  13.684  -8.062  1.00  1.840          O  
ATOM    137  H   TYR A   9       3.548   7.206  -8.610  1.00  1.560          H  
ATOM    138  HA  TYR A   9       4.346   8.204 -11.303  1.00  1.580          H  
ATOM    139 1HB  TYR A   9       5.860   8.040  -8.672  1.00  2.210          H  
ATOM    140 2HB  TYR A   9       6.530   8.658 -10.169  1.00  2.210          H  
ATOM    141  HD1 TYR A   9       5.889  10.874 -10.953  1.00  2.210          H  
ATOM    142  HD2 TYR A   9       4.297   9.266  -7.362  1.00  2.210          H  
ATOM    143  HE1 TYR A   9       5.142  13.118 -10.319  1.00  2.210          H  
ATOM    144  HE2 TYR A   9       3.540  11.487  -6.692  1.00  2.210          H  
ATOM    145  HH  TYR A   9       4.184  14.340  -8.696  1.00  2.210          H  
ATOM    146  N   CYS A  10       4.455   5.271 -10.228  1.00  1.530          N  
ATOM    147  CA  CYS A  10       4.921   3.897 -10.401  1.00  1.470          C  
ATOM    148  C   CYS A  10       4.474   3.336 -11.750  1.00  1.360          C  
ATOM    149  O   CYS A  10       3.475   3.782 -12.317  1.00  1.480          O  
ATOM    150  CB  CYS A  10       4.429   3.025  -9.239  1.00  2.080          C  
ATOM    151  SG  CYS A  10       5.161   3.500  -7.592  1.00  2.080          S  
ATOM    152  H   CYS A  10       3.544   5.411  -9.782  1.00  1.840          H  
ATOM    153  HA  CYS A  10       6.009   3.897 -10.376  1.00  1.760          H  
ATOM    154 1HB  CYS A  10       3.345   3.111  -9.161  1.00  2.500          H  
ATOM    155 2HB  CYS A  10       4.654   1.974  -9.437  1.00  2.500          H  
ATOM    156  HG  CYS A  10       4.688   4.771  -7.582  1.00  2.500          H  
ATOM    157  N   GLY A  11       5.183   2.316 -12.229  1.00  1.340          N  
ATOM    158  CA  GLY A  11       4.966   1.678 -13.522  1.00  1.370          C  
ATOM    159  C   GLY A  11       6.259   1.910 -14.271  1.00  1.110          C  
ATOM    160  O   GLY A  11       6.697   3.049 -14.383  1.00  0.790          O  
ATOM    161  H   GLY A  11       5.967   1.949 -11.692  1.00  1.610          H  
ATOM    162 1HA  GLY A  11       4.755   0.616 -13.431  1.00  1.640          H  
ATOM    163 2HA  GLY A  11       4.135   2.151 -14.040  1.00  1.640          H  
ATOM    164  N   ARG A  12       6.861   0.893 -14.874  1.00  1.280          N  
ATOM    165  CA  ARG A  12       8.163   1.128 -15.522  1.00  1.110          C  
ATOM    166  C   ARG A  12       8.135   2.267 -16.553  1.00  0.740          C  
ATOM    167  O   ARG A  12       9.071   3.076 -16.644  1.00  0.730          O  
ATOM    168  CB  ARG A  12       8.681  -0.125 -16.213  1.00  1.620          C  
ATOM    169  CG  ARG A  12       9.111  -1.234 -15.277  1.00  1.620          C  
ATOM    170  CD  ARG A  12       9.918  -2.295 -15.963  1.00  1.620          C  
ATOM    171  NE  ARG A  12       9.204  -2.942 -17.080  1.00  1.620          N  
ATOM    172  CZ  ARG A  12       8.323  -3.969 -16.973  1.00  1.620          C  
ATOM    173  NH1 ARG A  12       7.988  -4.448 -15.792  1.00  1.620          N  
ATOM    174  NH2 ARG A  12       7.786  -4.485 -18.073  1.00  1.620          N  
ATOM    175  H   ARG A  12       6.462  -0.057 -14.765  1.00  1.540          H  
ATOM    176  HA  ARG A  12       8.880   1.390 -14.741  1.00  1.330          H  
ATOM    177 1HB  ARG A  12       7.905  -0.525 -16.864  1.00  1.950          H  
ATOM    178 2HB  ARG A  12       9.532   0.124 -16.835  1.00  1.950          H  
ATOM    179 1HG  ARG A  12       9.715  -0.812 -14.475  1.00  1.950          H  
ATOM    180 2HG  ARG A  12       8.226  -1.700 -14.840  1.00  1.950          H  
ATOM    181 1HD  ARG A  12      10.824  -1.839 -16.364  1.00  1.950          H  
ATOM    182 2HD  ARG A  12      10.198  -3.060 -15.239  1.00  1.950          H  
ATOM    183  HE  ARG A  12       9.424  -2.620 -18.015  1.00  1.950          H  
ATOM    184 1HH1 ARG A  12       8.368  -4.046 -14.941  1.00  1.950          H  
ATOM    185 2HH1 ARG A  12       7.315  -5.197 -15.713  1.00  1.950          H  
ATOM    186 1HH2 ARG A  12       8.036  -4.117 -18.981  1.00  1.950          H  
ATOM    187 2HH2 ARG A  12       7.124  -5.244 -18.002  1.00  1.950          H  
ATOM    188  N   HIS A  13       7.027   2.402 -17.283  1.00  0.820          N  
ATOM    189  CA  HIS A  13       6.889   3.433 -18.307  1.00  0.970          C  
ATOM    190  C   HIS A  13       6.849   4.862 -17.741  1.00  0.940          C  
ATOM    191  O   HIS A  13       6.973   5.834 -18.490  1.00  1.320          O  
ATOM    192  CB  HIS A  13       5.643   3.118 -19.122  1.00  1.300          C  
ATOM    193  CG  HIS A  13       4.425   3.078 -18.290  1.00  1.300          C  
ATOM    194  ND1 HIS A  13       4.189   2.054 -17.388  1.00  1.300          N  
ATOM    195  CD2 HIS A  13       3.355   3.896 -18.221  1.00  1.300          C  
ATOM    196  CE1 HIS A  13       3.028   2.263 -16.789  1.00  1.300          C  
ATOM    197  NE2 HIS A  13       2.501   3.369 -17.278  1.00  1.300          N  
ATOM    198  H   HIS A  13       6.243   1.760 -17.152  1.00  0.980          H  
ATOM    199  HA  HIS A  13       7.741   3.383 -18.979  1.00  1.160          H  
ATOM    200 1HB  HIS A  13       5.508   3.876 -19.895  1.00  1.560          H  
ATOM    201 2HB  HIS A  13       5.758   2.155 -19.616  1.00  1.560          H  
ATOM    202  HD2 HIS A  13       3.199   4.806 -18.801  1.00  1.560          H  
ATOM    203  HE1 HIS A  13       2.582   1.626 -16.026  1.00  1.560          H  
ATOM    204  HE2 HIS A  13       1.612   3.770 -17.005  1.00  1.560          H  
ATOM    205  N   LEU A  14       6.678   4.989 -16.428  1.00  0.700          N  
ATOM    206  CA  LEU A  14       6.682   6.267 -15.738  1.00  0.740          C  
ATOM    207  C   LEU A  14       7.904   6.368 -14.835  1.00  0.610          C  
ATOM    208  O   LEU A  14       8.713   7.295 -14.964  1.00  0.920          O  
ATOM    209  CB  LEU A  14       5.416   6.405 -14.879  1.00  1.020          C  
ATOM    210  CG  LEU A  14       4.081   6.410 -15.612  1.00  1.020          C  
ATOM    211  CD1 LEU A  14       2.981   6.492 -14.592  1.00  1.020          C  
ATOM    212  CD2 LEU A  14       3.997   7.570 -16.600  1.00  1.020          C  
ATOM    213  H   LEU A  14       6.586   4.145 -15.869  1.00  0.840          H  
ATOM    214  HA  LEU A  14       6.747   7.070 -16.464  1.00  0.890          H  
ATOM    215 1HB  LEU A  14       5.387   5.545 -14.201  1.00  1.220          H  
ATOM    216 2HB  LEU A  14       5.473   7.277 -14.271  1.00  1.220          H  
ATOM    217  HG  LEU A  14       3.972   5.488 -16.133  1.00  1.220          H  
ATOM    218 1HD1 LEU A  14       2.016   6.465 -15.093  1.00  1.220          H  
ATOM    219 2HD1 LEU A  14       3.055   5.646 -13.909  1.00  1.220          H  
ATOM    220 3HD1 LEU A  14       3.067   7.420 -14.022  1.00  1.220          H  
ATOM    221 1HD2 LEU A  14       3.030   7.542 -17.102  1.00  1.220          H  
ATOM    222 2HD2 LEU A  14       4.102   8.515 -16.067  1.00  1.220          H  
ATOM    223 3HD2 LEU A  14       4.779   7.489 -17.351  1.00  1.220          H  
ATOM    224  N   ALA A  15       8.084   5.342 -14.004  1.00  0.570          N  
ATOM    225  CA  ALA A  15       9.085   5.232 -12.949  1.00  0.920          C  
ATOM    226  C   ALA A  15      10.501   5.401 -13.461  1.00  1.140          C  
ATOM    227  O   ALA A  15      11.336   5.981 -12.781  1.00  1.490          O  
ATOM    228  CB  ALA A  15       8.944   3.877 -12.267  1.00  1.150          C  
ATOM    229  H   ALA A  15       7.408   4.596 -14.048  1.00  0.680          H  
ATOM    230  HA  ALA A  15       8.891   6.021 -12.220  1.00  1.100          H  
ATOM    231 1HB  ALA A  15       9.653   3.787 -11.469  1.00  1.380          H  
ATOM    232 2HB  ALA A  15       7.936   3.777 -11.876  1.00  1.380          H  
ATOM    233 3HB  ALA A  15       9.129   3.090 -12.992  1.00  1.380          H  
ATOM    234  N   ARG A  16      10.784   4.973 -14.686  1.00  1.070          N  
ATOM    235  CA  ARG A  16      12.142   5.109 -15.193  1.00  1.410          C  
ATOM    236  C   ARG A  16      12.518   6.558 -15.548  1.00  1.370          C  
ATOM    237  O   ARG A  16      13.690   6.847 -15.798  1.00  1.630          O  
ATOM    238  CB  ARG A  16      12.345   4.208 -16.393  1.00  1.840          C  
ATOM    239  CG  ARG A  16      12.303   2.720 -16.065  1.00  1.840          C  
ATOM    240  CD  ARG A  16      12.394   1.880 -17.277  1.00  1.840          C  
ATOM    241  NE  ARG A  16      11.208   2.014 -18.138  1.00  1.840          N  
ATOM    242  CZ  ARG A  16      11.098   1.487 -19.383  1.00  1.840          C  
ATOM    243  NH1 ARG A  16      12.098   0.801 -19.904  1.00  1.840          N  
ATOM    244  NH2 ARG A  16       9.990   1.655 -20.087  1.00  1.840          N  
ATOM    245  H   ARG A  16      10.087   4.479 -15.254  1.00  1.280          H  
ATOM    246  HA  ARG A  16      12.816   4.765 -14.410  1.00  1.690          H  
ATOM    247 1HB  ARG A  16      11.566   4.411 -17.126  1.00  2.210          H  
ATOM    248 2HB  ARG A  16      13.303   4.424 -16.859  1.00  2.210          H  
ATOM    249 1HG  ARG A  16      13.133   2.472 -15.404  1.00  2.210          H  
ATOM    250 2HG  ARG A  16      11.366   2.487 -15.557  1.00  2.210          H  
ATOM    251 1HD  ARG A  16      13.271   2.178 -17.847  1.00  2.210          H  
ATOM    252 2HD  ARG A  16      12.483   0.837 -16.977  1.00  2.210          H  
ATOM    253  HE  ARG A  16      10.400   2.541 -17.756  1.00  2.210          H  
ATOM    254 1HH1 ARG A  16      12.950   0.666 -19.381  1.00  2.210          H  
ATOM    255 2HH1 ARG A  16      12.016   0.411 -20.833  1.00  2.210          H  
ATOM    256 1HH2 ARG A  16       9.221   2.181 -19.711  1.00  2.210          H  
ATOM    257 2HH2 ARG A  16       9.917   1.263 -21.014  1.00  2.210          H  
ATOM    258  N   THR A  17      11.526   7.464 -15.588  1.00  1.270          N  
ATOM    259  CA  THR A  17      11.733   8.891 -15.871  1.00  1.450          C  
ATOM    260  C   THR A  17      11.460   9.702 -14.605  1.00  1.350          C  
ATOM    261  O   THR A  17      12.077  10.740 -14.352  1.00  1.620          O  
ATOM    262  CB  THR A  17      10.814   9.385 -17.016  1.00  1.960          C  
ATOM    263  OG1 THR A  17      11.151   8.700 -18.229  1.00  1.960          O  
ATOM    264  CG2 THR A  17      10.958  10.894 -17.226  1.00  1.960          C  
ATOM    265  H   THR A  17      10.577   7.158 -15.381  1.00  1.520          H  
ATOM    266  HA  THR A  17      12.771   9.048 -16.163  1.00  1.740          H  
ATOM    267  HB  THR A  17       9.774   9.157 -16.763  1.00  2.350          H  
ATOM    268  HG1 THR A  17      10.908   7.777 -18.147  1.00  2.350          H  
ATOM    269 1HG2 THR A  17      10.302  11.205 -18.036  1.00  2.350          H  
ATOM    270 2HG2 THR A  17      10.680  11.433 -16.322  1.00  2.350          H  
ATOM    271 3HG2 THR A  17      11.990  11.127 -17.484  1.00  2.350          H  
ATOM    272  N   LEU A  18      10.555   9.179 -13.789  1.00  1.080          N  
ATOM    273  CA  LEU A  18      10.069   9.760 -12.548  1.00  1.190          C  
ATOM    274  C   LEU A  18      10.660   8.975 -11.381  1.00  0.890          C  
ATOM    275  O   LEU A  18      10.042   8.799 -10.332  1.00  0.960          O  
ATOM    276  CB  LEU A  18       8.530   9.728 -12.584  1.00  1.620          C  
ATOM    277  CG  LEU A  18       7.895  10.571 -13.753  1.00  1.620          C  
ATOM    278  CD1 LEU A  18       6.419  10.269 -13.878  1.00  1.620          C  
ATOM    279  CD2 LEU A  18       8.093  12.070 -13.472  1.00  1.620          C  
ATOM    280  H   LEU A  18      10.097   8.321 -14.096  1.00  1.300          H  
ATOM    281  HA  LEU A  18      10.421  10.782 -12.472  1.00  1.430          H  
ATOM    282 1HB  LEU A  18       8.206   8.690 -12.693  1.00  1.950          H  
ATOM    283 2HB  LEU A  18       8.148  10.112 -11.649  1.00  1.950          H  
ATOM    284  HG  LEU A  18       8.376  10.304 -14.695  1.00  1.950          H  
ATOM    285 1HD1 LEU A  18       5.999  10.848 -14.700  1.00  1.950          H  
ATOM    286 2HD1 LEU A  18       6.306   9.232 -14.085  1.00  1.950          H  
ATOM    287 3HD1 LEU A  18       5.896  10.508 -12.988  1.00  1.950          H  
ATOM    288 1HD2 LEU A  18       7.651  12.647 -14.284  1.00  1.950          H  
ATOM    289 2HD2 LEU A  18       7.602  12.332 -12.532  1.00  1.950          H  
ATOM    290 3HD2 LEU A  18       9.147  12.311 -13.406  1.00  1.950          H  
ATOM    291  N   ALA A  19      11.899   8.536 -11.585  1.00  0.700          N  
ATOM    292  CA  ALA A  19      12.687   7.712 -10.672  1.00  0.460          C  
ATOM    293  C   ALA A  19      12.869   8.344  -9.305  1.00  0.520          C  
ATOM    294  O   ALA A  19      12.929   7.647  -8.296  1.00  0.580          O  
ATOM    295  CB  ALA A  19      14.043   7.446 -11.287  1.00  0.740          C  
ATOM    296  H   ALA A  19      12.312   8.780 -12.477  1.00  0.840          H  
ATOM    297  HA  ALA A  19      12.173   6.765 -10.542  1.00  0.550          H  
ATOM    298 1HB  ALA A  19      14.617   6.810 -10.625  1.00  0.890          H  
ATOM    299 2HB  ALA A  19      13.906   6.952 -12.254  1.00  0.890          H  
ATOM    300 3HB  ALA A  19      14.568   8.388 -11.426  1.00  0.890          H  
ATOM    301  N   ASP A  20      12.948   9.671  -9.258  1.00  0.730          N  
ATOM    302  CA  ASP A  20      13.146  10.374  -8.002  1.00  0.860          C  
ATOM    303  C   ASP A  20      11.819  10.728  -7.329  1.00  1.070          C  
ATOM    304  O   ASP A  20      11.802  11.402  -6.296  1.00  1.200          O  
ATOM    305  CB  ASP A  20      13.932  11.654  -8.263  1.00  1.150          C  
ATOM    306  CG  ASP A  20      15.360  11.397  -8.750  1.00  1.150          C  
ATOM    307  OD1 ASP A  20      15.948  10.401  -8.396  1.00  1.150          O  
ATOM    308  OD2 ASP A  20      15.837  12.205  -9.504  1.00  1.150          O  
ATOM    309  H   ASP A  20      12.927  10.208 -10.113  1.00  0.880          H  
ATOM    310  HA  ASP A  20      13.714   9.731  -7.330  1.00  1.030          H  
ATOM    311 1HB  ASP A  20      13.409  12.252  -9.009  1.00  1.380          H  
ATOM    312 2HB  ASP A  20      13.977  12.243  -7.347  1.00  1.380          H  
ATOM    313  N   LEU A  21      10.704  10.328  -7.942  1.00  1.200          N  
ATOM    314  CA  LEU A  21       9.380  10.604  -7.407  1.00  1.530          C  
ATOM    315  C   LEU A  21       8.753   9.310  -6.895  1.00  1.600          C  
ATOM    316  O   LEU A  21       8.174   9.270  -5.817  1.00  1.860          O  
ATOM    317  CB  LEU A  21       8.455  11.162  -8.496  1.00  2.010          C  
ATOM    318  CG  LEU A  21       8.486  12.675  -8.871  1.00  2.010          C  
ATOM    319  CD1 LEU A  21       8.045  13.517  -7.680  1.00  2.010          C  
ATOM    320  CD2 LEU A  21       9.873  13.066  -9.365  1.00  2.010          C  
ATOM    321  H   LEU A  21      10.765   9.775  -8.794  1.00  1.440          H  
ATOM    322  HA  LEU A  21       9.466  11.292  -6.572  1.00  1.840          H  
ATOM    323 1HB  LEU A  21       8.603  10.594  -9.399  1.00  2.410          H  
ATOM    324 2HB  LEU A  21       7.460  10.967  -8.145  1.00  2.410          H  
ATOM    325  HG  LEU A  21       7.778  12.843  -9.675  1.00  2.410          H  
ATOM    326 1HD1 LEU A  21       8.037  14.567  -7.967  1.00  2.410          H  
ATOM    327 2HD1 LEU A  21       7.042  13.217  -7.375  1.00  2.410          H  
ATOM    328 3HD1 LEU A  21       8.728  13.385  -6.848  1.00  2.410          H  
ATOM    329 1HD2 LEU A  21       9.867  14.115  -9.656  1.00  2.410          H  
ATOM    330 2HD2 LEU A  21      10.601  12.927  -8.580  1.00  2.410          H  
ATOM    331 3HD2 LEU A  21      10.139  12.452 -10.228  1.00  2.410          H  
ATOM    332  N   CYS A  22       8.874   8.258  -7.700  1.00  1.430          N  
ATOM    333  CA  CYS A  22       8.297   6.944  -7.459  1.00  1.600          C  
ATOM    334  C   CYS A  22       9.038   6.138  -6.402  1.00  1.800          C  
ATOM    335  O   CYS A  22      10.089   6.532  -5.905  1.00  1.650          O  
ATOM    336  CB  CYS A  22       8.294   6.162  -8.755  1.00  2.170          C  
ATOM    337  SG  CYS A  22       9.882   5.679  -9.264  1.00  2.170          S  
ATOM    338  H   CYS A  22       9.379   8.384  -8.576  1.00  1.720          H  
ATOM    339  HA  CYS A  22       7.269   7.079  -7.129  1.00  1.920          H  
ATOM    340 1HB  CYS A  22       7.660   5.284  -8.680  1.00  2.610          H  
ATOM    341 2HB  CYS A  22       7.907   6.786  -9.532  1.00  2.610          H  
ATOM    342  HG  CYS A  22       9.477   4.767 -10.155  1.00  2.610          H  
ATOM    343  N   TRP A  23       8.466   4.990  -6.049  1.00  2.250          N  
ATOM    344  CA  TRP A  23       9.051   4.090  -5.061  1.00  2.550          C  
ATOM    345  C   TRP A  23      10.464   3.622  -5.504  1.00  2.520          C  
ATOM    346  O   TRP A  23      11.415   3.686  -4.722  1.00  3.010          O  
ATOM    347  CB  TRP A  23       8.047   2.950  -4.831  1.00  3.450          C  
ATOM    348  CG  TRP A  23       8.399   1.870  -3.850  1.00  3.450          C  
ATOM    349  CD1 TRP A  23       9.436   1.813  -2.971  1.00  3.450          C  
ATOM    350  CD2 TRP A  23       7.636   0.650  -3.645  1.00  3.450          C  
ATOM    351  NE1 TRP A  23       9.376   0.643  -2.248  1.00  3.450          N  
ATOM    352  CE2 TRP A  23       8.279  -0.073  -2.651  1.00  3.450          C  
ATOM    353  CE3 TRP A  23       6.467   0.124  -4.225  1.00  3.450          C  
ATOM    354  CZ2 TRP A  23       7.800  -1.299  -2.213  1.00  3.450          C  
ATOM    355  CZ3 TRP A  23       5.990  -1.094  -3.788  1.00  3.450          C  
ATOM    356  CH2 TRP A  23       6.635  -1.790  -2.810  1.00  3.450          C  
ATOM    357  H   TRP A  23       7.594   4.725  -6.488  1.00  2.700          H  
ATOM    358  HA  TRP A  23       9.154   4.640  -4.125  1.00  3.060          H  
ATOM    359 1HB  TRP A  23       7.107   3.388  -4.493  1.00  4.140          H  
ATOM    360 2HB  TRP A  23       7.840   2.484  -5.758  1.00  4.140          H  
ATOM    361  HD1 TRP A  23      10.207   2.573  -2.849  1.00  4.140          H  
ATOM    362  HE1 TRP A  23      10.034   0.363  -1.533  1.00  4.140          H  
ATOM    363  HE3 TRP A  23       5.940   0.668  -5.008  1.00  4.140          H  
ATOM    364  HZ2 TRP A  23       8.301  -1.870  -1.431  1.00  4.140          H  
ATOM    365  HZ3 TRP A  23       5.081  -1.487  -4.248  1.00  4.140          H  
ATOM    366  HH2 TRP A  23       6.228  -2.749  -2.490  1.00  4.140          H  
ATOM    367  N   GLU A  24      10.595   3.169  -6.753  1.00  2.450          N  
ATOM    368  CA  GLU A  24      11.873   2.741  -7.343  1.00  2.640          C  
ATOM    369  C   GLU A  24      11.792   2.920  -8.863  1.00  2.990          C  
ATOM    370  O   GLU A  24      10.735   2.738  -9.441  1.00  2.690          O  
ATOM    371  CB  GLU A  24      12.227   1.290  -6.972  1.00  3.620          C  
ATOM    372  CG  GLU A  24      13.617   0.835  -7.426  1.00  3.620          C  
ATOM    373  CD  GLU A  24      13.955  -0.550  -6.987  1.00  3.620          C  
ATOM    374  OE1 GLU A  24      13.134  -1.178  -6.368  1.00  3.620          O  
ATOM    375  OE2 GLU A  24      15.042  -0.986  -7.273  1.00  3.620          O  
ATOM    376  H   GLU A  24       9.763   3.108  -7.318  1.00  2.940          H  
ATOM    377  HA  GLU A  24      12.665   3.393  -6.967  1.00  3.170          H  
ATOM    378 1HB  GLU A  24      12.169   1.169  -5.889  1.00  4.340          H  
ATOM    379 2HB  GLU A  24      11.538   0.604  -7.407  1.00  4.340          H  
ATOM    380 1HG  GLU A  24      13.670   0.852  -8.504  1.00  4.340          H  
ATOM    381 2HG  GLU A  24      14.362   1.530  -7.039  1.00  4.340          H  
ATOM    382  N   ALA A  25      12.896   3.218  -9.540  1.00  4.050          N  
ATOM    383  CA  ALA A  25      12.847   3.428 -10.997  1.00  4.760          C  
ATOM    384  C   ALA A  25      12.252   2.247 -11.777  1.00  4.770          C  
ATOM    385  O   ALA A  25      11.732   2.415 -12.875  1.00  5.330          O  
ATOM    386  CB  ALA A  25      14.234   3.694 -11.528  1.00  6.380          C  
ATOM    387  H   ALA A  25      13.766   3.345  -9.040  1.00  4.860          H  
ATOM    388  HA  ALA A  25      12.224   4.301 -11.177  1.00  5.710          H  
ATOM    389 1HB  ALA A  25      14.178   3.894 -12.595  1.00  7.660          H  
ATOM    390 2HB  ALA A  25      14.659   4.545 -11.023  1.00  7.660          H  
ATOM    391 3HB  ALA A  25      14.860   2.823 -11.355  1.00  7.660          H  
ATOM    392  N   GLY A  26      12.431   1.026 -11.291  1.00  4.570          N  
ATOM    393  CA  GLY A  26      11.903  -0.143 -11.985  1.00  5.040          C  
ATOM    394  C   GLY A  26      10.596  -0.669 -11.378  1.00  4.420          C  
ATOM    395  O   GLY A  26      10.199  -1.801 -11.664  1.00  5.090          O  
ATOM    396  H   GLY A  26      12.922   0.885 -10.418  1.00  5.480          H  
ATOM    397 1HA  GLY A  26      11.738   0.106 -13.034  1.00  6.050          H  
ATOM    398 2HA  GLY A  26      12.652  -0.933 -11.967  1.00  6.050          H  
ATOM    399  N   VAL A  27       9.972   0.103 -10.490  1.00  3.460          N  
ATOM    400  CA  VAL A  27       8.783  -0.344  -9.765  1.00  3.300          C  
ATOM    401  C   VAL A  27       7.493  -0.237 -10.561  1.00  3.610          C  
ATOM    402  O   VAL A  27       7.275   0.765 -11.247  1.00  4.020          O  
ATOM    403  CB  VAL A  27       8.599   0.523  -8.496  1.00  4.680          C  
ATOM    404  CG1 VAL A  27       7.957   1.902  -8.833  1.00  4.680          C  
ATOM    405  CG2 VAL A  27       7.817  -0.205  -7.444  1.00  4.680          C  
ATOM    406  H   VAL A  27      10.352   1.029 -10.286  1.00  4.150          H  
ATOM    407  HA  VAL A  27       8.933  -1.384  -9.476  1.00  3.960          H  
ATOM    408  HB  VAL A  27       9.560   0.735  -8.130  1.00  5.620          H  
ATOM    409 1HG1 VAL A  27       7.915   2.504  -7.958  1.00  5.620          H  
ATOM    410 2HG1 VAL A  27       8.502   2.424  -9.583  1.00  5.620          H  
ATOM    411 3HG1 VAL A  27       6.966   1.757  -9.183  1.00  5.620          H  
ATOM    412 1HG2 VAL A  27       7.770   0.411  -6.587  1.00  5.620          H  
ATOM    413 2HG2 VAL A  27       6.805  -0.421  -7.792  1.00  5.620          H  
ATOM    414 3HG2 VAL A  27       8.323  -1.135  -7.191  1.00  5.620          H  
ATOM    415  N   ASP A  28       6.638  -1.248 -10.412  1.00  3.850          N  
ATOM    416  CA  ASP A  28       5.304  -1.264 -10.987  1.00  4.390          C  
ATOM    417  C   ASP A  28       4.292  -1.205  -9.854  1.00  5.230          C  
ATOM    418  O   ASP A  28       3.232  -0.592  -9.979  1.00  5.990          O  
ATOM    419  OXT ASP A  28       4.540  -1.797  -8.806  1.00  6.580          O  
ATOM    420  CB  ASP A  28       5.026  -2.505 -11.849  1.00  5.600          C  
ATOM    421  CG  ASP A  28       5.744  -2.558 -13.226  1.00  5.600          C  
ATOM    422  OD1 ASP A  28       5.769  -1.550 -13.950  1.00  5.600          O  
ATOM    423  OD2 ASP A  28       6.220  -3.625 -13.557  1.00  5.600          O  
ATOM    424  H   ASP A  28       6.932  -2.038  -9.855  1.00  4.620          H  
ATOM    425  HA  ASP A  28       5.175  -0.386 -11.588  1.00  5.270          H  
ATOM    426 1HB  ASP A  28       5.309  -3.395 -11.285  1.00  6.720          H  
ATOM    427 2HB  ASP A  28       3.952  -2.573 -12.026  1.00  6.720          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 -141.123 16.0474 98.118 -9.41308 2.94625 7.33089 48.2192 -56.1438 -0.33964 -2.24229 -39.3605 -8.72479 -16.6129 -1.30585 -1.04113 0 0 0.28082 1.9004 10.5749 26.0937 -5.74639 4.58255 7.53494 -0.69308 15.2745 -43.8425
GLN:NtermProteinFull_1 -1.60897 0.0776 0.96806 -0.25729 0.04335 0.21558 0.11655 -0.47212 -0.05101 -0.27798 -0.3785 0.93933 0 0 0 0 0 0.03185 0.01882 0 2.67045 0 0 -0.18838 0 0.08349 1.93084
GLN_2 -5.33735 0.88168 2.531 -0.63295 0.0917 0.63169 0.39899 -1.30946 -0.05101 -0.27798 -0.31613 -0.47631 0 0 0 0 0 0.08501 0.02891 0 2.18352 -0.07987 0 -0.18838 -0.20655 0.69621 -1.34727
PRO_3 -4.14669 0.68548 3.20367 -0.20045 0.00593 0.14765 2.16473 -1.579 -0 -0 -2.9995 -0.02712 0 0 0 0 0 0.04029 0.00155 0.38238 0 -0.88438 0 -2.4119 -0.39146 0.92128 -5.08755
GLN_4 -3.63212 0.42611 3.09733 -0.59359 0.20331 0.98673 1.8624 -1.68274 -0.01346 -0.13038 -0.79456 -2.26268 0 0 0 0 0 -0.15958 0.01441 0 3.71358 0.08551 0 -0.18838 0.10654 0.5937 1.63213
ALA_5 -2.74324 0.41623 2.00562 -0.0246 0.00012 0 0.87083 -1.32286 -0.02156 -0.23412 0.24887 -0.39064 0 0 0 0 0 -0.05599 0 0 0 -0.39981 0 1.8394 0.03389 0.48616 0.70831
VAL_6 -7.6466 1.06806 4.24245 -0.27082 0.16629 0.04647 2.91184 -2.82661 -0 -0 -2.17974 -0.07983 0 0 0 0 0 -0.05839 0.08592 0.33224 0 -0.11113 0 1.9342 0.09904 0.46081 -1.82582
HIS_7 -5.93998 0.70903 4.81914 -0.75049 0.01711 0.81862 1.90198 -2.47922 -0.02157 -0.12969 -1.14891 -0.19582 0 0 0 0 0 0.05595 0.03549 0 1.76198 0.03726 0 -0.45461 0.2817 0.52371 -0.15832
THR_8 -3.69722 0.12503 2.91337 -0.13493 0.08759 0.07956 1.55245 -1.68915 -0 -0 -0.65165 -1.03148 0 0 0 0 0 0.02507 0.05644 0.01381 0 -0.04059 2.25117 -1.0874 -0.02874 0.41043 -0.84624
TYR_9 -8.94445 1.09904 4.07154 -0.64326 0.0858 0.37048 1.84389 -2.68311 -0.02902 -0.26353 -1.04156 -0.19876 0 0 0 0 0 -0.04309 0.05114 0 2.20495 -0.301 0.0156 1.2797 -0.10505 0.38267 -2.84803
CYS_10 -6.63438 0.62955 3.35548 -0.04378 0 0.01204 1.51664 -1.93688 -0.03824 -0.26396 -2.14383 -0.26767 0 0 0 0 0 0.25664 0.00455 0.20584 0 -0.03627 0 3.6196 -0.26618 0.42052 -1.61034
GLY_11 -4.63999 0.58709 5.17124 -0.00041 0 0 3.12808 -2.72766 -0.03128 -0.1572 -4.57887 -0.17247 0 0 0 0 0 -0.01718 0 0 0 -1.51309 0 0.83697 0.40612 0.77893 -2.92972
ARG_12 -5.68115 0.3869 6.96267 -0.81737 0.10636 0.55295 3.12226 -3.02655 -0.00687 -0.05617 -4.17783 0.33856 0 0 -0.52057 0 0 -0.07551 0.19431 1.55936 0 -0.20028 0 -1.2888 0.33613 0.89784 -1.39376
HIS_13 -3.90355 0.34724 3.4825 -0.73283 0.00995 0.84252 0.56937 -1.80138 -0.00044 -0.01007 -0.35031 -2.31419 0 0 0 0 0 0.0382 0.19566 0 1.63773 -0.03088 0 -0.45461 -0.29321 0.48943 -2.27886
LEU_14 -6.76563 0.69232 5.71952 -0.47644 0.25033 0.09981 3.00494 -3.08599 -0 -0 -3.57022 0.18835 0 0 0 0 0 0.07425 0.00425 0.70131 0 -0.14075 0 0.18072 0.32477 0.62375 -2.17469
ALA_15 -7.74535 0.64431 4.56494 -0.02325 0 0 3.28147 -3.57612 -0 -0 -1.65165 -0.34976 0 0 0 0 0 -0.09144 0 0 0 -0.41159 0 1.8394 0.13569 0.68012 -2.70323
ARG_16 -5.15456 0.24464 4.95093 -0.6678 0.10135 0.45828 2.15803 -2.36605 -0.03128 -0.1572 -1.65725 0.53104 0 0 0 0 0 0.0363 0.00479 1.57174 0 -0.08461 0 -1.2888 -0.5024 0.39393 -1.45892
THR_17 -2.65491 0.25209 2.79393 -0.20962 0.2004 0.07885 1.48602 -1.40421 -0 -0 -0.60945 -0.50285 0 0 0 0 0 -0.01314 0.07991 0.53106 0 -0.37452 2.31578 -1.0874 -0.11048 0.38784 1.15931
LEU_18 -7.1252 0.55241 4.34159 -0.49445 0.26204 0.13932 3.05108 -2.5545 -0 -0 -2.36965 -0.01669 0 0 0 0 0 0.07087 0.21131 0.32074 0 0.0581 0 0.18072 0.40605 0.65796 -2.30832
ALA_19 -4.06024 0.47011 3.06192 -0.02376 0 0 1.60731 -2.06358 -0 -0 0.0012 -0.36004 0 0 0 0 0 -0.09113 0 0 0 -0.39727 0 1.8394 -0.01555 0.53344 0.50182
ASP_20 -1.88879 0.20049 1.74529 -0.12355 0.01896 0.3827 0.115 -1.00761 -0 -0 -0.16824 -0.28094 0 0 0 0 0 -0.06898 0.01583 0 2.35351 -0.32616 0 -2.3716 -0.74365 0.19227 -1.95546
LEU_21 -5.47953 0.6493 2.71254 -0.64167 0.3546 0.157 1.64008 -1.74357 -0 -0 -0.71285 0.31482 0 0 0 0 0 -0.0354 0.0671 2.63934 0 -0.19912 0 0.18072 -0.14906 0.44989 0.2042
CYS_22 -8.33615 0.87099 4.03196 -0.07173 0.00022 0.06053 1.63162 -2.37835 -0.00425 -0.02552 -0.13265 -0.03789 0 0 0 0 0 -0.03321 0.00134 0.70175 0 0.22046 0 3.6196 0.28165 0.57596 0.97632
TRP_23 -5.96486 0.63485 1.56098 -0.83085 0.19873 0.50813 0.47038 -1.26618 -0 -0 0.14542 -0.73406 0 0 0 0 0 0.12083 0.00082 0 3.47731 -0.31881 0 1.6906 0.04235 0.6574 0.39306
GLU_24 -4.6942 1.15437 4.20023 -0.24053 0.03231 0.26706 1.92444 -2.15159 -0.01429 -0.0883 -1.06574 -0.21035 0 0 0 0 0 0.13777 0.01118 0 3.32716 -0.0866 0 -2.7348 0.1701 0.69462 0.63285
ALA_25 -4.13044 0.39376 1.89253 -0.02463 0.00025 0 1.21558 -1.60745 -0.00687 -0.05617 -0.11904 -0.38181 0 0 0 0 0 -0.09864 0 0 0 -0.39931 0 1.8394 -0.12486 0.52063 -1.08704
GLY_26 -2.08293 0.18122 1.98572 -7e-05 0 0 0.44567 -0.99918 -0 -0 -0.27933 -0.36745 0 0 0 0 0 0.00929 0 0 0 0.41639 0 0.83697 -0.1654 0.35792 0.33882
VAL_27 -7.17992 1.32361 3.23226 -0.36634 0.70779 0.08593 2.64611 -2.48073 -0.01617 -0.09612 -2.72708 -0.15185 0 0 0 0 0 0.14017 0.72101 1.61531 0 -0.2281 0 1.9342 -0.05662 0.52436 -0.37219
ASP:CtermProteinFull_28 -3.30414 0.34392 4.49962 -0.1156 0.00174 0.389 1.58143 -1.92199 -0.00232 -0.01789 -3.93143 -0.22622 0 0 -0.52057 0 0 0 0.09564 0 2.76348 0 0 -2.3716 -0.15789 0.8792 -2.01561
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

