REMARK ID 691853 DOMAINID 682969 MODEL 1 pep3_AB
MODEL     1
REMARK    Rerank model04.pdb to model01.pdb score: 15.710
REMARK    CLUSTER 0004 t000_.out.valid.rescored.best_scoring.binary cluster_size: 9 cluster_threshold: 1.755808
REMARK    SCORE     description: cluster0004_0001
REMARK    SCORE         p_aa_pp:          -4.524
REMARK    SCORE     total_score:         -91.615
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE           omega:           0.443
REMARK    SCORE          fa_atr:        -199.841
REMARK    SCORE     rama_prepro:          -7.910
REMARK    SCORE     hbond_lr_bb:           0.000
REMARK    SCORE     lk_ball_wtd:          -6.554
REMARK    SCORE     hbond_bb_sc:          -1.944
REMARK    SCORE fa_intra_sol_xover4:           9.798
REMARK    SCORE    fa_intra_rep:           0.395
REMARK    SCORE        hbond_sc:          -3.897
REMARK    SCORE           score:         -91.615
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE     hbond_sr_bb:         -28.273
REMARK    SCORE          fa_sol:         134.813
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE            time:           0.000
REMARK    SCORE          fa_rep:          19.382
REMARK    SCORE             ref:           2.212
REMARK    SCORE         fa_elec:         -71.575
REMARK    SCORE          fa_dun:          49.203
REMARK    SCORE     cart_bonded:          16.658
REMARK    SCORE linear_chainbreak:           0.000
ATOM      1  N   ASP A   1       0.481  -0.375  -0.295  1.00  2.450          N  
ATOM      2  CA  ASP A   1       1.896  -0.195   0.017  1.00  1.640          C  
ATOM      3  C   ASP A   1       2.432   1.232  -0.183  1.00  1.390          C  
ATOM      4  O   ASP A   1       3.656   1.430  -0.261  1.00  1.370          O  
ATOM      5  CB  ASP A   1       2.698  -1.181  -0.830  1.00  2.620          C  
ATOM      6  CG  ASP A   1       2.402  -0.932  -2.272  1.00  2.620          C  
ATOM      7  OD1 ASP A   1       1.454  -0.185  -2.476  1.00  2.620          O  
ATOM      8  OD2 ASP A   1       3.042  -1.464  -3.139  1.00  2.620          O  
ATOM      9 1H   ASP A   1       0.286  -1.361  -0.358  1.00  2.940          H  
ATOM     10 2H   ASP A   1      -0.130   0.036   0.416  1.00  2.940          H  
ATOM     11 3H   ASP A   1       0.311   0.047  -1.203  1.00  2.940          H  
ATOM     12  HA  ASP A   1       2.040  -0.456   1.065  1.00  1.970          H  
ATOM     13 1HB  ASP A   1       3.767  -1.051  -0.649  1.00  3.140          H  
ATOM     14 2HB  ASP A   1       2.429  -2.206  -0.572  1.00  3.140          H  
ATOM     15  N   TRP A   2       1.539   2.231  -0.257  1.00  1.290          N  
ATOM     16  CA  TRP A   2       1.966   3.619  -0.445  1.00  1.150          C  
ATOM     17  C   TRP A   2       2.802   4.135   0.701  1.00  1.010          C  
ATOM     18  O   TRP A   2       3.779   4.852   0.481  1.00  0.900          O  
ATOM     19  CB  TRP A   2       0.791   4.582  -0.630  1.00  1.670          C  
ATOM     20  CG  TRP A   2       1.272   6.007  -0.834  1.00  1.670          C  
ATOM     21  CD1 TRP A   2       1.636   6.560  -2.021  1.00  1.670          C  
ATOM     22  CD2 TRP A   2       1.454   7.057   0.164  1.00  1.670          C  
ATOM     23  NE1 TRP A   2       2.037   7.858  -1.836  1.00  1.670          N  
ATOM     24  CE2 TRP A   2       1.934   8.175  -0.507  1.00  1.670          C  
ATOM     25  CE3 TRP A   2       1.257   7.127   1.537  1.00  1.670          C  
ATOM     26  CZ2 TRP A   2       2.224   9.354   0.153  1.00  1.670          C  
ATOM     27  CZ3 TRP A   2       1.549   8.302   2.199  1.00  1.670          C  
ATOM     28  CH2 TRP A   2       2.018   9.387   1.526  1.00  1.670          C  
ATOM     29  H   TRP A   2       0.552   2.036  -0.176  1.00  1.550          H  
ATOM     30  HA  TRP A   2       2.575   3.662  -1.347  1.00  1.380          H  
ATOM     31 1HB  TRP A   2       0.200   4.281  -1.492  1.00  2.000          H  
ATOM     32 2HB  TRP A   2       0.147   4.554   0.249  1.00  2.000          H  
ATOM     33  HD1 TRP A   2       1.620   6.043  -2.979  1.00  2.000          H  
ATOM     34  HE1 TRP A   2       2.362   8.479  -2.561  1.00  2.000          H  
ATOM     35  HE3 TRP A   2       0.883   6.274   2.071  1.00  2.000          H  
ATOM     36  HZ2 TRP A   2       2.604  10.233  -0.367  1.00  2.000          H  
ATOM     37  HZ3 TRP A   2       1.396   8.343   3.271  1.00  2.000          H  
ATOM     38  HH2 TRP A   2       2.242  10.299   2.078  1.00  2.000          H  
ATOM     39  N   PHE A   3       2.364   3.845   1.925  1.00  1.130          N  
ATOM     40  CA  PHE A   3       3.001   4.363   3.123  1.00  1.170          C  
ATOM     41  C   PHE A   3       4.327   3.704   3.313  1.00  1.110          C  
ATOM     42  O   PHE A   3       5.279   4.326   3.761  1.00  1.080          O  
ATOM     43  CB  PHE A   3       2.163   4.087   4.340  1.00  1.620          C  
ATOM     44  CG  PHE A   3       0.943   4.899   4.452  1.00  1.620          C  
ATOM     45  CD1 PHE A   3      -0.250   4.444   3.932  1.00  1.620          C  
ATOM     46  CD2 PHE A   3       0.961   6.110   5.094  1.00  1.620          C  
ATOM     47  CE1 PHE A   3      -1.379   5.192   4.047  1.00  1.620          C  
ATOM     48  CE2 PHE A   3      -0.175   6.852   5.222  1.00  1.620          C  
ATOM     49  CZ  PHE A   3      -1.348   6.389   4.695  1.00  1.620          C  
ATOM     50  H   PHE A   3       1.577   3.192   2.032  1.00  1.360          H  
ATOM     51  HA  PHE A   3       3.145   5.435   3.018  1.00  1.400          H  
ATOM     52 1HB  PHE A   3       1.876   3.048   4.327  1.00  1.950          H  
ATOM     53 2HB  PHE A   3       2.762   4.248   5.218  1.00  1.950          H  
ATOM     54  HD1 PHE A   3      -0.290   3.484   3.417  1.00  1.950          H  
ATOM     55  HD2 PHE A   3       1.881   6.480   5.499  1.00  1.950          H  
ATOM     56  HE1 PHE A   3      -2.321   4.834   3.626  1.00  1.950          H  
ATOM     57  HE2 PHE A   3      -0.151   7.813   5.739  1.00  1.950          H  
ATOM     58  HZ  PHE A   3      -2.266   6.972   4.792  1.00  1.950          H  
ATOM     59  N   LYS A   4       4.409   2.429   2.978  1.00  1.210          N  
ATOM     60  CA  LYS A   4       5.673   1.752   3.133  1.00  1.330          C  
ATOM     61  C   LYS A   4       6.679   2.373   2.181  1.00  1.130          C  
ATOM     62  O   LYS A   4       7.791   2.728   2.580  1.00  1.110          O  
ATOM     63  CB  LYS A   4       5.518   0.249   2.879  1.00  1.810          C  
ATOM     64  CG  LYS A   4       6.822  -0.583   2.938  1.00  1.810          C  
ATOM     65  CD  LYS A   4       7.499  -0.518   4.298  1.00  1.810          C  
ATOM     66  CE  LYS A   4       8.537  -1.629   4.496  1.00  1.810          C  
ATOM     67  NZ  LYS A   4       9.615  -1.610   3.451  1.00  1.810          N  
ATOM     68  H   LYS A   4       3.584   1.954   2.621  1.00  1.450          H  
ATOM     69  HA  LYS A   4       6.030   1.907   4.147  1.00  1.600          H  
ATOM     70 1HB  LYS A   4       4.822  -0.166   3.609  1.00  2.180          H  
ATOM     71 2HB  LYS A   4       5.076   0.099   1.891  1.00  2.180          H  
ATOM     72 1HG  LYS A   4       6.589  -1.621   2.705  1.00  2.180          H  
ATOM     73 2HG  LYS A   4       7.514  -0.207   2.183  1.00  2.180          H  
ATOM     74 1HD  LYS A   4       8.028   0.438   4.382  1.00  2.180          H  
ATOM     75 2HD  LYS A   4       6.756  -0.583   5.084  1.00  2.180          H  
ATOM     76 1HE  LYS A   4       8.999  -1.494   5.474  1.00  2.180          H  
ATOM     77 2HE  LYS A   4       8.038  -2.596   4.471  1.00  2.180          H  
ATOM     78 1HZ  LYS A   4      10.278  -2.343   3.629  1.00  2.180          H  
ATOM     79 2HZ  LYS A   4       9.218  -1.740   2.540  1.00  2.180          H  
ATOM     80 3HZ  LYS A   4      10.110  -0.701   3.460  1.00  2.180          H  
ATOM     81  N   ALA A   5       6.294   2.529   0.910  1.00  1.070          N  
ATOM     82  CA  ALA A   5       7.228   3.109  -0.034  1.00  1.040          C  
ATOM     83  C   ALA A   5       7.581   4.541   0.351  1.00  0.770          C  
ATOM     84  O   ALA A   5       8.755   4.922   0.349  1.00  0.770          O  
ATOM     85  CB  ALA A   5       6.629   3.079  -1.424  1.00  1.470          C  
ATOM     86  H   ALA A   5       5.364   2.230   0.599  1.00  1.280          H  
ATOM     87  HA  ALA A   5       8.142   2.516  -0.018  1.00  1.250          H  
ATOM     88 1HB  ALA A   5       7.336   3.494  -2.136  1.00  1.760          H  
ATOM     89 2HB  ALA A   5       6.395   2.049  -1.694  1.00  1.760          H  
ATOM     90 3HB  ALA A   5       5.710   3.671  -1.430  1.00  1.760          H  
ATOM     91  N   PHE A   6       6.564   5.321   0.726  1.00  0.670          N  
ATOM     92  CA  PHE A   6       6.731   6.707   1.113  1.00  0.690          C  
ATOM     93  C   PHE A   6       7.636   6.880   2.313  1.00  0.670          C  
ATOM     94  O   PHE A   6       8.560   7.690   2.275  1.00  0.650          O  
ATOM     95  CB  PHE A   6       5.366   7.333   1.359  1.00  0.960          C  
ATOM     96  CG  PHE A   6       5.408   8.694   1.882  1.00  0.960          C  
ATOM     97  CD1 PHE A   6       5.754   9.752   1.076  1.00  0.960          C  
ATOM     98  CD2 PHE A   6       5.065   8.933   3.186  1.00  0.960          C  
ATOM     99  CE1 PHE A   6       5.773  11.029   1.575  1.00  0.960          C  
ATOM    100  CE2 PHE A   6       5.079  10.204   3.692  1.00  0.960          C  
ATOM    101  CZ  PHE A   6       5.436  11.254   2.887  1.00  0.960          C  
ATOM    102  H   PHE A   6       5.607   4.964   0.703  1.00  0.800          H  
ATOM    103  HA  PHE A   6       7.189   7.229   0.275  1.00  0.830          H  
ATOM    104 1HB  PHE A   6       4.794   7.334   0.432  1.00  1.150          H  
ATOM    105 2HB  PHE A   6       4.821   6.722   2.060  1.00  1.150          H  
ATOM    106  HD1 PHE A   6       6.018   9.568   0.035  1.00  1.150          H  
ATOM    107  HD2 PHE A   6       4.777   8.091   3.809  1.00  1.150          H  
ATOM    108  HE1 PHE A   6       6.053  11.861   0.933  1.00  1.150          H  
ATOM    109  HE2 PHE A   6       4.805  10.386   4.725  1.00  1.150          H  
ATOM    110  HZ  PHE A   6       5.447  12.267   3.286  1.00  1.150          H  
ATOM    111  N   TYR A   7       7.367   6.145   3.387  1.00  0.860          N  
ATOM    112  CA  TYR A   7       8.134   6.266   4.603  1.00  1.050          C  
ATOM    113  C   TYR A   7       9.576   5.825   4.405  1.00  0.900          C  
ATOM    114  O   TYR A   7      10.485   6.433   4.989  1.00  0.900          O  
ATOM    115  CB  TYR A   7       7.422   5.526   5.730  1.00  1.390          C  
ATOM    116  CG  TYR A   7       6.109   6.234   6.229  1.00  1.390          C  
ATOM    117  CD1 TYR A   7       5.977   7.639   6.254  1.00  1.390          C  
ATOM    118  CD2 TYR A   7       5.055   5.477   6.696  1.00  1.390          C  
ATOM    119  CE1 TYR A   7       4.833   8.212   6.739  1.00  1.390          C  
ATOM    120  CE2 TYR A   7       3.920   6.075   7.180  1.00  1.390          C  
ATOM    121  CZ  TYR A   7       3.813   7.433   7.201  1.00  1.390          C  
ATOM    122  OH  TYR A   7       2.677   8.033   7.686  1.00  1.390          O  
ATOM    123  H   TYR A   7       6.597   5.481   3.370  1.00  1.030          H  
ATOM    124  HA  TYR A   7       8.192   7.314   4.855  1.00  1.260          H  
ATOM    125 1HB  TYR A   7       7.167   4.521   5.393  1.00  1.670          H  
ATOM    126 2HB  TYR A   7       8.095   5.416   6.579  1.00  1.670          H  
ATOM    127  HD1 TYR A   7       6.757   8.301   5.915  1.00  1.670          H  
ATOM    128  HD2 TYR A   7       5.118   4.414   6.690  1.00  1.670          H  
ATOM    129  HE1 TYR A   7       4.741   9.293   6.766  1.00  1.670          H  
ATOM    130  HE2 TYR A   7       3.102   5.468   7.554  1.00  1.670          H  
ATOM    131  HH  TYR A   7       2.039   7.358   7.944  1.00  1.670          H  
ATOM    132  N   ASP A   8       9.825   4.772   3.615  1.00  0.920          N  
ATOM    133  CA  ASP A   8      11.216   4.427   3.375  1.00  1.040          C  
ATOM    134  C   ASP A   8      11.904   5.571   2.622  1.00  0.840          C  
ATOM    135  O   ASP A   8      13.049   5.902   2.939  1.00  0.900          O  
ATOM    136  CB  ASP A   8      11.365   3.111   2.617  1.00  1.410          C  
ATOM    137  CG  ASP A   8      11.076   1.846   3.480  1.00  1.410          C  
ATOM    138  OD1 ASP A   8      11.011   1.928   4.695  1.00  1.410          O  
ATOM    139  OD2 ASP A   8      10.960   0.781   2.905  1.00  1.410          O  
ATOM    140  H   ASP A   8       9.070   4.213   3.197  1.00  1.100          H  
ATOM    141  HA  ASP A   8      11.713   4.310   4.337  1.00  1.250          H  
ATOM    142 1HB  ASP A   8      10.661   3.117   1.774  1.00  1.690          H  
ATOM    143 2HB  ASP A   8      12.369   3.040   2.203  1.00  1.690          H  
ATOM    144  N   LYS A   9      11.197   6.207   1.661  1.00  0.660          N  
ATOM    145  CA  LYS A   9      11.752   7.354   0.935  1.00  0.640          C  
ATOM    146  C   LYS A   9      12.042   8.517   1.889  1.00  0.510          C  
ATOM    147  O   LYS A   9      13.042   9.221   1.711  1.00  0.580          O  
ATOM    148  CB  LYS A   9      10.832   7.794  -0.204  1.00  0.900          C  
ATOM    149  CG  LYS A   9      10.796   6.822  -1.382  1.00  0.900          C  
ATOM    150  CD  LYS A   9       9.808   7.271  -2.453  1.00  0.900          C  
ATOM    151  CE  LYS A   9       9.747   6.277  -3.609  1.00  0.900          C  
ATOM    152  NZ  LYS A   9       8.759   6.692  -4.650  1.00  0.900          N  
ATOM    153  H   LYS A   9      10.271   5.849   1.394  1.00  0.790          H  
ATOM    154  HA  LYS A   9      12.699   7.046   0.490  1.00  0.770          H  
ATOM    155 1HB  LYS A   9       9.821   7.907   0.166  1.00  1.080          H  
ATOM    156 2HB  LYS A   9      11.157   8.764  -0.576  1.00  1.080          H  
ATOM    157 1HG  LYS A   9      11.798   6.772  -1.820  1.00  1.080          H  
ATOM    158 2HG  LYS A   9      10.537   5.831  -1.033  1.00  1.080          H  
ATOM    159 1HD  LYS A   9       8.815   7.352  -2.005  1.00  1.080          H  
ATOM    160 2HD  LYS A   9      10.099   8.248  -2.835  1.00  1.080          H  
ATOM    161 1HE  LYS A   9      10.733   6.202  -4.066  1.00  1.080          H  
ATOM    162 2HE  LYS A   9       9.461   5.298  -3.220  1.00  1.080          H  
ATOM    163 1HZ  LYS A   9       8.747   6.009  -5.396  1.00  1.080          H  
ATOM    164 2HZ  LYS A   9       7.839   6.752  -4.236  1.00  1.080          H  
ATOM    165 3HZ  LYS A   9       9.019   7.594  -5.025  1.00  1.080          H  
ATOM    166  N   VAL A  10      11.181   8.722   2.899  1.00  0.450          N  
ATOM    167  CA  VAL A  10      11.420   9.783   3.875  1.00  0.500          C  
ATOM    168  C   VAL A  10      12.734   9.502   4.580  1.00  0.510          C  
ATOM    169  O   VAL A  10      13.554  10.405   4.755  1.00  0.530          O  
ATOM    170  CB  VAL A  10      10.295   9.874   4.945  1.00  0.680          C  
ATOM    171  CG1 VAL A  10      10.704  10.849   6.079  1.00  0.680          C  
ATOM    172  CG2 VAL A  10       8.985  10.355   4.305  1.00  0.680          C  
ATOM    173  H   VAL A  10      10.328   8.153   2.922  1.00  0.540          H  
ATOM    174  HA  VAL A  10      11.494  10.736   3.352  1.00  0.600          H  
ATOM    175  HB  VAL A  10      10.148   8.897   5.379  1.00  0.820          H  
ATOM    176 1HG1 VAL A  10       9.911  10.894   6.822  1.00  0.820          H  
ATOM    177 2HG1 VAL A  10      11.619  10.518   6.567  1.00  0.820          H  
ATOM    178 3HG1 VAL A  10      10.859  11.837   5.658  1.00  0.820          H  
ATOM    179 1HG2 VAL A  10       8.203  10.400   5.062  1.00  0.820          H  
ATOM    180 2HG2 VAL A  10       9.133  11.343   3.876  1.00  0.820          H  
ATOM    181 3HG2 VAL A  10       8.681   9.679   3.530  1.00  0.820          H  
ATOM    182  N   ALA A  11      12.934   8.254   5.003  1.00  0.600          N  
ATOM    183  CA  ALA A  11      14.180   7.907   5.653  1.00  0.750          C  
ATOM    184  C   ALA A  11      15.376   8.137   4.726  1.00  0.710          C  
ATOM    185  O   ALA A  11      16.404   8.651   5.176  1.00  0.790          O  
ATOM    186  CB  ALA A  11      14.131   6.480   6.130  1.00  0.990          C  
ATOM    187  H   ALA A  11      12.186   7.558   4.887  1.00  0.720          H  
ATOM    188  HA  ALA A  11      14.302   8.558   6.501  1.00  0.900          H  
ATOM    189 1HB  ALA A  11      15.053   6.234   6.653  1.00  1.190          H  
ATOM    190 2HB  ALA A  11      13.285   6.384   6.802  1.00  1.190          H  
ATOM    191 3HB  ALA A  11      14.003   5.813   5.280  1.00  1.190          H  
ATOM    192  N   GLU A  12      15.239   7.827   3.429  1.00  0.650          N  
ATOM    193  CA  GLU A  12      16.344   8.069   2.502  1.00  0.720          C  
ATOM    194  C   GLU A  12      16.680   9.560   2.440  1.00  0.680          C  
ATOM    195  O   GLU A  12      17.852   9.931   2.413  1.00  0.790          O  
ATOM    196  CB  GLU A  12      16.020   7.568   1.091  1.00  0.980          C  
ATOM    197  CG  GLU A  12      15.962   6.056   0.933  1.00  0.980          C  
ATOM    198  CD  GLU A  12      15.553   5.642  -0.461  1.00  0.980          C  
ATOM    199  OE1 GLU A  12      15.195   6.507  -1.227  1.00  0.980          O  
ATOM    200  OE2 GLU A  12      15.601   4.472  -0.758  1.00  0.980          O  
ATOM    201  H   GLU A  12      14.386   7.351   3.114  1.00  0.780          H  
ATOM    202  HA  GLU A  12      17.219   7.532   2.863  1.00  0.860          H  
ATOM    203 1HB  GLU A  12      15.063   7.972   0.779  1.00  1.180          H  
ATOM    204 2HB  GLU A  12      16.770   7.946   0.397  1.00  1.180          H  
ATOM    205 1HG  GLU A  12      16.945   5.641   1.154  1.00  1.180          H  
ATOM    206 2HG  GLU A  12      15.257   5.651   1.653  1.00  1.180          H  
ATOM    207  N   LYS A  13      15.659  10.426   2.452  1.00  0.590          N  
ATOM    208  CA  LYS A  13      15.893  11.872   2.439  1.00  0.710          C  
ATOM    209  C   LYS A  13      16.641  12.312   3.705  1.00  0.760          C  
ATOM    210  O   LYS A  13      17.571  13.121   3.640  1.00  0.970          O  
ATOM    211  CB  LYS A  13      14.569  12.633   2.310  1.00  0.950          C  
ATOM    212  CG  LYS A  13      13.903  12.513   0.938  1.00  0.950          C  
ATOM    213  CD  LYS A  13      12.565  13.253   0.893  1.00  0.950          C  
ATOM    214  CE  LYS A  13      11.894  13.107  -0.467  1.00  0.950          C  
ATOM    215  NZ  LYS A  13      10.571  13.796  -0.512  1.00  0.950          N  
ATOM    216  H   LYS A  13      14.708  10.046   2.400  1.00  0.710          H  
ATOM    217  HA  LYS A  13      16.515  12.113   1.579  1.00  0.850          H  
ATOM    218 1HB  LYS A  13      13.866  12.262   3.052  1.00  1.140          H  
ATOM    219 2HB  LYS A  13      14.737  13.688   2.517  1.00  1.140          H  
ATOM    220 1HG  LYS A  13      14.568  12.925   0.180  1.00  1.140          H  
ATOM    221 2HG  LYS A  13      13.737  11.462   0.712  1.00  1.140          H  
ATOM    222 1HD  LYS A  13      11.904  12.843   1.660  1.00  1.140          H  
ATOM    223 2HD  LYS A  13      12.724  14.310   1.101  1.00  1.140          H  
ATOM    224 1HE  LYS A  13      12.541  13.533  -1.232  1.00  1.140          H  
ATOM    225 2HE  LYS A  13      11.747  12.045  -0.678  1.00  1.140          H  
ATOM    226 1HZ  LYS A  13      10.159  13.676  -1.428  1.00  1.140          H  
ATOM    227 2HZ  LYS A  13       9.958  13.400   0.186  1.00  1.140          H  
ATOM    228 3HZ  LYS A  13      10.696  14.781  -0.328  1.00  1.140          H  
ATOM    229  N   PHE A  14      16.254  11.735   4.851  1.00  0.690          N  
ATOM    230  CA  PHE A  14      16.878  11.999   6.149  1.00  0.870          C  
ATOM    231  C   PHE A  14      18.287  11.406   6.266  1.00  0.770          C  
ATOM    232  O   PHE A  14      19.127  11.941   6.999  1.00  0.750          O  
ATOM    233  CB  PHE A  14      16.022  11.447   7.295  1.00  1.150          C  
ATOM    234  CG  PHE A  14      14.811  12.274   7.716  1.00  1.150          C  
ATOM    235  CD1 PHE A  14      13.865  12.746   6.821  1.00  1.150          C  
ATOM    236  CD2 PHE A  14      14.615  12.554   9.063  1.00  1.150          C  
ATOM    237  CE1 PHE A  14      12.783  13.473   7.267  1.00  1.150          C  
ATOM    238  CE2 PHE A  14      13.540  13.272   9.499  1.00  1.150          C  
ATOM    239  CZ  PHE A  14      12.622  13.733   8.601  1.00  1.150          C  
ATOM    240  H   PHE A  14      15.435  11.114   4.814  1.00  0.830          H  
ATOM    241  HA  PHE A  14      16.956  13.079   6.271  1.00  1.040          H  
ATOM    242 1HB  PHE A  14      15.665  10.467   7.003  1.00  1.380          H  
ATOM    243 2HB  PHE A  14      16.645  11.304   8.167  1.00  1.380          H  
ATOM    244  HD1 PHE A  14      13.965  12.550   5.761  1.00  1.380          H  
ATOM    245  HD2 PHE A  14      15.336  12.187   9.795  1.00  1.380          H  
ATOM    246  HE1 PHE A  14      12.049  13.842   6.552  1.00  1.380          H  
ATOM    247  HE2 PHE A  14      13.416  13.474  10.564  1.00  1.380          H  
ATOM    248  HZ  PHE A  14      11.763  14.305   8.946  1.00  1.380          H  
ATOM    249  N   LYS A  15      18.567  10.330   5.528  1.00  0.810          N  
ATOM    250  CA  LYS A  15      19.839   9.614   5.571  1.00  0.760          C  
ATOM    251  C   LYS A  15      21.092  10.476   5.530  1.00  0.760          C  
ATOM    252  O   LYS A  15      22.075  10.146   6.186  1.00  0.800          O  
ATOM    253  CB  LYS A  15      19.912   8.577   4.455  1.00  1.080          C  
ATOM    254  CG  LYS A  15      21.176   7.719   4.465  1.00  1.080          C  
ATOM    255  CD  LYS A  15      21.127   6.656   3.376  1.00  1.080          C  
ATOM    256  CE  LYS A  15      22.404   5.824   3.356  1.00  1.080          C  
ATOM    257  NZ  LYS A  15      22.371   4.778   2.292  1.00  1.080          N  
ATOM    258  H   LYS A  15      17.821   9.907   4.968  1.00  0.970          H  
ATOM    259  HA  LYS A  15      19.864   9.071   6.494  1.00  0.910          H  
ATOM    260 1HB  LYS A  15      19.042   7.925   4.513  1.00  1.300          H  
ATOM    261 2HB  LYS A  15      19.880   9.084   3.496  1.00  1.300          H  
ATOM    262 1HG  LYS A  15      22.048   8.348   4.289  1.00  1.300          H  
ATOM    263 2HG  LYS A  15      21.283   7.244   5.441  1.00  1.300          H  
ATOM    264 1HD  LYS A  15      20.271   6.000   3.546  1.00  1.300          H  
ATOM    265 2HD  LYS A  15      21.004   7.141   2.407  1.00  1.300          H  
ATOM    266 1HE  LYS A  15      23.254   6.482   3.179  1.00  1.300          H  
ATOM    267 2HE  LYS A  15      22.529   5.339   4.325  1.00  1.300          H  
ATOM    268 1HZ  LYS A  15      23.233   4.249   2.311  1.00  1.300          H  
ATOM    269 2HZ  LYS A  15      21.592   4.154   2.454  1.00  1.300          H  
ATOM    270 3HZ  LYS A  15      22.267   5.217   1.389  1.00  1.300          H  
ATOM    271  N   GLU A  16      21.115  11.554   4.747  1.00  0.870          N  
ATOM    272  CA  GLU A  16      22.336  12.351   4.669  1.00  1.020          C  
ATOM    273  C   GLU A  16      22.491  13.341   5.836  1.00  1.000          C  
ATOM    274  O   GLU A  16      23.527  13.995   5.966  1.00  1.170          O  
ATOM    275  CB  GLU A  16      22.383  13.111   3.341  1.00  1.370          C  
ATOM    276  CG  GLU A  16      22.512  12.214   2.111  1.00  1.370          C  
ATOM    277  CD  GLU A  16      22.531  12.982   0.810  1.00  1.370          C  
ATOM    278  OE1 GLU A  16      22.393  14.182   0.846  1.00  1.370          O  
ATOM    279  OE2 GLU A  16      22.684  12.365  -0.218  1.00  1.370          O  
ATOM    280  H   GLU A  16      20.303  11.821   4.196  1.00  1.040          H  
ATOM    281  HA  GLU A  16      23.186  11.669   4.698  1.00  1.220          H  
ATOM    282 1HB  GLU A  16      21.473  13.703   3.233  1.00  1.640          H  
ATOM    283 2HB  GLU A  16      23.226  13.802   3.345  1.00  1.640          H  
ATOM    284 1HG  GLU A  16      23.432  11.637   2.195  1.00  1.640          H  
ATOM    285 2HG  GLU A  16      21.678  11.510   2.102  1.00  1.640          H  
ATOM    286  N   ALA A  17      21.442  13.498   6.645  1.00  0.920          N  
ATOM    287  CA  ALA A  17      21.435  14.441   7.757  1.00  1.100          C  
ATOM    288  C   ALA A  17      21.506  13.765   9.130  1.00  0.910          C  
ATOM    289  O   ALA A  17      22.103  14.305  10.064  1.00  1.030          O  
ATOM    290  CB  ALA A  17      20.182  15.294   7.682  1.00  1.470          C  
ATOM    291  H   ALA A  17      20.624  12.910   6.505  1.00  1.100          H  
ATOM    292  HA  ALA A  17      22.309  15.082   7.659  1.00  1.320          H  
ATOM    293 1HB  ALA A  17      20.189  16.023   8.492  1.00  1.760          H  
ATOM    294 2HB  ALA A  17      20.155  15.809   6.725  1.00  1.760          H  
ATOM    295 3HB  ALA A  17      19.311  14.659   7.770  1.00  1.760          H  
ATOM    296  N   PHE A  18      20.869  12.604   9.265  1.00  0.660          N  
ATOM    297  CA  PHE A  18      20.747  11.947  10.560  1.00  0.550          C  
ATOM    298  C   PHE A  18      21.637  10.706  10.740  1.00  0.400          C  
ATOM    299  O   PHE A  18      21.966  10.049   9.760  1.00  0.350          O  
ATOM    300  CB  PHE A  18      19.291  11.562  10.771  1.00  0.810          C  
ATOM    301  CG  PHE A  18      18.421  12.736  10.999  1.00  0.810          C  
ATOM    302  CD1 PHE A  18      17.862  13.418   9.939  1.00  0.810          C  
ATOM    303  CD2 PHE A  18      18.158  13.172  12.281  1.00  0.810          C  
ATOM    304  CE1 PHE A  18      17.062  14.514  10.145  1.00  0.810          C  
ATOM    305  CE2 PHE A  18      17.352  14.265  12.496  1.00  0.810          C  
ATOM    306  CZ  PHE A  18      16.804  14.938  11.422  1.00  0.810          C  
ATOM    307  H   PHE A  18      20.408  12.201   8.451  1.00  0.790          H  
ATOM    308  HA  PHE A  18      20.969  12.703  11.293  1.00  0.660          H  
ATOM    309 1HB  PHE A  18      18.937  11.063   9.890  1.00  0.980          H  
ATOM    310 2HB  PHE A  18      19.196  10.879  11.594  1.00  0.980          H  
ATOM    311  HD1 PHE A  18      18.062  13.083   8.930  1.00  0.980          H  
ATOM    312  HD2 PHE A  18      18.595  12.645  13.131  1.00  0.980          H  
ATOM    313  HE1 PHE A  18      16.628  15.044   9.295  1.00  0.980          H  
ATOM    314  HE2 PHE A  18      17.150  14.605  13.514  1.00  0.980          H  
ATOM    315  HZ  PHE A  18      16.167  15.805  11.592  1.00  0.980          H  
ATOM    316  N   PRO A  19      22.114  10.427  11.977  1.00  0.510          N  
ATOM    317  CA  PRO A  19      22.813   9.220  12.405  1.00  0.620          C  
ATOM    318  C   PRO A  19      21.946   7.983  12.244  1.00  0.630          C  
ATOM    319  O   PRO A  19      20.727   8.060  12.398  1.00  0.580          O  
ATOM    320  CB  PRO A  19      23.097   9.485  13.889  1.00  0.930          C  
ATOM    321  CG  PRO A  19      23.091  10.976  14.031  1.00  0.930          C  
ATOM    322  CD  PRO A  19      22.065  11.469  13.042  1.00  0.930          C  
ATOM    323  HA  PRO A  19      23.746   9.119  11.832  1.00  0.740          H  
ATOM    324 1HB  PRO A  19      22.325   9.008  14.511  1.00  1.120          H  
ATOM    325 2HB  PRO A  19      24.059   9.036  14.175  1.00  1.120          H  
ATOM    326 1HG  PRO A  19      22.836  11.252  15.068  1.00  1.120          H  
ATOM    327 2HG  PRO A  19      24.093  11.381  13.833  1.00  1.120          H  
ATOM    328 1HD  PRO A  19      21.065  11.535  13.499  1.00  1.120          H  
ATOM    329 2HD  PRO A  19      22.451  12.438  12.694  1.00  1.120          H  
ATOM    330  N   ALA A  20      22.585   6.830  12.032  1.00  0.750          N  
ATOM    331  CA  ALA A  20      21.880   5.552  11.881  1.00  0.820          C  
ATOM    332  C   ALA A  20      20.873   5.287  12.993  1.00  0.840          C  
ATOM    333  O   ALA A  20      19.804   4.734  12.730  1.00  0.820          O  
ATOM    334  CB  ALA A  20      22.873   4.413  11.839  1.00  1.120          C  
ATOM    335  H   ALA A  20      23.591   6.844  11.928  1.00  0.900          H  
ATOM    336  HA  ALA A  20      21.342   5.574  10.944  1.00  0.980          H  
ATOM    337 1HB  ALA A  20      22.337   3.480  11.685  1.00  1.340          H  
ATOM    338 2HB  ALA A  20      23.570   4.570  11.017  1.00  1.340          H  
ATOM    339 3HB  ALA A  20      23.421   4.369  12.777  1.00  1.340          H  
ATOM    340  N   SER A  21      21.197   5.661  14.232  1.00  0.920          N  
ATOM    341  CA  SER A  21      20.294   5.417  15.346  1.00  1.000          C  
ATOM    342  C   SER A  21      18.965   6.136  15.154  1.00  0.890          C  
ATOM    343  O   SER A  21      17.900   5.597  15.487  1.00  0.970          O  
ATOM    344  CB  SER A  21      20.926   5.891  16.643  1.00  1.370          C  
ATOM    345  OG  SER A  21      22.065   5.134  16.970  1.00  1.370          O  
ATOM    346  H   SER A  21      22.086   6.105  14.417  1.00  1.100          H  
ATOM    347  HA  SER A  21      20.098   4.348  15.408  1.00  1.200          H  
ATOM    348 1HB  SER A  21      21.198   6.945  16.546  1.00  1.640          H  
ATOM    349 2HB  SER A  21      20.195   5.819  17.445  1.00  1.640          H  
ATOM    350  HG  SER A  21      22.380   5.481  17.812  1.00  1.640          H  
ATOM    351  N   HIS A  22      19.031   7.355  14.619  1.00  0.780          N  
ATOM    352  CA  HIS A  22      17.864   8.183  14.418  1.00  0.730          C  
ATOM    353  C   HIS A  22      17.089   7.678  13.237  1.00  0.580          C  
ATOM    354  O   HIS A  22      15.858   7.683  13.257  1.00  0.540          O  
ATOM    355  CB  HIS A  22      18.272   9.637  14.192  1.00  1.040          C  
ATOM    356  CG  HIS A  22      18.760  10.320  15.409  1.00  1.040          C  
ATOM    357  ND1 HIS A  22      20.038  10.159  15.897  1.00  1.040          N  
ATOM    358  CD2 HIS A  22      18.144  11.183  16.245  1.00  1.040          C  
ATOM    359  CE1 HIS A  22      20.186  10.890  16.984  1.00  1.040          C  
ATOM    360  NE2 HIS A  22      19.051  11.523  17.217  1.00  1.040          N  
ATOM    361  H   HIS A  22      19.925   7.724  14.306  1.00  0.940          H  
ATOM    362  HA  HIS A  22      17.221   8.136  15.295  1.00  0.880          H  
ATOM    363 1HB  HIS A  22      19.073   9.661  13.468  1.00  1.250          H  
ATOM    364 2HB  HIS A  22      17.435  10.200  13.782  1.00  1.250          H  
ATOM    365  HD2 HIS A  22      17.118  11.543  16.162  1.00  1.250          H  
ATOM    366  HE1 HIS A  22      21.092  10.961  17.585  1.00  1.250          H  
ATOM    367  HE2 HIS A  22      18.874  12.157  17.987  1.00  1.250          H  
ATOM    368  N   LEU A  23      17.805   7.237  12.208  1.00  0.570          N  
ATOM    369  CA  LEU A  23      17.169   6.736  11.003  1.00  0.560          C  
ATOM    370  C   LEU A  23      16.384   5.464  11.307  1.00  0.620          C  
ATOM    371  O   LEU A  23      15.276   5.275  10.797  1.00  0.650          O  
ATOM    372  CB  LEU A  23      18.247   6.488   9.954  1.00  0.790          C  
ATOM    373  CG  LEU A  23      18.960   7.769   9.448  1.00  0.790          C  
ATOM    374  CD1 LEU A  23      20.165   7.374   8.620  1.00  0.790          C  
ATOM    375  CD2 LEU A  23      17.989   8.643   8.625  1.00  0.790          C  
ATOM    376  H   LEU A  23      18.826   7.304  12.270  1.00  0.680          H  
ATOM    377  HA  LEU A  23      16.466   7.479  10.649  1.00  0.670          H  
ATOM    378 1HB  LEU A  23      18.994   5.828  10.380  1.00  0.950          H  
ATOM    379 2HB  LEU A  23      17.793   5.991   9.098  1.00  0.950          H  
ATOM    380  HG  LEU A  23      19.320   8.340  10.301  1.00  0.950          H  
ATOM    381 1HD1 LEU A  23      20.694   8.270   8.304  1.00  0.950          H  
ATOM    382 2HD1 LEU A  23      20.837   6.786   9.207  1.00  0.950          H  
ATOM    383 3HD1 LEU A  23      19.848   6.801   7.751  1.00  0.950          H  
ATOM    384 1HD2 LEU A  23      18.521   9.515   8.302  1.00  0.950          H  
ATOM    385 2HD2 LEU A  23      17.629   8.091   7.751  1.00  0.950          H  
ATOM    386 3HD2 LEU A  23      17.144   8.956   9.221  1.00  0.950          H  
ATOM    387  N   ARG A  24      16.932   4.590  12.160  1.00  0.680          N  
ATOM    388  CA  ARG A  24      16.197   3.390  12.527  1.00  0.760          C  
ATOM    389  C   ARG A  24      14.924   3.757  13.296  1.00  0.690          C  
ATOM    390  O   ARG A  24      13.839   3.235  12.997  1.00  0.690          O  
ATOM    391  CB  ARG A  24      17.061   2.452  13.360  1.00  1.030          C  
ATOM    392  CG  ARG A  24      18.176   1.733  12.582  1.00  1.030          C  
ATOM    393  CD  ARG A  24      18.783   0.611  13.365  1.00  1.030          C  
ATOM    394  NE  ARG A  24      19.503   1.069  14.567  1.00  1.030          N  
ATOM    395  CZ  ARG A  24      20.814   1.428  14.626  1.00  1.030          C  
ATOM    396  NH1 ARG A  24      21.584   1.392  13.558  1.00  1.030          N  
ATOM    397  NH2 ARG A  24      21.328   1.809  15.785  1.00  1.030          N  
ATOM    398  H   ARG A  24      17.878   4.753  12.519  1.00  0.820          H  
ATOM    399  HA  ARG A  24      15.911   2.870  11.615  1.00  0.910          H  
ATOM    400 1HB  ARG A  24      17.540   3.028  14.156  1.00  1.240          H  
ATOM    401 2HB  ARG A  24      16.432   1.700  13.830  1.00  1.240          H  
ATOM    402 1HG  ARG A  24      17.760   1.320  11.664  1.00  1.240          H  
ATOM    403 2HG  ARG A  24      18.958   2.439  12.332  1.00  1.240          H  
ATOM    404 1HD  ARG A  24      17.988  -0.060  13.689  1.00  1.240          H  
ATOM    405 2HD  ARG A  24      19.473   0.056  12.735  1.00  1.240          H  
ATOM    406  HE  ARG A  24      18.976   1.112  15.428  1.00  1.240          H  
ATOM    407 1HH1 ARG A  24      21.211   1.101  12.668  1.00  1.240          H  
ATOM    408 2HH1 ARG A  24      22.560   1.642  13.639  1.00  1.240          H  
ATOM    409 1HH2 ARG A  24      20.747   1.834  16.612  1.00  1.240          H  
ATOM    410 2HH2 ARG A  24      22.300   2.076  15.846  1.00  1.240          H  
ATOM    411  N   LYS A  25      15.041   4.696  14.255  1.00  0.640          N  
ATOM    412  CA  LYS A  25      13.880   5.129  15.024  1.00  0.590          C  
ATOM    413  C   LYS A  25      12.840   5.772  14.123  1.00  0.510          C  
ATOM    414  O   LYS A  25      11.645   5.532  14.296  1.00  0.480          O  
ATOM    415  CB  LYS A  25      14.280   6.102  16.133  1.00  0.850          C  
ATOM    416  CG  LYS A  25      15.042   5.467  17.294  1.00  0.850          C  
ATOM    417  CD  LYS A  25      15.440   6.514  18.338  1.00  0.850          C  
ATOM    418  CE  LYS A  25      16.209   5.886  19.494  1.00  0.850          C  
ATOM    419  NZ  LYS A  25      16.628   6.904  20.502  1.00  0.850          N  
ATOM    420  H   LYS A  25      15.962   5.087  14.484  1.00  0.770          H  
ATOM    421  HA  LYS A  25      13.425   4.252  15.482  1.00  0.710          H  
ATOM    422 1HB  LYS A  25      14.909   6.885  15.709  1.00  1.020          H  
ATOM    423 2HB  LYS A  25      13.388   6.581  16.534  1.00  1.020          H  
ATOM    424 1HG  LYS A  25      14.413   4.714  17.765  1.00  1.020          H  
ATOM    425 2HG  LYS A  25      15.934   4.977  16.916  1.00  1.020          H  
ATOM    426 1HD  LYS A  25      16.074   7.268  17.864  1.00  1.020          H  
ATOM    427 2HD  LYS A  25      14.548   7.002  18.726  1.00  1.020          H  
ATOM    428 1HE  LYS A  25      15.578   5.145  19.981  1.00  1.020          H  
ATOM    429 2HE  LYS A  25      17.098   5.391  19.101  1.00  1.020          H  
ATOM    430 1HZ  LYS A  25      17.136   6.451  21.250  1.00  1.020          H  
ATOM    431 2HZ  LYS A  25      17.224   7.589  20.058  1.00  1.020          H  
ATOM    432 3HZ  LYS A  25      15.812   7.363  20.881  1.00  1.020          H  
ATOM    433  N   LEU A  26      13.298   6.560  13.142  1.00  0.500          N  
ATOM    434  CA  LEU A  26      12.440   7.238  12.190  1.00  0.490          C  
ATOM    435  C   LEU A  26      11.617   6.249  11.408  1.00  0.480          C  
ATOM    436  O   LEU A  26      10.392   6.345  11.371  1.00  0.460          O  
ATOM    437  CB  LEU A  26      13.309   8.018  11.191  1.00  0.690          C  
ATOM    438  CG  LEU A  26      12.632   8.738  10.011  1.00  0.690          C  
ATOM    439  CD1 LEU A  26      11.727   9.870  10.491  1.00  0.690          C  
ATOM    440  CD2 LEU A  26      13.719   9.226   9.103  1.00  0.690          C  
ATOM    441  H   LEU A  26      14.301   6.736  13.086  1.00  0.600          H  
ATOM    442  HA  LEU A  26      11.784   7.911  12.734  1.00  0.590          H  
ATOM    443 1HB  LEU A  26      13.878   8.758  11.751  1.00  0.830          H  
ATOM    444 2HB  LEU A  26      14.012   7.331  10.764  1.00  0.830          H  
ATOM    445  HG  LEU A  26      12.017   8.035   9.466  1.00  0.830          H  
ATOM    446 1HD1 LEU A  26      11.269  10.357   9.628  1.00  0.830          H  
ATOM    447 2HD1 LEU A  26      10.946   9.475  11.136  1.00  0.830          H  
ATOM    448 3HD1 LEU A  26      12.319  10.599  11.041  1.00  0.830          H  
ATOM    449 1HD2 LEU A  26      13.278   9.726   8.240  1.00  0.830          H  
ATOM    450 2HD2 LEU A  26      14.347   9.911   9.644  1.00  0.830          H  
ATOM    451 3HD2 LEU A  26      14.317   8.377   8.781  1.00  0.830          H  
ATOM    452  N   ARG A  27      12.261   5.241  10.818  1.00  0.550          N  
ATOM    453  CA  ARG A  27      11.490   4.312  10.015  1.00  0.610          C  
ATOM    454  C   ARG A  27      10.411   3.642  10.846  1.00  0.590          C  
ATOM    455  O   ARG A  27       9.278   3.493  10.379  1.00  0.680          O  
ATOM    456  CB  ARG A  27      12.386   3.276   9.365  1.00  0.830          C  
ATOM    457  CG  ARG A  27      13.270   3.850   8.268  1.00  0.830          C  
ATOM    458  CD  ARG A  27      14.167   2.852   7.651  1.00  0.830          C  
ATOM    459  NE  ARG A  27      13.452   1.908   6.771  1.00  0.830          N  
ATOM    460  CZ  ARG A  27      13.867   0.669   6.455  1.00  0.830          C  
ATOM    461  NH1 ARG A  27      14.983   0.159   6.958  1.00  0.830          N  
ATOM    462  NH2 ARG A  27      13.133  -0.026   5.622  1.00  0.830          N  
ATOM    463  H   ARG A  27      13.281   5.164  10.898  1.00  0.660          H  
ATOM    464  HA  ARG A  27      11.006   4.875   9.218  1.00  0.730          H  
ATOM    465 1HB  ARG A  27      13.038   2.840  10.126  1.00  1.000          H  
ATOM    466 2HB  ARG A  27      11.783   2.475   8.940  1.00  1.000          H  
ATOM    467 1HG  ARG A  27      12.625   4.239   7.484  1.00  1.000          H  
ATOM    468 2HG  ARG A  27      13.878   4.657   8.678  1.00  1.000          H  
ATOM    469 1HD  ARG A  27      14.917   3.370   7.055  1.00  1.000          H  
ATOM    470 2HD  ARG A  27      14.655   2.292   8.445  1.00  1.000          H  
ATOM    471  HE  ARG A  27      12.576   2.217   6.298  1.00  1.000          H  
ATOM    472 1HH1 ARG A  27      15.548   0.696   7.595  1.00  1.000          H  
ATOM    473 2HH1 ARG A  27      15.271  -0.774   6.701  1.00  1.000          H  
ATOM    474 1HH2 ARG A  27      12.277   0.419   5.232  1.00  1.000          H  
ATOM    475 2HH2 ARG A  27      13.403  -0.954   5.348  1.00  1.000          H  
ATOM    476  N   LYS A  28      10.729   3.268  12.090  1.00  0.520          N  
ATOM    477  CA  LYS A  28       9.709   2.639  12.913  1.00  0.520          C  
ATOM    478  C   LYS A  28       8.599   3.635  13.246  1.00  0.430          C  
ATOM    479  O   LYS A  28       7.411   3.332  13.091  1.00  0.500          O  
ATOM    480  CB  LYS A  28      10.334   2.093  14.194  1.00  0.730          C  
ATOM    481  CG  LYS A  28      11.237   0.887  13.974  1.00  0.730          C  
ATOM    482  CD  LYS A  28      11.867   0.410  15.276  1.00  0.730          C  
ATOM    483  CE  LYS A  28      12.791  -0.784  15.036  1.00  0.730          C  
ATOM    484  NZ  LYS A  28      13.446  -1.249  16.295  1.00  0.730          N  
ATOM    485  H   LYS A  28      11.689   3.388  12.438  1.00  0.620          H  
ATOM    486  HA  LYS A  28       9.268   1.817  12.352  1.00  0.620          H  
ATOM    487 1HB  LYS A  28      10.932   2.879  14.662  1.00  0.870          H  
ATOM    488 2HB  LYS A  28       9.549   1.815  14.893  1.00  0.870          H  
ATOM    489 1HG  LYS A  28      10.656   0.078  13.534  1.00  0.870          H  
ATOM    490 2HG  LYS A  28      12.031   1.162  13.275  1.00  0.870          H  
ATOM    491 1HD  LYS A  28      12.451   1.226  15.710  1.00  0.870          H  
ATOM    492 2HD  LYS A  28      11.088   0.126  15.980  1.00  0.870          H  
ATOM    493 1HE  LYS A  28      12.212  -1.605  14.616  1.00  0.870          H  
ATOM    494 2HE  LYS A  28      13.566  -0.497  14.324  1.00  0.870          H  
ATOM    495 1HZ  LYS A  28      14.047  -2.037  16.093  1.00  0.870          H  
ATOM    496 2HZ  LYS A  28      13.997  -0.498  16.686  1.00  0.870          H  
ATOM    497 3HZ  LYS A  28      12.741  -1.531  16.961  1.00  0.870          H  
ATOM    498  N   ARG A  29       8.980   4.843  13.668  1.00  0.370          N  
ATOM    499  CA  ARG A  29       8.020   5.857  14.058  1.00  0.450          C  
ATOM    500  C   ARG A  29       7.044   6.187  12.953  1.00  0.600          C  
ATOM    501  O   ARG A  29       5.854   6.378  13.217  1.00  0.800          O  
ATOM    502  CB  ARG A  29       8.726   7.137  14.493  1.00  0.600          C  
ATOM    503  CG  ARG A  29       7.795   8.318  14.835  1.00  0.600          C  
ATOM    504  CD  ARG A  29       6.940   8.052  16.026  1.00  0.600          C  
ATOM    505  NE  ARG A  29       6.011   9.136  16.269  1.00  0.600          N  
ATOM    506  CZ  ARG A  29       4.806   9.271  15.654  1.00  0.600          C  
ATOM    507  NH1 ARG A  29       4.409   8.388  14.750  1.00  0.600          N  
ATOM    508  NH2 ARG A  29       4.021  10.295  15.960  1.00  0.600          N  
ATOM    509  H   ARG A  29       9.975   5.056  13.755  1.00  0.440          H  
ATOM    510  HA  ARG A  29       7.466   5.466  14.903  1.00  0.540          H  
ATOM    511 1HB  ARG A  29       9.346   6.930  15.364  1.00  0.720          H  
ATOM    512 2HB  ARG A  29       9.393   7.464  13.693  1.00  0.720          H  
ATOM    513 1HG  ARG A  29       8.412   9.185  15.064  1.00  0.720          H  
ATOM    514 2HG  ARG A  29       7.161   8.557  13.983  1.00  0.720          H  
ATOM    515 1HD  ARG A  29       6.365   7.143  15.899  1.00  0.720          H  
ATOM    516 2HD  ARG A  29       7.576   7.950  16.904  1.00  0.720          H  
ATOM    517  HE  ARG A  29       6.273   9.834  16.952  1.00  0.720          H  
ATOM    518 1HH1 ARG A  29       4.997   7.591  14.478  1.00  0.720          H  
ATOM    519 2HH1 ARG A  29       3.494   8.488  14.275  1.00  0.720          H  
ATOM    520 1HH2 ARG A  29       4.316  10.972  16.647  1.00  0.720          H  
ATOM    521 2HH2 ARG A  29       3.123  10.395  15.501  1.00  0.720          H  
ATOM    522  N   LEU A  30       7.547   6.259  11.725  1.00  0.600          N  
ATOM    523  CA  LEU A  30       6.730   6.578  10.580  1.00  0.800          C  
ATOM    524  C   LEU A  30       5.798   5.431  10.203  1.00  0.870          C  
ATOM    525  O   LEU A  30       4.587   5.626  10.078  1.00  1.000          O  
ATOM    526  CB  LEU A  30       7.634   6.834   9.374  1.00  1.040          C  
ATOM    527  CG  LEU A  30       8.552   8.065   9.335  1.00  1.040          C  
ATOM    528  CD1 LEU A  30       9.491   7.914   8.122  1.00  1.040          C  
ATOM    529  CD2 LEU A  30       7.742   9.340   9.219  1.00  1.040          C  
ATOM    530  H   LEU A  30       8.556   6.126  11.605  1.00  0.720          H  
ATOM    531  HA  LEU A  30       6.126   7.452  10.812  1.00  0.960          H  
ATOM    532 1HB  LEU A  30       8.267   5.954   9.238  1.00  1.250          H  
ATOM    533 2HB  LEU A  30       7.012   6.907   8.568  1.00  1.250          H  
ATOM    534  HG  LEU A  30       9.146   8.104  10.234  1.00  1.250          H  
ATOM    535 1HD1 LEU A  30      10.163   8.758   8.073  1.00  1.250          H  
ATOM    536 2HD1 LEU A  30      10.072   6.999   8.220  1.00  1.250          H  
ATOM    537 3HD1 LEU A  30       8.908   7.870   7.213  1.00  1.250          H  
ATOM    538 1HD2 LEU A  30       8.422  10.191   9.182  1.00  1.250          H  
ATOM    539 2HD2 LEU A  30       7.147   9.318   8.315  1.00  1.250          H  
ATOM    540 3HD2 LEU A  30       7.087   9.442  10.079  1.00  1.250          H  
ATOM    541  N   LEU A  31       6.337   4.208  10.121  1.00  0.830          N  
ATOM    542  CA  LEU A  31       5.561   3.047   9.701  1.00  0.970          C  
ATOM    543  C   LEU A  31       4.416   2.748  10.638  1.00  0.930          C  
ATOM    544  O   LEU A  31       3.350   2.322  10.195  1.00  1.010          O  
ATOM    545  CB  LEU A  31       6.476   1.828   9.548  1.00  1.300          C  
ATOM    546  CG  LEU A  31       7.470   1.875   8.344  1.00  1.300          C  
ATOM    547  CD1 LEU A  31       8.468   0.733   8.467  1.00  1.300          C  
ATOM    548  CD2 LEU A  31       6.706   1.745   7.016  1.00  1.300          C  
ATOM    549  H   LEU A  31       7.338   4.090  10.298  1.00  1.000          H  
ATOM    550  HA  LEU A  31       5.125   3.273   8.740  1.00  1.160          H  
ATOM    551 1HB  LEU A  31       7.072   1.740  10.461  1.00  1.560          H  
ATOM    552 2HB  LEU A  31       5.863   0.938   9.449  1.00  1.560          H  
ATOM    553  HG  LEU A  31       8.013   2.819   8.355  1.00  1.560          H  
ATOM    554 1HD1 LEU A  31       9.168   0.773   7.629  1.00  1.560          H  
ATOM    555 2HD1 LEU A  31       9.020   0.835   9.404  1.00  1.560          H  
ATOM    556 3HD1 LEU A  31       7.942  -0.220   8.455  1.00  1.560          H  
ATOM    557 1HD2 LEU A  31       7.426   1.783   6.203  1.00  1.560          H  
ATOM    558 2HD2 LEU A  31       6.171   0.798   6.993  1.00  1.560          H  
ATOM    559 3HD2 LEU A  31       6.013   2.532   6.890  1.00  1.560          H  
ATOM    560  N   ARG A  32       4.585   3.041  11.918  1.00  0.890          N  
ATOM    561  CA  ARG A  32       3.535   2.801  12.895  1.00  0.940          C  
ATOM    562  C   ARG A  32       2.219   3.518  12.557  1.00  0.960          C  
ATOM    563  O   ARG A  32       1.162   3.070  13.000  1.00  1.000          O  
ATOM    564  CB  ARG A  32       4.018   3.197  14.276  1.00  1.300          C  
ATOM    565  CG  ARG A  32       5.043   2.233  14.864  1.00  1.300          C  
ATOM    566  CD  ARG A  32       5.663   2.752  16.097  1.00  1.300          C  
ATOM    567  NE  ARG A  32       6.700   1.856  16.588  1.00  1.300          N  
ATOM    568  CZ  ARG A  32       7.598   2.155  17.550  1.00  1.300          C  
ATOM    569  NH1 ARG A  32       7.584   3.336  18.136  1.00  1.300          N  
ATOM    570  NH2 ARG A  32       8.497   1.253  17.906  1.00  1.300          N  
ATOM    571  H   ARG A  32       5.505   3.365  12.236  1.00  1.070          H  
ATOM    572  HA  ARG A  32       3.343   1.734  12.924  1.00  1.130          H  
ATOM    573 1HB  ARG A  32       4.481   4.186  14.227  1.00  1.560          H  
ATOM    574 2HB  ARG A  32       3.174   3.259  14.960  1.00  1.560          H  
ATOM    575 1HG  ARG A  32       4.523   1.315  15.135  1.00  1.560          H  
ATOM    576 2HG  ARG A  32       5.802   1.989  14.146  1.00  1.560          H  
ATOM    577 1HD  ARG A  32       6.114   3.717  15.877  1.00  1.560          H  
ATOM    578 2HD  ARG A  32       4.904   2.864  16.870  1.00  1.560          H  
ATOM    579  HE  ARG A  32       6.752   0.937  16.168  1.00  1.560          H  
ATOM    580 1HH1 ARG A  32       6.898   4.024  17.872  1.00  1.560          H  
ATOM    581 2HH1 ARG A  32       8.259   3.551  18.858  1.00  1.560          H  
ATOM    582 1HH2 ARG A  32       8.505   0.345  17.462  1.00  1.560          H  
ATOM    583 2HH2 ARG A  32       9.171   1.467  18.626  1.00  1.560          H  
ATOM    584  N   ASP A  33       2.260   4.629  11.801  1.00  0.990          N  
ATOM    585  CA  ASP A  33       1.029   5.343  11.450  1.00  1.100          C  
ATOM    586  C   ASP A  33       0.524   4.988  10.044  1.00  1.120          C  
ATOM    587  O   ASP A  33      -0.393   5.631   9.527  1.00  1.290          O  
ATOM    588  CB  ASP A  33       1.229   6.860  11.533  1.00  1.500          C  
ATOM    589  CG  ASP A  33       1.461   7.398  12.956  1.00  1.500          C  
ATOM    590  OD1 ASP A  33       0.923   6.867  13.900  1.00  1.500          O  
ATOM    591  OD2 ASP A  33       2.170   8.374  13.072  1.00  1.500          O  
ATOM    592  H   ASP A  33       3.148   4.975  11.421  1.00  1.190          H  
ATOM    593  HA  ASP A  33       0.256   5.062  12.164  1.00  1.320          H  
ATOM    594 1HB  ASP A  33       2.097   7.127  10.919  1.00  1.800          H  
ATOM    595 2HB  ASP A  33       0.362   7.365  11.107  1.00  1.800          H  
ATOM    596  N   ALA A  34       1.159   4.015   9.398  1.00  1.050          N  
ATOM    597  CA  ALA A  34       0.787   3.591   8.052  1.00  1.150          C  
ATOM    598  C   ALA A  34      -0.542   2.852   8.016  1.00  1.080          C  
ATOM    599  O   ALA A  34      -0.778   1.942   8.806  1.00  0.980          O  
ATOM    600  CB  ALA A  34       1.856   2.664   7.490  1.00  1.570          C  
ATOM    601  H   ALA A  34       1.920   3.515   9.865  1.00  1.260          H  
ATOM    602  HA  ALA A  34       0.696   4.481   7.435  1.00  1.380          H  
ATOM    603 1HB  ALA A  34       1.591   2.360   6.494  1.00  1.880          H  
ATOM    604 2HB  ALA A  34       2.816   3.167   7.477  1.00  1.880          H  
ATOM    605 3HB  ALA A  34       1.930   1.783   8.123  1.00  1.880          H  
ATOM    606  N   ASP A  35      -1.324   3.057   6.961  1.00  1.210          N  
ATOM    607  CA  ASP A  35      -2.568   2.301   6.810  1.00  1.210          C  
ATOM    608  C   ASP A  35      -2.273   0.959   6.154  1.00  1.170          C  
ATOM    609  O   ASP A  35      -3.163   0.139   5.934  1.00  1.680          O  
ATOM    610  CB  ASP A  35      -3.575   3.054   5.954  1.00  1.690          C  
ATOM    611  CG  ASP A  35      -4.080   4.348   6.588  1.00  1.690          C  
ATOM    612  OD1 ASP A  35      -4.087   4.460   7.789  1.00  1.690          O  
ATOM    613  OD2 ASP A  35      -4.445   5.227   5.843  1.00  1.690          O  
ATOM    614  H   ASP A  35      -1.122   3.812   6.312  1.00  1.450          H  
ATOM    615  HA  ASP A  35      -2.998   2.124   7.798  1.00  1.450          H  
ATOM    616 1HB  ASP A  35      -3.149   3.257   4.990  1.00  2.030          H  
ATOM    617 2HB  ASP A  35      -4.437   2.410   5.784  1.00  2.030          H  
ATOM    618  N   ASP A  36      -1.001   0.755   5.840  1.00  1.280          N  
ATOM    619  CA  ASP A  36      -0.490  -0.452   5.225  1.00  1.450          C  
ATOM    620  C   ASP A  36       0.107  -1.381   6.283  1.00  2.120          C  
ATOM    621  O   ASP A  36       0.691  -2.409   5.933  1.00  2.830          O  
ATOM    622  CB  ASP A  36       0.624  -0.117   4.228  1.00  1.960          C  
ATOM    623  CG  ASP A  36       0.199   0.692   2.969  1.00  1.960          C  
ATOM    624  OD1 ASP A  36      -0.763   0.378   2.303  1.00  1.960          O  
ATOM    625  OD2 ASP A  36       0.920   1.622   2.658  1.00  1.960          O  
ATOM    626  H   ASP A  36      -0.352   1.486   6.075  1.00  1.540          H  
ATOM    627  HA  ASP A  36      -1.307  -0.969   4.720  1.00  1.740          H  
ATOM    628 1HB  ASP A  36       1.400   0.442   4.750  1.00  2.350          H  
ATOM    629 2HB  ASP A  36       1.082  -1.048   3.892  1.00  2.350          H  
ATOM    630  N   LEU A  37      -0.004  -1.017   7.570  1.00  2.480          N  
ATOM    631  CA  LEU A  37       0.571  -1.841   8.625  1.00  3.570          C  
ATOM    632  C   LEU A  37      -0.489  -2.288   9.630  1.00  4.210          C  
ATOM    633  O   LEU A  37      -1.057  -3.372   9.493  1.00  4.840          O  
ATOM    634  OXT LEU A  37      -0.649  -1.650  10.670  1.00  5.350          O  
ATOM    635  CB  LEU A  37       1.696  -1.057   9.325  1.00  4.170          C  
ATOM    636  CG  LEU A  37       2.425  -1.735  10.521  1.00  4.170          C  
ATOM    637  CD1 LEU A  37       3.214  -2.960  10.045  1.00  4.170          C  
ATOM    638  CD2 LEU A  37       3.348  -0.704  11.150  1.00  4.170          C  
ATOM    639  H   LEU A  37      -0.480  -0.150   7.840  1.00  2.980          H  
ATOM    640  HA  LEU A  37       0.996  -2.730   8.166  1.00  4.280          H  
ATOM    641 1HB  LEU A  37       2.449  -0.810   8.580  1.00  5.000          H  
ATOM    642 2HB  LEU A  37       1.271  -0.116   9.695  1.00  5.000          H  
ATOM    643  HG  LEU A  37       1.697  -2.064  11.260  1.00  5.000          H  
ATOM    644 1HD1 LEU A  37       3.721  -3.414  10.895  1.00  5.000          H  
ATOM    645 2HD1 LEU A  37       2.535  -3.688   9.605  1.00  5.000          H  
ATOM    646 3HD1 LEU A  37       3.948  -2.652   9.304  1.00  5.000          H  
ATOM    647 1HD2 LEU A  37       3.865  -1.137  12.004  1.00  5.000          H  
ATOM    648 2HD2 LEU A  37       4.074  -0.367  10.416  1.00  5.000          H  
ATOM    649 3HD2 LEU A  37       2.738   0.134  11.471  1.00  5.000          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 -199.839 19.3801 162.728 -15.6451 3.55025 11.2785 84.6196 -88.3472 -0.29597 -1.48401 -79.365 -9.28698 -32.0352 0 -1.96251 -3.92521 0 0.53576 1.78231 24.4818 34.8911 -4.60351 0.60418 -16.0259 -8.78275 16.6566 -101.09
ASP:NtermProteinFull_1 -2.61422 0.12179 3.90007 -0.27766 0.17702 0.94921 1.83085 -1.76673 -0 -0 -2.70255 -4.2651 0 0 -0.51535 0 0 0.01955 0.25743 0 2.34751 0 0 -2.3716 0 0.37003 -4.53975
TRP_2 -5.98076 0.52707 2.9154 -1.45146 0.17824 0.73526 1.88322 -2.06777 -0.00507 -0.01585 -1.42941 -0.19436 0 0 0 0 0 0.04019 0.00018 0 1.73794 -0.17165 0 1.6906 -0.05822 0.59732 -1.06913
PHE_3 -9.806 1.32042 4.86799 -0.61544 0.03094 0.28407 3.47558 -3.35366 -0 -0 -3.70829 0.0742 0 0 -0.4659 0 0 0.02858 0.00125 0 2.45121 0.07182 0 1.0402 -0.1109 0.4658 -3.94813
LYS_4 -5.33362 0.31891 6.44413 -0.81706 0.1052 0.78353 2.79552 -2.90222 -0.03965 -0.12127 -3.02436 0.18322 0 0 0 -0.70966 0 0.00036 0.13181 2.87481 0 0.06008 0 -1.5107 -0.05877 0.45093 -0.36882
ALA_5 -4.01932 0.19995 4.42742 -0.02078 0 0 2.17596 -2.28632 -0 -0 -1.9035 -0.34862 0 0 0 0 0 -0.01583 0 0 0 -0.09591 0 1.8394 -0.0778 0.29248 0.16712
PHE_6 -7.87109 0.75837 3.89542 -0.94334 0.05506 0.30694 2.75337 -2.72665 -0 -0 -2.50972 -0.0212 0 0 0 0 0 -0.00263 0.03224 0 1.83768 -0.41113 0 1.0402 -0.04028 0.23101 -3.61575
TYR_7 -11.3649 1.55687 4.4475 -0.56492 0.41723 0.27252 3.0286 -3.5124 -0 -0 -2.47692 -0.28908 0 0 0 0 0 0.25071 0.00157 0 2.89627 0.17915 0.00212 1.2797 -0.09468 0.6606 -3.31005
ASP_8 -5.59924 0.2539 8.55279 -0.10426 0.01087 0.31815 4.24907 -3.70264 -0 -0 -6.56515 -0.24423 0 0 0 -1.41947 0 0.16328 0.05113 0 1.71178 0.18393 0 -2.3716 -0.28041 0.75988 -4.03221
LYS_9 -5.5899 0.42263 6.41165 -0.30406 0.02717 0.13665 2.77622 -2.94841 -0.02034 -0.15747 -2.38917 -0.02809 0 0 0 0 0 0.08951 0.03745 1.7268 0 -0.04539 0 -1.5107 -0.42588 0.43622 -1.35511
VAL_10 -7.30494 0.67297 3.57647 -0.30463 0.20106 0.07041 3.03059 -2.77129 -0 -0 -2.18862 -0.14136 0 0 0 0 0 -0.00187 0.00842 0.04556 0 -0.27926 0 1.9342 -0.29822 0.39957 -3.35092
ALA_11 -5.79965 0.56229 4.1379 -0.02163 0 0 2.91969 -2.73194 -0 -0 -2.12363 -0.37136 0 0 0 0 0 0.06 0 0 0 -0.30437 0 1.8394 -0.29006 0.43478 -1.68858
GLU_12 -4.5577 0.34827 5.45074 -0.21367 0.0277 0.29407 2.17562 -2.48064 -0.04864 -0.27621 -1.12721 -0.59608 0 0 0 0 0 0.07823 0.00101 0 3.00234 -0.24839 0 -2.7348 -0.55505 0.37155 -1.08885
LYS_13 -3.65635 0.20811 4.17883 -0.29726 0.02647 0.12945 1.75993 -1.92561 -0 -0 -1.05026 -0.00773 0 0 0 0 0 0.08008 0.00755 1.74105 0 -0.00098 0 -1.5107 -0.50471 0.27238 -0.54975
PHE_14 -8.08933 0.96082 3.08288 -0.52701 0.20624 0.22311 3.27626 -2.66566 -0.01124 -0.07042 -3.63506 -0.10409 0 0 0 0 0 -0.04832 0.14614 0 4.05194 0.01065 0 1.0402 -0.30312 0.43029 -2.0257
LYS_15 -4.37883 0.61938 3.98664 -0.46605 0.12716 0.29414 2.32155 -2.09089 -0 -0 -1.08338 -0.22027 0 0 0 0 0 -0.08858 0.01696 1.71723 0 -0.05377 0 -1.5107 -0.01993 0.63664 -0.19272
GLU_16 -1.55135 0.13649 2.01299 -0.23068 0.0389 0.35863 0.37311 -0.92653 -0.0283 -0.11874 -0.06215 -0.59462 0 0 0 0 0 -0.05489 5e-05 0 2.96019 -0.10866 0 -2.7348 -0.21963 0.40998 -0.34001
ALA_17 -2.37326 0.21954 1.43809 -0.02235 0 0 1.27891 -1.06248 -0 -0 -0.89918 -0.31173 0 0 0 0 0 0.03034 0 0 0 0.53731 0 1.8394 0.24777 0.19592 1.11829
PHE_18 -6.05077 0.92769 1.99246 -0.61433 0.07912 0.29294 1.1789 -1.56658 -0.01124 -0.07042 -0.43366 0.24808 0 0 0 0 0 0.2683 0.05568 0 2.01631 -0.37996 0 1.0402 0.59972 0.91272 0.48517
PRO_19 -4.36836 0.62956 3.8803 -0.12398 0.00079 0.0912 2.27564 -1.67936 -0 -0 -1.96907 0.24716 0 0 0 0 0 -0.04278 0.01854 0.21602 0 -1.13797 0 -2.4119 -0.304 0.99932 -3.67889
ALA_20 -3.4995 0.34833 3.48487 -0.02318 0 0 1.5278 -1.84092 -0 -0 -1.34587 -0.36086 0 0 0 0 0 -0.07025 0 0 0 -0.3166 0 1.8394 -0.43193 0.3117 -0.377
SER_21 -3.82636 0.26709 4.48854 -0.02415 0 0.02202 1.4013 -2.08159 -0 -0 -1.20771 -0.39187 0 0 0 0 0 -0.057 0.00077 0.54937 0 0.27191 0.60206 -0.77834 -0.15657 0.1718 -0.74872
HIS_22 -5.94984 0.34551 5.55585 -0.40128 0.00035 0.45958 2.72631 -2.55393 -0 -0 -2.16247 -0.62566 0 0 0 0 0 -0.00773 0.02943 0 2.59138 -0.05959 0 -0.45461 -0.1083 0.1639 -0.4511
LEU_23 -8.59252 0.9469 4.9051 -0.4916 0.29454 0.11456 2.76177 -3.18635 -0 -0 -2.29073 0.23294 0 0 0 0 0 0.14364 0.11889 0.34125 0 -0.28348 0 0.18072 -0.17219 0.32422 -4.65234
ARG_24 -5.40329 0.27429 6.36009 -0.72521 0.08903 0.46096 2.33279 -2.99589 -0 -0 -2.24214 0.33637 0 0 0 0 0 0.0442 0.02762 1.45469 0 -0.02494 0 -1.2888 -0.27036 0.3685 -1.2021
LYS_25 -4.43417 0.17126 5.29321 -0.30076 0.0241 0.13139 2.53486 -2.41804 -0 -0 -2.27051 -0.01392 0 0 0 0 0 0.00162 0.01006 1.72588 0 -0.01945 0 -1.5107 -0.35622 0.23461 -1.19678
LEU_26 -8.29319 1.00868 4.08934 -0.65968 0.14499 0.20675 2.94971 -2.93695 -0.0132 -0.08422 -2.38331 0.16329 0 0 0 0 0 0.00162 0.10447 0.76168 0 -0.17565 0 0.18072 -0.13386 0.41803 -4.65077
ARG_27 -6.29164 0.38373 6.76062 -0.61457 0.09415 0.35937 2.97048 -3.0986 -0.03965 -0.12127 -3.96594 0.37653 0 0 0 -0.70981 0 0.0041 0.22001 2.41784 0 -0.12731 0 -1.2888 -0.11245 0.66037 -2.12283
LYS_28 -5.24904 0.41815 5.99597 -0.3022 0.03215 0.13419 2.3875 -2.69031 -0 -0 -1.89904 -0.00736 0 0 0 0 0 -0.02652 0.00563 1.84519 0 0.02931 0 -1.5107 -0.26495 0.40649 -0.69554
ARG_29 -4.52445 0.12597 6.00349 -1.65894 0.41343 1.73423 2.53223 -2.6241 -0 -0 -2.94308 -1.60659 0 0 0 -0.54313 0 -0.04394 0.06335 3.13881 0 -0.1495 0 -1.2888 -0.25317 0.23422 -1.38998
LEU_30 -8.57877 1.11909 3.84418 -0.46229 0.11777 0.0941 2.42482 -2.77721 -0 -0 -2.27391 0.24179 0 0 0 0 0 -0.02659 0.02224 0.69636 0 -0.17881 0 0.18072 -0.13963 0.61307 -5.08306
LEU_31 -6.95276 0.766 4.27133 -0.49211 0.25104 0.12519 2.46608 -2.66881 -0.03377 -0.21103 -1.91835 0.22872 0 0 0 0 0 -0.02284 0.09896 0.27674 0 -0.29426 0 0.18072 -0.13054 0.6751 -3.38459
ARG_32 -4.52229 0.46011 4.59317 -0.46352 0.05818 0.24715 1.40429 -2.14155 -0 -0 -0.84977 0.31317 0 0 0 0 0 -0.10754 0.27473 2.15691 0 -0.12647 0 -1.2888 -0.40001 0.44357 0.05133
ASP_33 -2.76972 0.23202 4.46844 -0.11866 0.0301 0.37164 2.05767 -1.96881 -0 -0 -2.60141 -0.19423 0 0 0 -0.54313 0 -0.06283 0.00607 0 2.34395 -0.32442 0 -2.3716 -0.57159 0.34211 -1.67439
ALA_34 -5.253 0.66118 2.32156 -0.02676 0.00104 0 1.9821 -2.12647 -0.03018 -0.17403 -0.95423 -0.26045 0 0 0 0 0 0.01393 0 0 0 -0.02198 0 1.8394 -0.68504 0.55019 -2.16274
ASP_35 -2.56403 0.2476 2.71644 -0.12031 0.01409 0.36757 1.08535 -1.32749 -0 -0 -0.06814 -0.37008 0 0 0 0 0 -0.04321 0.02638 0 2.349 -0.31294 0 -2.3716 -0.70088 0.5578 -0.51445
ASP_36 -4.16429 0.58005 6.16646 -0.11282 0.02171 0.34677 2.83164 -2.63154 -0.00507 -0.01585 -6.23958 -0.42761 0 0 -0.98125 0 0 -0.05911 0.00058 0 2.59357 -0.29483 0 -2.3716 -0.74333 0.38774 -5.11836
LEU:CtermProteinFull_37 -2.66095 0.25906 1.80995 -0.72652 0.25443 0.56272 0.68426 -1.11082 -0.00961 -0.04723 -0.46755 0.06409 0 0 0 0 0 0 0.0057 0.79563 0 0 0 0.18072 -0.35757 0.46579 -0.2979
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 691853 DOMAINID 682969 MODEL 2 pep3_AB
MODEL     2
REMARK    Rerank model05.pdb to model02.pdb score: 14.093
REMARK    S_0000_0001
REMARK    SCORE     hbond_sr_bb:         -30.062
REMARK    SCORE          fa_sol:         138.021
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE           score:         -96.008
REMARK    SCORE            time:           0.000
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE             ref:           2.212
REMARK    SCORE          fa_rep:          21.445
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     cart_bonded:          16.647
REMARK    SCORE          fa_dun:          56.402
REMARK    SCORE         fa_elec:         -74.497
REMARK    SCORE     description: best_scoring0001_0001_0001
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     total_score:         -96.008
REMARK    SCORE         p_aa_pp:          -5.769
REMARK    SCORE     lk_ball_wtd:          -3.915
REMARK    SCORE     hbond_lr_bb:          -1.360
REMARK    SCORE     rama_prepro:          -7.337
REMARK    SCORE          fa_atr:        -210.563
REMARK    SCORE           omega:           0.285
REMARK    SCORE    fa_intra_rep:           0.399
REMARK    SCORE        hbond_sc:          -3.293
REMARK    SCORE fa_intra_sol_xover4:           9.866
REMARK    SCORE     hbond_bb_sc:          -4.489
ATOM      1  N   ASP A   1       0.374  -0.147   0.341  1.00  2.00           N  
ATOM      2  CA  ASP A   1       1.820  -0.029   0.431  1.00  1.56           C  
ATOM      3  C   ASP A   1       2.266   1.425   0.193  1.00  1.29           C  
ATOM      4  O   ASP A   1       1.451   2.300  -0.109  1.00  1.22           O  
ATOM      5  CB  ASP A   1       2.435  -0.978  -0.613  1.00  2.36           C  
ATOM      6  CG  ASP A   1       3.888  -1.365  -0.379  1.00  2.36           C  
ATOM      7  OD1 ASP A   1       4.508  -0.758   0.467  1.00  2.36           O  
ATOM      8  OD2 ASP A   1       4.369  -2.220  -1.061  1.00  2.36           O  
ATOM      9 1H   ASP A   1       0.080  -1.110   0.201  1.00  2.40           H  
ATOM     10 2H   ASP A   1      -0.092   0.256   1.139  1.00  2.40           H  
ATOM     11 3H   ASP A   1       0.098   0.334  -0.508  1.00  2.40           H  
ATOM     12  HA  ASP A   1       2.134  -0.332   1.430  1.00  1.87           H  
ATOM     13 1HB  ASP A   1       1.839  -1.897  -0.631  1.00  2.83           H  
ATOM     14 2HB  ASP A   1       2.319  -0.536  -1.594  1.00  2.83           H  
ATOM     15  N   TRP A   2       3.581   1.671   0.262  1.00  1.27           N  
ATOM     16  CA  TRP A   2       4.210   2.986   0.021  1.00  1.17           C  
ATOM     17  C   TRP A   2       3.675   3.720  -1.195  1.00  1.08           C  
ATOM     18  O   TRP A   2       3.438   4.935  -1.160  1.00  1.00           O  
ATOM     19  CB  TRP A   2       5.722   2.838  -0.136  1.00  1.68           C  
ATOM     20  CG  TRP A   2       6.371   4.081  -0.663  1.00  1.68           C  
ATOM     21  CD1 TRP A   2       6.748   5.189   0.030  1.00  1.68           C  
ATOM     22  CD2 TRP A   2       6.745   4.325  -2.048  1.00  1.68           C  
ATOM     23  NE1 TRP A   2       7.308   6.113  -0.825  1.00  1.68           N  
ATOM     24  CE2 TRP A   2       7.309   5.595  -2.101  1.00  1.68           C  
ATOM     25  CE3 TRP A   2       6.645   3.570  -3.224  1.00  1.68           C  
ATOM     26  CZ2 TRP A   2       7.764   6.142  -3.291  1.00  1.68           C  
ATOM     27  CZ3 TRP A   2       7.104   4.107  -4.398  1.00  1.68           C  
ATOM     28  CH2 TRP A   2       7.646   5.364  -4.439  1.00  1.68           C  
ATOM     29  H   TRP A   2       4.178   0.883   0.523  1.00  1.52           H  
ATOM     30  HA  TRP A   2       4.021   3.608   0.896  1.00  1.40           H  
ATOM     31 1HB  TRP A   2       6.168   2.601   0.830  1.00  2.02           H  
ATOM     32 2HB  TRP A   2       5.942   2.010  -0.809  1.00  2.02           H  
ATOM     33  HD1 TRP A   2       6.620   5.328   1.101  1.00  2.02           H  
ATOM     34  HE1 TRP A   2       7.663   7.021  -0.557  1.00  2.02           H  
ATOM     35  HE3 TRP A   2       6.216   2.574  -3.209  1.00  2.02           H  
ATOM     36  HZ2 TRP A   2       8.206   7.138  -3.342  1.00  2.02           H  
ATOM     37  HZ3 TRP A   2       7.027   3.502  -5.301  1.00  2.02           H  
ATOM     38  HH2 TRP A   2       7.999   5.758  -5.394  1.00  2.02           H  
ATOM     39  N   PHE A   3       3.425   2.956  -2.239  1.00  1.21           N  
ATOM     40  CA  PHE A   3       2.978   3.412  -3.527  1.00  1.27           C  
ATOM     41  C   PHE A   3       1.784   4.351  -3.418  1.00  1.13           C  
ATOM     42  O   PHE A   3       1.726   5.338  -4.153  1.00  1.11           O  
ATOM     43  CB  PHE A   3       2.619   2.163  -4.325  1.00  1.75           C  
ATOM     44  CG  PHE A   3       3.834   1.370  -4.710  1.00  1.75           C  
ATOM     45  CD1 PHE A   3       4.365   0.403  -3.869  1.00  1.75           C  
ATOM     46  CD2 PHE A   3       4.435   1.580  -5.905  1.00  1.75           C  
ATOM     47  CE1 PHE A   3       5.480  -0.306  -4.222  1.00  1.75           C  
ATOM     48  CE2 PHE A   3       5.567   0.870  -6.277  1.00  1.75           C  
ATOM     49  CZ  PHE A   3       6.089  -0.068  -5.430  1.00  1.75           C  
ATOM     50  H   PHE A   3       3.637   1.974  -2.157  1.00  1.45           H  
ATOM     51  HA  PHE A   3       3.797   3.942  -4.013  1.00  1.52           H  
ATOM     52 1HB  PHE A   3       1.950   1.521  -3.747  1.00  2.10           H  
ATOM     53 2HB  PHE A   3       2.099   2.436  -5.224  1.00  2.10           H  
ATOM     54  HD1 PHE A   3       3.905   0.198  -2.921  1.00  2.10           H  
ATOM     55  HD2 PHE A   3       3.991   2.313  -6.565  1.00  2.10           H  
ATOM     56  HE1 PHE A   3       5.876  -1.059  -3.532  1.00  2.10           H  
ATOM     57  HE2 PHE A   3       6.048   1.044  -7.250  1.00  2.10           H  
ATOM     58  HZ  PHE A   3       6.978  -0.630  -5.719  1.00  2.10           H  
ATOM     59  N   LYS A   4       0.829   4.070  -2.522  1.00  1.14           N  
ATOM     60  CA  LYS A   4      -0.325   4.947  -2.387  1.00  1.18           C  
ATOM     61  C   LYS A   4       0.059   6.340  -1.925  1.00  0.98           C  
ATOM     62  O   LYS A   4      -0.603   7.309  -2.294  1.00  1.02           O  
ATOM     63  CB  LYS A   4      -1.374   4.387  -1.435  1.00  1.64           C  
ATOM     64  CG  LYS A   4      -2.156   3.232  -2.007  1.00  1.64           C  
ATOM     65  CD  LYS A   4      -3.140   2.602  -0.998  1.00  1.64           C  
ATOM     66  CE  LYS A   4      -4.359   3.486  -0.732  1.00  1.64           C  
ATOM     67  NZ  LYS A   4      -5.344   2.815   0.166  1.00  1.64           N  
ATOM     68  H   LYS A   4       0.930   3.273  -1.886  1.00  1.37           H  
ATOM     69  HA  LYS A   4      -0.790   5.041  -3.367  1.00  1.42           H  
ATOM     70 1HB  LYS A   4      -0.883   4.047  -0.520  1.00  1.97           H  
ATOM     71 2HB  LYS A   4      -2.062   5.183  -1.167  1.00  1.97           H  
ATOM     72 1HG  LYS A   4      -2.710   3.589  -2.868  1.00  1.97           H  
ATOM     73 2HG  LYS A   4      -1.460   2.465  -2.347  1.00  1.97           H  
ATOM     74 1HD  LYS A   4      -3.481   1.644  -1.402  1.00  1.97           H  
ATOM     75 2HD  LYS A   4      -2.623   2.410  -0.061  1.00  1.97           H  
ATOM     76 1HE  LYS A   4      -4.045   4.413  -0.265  1.00  1.97           H  
ATOM     77 2HE  LYS A   4      -4.845   3.712  -1.681  1.00  1.97           H  
ATOM     78 1HZ  LYS A   4      -6.134   3.426   0.312  1.00  1.97           H  
ATOM     79 2HZ  LYS A   4      -5.659   1.955  -0.264  1.00  1.97           H  
ATOM     80 3HZ  LYS A   4      -4.910   2.608   1.055  1.00  1.97           H  
ATOM     81  N   ALA A   5       1.059   6.462  -1.037  1.00  0.91           N  
ATOM     82  CA  ALA A   5       1.423   7.777  -0.530  1.00  0.93           C  
ATOM     83  C   ALA A   5       1.937   8.610  -1.675  1.00  0.80           C  
ATOM     84  O   ALA A   5       1.609   9.795  -1.808  1.00  0.84           O  
ATOM     85  CB  ALA A   5       2.476   7.665   0.556  1.00  1.29           C  
ATOM     86  H   ALA A   5       1.617   5.652  -0.770  1.00  1.09           H  
ATOM     87  HA  ALA A   5       0.531   8.255  -0.129  1.00  1.12           H  
ATOM     88 1HB  ALA A   5       2.730   8.658   0.919  1.00  1.55           H  
ATOM     89 2HB  ALA A   5       2.086   7.064   1.374  1.00  1.55           H  
ATOM     90 3HB  ALA A   5       3.369   7.186   0.149  1.00  1.55           H  
ATOM     91  N   PHE A   6       2.745   7.962  -2.514  1.00  0.79           N  
ATOM     92  CA  PHE A   6       3.299   8.620  -3.679  1.00  0.87           C  
ATOM     93  C   PHE A   6       2.185   9.078  -4.590  1.00  0.80           C  
ATOM     94  O   PHE A   6       2.110  10.252  -4.965  1.00  0.81           O  
ATOM     95  CB  PHE A   6       4.201   7.686  -4.469  1.00  1.19           C  
ATOM     96  CG  PHE A   6       4.726   8.302  -5.719  1.00  1.19           C  
ATOM     97  CD1 PHE A   6       5.878   9.052  -5.711  1.00  1.19           C  
ATOM     98  CD2 PHE A   6       4.046   8.139  -6.916  1.00  1.19           C  
ATOM     99  CE1 PHE A   6       6.348   9.612  -6.875  1.00  1.19           C  
ATOM    100  CE2 PHE A   6       4.505   8.688  -8.067  1.00  1.19           C  
ATOM    101  CZ  PHE A   6       5.661   9.428  -8.055  1.00  1.19           C  
ATOM    102  H   PHE A   6       2.982   6.987  -2.290  1.00  0.95           H  
ATOM    103  HA  PHE A   6       3.867   9.491  -3.355  1.00  1.04           H  
ATOM    104 1HB  PHE A   6       5.041   7.382  -3.850  1.00  1.43           H  
ATOM    105 2HB  PHE A   6       3.658   6.786  -4.736  1.00  1.43           H  
ATOM    106  HD1 PHE A   6       6.419   9.194  -4.776  1.00  1.43           H  
ATOM    107  HD2 PHE A   6       3.139   7.553  -6.930  1.00  1.43           H  
ATOM    108  HE1 PHE A   6       7.265  10.203  -6.867  1.00  1.43           H  
ATOM    109  HE2 PHE A   6       3.957   8.540  -8.997  1.00  1.43           H  
ATOM    110  HZ  PHE A   6       6.033   9.869  -8.977  1.00  1.43           H  
ATOM    111  N   TYR A   7       1.299   8.141  -4.936  1.00  0.87           N  
ATOM    112  CA  TYR A   7       0.238   8.421  -5.875  1.00  1.00           C  
ATOM    113  C   TYR A   7      -0.680   9.525  -5.362  1.00  0.86           C  
ATOM    114  O   TYR A   7      -1.106  10.376  -6.140  1.00  0.90           O  
ATOM    115  CB  TYR A   7      -0.565   7.147  -6.178  1.00  1.35           C  
ATOM    116  CG  TYR A   7       0.179   6.013  -6.982  1.00  1.35           C  
ATOM    117  CD1 TYR A   7       0.023   4.696  -6.584  1.00  1.35           C  
ATOM    118  CD2 TYR A   7       0.987   6.280  -8.092  1.00  1.35           C  
ATOM    119  CE1 TYR A   7       0.639   3.675  -7.262  1.00  1.35           C  
ATOM    120  CE2 TYR A   7       1.610   5.241  -8.771  1.00  1.35           C  
ATOM    121  CZ  TYR A   7       1.435   3.946  -8.357  1.00  1.35           C  
ATOM    122  OH  TYR A   7       2.033   2.905  -9.029  1.00  1.35           O  
ATOM    123  H   TYR A   7       1.403   7.188  -4.570  1.00  1.04           H  
ATOM    124  HA  TYR A   7       0.694   8.781  -6.791  1.00  1.20           H  
ATOM    125 1HB  TYR A   7      -0.912   6.719  -5.237  1.00  1.62           H  
ATOM    126 2HB  TYR A   7      -1.449   7.425  -6.747  1.00  1.62           H  
ATOM    127  HD1 TYR A   7      -0.590   4.461  -5.729  1.00  1.62           H  
ATOM    128  HD2 TYR A   7       1.139   7.293  -8.432  1.00  1.62           H  
ATOM    129  HE1 TYR A   7       0.495   2.650  -6.932  1.00  1.62           H  
ATOM    130  HE2 TYR A   7       2.240   5.451  -9.639  1.00  1.62           H  
ATOM    131  HH  TYR A   7       2.477   3.229  -9.844  1.00  1.62           H  
ATOM    132  N   ASP A   8      -0.985   9.527  -4.056  1.00  0.82           N  
ATOM    133  CA  ASP A   8      -1.863  10.527  -3.456  1.00  0.94           C  
ATOM    134  C   ASP A   8      -1.259  11.929  -3.574  1.00  0.82           C  
ATOM    135  O   ASP A   8      -1.959  12.877  -3.953  1.00  0.93           O  
ATOM    136  CB  ASP A   8      -2.121  10.159  -1.986  1.00  1.27           C  
ATOM    137  CG  ASP A   8      -3.189  10.995  -1.268  1.00  1.27           C  
ATOM    138  OD1 ASP A   8      -4.345  10.894  -1.619  1.00  1.27           O  
ATOM    139  OD2 ASP A   8      -2.831  11.713  -0.363  1.00  1.27           O  
ATOM    140  H   ASP A   8      -0.635   8.778  -3.453  1.00  0.98           H  
ATOM    141  HA  ASP A   8      -2.812  10.522  -3.987  1.00  1.13           H  
ATOM    142 1HB  ASP A   8      -2.413   9.111  -1.932  1.00  1.52           H  
ATOM    143 2HB  ASP A   8      -1.182  10.246  -1.434  1.00  1.52           H  
ATOM    144  N   LYS A   9       0.036  12.072  -3.256  1.00  0.72           N  
ATOM    145  CA  LYS A   9       0.683  13.376  -3.364  1.00  0.83           C  
ATOM    146  C   LYS A   9       0.684  13.856  -4.817  1.00  0.76           C  
ATOM    147  O   LYS A   9       0.435  15.035  -5.113  1.00  0.90           O  
ATOM    148  CB  LYS A   9       2.108  13.292  -2.822  1.00  1.11           C  
ATOM    149  CG  LYS A   9       2.183  13.122  -1.303  1.00  1.11           C  
ATOM    150  CD  LYS A   9       3.621  12.982  -0.820  1.00  1.11           C  
ATOM    151  CE  LYS A   9       3.682  12.784   0.693  1.00  1.11           C  
ATOM    152  NZ  LYS A   9       5.084  12.615   1.178  1.00  1.11           N  
ATOM    153  H   LYS A   9       0.564  11.263  -2.904  1.00  0.86           H  
ATOM    154  HA  LYS A   9       0.118  14.093  -2.769  1.00  1.00           H  
ATOM    155 1HB  LYS A   9       2.610  12.429  -3.275  1.00  1.33           H  
ATOM    156 2HB  LYS A   9       2.663  14.183  -3.104  1.00  1.33           H  
ATOM    157 1HG  LYS A   9       1.726  13.988  -0.826  1.00  1.33           H  
ATOM    158 2HG  LYS A   9       1.620  12.237  -1.013  1.00  1.33           H  
ATOM    159 1HD  LYS A   9       4.078  12.118  -1.307  1.00  1.33           H  
ATOM    160 2HD  LYS A   9       4.188  13.873  -1.087  1.00  1.33           H  
ATOM    161 1HE  LYS A   9       3.240  13.649   1.183  1.00  1.33           H  
ATOM    162 2HE  LYS A   9       3.107  11.895   0.957  1.00  1.33           H  
ATOM    163 1HZ  LYS A   9       5.082  12.486   2.181  1.00  1.33           H  
ATOM    164 2HZ  LYS A   9       5.497  11.806   0.736  1.00  1.33           H  
ATOM    165 3HZ  LYS A   9       5.624  13.437   0.947  1.00  1.33           H  
ATOM    166  N   VAL A  10       0.937  12.924  -5.730  1.00  0.70           N  
ATOM    167  CA  VAL A  10       0.952  13.244  -7.137  1.00  0.83           C  
ATOM    168  C   VAL A  10      -0.435  13.669  -7.586  1.00  0.74           C  
ATOM    169  O   VAL A  10      -0.561  14.635  -8.333  1.00  0.78           O  
ATOM    170  CB  VAL A  10       1.484  12.076  -7.972  1.00  1.11           C  
ATOM    171  CG1 VAL A  10       1.328  12.357  -9.429  1.00  1.11           C  
ATOM    172  CG2 VAL A  10       2.933  11.886  -7.677  1.00  1.11           C  
ATOM    173  H   VAL A  10       1.157  11.970  -5.425  1.00  0.84           H  
ATOM    174  HA  VAL A  10       1.628  14.085  -7.286  1.00  1.00           H  
ATOM    175  HB  VAL A  10       0.923  11.174  -7.732  1.00  1.33           H  
ATOM    176 1HG1 VAL A  10       1.710  11.518 -10.007  1.00  1.33           H  
ATOM    177 2HG1 VAL A  10       0.304  12.511  -9.674  1.00  1.33           H  
ATOM    178 3HG1 VAL A  10       1.888  13.257  -9.674  1.00  1.33           H  
ATOM    179 1HG2 VAL A  10       3.294  11.077  -8.268  1.00  1.33           H  
ATOM    180 2HG2 VAL A  10       3.481  12.791  -7.930  1.00  1.33           H  
ATOM    181 3HG2 VAL A  10       3.085  11.668  -6.630  1.00  1.33           H  
ATOM    182  N   ALA A  11      -1.479  12.969  -7.131  1.00  0.78           N  
ATOM    183  CA  ALA A  11      -2.842  13.306  -7.502  1.00  0.91           C  
ATOM    184  C   ALA A  11      -3.180  14.729  -7.116  1.00  0.84           C  
ATOM    185  O   ALA A  11      -3.766  15.455  -7.919  1.00  0.93           O  
ATOM    186  CB  ALA A  11      -3.815  12.347  -6.848  1.00  1.22           C  
ATOM    187  H   ALA A  11      -1.313  12.143  -6.554  1.00  0.94           H  
ATOM    188  HA  ALA A  11      -2.931  13.223  -8.570  1.00  1.09           H  
ATOM    189 1HB  ALA A  11      -4.828  12.594  -7.154  1.00  1.46           H  
ATOM    190 2HB  ALA A  11      -3.575  11.327  -7.153  1.00  1.46           H  
ATOM    191 3HB  ALA A  11      -3.732  12.428  -5.767  1.00  1.46           H  
ATOM    192  N   GLU A  12      -2.714  15.196  -5.959  1.00  0.81           N  
ATOM    193  CA  GLU A  12      -3.019  16.576  -5.591  1.00  0.97           C  
ATOM    194  C   GLU A  12      -2.422  17.545  -6.615  1.00  0.94           C  
ATOM    195  O   GLU A  12      -3.002  18.597  -6.899  1.00  1.12           O  
ATOM    196  CB  GLU A  12      -2.543  16.891  -4.173  1.00  1.29           C  
ATOM    197  CG  GLU A  12      -3.347  16.165  -3.101  1.00  1.29           C  
ATOM    198  CD  GLU A  12      -4.813  16.556  -3.116  1.00  1.29           C  
ATOM    199  OE1 GLU A  12      -5.116  17.708  -2.960  1.00  1.29           O  
ATOM    200  OE2 GLU A  12      -5.625  15.686  -3.352  1.00  1.29           O  
ATOM    201  H   GLU A  12      -2.256  14.553  -5.300  1.00  0.97           H  
ATOM    202  HA  GLU A  12      -4.101  16.700  -5.613  1.00  1.16           H  
ATOM    203 1HB  GLU A  12      -1.498  16.592  -4.069  1.00  1.55           H  
ATOM    204 2HB  GLU A  12      -2.605  17.962  -3.991  1.00  1.55           H  
ATOM    205 1HG  GLU A  12      -3.268  15.089  -3.265  1.00  1.55           H  
ATOM    206 2HG  GLU A  12      -2.921  16.388  -2.125  1.00  1.55           H  
ATOM    207  N   LYS A  13      -1.264  17.193  -7.184  1.00  0.84           N  
ATOM    208  CA  LYS A  13      -0.681  18.013  -8.243  1.00  0.99           C  
ATOM    209  C   LYS A  13      -1.513  17.848  -9.523  1.00  1.01           C  
ATOM    210  O   LYS A  13      -1.904  18.834 -10.160  1.00  1.26           O  
ATOM    211  CB  LYS A  13       0.779  17.638  -8.522  1.00  1.33           C  
ATOM    212  CG  LYS A  13       1.449  18.483  -9.613  1.00  1.33           C  
ATOM    213  CD  LYS A  13       2.927  18.132  -9.773  1.00  1.33           C  
ATOM    214  CE  LYS A  13       3.583  18.974 -10.867  1.00  1.33           C  
ATOM    215  NZ  LYS A  13       5.039  18.657 -11.018  1.00  1.33           N  
ATOM    216  H   LYS A  13      -0.799  16.335  -6.859  1.00  1.01           H  
ATOM    217  HA  LYS A  13      -0.726  19.059  -7.941  1.00  1.19           H  
ATOM    218 1HB  LYS A  13       1.358  17.737  -7.605  1.00  1.60           H  
ATOM    219 2HB  LYS A  13       0.837  16.599  -8.831  1.00  1.60           H  
ATOM    220 1HG  LYS A  13       0.952  18.293 -10.561  1.00  1.60           H  
ATOM    221 2HG  LYS A  13       1.344  19.541  -9.373  1.00  1.60           H  
ATOM    222 1HD  LYS A  13       3.449  18.302  -8.829  1.00  1.60           H  
ATOM    223 2HD  LYS A  13       3.018  17.076 -10.035  1.00  1.60           H  
ATOM    224 1HE  LYS A  13       3.078  18.784 -11.814  1.00  1.60           H  
ATOM    225 2HE  LYS A  13       3.477  20.030 -10.616  1.00  1.60           H  
ATOM    226 1HZ  LYS A  13       5.438  19.232 -11.748  1.00  1.60           H  
ATOM    227 2HZ  LYS A  13       5.517  18.842 -10.147  1.00  1.60           H  
ATOM    228 3HZ  LYS A  13       5.152  17.683 -11.261  1.00  1.60           H  
ATOM    229  N   PHE A  14      -1.839  16.603  -9.880  1.00  0.89           N  
ATOM    230  CA  PHE A  14      -2.559  16.325 -11.124  1.00  1.04           C  
ATOM    231  C   PHE A  14      -3.888  17.043 -11.186  1.00  1.00           C  
ATOM    232  O   PHE A  14      -4.245  17.593 -12.226  1.00  1.08           O  
ATOM    233  CB  PHE A  14      -2.782  14.832 -11.370  1.00  1.40           C  
ATOM    234  CG  PHE A  14      -1.618  14.060 -11.946  1.00  1.40           C  
ATOM    235  CD1 PHE A  14      -0.299  14.428 -11.756  1.00  1.40           C  
ATOM    236  CD2 PHE A  14      -1.866  12.948 -12.720  1.00  1.40           C  
ATOM    237  CE1 PHE A  14       0.717  13.700 -12.328  1.00  1.40           C  
ATOM    238  CE2 PHE A  14      -0.853  12.221 -13.275  1.00  1.40           C  
ATOM    239  CZ  PHE A  14       0.438  12.599 -13.083  1.00  1.40           C  
ATOM    240  H   PHE A  14      -1.525  15.831  -9.287  1.00  1.07           H  
ATOM    241  HA  PHE A  14      -1.961  16.695 -11.939  1.00  1.25           H  
ATOM    242 1HB  PHE A  14      -3.052  14.372 -10.446  1.00  1.68           H  
ATOM    243 2HB  PHE A  14      -3.627  14.711 -12.047  1.00  1.68           H  
ATOM    244  HD1 PHE A  14      -0.045  15.296 -11.160  1.00  1.68           H  
ATOM    245  HD2 PHE A  14      -2.879  12.645 -12.886  1.00  1.68           H  
ATOM    246  HE1 PHE A  14       1.749  14.003 -12.175  1.00  1.68           H  
ATOM    247  HE2 PHE A  14      -1.080  11.337 -13.875  1.00  1.68           H  
ATOM    248  HZ  PHE A  14       1.246  12.026 -13.530  1.00  1.68           H  
ATOM    249  N   LYS A  15      -4.582  17.149 -10.061  1.00  0.97           N  
ATOM    250  CA  LYS A  15      -5.876  17.821 -10.026  1.00  0.99           C  
ATOM    251  C   LYS A  15      -5.840  19.246 -10.596  1.00  0.87           C  
ATOM    252  O   LYS A  15      -6.886  19.764 -10.993  1.00  1.02           O  
ATOM    253  CB  LYS A  15      -6.415  17.853  -8.594  1.00  1.38           C  
ATOM    254  CG  LYS A  15      -6.910  16.510  -8.068  1.00  1.38           C  
ATOM    255  CD  LYS A  15      -7.337  16.604  -6.612  1.00  1.38           C  
ATOM    256  CE  LYS A  15      -7.841  15.270  -6.087  1.00  1.38           C  
ATOM    257  NZ  LYS A  15      -8.162  15.337  -4.626  1.00  1.38           N  
ATOM    258  H   LYS A  15      -4.225  16.682  -9.224  1.00  1.16           H  
ATOM    259  HA  LYS A  15      -6.568  17.251 -10.636  1.00  1.19           H  
ATOM    260 1HB  LYS A  15      -5.619  18.198  -7.924  1.00  1.66           H  
ATOM    261 2HB  LYS A  15      -7.231  18.570  -8.530  1.00  1.66           H  
ATOM    262 1HG  LYS A  15      -7.770  16.212  -8.654  1.00  1.66           H  
ATOM    263 2HG  LYS A  15      -6.149  15.756  -8.178  1.00  1.66           H  
ATOM    264 1HD  LYS A  15      -6.487  16.920  -6.001  1.00  1.66           H  
ATOM    265 2HD  LYS A  15      -8.125  17.348  -6.511  1.00  1.66           H  
ATOM    266 1HE  LYS A  15      -8.740  14.992  -6.634  1.00  1.66           H  
ATOM    267 2HE  LYS A  15      -7.077  14.506  -6.247  1.00  1.66           H  
ATOM    268 1HZ  LYS A  15      -8.490  14.442  -4.305  1.00  1.66           H  
ATOM    269 2HZ  LYS A  15      -7.294  15.583  -4.108  1.00  1.66           H  
ATOM    270 3HZ  LYS A  15      -8.866  16.034  -4.453  1.00  1.66           H  
ATOM    271  N   GLU A  16      -4.679  19.909 -10.579  1.00  0.98           N  
ATOM    272  CA  GLU A  16      -4.577  21.259 -11.125  1.00  1.20           C  
ATOM    273  C   GLU A  16      -3.659  21.322 -12.363  1.00  1.14           C  
ATOM    274  O   GLU A  16      -3.865  22.150 -13.253  1.00  1.36           O  
ATOM    275  CB  GLU A  16      -4.080  22.244 -10.062  1.00  1.59           C  
ATOM    276  CG  GLU A  16      -5.031  22.437  -8.873  1.00  1.59           C  
ATOM    277  CD  GLU A  16      -4.511  23.430  -7.854  1.00  1.59           C  
ATOM    278  OE1 GLU A  16      -3.418  23.913  -8.033  1.00  1.59           O  
ATOM    279  OE2 GLU A  16      -5.210  23.706  -6.905  1.00  1.59           O  
ATOM    280  H   GLU A  16      -3.836  19.437 -10.247  1.00  1.18           H  
ATOM    281  HA  GLU A  16      -5.570  21.578 -11.437  1.00  1.44           H  
ATOM    282 1HB  GLU A  16      -3.125  21.891  -9.668  1.00  1.91           H  
ATOM    283 2HB  GLU A  16      -3.906  23.216 -10.521  1.00  1.91           H  
ATOM    284 1HG  GLU A  16      -5.997  22.779  -9.245  1.00  1.91           H  
ATOM    285 2HG  GLU A  16      -5.183  21.471  -8.389  1.00  1.91           H  
ATOM    286  N   ALA A  17      -2.615  20.482 -12.387  1.00  1.02           N  
ATOM    287  CA  ALA A  17      -1.590  20.508 -13.435  1.00  1.15           C  
ATOM    288  C   ALA A  17      -1.844  19.605 -14.663  1.00  0.96           C  
ATOM    289  O   ALA A  17      -1.256  19.844 -15.720  1.00  1.09           O  
ATOM    290  CB  ALA A  17      -0.251  20.128 -12.812  1.00  1.56           C  
ATOM    291  H   ALA A  17      -2.497  19.818 -11.624  1.00  1.22           H  
ATOM    292  HA  ALA A  17      -1.528  21.531 -13.799  1.00  1.38           H  
ATOM    293 1HB  ALA A  17       0.536  20.200 -13.561  1.00  1.87           H  
ATOM    294 2HB  ALA A  17      -0.034  20.802 -11.985  1.00  1.87           H  
ATOM    295 3HB  ALA A  17      -0.307  19.124 -12.437  1.00  1.87           H  
ATOM    296  N   PHE A  18      -2.648  18.545 -14.531  1.00  0.74           N  
ATOM    297  CA  PHE A  18      -2.834  17.573 -15.612  1.00  0.65           C  
ATOM    298  C   PHE A  18      -4.280  17.391 -16.099  1.00  0.55           C  
ATOM    299  O   PHE A  18      -5.222  17.602 -15.340  1.00  0.52           O  
ATOM    300  CB  PHE A  18      -2.288  16.207 -15.197  1.00  0.94           C  
ATOM    301  CG  PHE A  18      -0.794  16.108 -15.152  1.00  0.94           C  
ATOM    302  CD1 PHE A  18      -0.048  16.672 -14.151  1.00  0.94           C  
ATOM    303  CD2 PHE A  18      -0.138  15.395 -16.128  1.00  0.94           C  
ATOM    304  CE1 PHE A  18       1.311  16.555 -14.119  1.00  0.94           C  
ATOM    305  CE2 PHE A  18       1.226  15.261 -16.107  1.00  0.94           C  
ATOM    306  CZ  PHE A  18       1.956  15.849 -15.098  1.00  0.94           C  
ATOM    307  H   PHE A  18      -3.153  18.383 -13.656  1.00  0.89           H  
ATOM    308  HA  PHE A  18      -2.207  17.918 -16.420  1.00  0.78           H  
ATOM    309 1HB  PHE A  18      -2.674  15.958 -14.215  1.00  1.13           H  
ATOM    310 2HB  PHE A  18      -2.653  15.464 -15.877  1.00  1.13           H  
ATOM    311  HD1 PHE A  18      -0.536  17.213 -13.390  1.00  1.13           H  
ATOM    312  HD2 PHE A  18      -0.710  14.930 -16.924  1.00  1.13           H  
ATOM    313  HE1 PHE A  18       1.873  17.019 -13.315  1.00  1.13           H  
ATOM    314  HE2 PHE A  18       1.730  14.692 -16.888  1.00  1.13           H  
ATOM    315  HZ  PHE A  18       3.039  15.747 -15.077  1.00  1.13           H  
ATOM    316  N   PRO A  19      -4.485  17.011 -17.374  1.00  0.66           N  
ATOM    317  CA  PRO A  19      -5.761  16.609 -17.939  1.00  0.76           C  
ATOM    318  C   PRO A  19      -6.329  15.418 -17.172  1.00  0.73           C  
ATOM    319  O   PRO A  19      -5.573  14.548 -16.718  1.00  0.66           O  
ATOM    320  CB  PRO A  19      -5.394  16.229 -19.379  1.00  1.14           C  
ATOM    321  CG  PRO A  19      -4.146  17.027 -19.684  1.00  1.14           C  
ATOM    322  CD  PRO A  19      -3.392  17.121 -18.374  1.00  1.14           C  
ATOM    323  HA  PRO A  19      -6.456  17.462 -17.909  1.00  0.91           H  
ATOM    324 1HB  PRO A  19      -5.250  15.145 -19.462  1.00  1.37           H  
ATOM    325 2HB  PRO A  19      -6.225  16.486 -20.054  1.00  1.37           H  
ATOM    326 1HG  PRO A  19      -3.560  16.527 -20.473  1.00  1.37           H  
ATOM    327 2HG  PRO A  19      -4.421  18.017 -20.080  1.00  1.37           H  
ATOM    328 1HD  PRO A  19      -2.648  16.327 -18.259  1.00  1.37           H  
ATOM    329 2HD  PRO A  19      -2.940  18.125 -18.365  1.00  1.37           H  
ATOM    330  N   ALA A  20      -7.662  15.355 -17.108  1.00  0.88           N  
ATOM    331  CA  ALA A  20      -8.398  14.302 -16.403  1.00  0.95           C  
ATOM    332  C   ALA A  20      -7.925  12.902 -16.751  1.00  0.97           C  
ATOM    333  O   ALA A  20      -7.869  12.041 -15.880  1.00  0.95           O  
ATOM    334  CB  ALA A  20      -9.874  14.407 -16.700  1.00  1.30           C  
ATOM    335  H   ALA A  20      -8.194  16.107 -17.527  1.00  1.06           H  
ATOM    336  HA  ALA A  20      -8.244  14.455 -15.335  1.00  1.14           H  
ATOM    337 1HB  ALA A  20     -10.403  13.649 -16.130  1.00  1.56           H  
ATOM    338 2HB  ALA A  20     -10.234  15.395 -16.412  1.00  1.56           H  
ATOM    339 3HB  ALA A  20     -10.045  14.254 -17.763  1.00  1.56           H  
ATOM    340  N   SER A  21      -7.539  12.647 -17.997  1.00  1.06           N  
ATOM    341  CA  SER A  21      -7.124  11.298 -18.357  1.00  1.18           C  
ATOM    342  C   SER A  21      -5.973  10.801 -17.481  1.00  1.06           C  
ATOM    343  O   SER A  21      -5.925   9.616 -17.124  1.00  1.18           O  
ATOM    344  CB  SER A  21      -6.682  11.265 -19.809  1.00  1.61           C  
ATOM    345  OG  SER A  21      -7.753  11.528 -20.682  1.00  1.61           O  
ATOM    346  H   SER A  21      -7.572  13.360 -18.713  1.00  1.27           H  
ATOM    347  HA  SER A  21      -7.968  10.627 -18.220  1.00  1.42           H  
ATOM    348 1HB  SER A  21      -5.894  12.004 -19.962  1.00  1.93           H  
ATOM    349 2HB  SER A  21      -6.258  10.287 -20.034  1.00  1.93           H  
ATOM    350  HG  SER A  21      -7.391  11.463 -21.573  1.00  1.93           H  
ATOM    351  N   HIS A  22      -5.053  11.701 -17.125  1.00  0.92           N  
ATOM    352  CA  HIS A  22      -3.894  11.336 -16.337  1.00  0.92           C  
ATOM    353  C   HIS A  22      -4.312  11.139 -14.900  1.00  0.78           C  
ATOM    354  O   HIS A  22      -3.862  10.201 -14.230  1.00  0.75           O  
ATOM    355  CB  HIS A  22      -2.854  12.443 -16.439  1.00  1.29           C  
ATOM    356  CG  HIS A  22      -2.225  12.542 -17.765  1.00  1.29           C  
ATOM    357  ND1 HIS A  22      -1.238  11.683 -18.185  1.00  1.29           N  
ATOM    358  CD2 HIS A  22      -2.455  13.382 -18.789  1.00  1.29           C  
ATOM    359  CE1 HIS A  22      -0.873  12.004 -19.411  1.00  1.29           C  
ATOM    360  NE2 HIS A  22      -1.596  13.033 -19.803  1.00  1.29           N  
ATOM    361  H   HIS A  22      -5.164  12.680 -17.386  1.00  1.10           H  
ATOM    362  HA  HIS A  22      -3.465  10.408 -16.705  1.00  1.10           H  
ATOM    363 1HB  HIS A  22      -3.329  13.384 -16.215  1.00  1.55           H  
ATOM    364 2HB  HIS A  22      -2.082  12.291 -15.721  1.00  1.55           H  
ATOM    365  HD2 HIS A  22      -3.185  14.176 -18.803  1.00  1.55           H  
ATOM    366  HE1 HIS A  22      -0.107  11.501 -20.002  1.00  1.55           H  
ATOM    367  HE2 HIS A  22      -1.535  13.487 -20.707  1.00  1.55           H  
ATOM    368  N   LEU A  23      -5.212  12.001 -14.430  1.00  0.76           N  
ATOM    369  CA  LEU A  23      -5.690  11.897 -13.058  1.00  0.72           C  
ATOM    370  C   LEU A  23      -6.455  10.589 -12.867  1.00  0.69           C  
ATOM    371  O   LEU A  23      -6.299   9.929 -11.837  1.00  0.68           O  
ATOM    372  CB  LEU A  23      -6.570  13.096 -12.690  1.00  1.02           C  
ATOM    373  CG  LEU A  23      -7.126  13.159 -11.220  1.00  1.02           C  
ATOM    374  CD1 LEU A  23      -5.967  13.205 -10.174  1.00  1.02           C  
ATOM    375  CD2 LEU A  23      -7.998  14.398 -11.096  1.00  1.02           C  
ATOM    376  H   LEU A  23      -5.514  12.769 -15.046  1.00  0.91           H  
ATOM    377  HA  LEU A  23      -4.834  11.877 -12.398  1.00  0.86           H  
ATOM    378 1HB  LEU A  23      -6.008  14.010 -12.880  1.00  1.22           H  
ATOM    379 2HB  LEU A  23      -7.431  13.089 -13.358  1.00  1.22           H  
ATOM    380  HG  LEU A  23      -7.725  12.267 -11.019  1.00  1.22           H  
ATOM    381 1HD1 LEU A  23      -6.391  13.253  -9.170  1.00  1.22           H  
ATOM    382 2HD1 LEU A  23      -5.346  12.315 -10.248  1.00  1.22           H  
ATOM    383 3HD1 LEU A  23      -5.366  14.086 -10.340  1.00  1.22           H  
ATOM    384 1HD2 LEU A  23      -8.410  14.453 -10.091  1.00  1.22           H  
ATOM    385 2HD2 LEU A  23      -7.399  15.277 -11.297  1.00  1.22           H  
ATOM    386 3HD2 LEU A  23      -8.812  14.343 -11.818  1.00  1.22           H  
ATOM    387  N   ARG A  24      -7.293  10.213 -13.841  1.00  0.74           N  
ATOM    388  CA  ARG A  24      -8.050   8.975 -13.730  1.00  0.78           C  
ATOM    389  C   ARG A  24      -7.125   7.761 -13.666  1.00  0.70           C  
ATOM    390  O   ARG A  24      -7.328   6.878 -12.826  1.00  0.71           O  
ATOM    391  CB  ARG A  24      -9.029   8.805 -14.889  1.00  1.08           C  
ATOM    392  CG  ARG A  24     -10.261   9.733 -14.863  1.00  1.08           C  
ATOM    393  CD  ARG A  24     -11.321   9.287 -15.829  1.00  1.08           C  
ATOM    394  NE  ARG A  24     -10.900   9.385 -17.235  1.00  1.08           N  
ATOM    395  CZ  ARG A  24     -11.052  10.469 -18.037  1.00  1.08           C  
ATOM    396  NH1 ARG A  24     -11.624  11.567 -17.592  1.00  1.08           N  
ATOM    397  NH2 ARG A  24     -10.627  10.414 -19.290  1.00  1.08           N  
ATOM    398  H   ARG A  24      -7.404  10.814 -14.656  1.00  0.89           H  
ATOM    399  HA  ARG A  24      -8.628   9.014 -12.806  1.00  0.94           H  
ATOM    400 1HB  ARG A  24      -8.500   8.999 -15.824  1.00  1.30           H  
ATOM    401 2HB  ARG A  24      -9.382   7.776 -14.920  1.00  1.30           H  
ATOM    402 1HG  ARG A  24     -10.687   9.740 -13.861  1.00  1.30           H  
ATOM    403 2HG  ARG A  24      -9.954  10.743 -15.130  1.00  1.30           H  
ATOM    404 1HD  ARG A  24     -11.561   8.244 -15.625  1.00  1.30           H  
ATOM    405 2HD  ARG A  24     -12.217   9.884 -15.689  1.00  1.30           H  
ATOM    406  HE  ARG A  24     -10.460   8.570 -17.642  1.00  1.30           H  
ATOM    407 1HH1 ARG A  24     -11.958  11.620 -16.642  1.00  1.30           H  
ATOM    408 2HH1 ARG A  24     -11.737  12.359 -18.209  1.00  1.30           H  
ATOM    409 1HH2 ARG A  24     -10.190   9.573 -19.641  1.00  1.30           H  
ATOM    410 2HH2 ARG A  24     -10.733  11.213 -19.899  1.00  1.30           H  
ATOM    411  N   LYS A  25      -6.094   7.719 -14.524  1.00  0.69           N  
ATOM    412  CA  LYS A  25      -5.166   6.592 -14.493  1.00  0.70           C  
ATOM    413  C   LYS A  25      -4.434   6.529 -13.157  1.00  0.64           C  
ATOM    414  O   LYS A  25      -4.250   5.449 -12.580  1.00  0.65           O  
ATOM    415  CB  LYS A  25      -4.170   6.683 -15.646  1.00  0.98           C  
ATOM    416  CG  LYS A  25      -4.777   6.409 -17.023  1.00  0.98           C  
ATOM    417  CD  LYS A  25      -3.741   6.561 -18.139  1.00  0.98           C  
ATOM    418  CE  LYS A  25      -4.358   6.310 -19.511  1.00  0.98           C  
ATOM    419  NZ  LYS A  25      -3.367   6.495 -20.610  1.00  0.98           N  
ATOM    420  H   LYS A  25      -5.986   8.458 -15.227  1.00  0.83           H  
ATOM    421  HA  LYS A  25      -5.739   5.672 -14.603  1.00  0.84           H  
ATOM    422 1HB  LYS A  25      -3.743   7.691 -15.667  1.00  1.18           H  
ATOM    423 2HB  LYS A  25      -3.357   5.981 -15.482  1.00  1.18           H  
ATOM    424 1HG  LYS A  25      -5.178   5.396 -17.040  1.00  1.18           H  
ATOM    425 2HG  LYS A  25      -5.596   7.102 -17.199  1.00  1.18           H  
ATOM    426 1HD  LYS A  25      -3.337   7.577 -18.114  1.00  1.18           H  
ATOM    427 2HD  LYS A  25      -2.925   5.857 -17.982  1.00  1.18           H  
ATOM    428 1HE  LYS A  25      -4.741   5.292 -19.548  1.00  1.18           H  
ATOM    429 2HE  LYS A  25      -5.185   7.006 -19.660  1.00  1.18           H  
ATOM    430 1HZ  LYS A  25      -3.813   6.322 -21.500  1.00  1.18           H  
ATOM    431 2HZ  LYS A  25      -3.016   7.444 -20.588  1.00  1.18           H  
ATOM    432 3HZ  LYS A  25      -2.600   5.850 -20.489  1.00  1.18           H  
ATOM    433  N   LEU A  26      -4.043   7.695 -12.641  1.00  0.65           N  
ATOM    434  CA  LEU A  26      -3.352   7.768 -11.372  1.00  0.72           C  
ATOM    435  C   LEU A  26      -4.234   7.281 -10.233  1.00  0.67           C  
ATOM    436  O   LEU A  26      -3.764   6.546  -9.357  1.00  0.74           O  
ATOM    437  CB  LEU A  26      -2.914   9.202 -11.116  1.00  0.98           C  
ATOM    438  CG  LEU A  26      -2.187   9.489  -9.822  1.00  0.98           C  
ATOM    439  CD1 LEU A  26      -0.909   8.706  -9.712  1.00  0.98           C  
ATOM    440  CD2 LEU A  26      -1.890  10.894  -9.806  1.00  0.98           C  
ATOM    441  H   LEU A  26      -4.189   8.561 -13.169  1.00  0.78           H  
ATOM    442  HA  LEU A  26      -2.479   7.127 -11.435  1.00  0.86           H  
ATOM    443 1HB  LEU A  26      -2.276   9.515 -11.941  1.00  1.18           H  
ATOM    444 2HB  LEU A  26      -3.802   9.830 -11.131  1.00  1.18           H  
ATOM    445  HG  LEU A  26      -2.824   9.238  -8.970  1.00  1.18           H  
ATOM    446 1HD1 LEU A  26      -0.430   8.979  -8.785  1.00  1.18           H  
ATOM    447 2HD1 LEU A  26      -1.117   7.637  -9.709  1.00  1.18           H  
ATOM    448 3HD1 LEU A  26      -0.254   8.950 -10.546  1.00  1.18           H  
ATOM    449 1HD2 LEU A  26      -1.386  11.104  -8.890  1.00  1.18           H  
ATOM    450 2HD2 LEU A  26      -1.252  11.129 -10.640  1.00  1.18           H  
ATOM    451 3HD2 LEU A  26      -2.812  11.452  -9.881  1.00  1.18           H  
ATOM    452  N   ARG A  27      -5.504   7.697 -10.226  1.00  0.64           N  
ATOM    453  CA  ARG A  27      -6.414   7.275  -9.182  1.00  0.71           C  
ATOM    454  C   ARG A  27      -6.588   5.762  -9.215  1.00  0.69           C  
ATOM    455  O   ARG A  27      -6.652   5.136  -8.155  1.00  0.79           O  
ATOM    456  CB  ARG A  27      -7.764   7.962  -9.319  1.00  0.97           C  
ATOM    457  CG  ARG A  27      -8.804   7.626  -8.227  1.00  0.97           C  
ATOM    458  CD  ARG A  27      -8.373   8.076  -6.865  1.00  0.97           C  
ATOM    459  NE  ARG A  27      -9.429   7.908  -5.880  1.00  0.97           N  
ATOM    460  CZ  ARG A  27      -9.314   8.181  -4.560  1.00  0.97           C  
ATOM    461  NH1 ARG A  27      -8.182   8.637  -4.067  1.00  0.97           N  
ATOM    462  NH2 ARG A  27     -10.352   7.993  -3.759  1.00  0.97           N  
ATOM    463  H   ARG A  27      -5.826   8.357 -10.941  1.00  0.77           H  
ATOM    464  HA  ARG A  27      -5.976   7.557  -8.228  1.00  0.85           H  
ATOM    465 1HB  ARG A  27      -7.617   9.042  -9.327  1.00  1.16           H  
ATOM    466 2HB  ARG A  27      -8.198   7.692 -10.284  1.00  1.16           H  
ATOM    467 1HG  ARG A  27      -9.746   8.115  -8.464  1.00  1.16           H  
ATOM    468 2HG  ARG A  27      -8.956   6.554  -8.195  1.00  1.16           H  
ATOM    469 1HD  ARG A  27      -7.523   7.475  -6.542  1.00  1.16           H  
ATOM    470 2HD  ARG A  27      -8.091   9.128  -6.898  1.00  1.16           H  
ATOM    471  HE  ARG A  27     -10.324   7.568  -6.210  1.00  1.16           H  
ATOM    472 1HH1 ARG A  27      -7.387   8.785  -4.667  1.00  1.16           H  
ATOM    473 2HH1 ARG A  27      -8.102   8.843  -3.079  1.00  1.16           H  
ATOM    474 1HH2 ARG A  27     -11.226   7.647  -4.135  1.00  1.16           H  
ATOM    475 2HH2 ARG A  27     -10.277   8.198  -2.773  1.00  1.16           H  
ATOM    476  N   LYS A  28      -6.681   5.162 -10.410  1.00  0.63           N  
ATOM    477  CA  LYS A  28      -6.808   3.711 -10.475  1.00  0.70           C  
ATOM    478  C   LYS A  28      -5.579   3.031  -9.861  1.00  0.66           C  
ATOM    479  O   LYS A  28      -5.715   2.041  -9.131  1.00  0.75           O  
ATOM    480  CB  LYS A  28      -7.010   3.239 -11.915  1.00  0.95           C  
ATOM    481  CG  LYS A  28      -8.375   3.579 -12.506  1.00  0.95           C  
ATOM    482  CD  LYS A  28      -8.491   3.104 -13.956  1.00  0.95           C  
ATOM    483  CE  LYS A  28      -9.845   3.461 -14.556  1.00  0.95           C  
ATOM    484  NZ  LYS A  28      -9.957   3.025 -15.980  1.00  0.95           N  
ATOM    485  H   LYS A  28      -6.700   5.732 -11.264  1.00  0.76           H  
ATOM    486  HA  LYS A  28      -7.679   3.417  -9.891  1.00  0.84           H  
ATOM    487 1HB  LYS A  28      -6.249   3.696 -12.551  1.00  1.14           H  
ATOM    488 2HB  LYS A  28      -6.878   2.161 -11.967  1.00  1.14           H  
ATOM    489 1HG  LYS A  28      -9.151   3.102 -11.909  1.00  1.14           H  
ATOM    490 2HG  LYS A  28      -8.526   4.656 -12.468  1.00  1.14           H  
ATOM    491 1HD  LYS A  28      -7.706   3.575 -14.551  1.00  1.14           H  
ATOM    492 2HD  LYS A  28      -8.356   2.023 -13.996  1.00  1.14           H  
ATOM    493 1HE  LYS A  28     -10.631   2.980 -13.977  1.00  1.14           H  
ATOM    494 2HE  LYS A  28      -9.980   4.543 -14.507  1.00  1.14           H  
ATOM    495 1HZ  LYS A  28     -10.865   3.280 -16.342  1.00  1.14           H  
ATOM    496 2HZ  LYS A  28      -9.238   3.475 -16.530  1.00  1.14           H  
ATOM    497 3HZ  LYS A  28      -9.843   2.023 -16.038  1.00  1.14           H  
ATOM    498  N   ARG A  29      -4.370   3.552 -10.142  1.00  0.61           N  
ATOM    499  CA  ARG A  29      -3.160   2.971  -9.557  1.00  0.72           C  
ATOM    500  C   ARG A  29      -3.189   3.067  -8.034  1.00  0.81           C  
ATOM    501  O   ARG A  29      -2.832   2.123  -7.317  1.00  0.99           O  
ATOM    502  CB  ARG A  29      -1.909   3.674 -10.055  1.00  0.97           C  
ATOM    503  CG  ARG A  29      -1.533   3.436 -11.491  1.00  0.97           C  
ATOM    504  CD  ARG A  29      -0.221   4.056 -11.794  1.00  0.97           C  
ATOM    505  NE  ARG A  29       0.190   3.840 -13.168  1.00  0.97           N  
ATOM    506  CZ  ARG A  29      -0.008   4.662 -14.203  1.00  0.97           C  
ATOM    507  NH1 ARG A  29      -0.648   5.804 -14.065  1.00  0.97           N  
ATOM    508  NH2 ARG A  29       0.475   4.277 -15.364  1.00  0.97           N  
ATOM    509  H   ARG A  29      -4.308   4.335 -10.809  1.00  0.73           H  
ATOM    510  HA  ARG A  29      -3.110   1.925  -9.838  1.00  0.86           H  
ATOM    511 1HB  ARG A  29      -2.013   4.747  -9.913  1.00  1.16           H  
ATOM    512 2HB  ARG A  29      -1.079   3.356  -9.463  1.00  1.16           H  
ATOM    513 1HG  ARG A  29      -1.453   2.367 -11.676  1.00  1.16           H  
ATOM    514 2HG  ARG A  29      -2.284   3.867 -12.149  1.00  1.16           H  
ATOM    515 1HD  ARG A  29      -0.256   5.123 -11.593  1.00  1.16           H  
ATOM    516 2HD  ARG A  29       0.531   3.602 -11.157  1.00  1.16           H  
ATOM    517  HE  ARG A  29       0.716   2.975 -13.389  1.00  1.16           H  
ATOM    518 1HH1 ARG A  29      -0.990   6.067 -13.156  1.00  1.16           H  
ATOM    519 2HH1 ARG A  29      -0.772   6.416 -14.858  1.00  1.16           H  
ATOM    520 1HH2 ARG A  29       0.989   3.370 -15.383  1.00  1.16           H  
ATOM    521 2HH2 ARG A  29       0.370   4.842 -16.189  1.00  1.16           H  
ATOM    522  N   LEU A  30      -3.635   4.214  -7.529  1.00  0.80           N  
ATOM    523  CA  LEU A  30      -3.735   4.433  -6.098  1.00  0.98           C  
ATOM    524  C   LEU A  30      -4.691   3.435  -5.459  1.00  1.03           C  
ATOM    525  O   LEU A  30      -4.339   2.735  -4.509  1.00  1.19           O  
ATOM    526  CB  LEU A  30      -4.233   5.869  -5.857  1.00  1.30           C  
ATOM    527  CG  LEU A  30      -4.275   6.435  -4.408  1.00  1.30           C  
ATOM    528  CD1 LEU A  30      -4.171   7.952  -4.515  1.00  1.30           C  
ATOM    529  CD2 LEU A  30      -5.601   6.051  -3.690  1.00  1.30           C  
ATOM    530  H   LEU A  30      -3.869   4.982  -8.170  1.00  0.96           H  
ATOM    531  HA  LEU A  30      -2.758   4.306  -5.653  1.00  1.18           H  
ATOM    532 1HB  LEU A  30      -3.625   6.535  -6.460  1.00  1.56           H  
ATOM    533 2HB  LEU A  30      -5.245   5.930  -6.236  1.00  1.56           H  
ATOM    534  HG  LEU A  30      -3.417   6.065  -3.832  1.00  1.56           H  
ATOM    535 1HD1 LEU A  30      -4.185   8.395  -3.516  1.00  1.56           H  
ATOM    536 2HD1 LEU A  30      -3.250   8.214  -5.013  1.00  1.56           H  
ATOM    537 3HD1 LEU A  30      -5.009   8.336  -5.090  1.00  1.56           H  
ATOM    538 1HD2 LEU A  30      -5.605   6.495  -2.693  1.00  1.56           H  
ATOM    539 2HD2 LEU A  30      -6.446   6.426  -4.257  1.00  1.56           H  
ATOM    540 3HD2 LEU A  30      -5.703   4.987  -3.586  1.00  1.56           H  
ATOM    541  N   LEU A  31      -5.903   3.336  -5.992  1.00  0.97           N  
ATOM    542  CA  LEU A  31      -6.928   2.493  -5.393  1.00  1.13           C  
ATOM    543  C   LEU A  31      -6.552   1.024  -5.373  1.00  1.12           C  
ATOM    544  O   LEU A  31      -6.852   0.309  -4.416  1.00  1.24           O  
ATOM    545  CB  LEU A  31      -8.245   2.688  -6.144  1.00  1.52           C  
ATOM    546  CG  LEU A  31      -8.925   4.078  -5.986  1.00  1.52           C  
ATOM    547  CD1 LEU A  31     -10.075   4.159  -6.960  1.00  1.52           C  
ATOM    548  CD2 LEU A  31      -9.421   4.282  -4.555  1.00  1.52           C  
ATOM    549  H   LEU A  31      -6.132   3.906  -6.811  1.00  1.16           H  
ATOM    550  HA  LEU A  31      -7.049   2.801  -4.362  1.00  1.36           H  
ATOM    551 1HB  LEU A  31      -8.044   2.542  -7.209  1.00  1.82           H  
ATOM    552 2HB  LEU A  31      -8.948   1.925  -5.818  1.00  1.82           H  
ATOM    553  HG  LEU A  31      -8.215   4.861  -6.228  1.00  1.82           H  
ATOM    554 1HD1 LEU A  31     -10.556   5.129  -6.875  1.00  1.82           H  
ATOM    555 2HD1 LEU A  31      -9.698   4.028  -7.976  1.00  1.82           H  
ATOM    556 3HD1 LEU A  31     -10.799   3.377  -6.737  1.00  1.82           H  
ATOM    557 1HD2 LEU A  31      -9.898   5.247  -4.480  1.00  1.82           H  
ATOM    558 2HD2 LEU A  31     -10.141   3.503  -4.303  1.00  1.82           H  
ATOM    559 3HD2 LEU A  31      -8.598   4.249  -3.853  1.00  1.82           H  
ATOM    560  N   ARG A  32      -5.860   0.577  -6.412  1.00  1.08           N  
ATOM    561  CA  ARG A  32      -5.432  -0.806  -6.534  1.00  1.18           C  
ATOM    562  C   ARG A  32      -4.158  -1.132  -5.758  1.00  1.15           C  
ATOM    563  O   ARG A  32      -3.724  -2.285  -5.755  1.00  1.27           O  
ATOM    564  CB  ARG A  32      -5.189  -1.155  -7.988  1.00  1.62           C  
ATOM    565  CG  ARG A  32      -6.424  -1.141  -8.866  1.00  1.62           C  
ATOM    566  CD  ARG A  32      -6.080  -1.385 -10.278  1.00  1.62           C  
ATOM    567  NE  ARG A  32      -5.288  -0.295 -10.849  1.00  1.62           N  
ATOM    568  CZ  ARG A  32      -4.644  -0.358 -12.041  1.00  1.62           C  
ATOM    569  NH1 ARG A  32      -4.705  -1.458 -12.770  1.00  1.62           N  
ATOM    570  NH2 ARG A  32      -3.951   0.673 -12.488  1.00  1.62           N  
ATOM    571  H   ARG A  32      -5.674   1.217  -7.192  1.00  1.30           H  
ATOM    572  HA  ARG A  32      -6.234  -1.438  -6.154  1.00  1.42           H  
ATOM    573 1HB  ARG A  32      -4.475  -0.439  -8.399  1.00  1.94           H  
ATOM    574 2HB  ARG A  32      -4.737  -2.142  -8.057  1.00  1.94           H  
ATOM    575 1HG  ARG A  32      -7.109  -1.920  -8.537  1.00  1.94           H  
ATOM    576 2HG  ARG A  32      -6.917  -0.173  -8.793  1.00  1.94           H  
ATOM    577 1HD  ARG A  32      -5.502  -2.305 -10.343  1.00  1.94           H  
ATOM    578 2HD  ARG A  32      -6.997  -1.483 -10.858  1.00  1.94           H  
ATOM    579  HE  ARG A  32      -5.232   0.580 -10.305  1.00  1.94           H  
ATOM    580 1HH1 ARG A  32      -5.231  -2.256 -12.446  1.00  1.94           H  
ATOM    581 2HH1 ARG A  32      -4.226  -1.505 -13.659  1.00  1.94           H  
ATOM    582 1HH2 ARG A  32      -3.885   1.523 -11.945  1.00  1.94           H  
ATOM    583 2HH2 ARG A  32      -3.478   0.617 -13.377  1.00  1.94           H  
ATOM    584  N   ASP A  33      -3.526  -0.126  -5.141  1.00  1.09           N  
ATOM    585  CA  ASP A  33      -2.242  -0.285  -4.458  1.00  1.17           C  
ATOM    586  C   ASP A  33      -1.253  -0.863  -5.475  1.00  1.12           C  
ATOM    587  O   ASP A  33      -0.511  -1.805  -5.186  1.00  1.35           O  
ATOM    588  CB  ASP A  33      -2.379  -1.212  -3.219  1.00  1.61           C  
ATOM    589  CG  ASP A  33      -1.258  -1.006  -2.123  1.00  1.61           C  
ATOM    590  OD1 ASP A  33      -0.702   0.067  -2.085  1.00  1.61           O  
ATOM    591  OD2 ASP A  33      -1.003  -1.864  -1.278  1.00  1.61           O  
ATOM    592  H   ASP A  33      -3.951   0.806  -5.124  1.00  1.31           H  
ATOM    593  HA  ASP A  33      -1.888   0.697  -4.142  1.00  1.40           H  
ATOM    594 1HB  ASP A  33      -3.353  -1.043  -2.760  1.00  1.93           H  
ATOM    595 2HB  ASP A  33      -2.356  -2.254  -3.548  1.00  1.93           H  
ATOM    596  N   ALA A  34      -1.281  -0.296  -6.689  1.00  1.21           N  
ATOM    597  CA  ALA A  34      -0.451  -0.716  -7.803  1.00  1.44           C  
ATOM    598  C   ALA A  34       1.024  -0.538  -7.520  1.00  1.40           C  
ATOM    599  O   ALA A  34       1.432   0.400  -6.844  1.00  1.58           O  
ATOM    600  CB  ALA A  34      -0.819   0.074  -9.050  1.00  1.93           C  
ATOM    601  H   ALA A  34      -1.919   0.489  -6.844  1.00  1.45           H  
ATOM    602  HA  ALA A  34      -0.637  -1.775  -7.978  1.00  1.73           H  
ATOM    603 1HB  ALA A  34      -0.219  -0.265  -9.892  1.00  2.32           H  
ATOM    604 2HB  ALA A  34      -1.874  -0.077  -9.267  1.00  2.32           H  
ATOM    605 3HB  ALA A  34      -0.628   1.125  -8.868  1.00  2.32           H  
ATOM    606  N   ASP A  35       1.830  -1.428  -8.094  1.00  1.52           N  
ATOM    607  CA  ASP A  35       3.276  -1.381  -8.008  1.00  1.76           C  
ATOM    608  C   ASP A  35       3.895  -0.776  -9.269  1.00  1.75           C  
ATOM    609  O   ASP A  35       5.100  -0.869  -9.519  1.00  2.33           O  
ATOM    610  CB  ASP A  35       3.802  -2.782  -7.726  1.00  2.37           C  
ATOM    611  CG  ASP A  35       3.330  -3.769  -8.773  1.00  2.37           C  
ATOM    612  OD1 ASP A  35       2.410  -3.406  -9.503  1.00  2.37           O  
ATOM    613  OD2 ASP A  35       3.839  -4.862  -8.839  1.00  2.37           O  
ATOM    614  H   ASP A  35       1.448  -2.206  -8.641  1.00  1.82           H  
ATOM    615  HA  ASP A  35       3.536  -0.758  -7.164  1.00  2.11           H  
ATOM    616 1HB  ASP A  35       4.892  -2.765  -7.712  1.00  2.84           H  
ATOM    617 2HB  ASP A  35       3.461  -3.107  -6.743  1.00  2.84           H  
ATOM    618  N   ASP A  36       3.064  -0.107 -10.061  1.00  1.68           N  
ATOM    619  CA  ASP A  36       3.494   0.524 -11.298  1.00  2.09           C  
ATOM    620  C   ASP A  36       4.173   1.856 -11.001  1.00  2.19           C  
ATOM    621  O   ASP A  36       3.567   2.925 -11.153  1.00  2.70           O  
ATOM    622  CB  ASP A  36       2.291   0.757 -12.219  1.00  2.76           C  
ATOM    623  CG  ASP A  36       2.674   1.224 -13.630  1.00  2.76           C  
ATOM    624  OD1 ASP A  36       3.804   1.028 -14.014  1.00  2.76           O  
ATOM    625  OD2 ASP A  36       1.824   1.812 -14.295  1.00  2.76           O  
ATOM    626  H   ASP A  36       2.093  -0.064  -9.797  1.00  2.02           H  
ATOM    627  HA  ASP A  36       4.210  -0.128 -11.798  1.00  2.51           H  
ATOM    628 1HB  ASP A  36       1.725  -0.171 -12.305  1.00  3.31           H  
ATOM    629 2HB  ASP A  36       1.634   1.492 -11.765  1.00  3.31           H  
ATOM    630  N   LEU A  37       5.411   1.763 -10.520  1.00  2.23           N  
ATOM    631  CA  LEU A  37       6.198   2.907 -10.075  1.00  2.72           C  
ATOM    632  C   LEU A  37       7.602   2.512  -9.616  1.00  3.14           C  
ATOM    633  O   LEU A  37       8.544   3.292  -9.761  1.00  3.56           O  
ATOM    634  OXT LEU A  37       7.769   1.482  -8.967  1.00  4.08           O  
ATOM    635  CB  LEU A  37       5.446   3.596  -8.934  1.00  3.38           C  
ATOM    636  CG  LEU A  37       6.104   4.722  -8.189  1.00  3.38           C  
ATOM    637  CD1 LEU A  37       6.313   5.912  -9.093  1.00  3.38           C  
ATOM    638  CD2 LEU A  37       5.204   5.072  -7.022  1.00  3.38           C  
ATOM    639  H   LEU A  37       5.769   0.811 -10.406  1.00  2.68           H  
ATOM    640  HA  LEU A  37       6.290   3.591 -10.916  1.00  3.26           H  
ATOM    641 1HB  LEU A  37       4.543   4.029  -9.327  1.00  4.06           H  
ATOM    642 2HB  LEU A  37       5.168   2.860  -8.249  1.00  4.06           H  
ATOM    643  HG  LEU A  37       7.081   4.405  -7.818  1.00  4.06           H  
ATOM    644 1HD1 LEU A  37       6.782   6.713  -8.525  1.00  4.06           H  
ATOM    645 2HD1 LEU A  37       6.963   5.634  -9.921  1.00  4.06           H  
ATOM    646 3HD1 LEU A  37       5.355   6.246  -9.479  1.00  4.06           H  
ATOM    647 1HD2 LEU A  37       5.662   5.864  -6.467  1.00  4.06           H  
ATOM    648 2HD2 LEU A  37       4.237   5.383  -7.392  1.00  4.06           H  
ATOM    649 3HD2 LEU A  37       5.077   4.229  -6.388  1.00  4.06           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 -210.566 21.4498 165.356 -15.5355 3.51427 11.5741 88.0859 -89.227 -0.17308 -1.06582 -81.7111 -8.64933 -34.0611 -1.5421 -4.58037 -3.3238 0 0.33713 2.40265 24.0614 37.6373 -5.85829 0.624 -16.0259 -8.16273 16.6831 -108.757
ASP:NtermProteinFull_1 -3.38715 0.64013 5.89581 -0.11822 0.01122 0.35163 3.71609 -2.37157 -0.01512 -0.06094 -6.39703 -0.86337 0 0 -1.99454 0 0 0.03994 0.02406 0 2.12609 0 0 -2.3716 0 0.37233 -4.40224
TRP_2 -5.40318 0.64819 2.60939 -1.40461 0.12033 0.64765 2.21546 -1.85582 -0 -0 -3.52495 -0.38719 0 0 -0.65575 0 0 -0.08909 0.4828 0 2.14859 -0.16052 0 1.6906 0.13023 0.65984 -2.12803
PHE_3 -9.50717 1.31105 4.56569 -0.64008 0.13231 0.32579 2.66922 -3.118 -0 -0 -2.33994 0.03686 0 0 0 0 0 -0.02194 0.0322 0 3.46217 -0.07399 0 1.0402 0.20628 0.66227 -1.25708
LYS_4 -6.20013 0.42972 6.4473 -0.44038 0.12589 0.17082 3.04566 -2.82695 -0.02705 -0.12047 -2.28559 -0.0194 0 0 0 0 0 -0.06091 0.06562 2.67151 0 -0.04747 0 -1.5107 -0.19509 0.64479 -0.13281
ALA_5 -3.58686 0.2109 4.19675 -0.02124 0 0 2.36186 -2.13001 -0.01714 -0.09153 -1.76675 -0.36936 0 0 0 0 0 0.04479 0 0 0 -0.13879 0 1.8394 -0.40011 0.37201 0.50391
PHE_6 -7.50795 1.19101 3.13131 -0.93724 0.13347 0.31701 2.39812 -2.44843 -0 -0 -1.74364 -0.02635 0 0 0 0 0 0.04632 0.0013 0 1.87688 -0.42734 0 1.0402 -0.05728 0.24195 -2.77066
TYR_7 -13.0084 1.08036 6.09248 -0.52294 0.10426 0.24863 3.50355 -4.17246 -0 -0 -3.09598 -0.33387 0 0 -0.29565 0 0 -0.03835 0.06041 0 2.9751 0.13625 0.02257 1.2797 -0.06713 0.41051 -5.62096
ASP_8 -4.8754 0.37265 5.49343 -0.19914 0.00012 0.65017 2.59631 -2.73962 -0.01696 -0.16102 -2.31353 -0.18992 0 0 0 0 0 0.03564 0.02906 0 3.06779 0.32561 0 -2.3716 -0.10077 0.40449 0.00731
LYS_9 -4.0989 0.16494 4.99422 -0.30278 0.03093 0.13556 2.13603 -2.32646 -0 -0 -1.72416 -0.00623 0 0 0 0 0 0.01143 0.01469 1.73474 0 -0.00688 0 -1.5107 -0.18495 0.20834 -0.73019
VAL_10 -7.06957 1.09115 3.84222 -0.31928 0.23406 0.07241 3.1205 -2.76633 -0 -0 -2.68238 -0.18582 0 0 0 0 0 -0.05986 0.00221 0.15831 0 -0.25718 0 1.9342 -0.31586 0.30884 -2.89238
ALA_11 -6.25125 0.87831 4.73556 -0.02156 0 0 3.1107 -3.05656 -0 -0 -2.68544 -0.35717 0 0 0 0 0 0.00209 0 0 0 -0.35713 0 1.8394 -0.35251 0.52068 -1.99487
GLU_12 -4.2645 0.21881 6.05156 -0.47781 0.09152 0.95401 2.35943 -2.58073 -0.01494 -0.13043 -3.06301 -0.55001 0 0 0 -0.70634 0 0.31609 0.01463 0 3.5078 -0.35453 0 -2.7348 -0.61165 0.45199 -1.52291
LYS_13 -4.8318 0.40362 4.89486 -0.40285 0.05152 0.20598 2.92992 -2.47084 -0.01858 -0.0865 -2.66474 -0.09504 0 0 0 0 0 -0.01932 0.01126 2.13712 0 -0.03249 0 -1.5107 -0.3399 0.31357 -1.52492
PHE_14 -10.9842 1.54809 3.36264 -0.54093 0.28932 0.21069 3.05989 -3.08287 -0 -0 -1.54471 -0.18473 0 0 0 0 0 -0.04774 0.131 0 4.07987 0.18848 0 1.0402 -0.09787 0.48262 -2.09028
LYS_15 -4.81503 0.41329 5.10348 -0.31771 0.0267 0.15569 2.22136 -2.23839 -0 -0 -3.58019 -0.03044 0 0 0 -0.70634 0 -0.09568 0.12854 1.74303 0 -0.03748 0 -1.5107 -0.20582 0.53638 -3.20929
GLU_16 -2.06913 0.30516 2.78018 -0.20208 0.02855 0.30057 1.11894 -1.28578 -0 -0 -0.22647 -0.54556 0 0 0 0 0 -0.01192 0.01008 0 2.92213 -0.08725 0 -2.7348 0.1297 0.28274 0.71505
ALA_17 -2.98386 0.2486 1.48474 -0.02477 0.00063 0 1.01096 -1.18772 -0 -0 -0.46831 -0.34138 0 0 0 0 0 0.01174 0 0 0 0.23446 0 1.8394 0.29715 0.44247 0.56411
PHE_18 -6.61942 1.05942 1.68714 -0.53956 0.10493 0.23215 1.42269 -1.55549 -0.01858 -0.0865 -0.04428 -0.01646 0 0 0 0 0 0.28089 0.38941 0 2.3077 -0.33682 0 1.0402 0.0744 1.15874 0.54055
PRO_19 -3.35194 0.66078 2.96638 -0.11789 0.00064 0.08848 1.71758 -1.30116 -0 -0 -1.92692 0.25277 0 0 0 0 0 -0.02781 0.05318 0.15585 0 -1.13856 0 -2.4119 -0.3578 1.02977 -3.70857
ALA_20 -3.39751 0.32099 3.63633 -0.02327 0 0 1.74081 -1.87673 -0.0045 -0.03332 -1.61261 -0.35928 0 0 0 0 0 -0.09766 0 0 0 -0.31174 0 1.8394 -0.37045 0.43382 -0.11571
SER_21 -3.83978 0.29709 4.45844 -0.02431 0 0.02224 1.42432 -2.08349 -0 -0 -1.05196 -0.43655 0 0 0 0 0 -0.07374 0.00084 0.64504 0 0.23045 0.60143 -0.77834 -0.09592 0.26578 -0.43848
HIS_22 -6.28709 0.63009 4.69225 -0.43854 0.00802 0.48746 2.26143 -2.39898 -0 -0 -2.07427 -0.28676 0 0 0 0 0 0.03536 0.00041 0 2.32349 -0.06499 0 -0.45461 -0.09291 0.21712 -1.44253
LEU_23 -7.00525 0.45125 4.36908 -0.67463 0.18743 0.25672 2.52152 -2.65294 -0 -0 -1.78474 0.07038 0 0 0 0 0 0.00479 0.00816 0.96647 0 -0.25858 0 0.18072 -0.12702 0.33513 -3.15151
ARG_24 -5.85914 0.30498 6.61621 -0.72114 0.09751 0.45303 2.51081 -3.16439 -0 -0 -2.62243 0.34414 0 0 0 0 0 0.03047 0.04673 1.44988 0 -0.04395 0 -1.2888 -0.26022 0.32224 -1.78406
LYS_25 -4.865 0.20027 5.75441 -0.29933 0.0266 0.13124 2.40443 -2.58349 -0.0045 -0.03332 -2.01963 -0.02002 0 0 0 0 0 0.01127 0.00958 1.73699 0 -0.00784 0 -1.5107 -0.3629 0.20739 -1.22455
LEU_26 -8.86938 1.12264 4.21813 -0.72736 0.2546 0.2767 3.08012 -3.03605 -0 -0 -2.26247 0.16589 0 0 0 0 0 0.00762 0.00974 0.91943 0 -0.24239 0 0.18072 -0.3171 0.38063 -4.83854
ARG_27 -6.72374 0.36937 5.96963 -0.86005 0.20969 0.6278 2.82488 -2.95435 -0 -0 -2.53616 0.11658 0 0 0 0 0 0.06896 0.07753 2.88733 0 -0.10714 0 -1.2888 -0.3232 0.4901 -1.15156
LYS_28 -5.72001 0.29417 6.29789 -0.29866 0.02537 0.13003 2.72456 -2.86261 -0 -0 -2.72019 -0.0231 0 0 0 0 0 0.06504 0.00418 1.73329 0 0.00697 0 -1.5107 -0.43513 0.30906 -1.97985
ARG_29 -9.19522 0.46244 8.39175 -0.57816 0.0933 0.31612 4.26351 -3.96884 -0 -0 -4.55532 0.31811 0 0 0 -0.95556 0 0.02553 0.02224 1.898 0 -0.0855 0 -1.2888 -0.40687 0.47377 -4.76949
LEU_30 -8.539 0.63908 5.61413 -0.62271 0.38553 0.21105 2.59328 -3.08716 -0.00227 -0.03934 -1.80312 -0.1089 0 0 0 0 0 0.07281 0.02518 1.10132 0 -0.16959 0 0.18072 -0.07291 0.62589 -2.99601
LEU_31 -4.99065 0.28869 3.72999 -0.49885 0.258 0.12143 1.44612 -1.95661 -0 -0 -0.80634 0.24852 0 0 0 0 0 -0.03617 0.02788 0.27298 0 -0.29895 0 0.18072 -0.06658 0.4259 -1.65393
ARG_32 -5.00262 0.35579 5.14842 -0.70734 0.13118 0.50281 1.85872 -2.40128 -0 -0 -1.46006 0.49019 0 0 0 0 0 0.044 0.01001 1.58479 0 -0.03951 0 -1.2888 -0.45198 0.3119 -0.91376
ASP_33 -3.82594 0.43604 6.39939 -0.21162 0.03737 0.70229 3.32523 -2.60719 -0.02931 -0.15981 -5.03537 -0.58434 0 0 -1.33879 0 0 -0.04036 0.19732 0 2.12867 -0.58532 0 -2.3716 -0.49512 0.53709 -3.52138
ALA_34 -4.48112 0.37219 2.9456 -0.02463 0 0 2.24043 -2.02094 -0 -0 -0.58087 -0.1856 0 0 0 0 0 -0.02011 0 0 0 -0.1659 0 1.8394 -0.67967 0.47131 -0.2899
ASP_35 -2.59037 0.29429 2.20008 -0.23952 0.08236 0.80961 1.12921 -1.23481 -0.00207 -0.03131 -0.69982 -3.57538 0 0 0 0 0 -0.06598 0.30484 0 2.59315 -0.44257 0 -2.3716 -0.73797 0.29608 -4.28178
ASP_36 -3.30074 0.32101 4.15096 -0.2503 0.04576 0.82092 1.90986 -1.78506 -0.00207 -0.03131 -2.90169 -0.62192 0 0 -0.29565 -0.95556 0 -0.01103 0.00943 0 2.1179 -0.70012 0 -2.3716 -0.35679 0.37093 -3.83709
LEU:CtermProteinFull_37 -5.25752 1.41325 0.42768 -0.784 0.18513 0.63742 1.11237 -1.03687 -0 -0 -1.10604 0.01137 0 0 0 0 0 0 0.19814 0.2653 0 0 0 0.18072 -0.06102 0.70468 -3.10939
#END_POSE_ENERGIES_TABLE best_scoring0001_0001.pdb

ENDMDL

REMARK ID 691853 DOMAINID 682969 MODEL 3 pep3_AB
MODEL     3
REMARK    Rerank model02.pdb to model03.pdb score: 13.825
REMARK    CLUSTER 0002 t000_.out.valid.rescored.best_scoring.binary cluster_size: 12 cluster_threshold: 1.755808
REMARK    SCORE     description: cluster0002_0001
REMARK    SCORE         p_aa_pp:          -5.521
REMARK    SCORE     total_score:         -87.053
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE           omega:           0.268
REMARK    SCORE          fa_atr:        -206.157
REMARK    SCORE     rama_prepro:          -7.413
REMARK    SCORE     hbond_lr_bb:           0.000
REMARK    SCORE     lk_ball_wtd:          -8.252
REMARK    SCORE fa_intra_sol_xover4:           8.269
REMARK    SCORE     hbond_bb_sc:           0.000
REMARK    SCORE        hbond_sc:          -1.635
REMARK    SCORE    fa_intra_rep:           0.385
REMARK    SCORE           score:         -87.053
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE          fa_sol:         132.250
REMARK    SCORE     hbond_sr_bb:         -30.637
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE            time:           0.000
REMARK    SCORE          fa_rep:          21.686
REMARK    SCORE             ref:           2.212
REMARK    SCORE          fa_dun:          46.197
REMARK    SCORE         fa_elec:         -57.089
REMARK    SCORE     cart_bonded:          18.383
REMARK    SCORE linear_chainbreak:           0.000
ATOM      1  N   ASP A   1       0.096   0.067  -0.420  1.00  2.540          N  
ATOM      2  CA  ASP A   1       1.530   0.106  -0.165  1.00  2.080          C  
ATOM      3  C   ASP A   1       2.082   1.526  -0.042  1.00  1.590          C  
ATOM      4  O   ASP A   1       2.756   1.854   0.941  1.00  1.510          O  
ATOM      5  CB  ASP A   1       2.266  -0.628  -1.276  1.00  3.100          C  
ATOM      6  CG  ASP A   1       1.866  -2.055  -1.290  1.00  3.100          C  
ATOM      7  OD1 ASP A   1       1.194  -2.438  -0.361  1.00  3.100          O  
ATOM      8  OD2 ASP A   1       2.192  -2.745  -2.208  1.00  3.100          O  
ATOM      9 1H   ASP A   1      -0.229  -0.860  -0.164  1.00  3.050          H  
ATOM     10 2H   ASP A   1      -0.379   0.759   0.139  1.00  3.050          H  
ATOM     11 3H   ASP A   1      -0.092   0.219  -1.398  1.00  3.050          H  
ATOM     12  HA  ASP A   1       1.720  -0.409   0.777  1.00  2.500          H  
ATOM     13 1HB  ASP A   1       2.042  -0.182  -2.243  1.00  3.720          H  
ATOM     14 2HB  ASP A   1       3.343  -0.559  -1.117  1.00  3.720          H  
ATOM     15  N   TRP A   2       1.800   2.376  -1.039  1.00  1.470          N  
ATOM     16  CA  TRP A   2       2.317   3.746  -1.020  1.00  1.240          C  
ATOM     17  C   TRP A   2       1.856   4.597   0.153  1.00  1.150          C  
ATOM     18  O   TRP A   2       2.667   5.284   0.760  1.00  0.990          O  
ATOM     19  CB  TRP A   2       2.059   4.477  -2.329  1.00  1.830          C  
ATOM     20  CG  TRP A   2       2.557   5.895  -2.278  1.00  1.830          C  
ATOM     21  CD1 TRP A   2       3.847   6.305  -2.419  1.00  1.830          C  
ATOM     22  CD2 TRP A   2       1.774   7.097  -2.121  1.00  1.830          C  
ATOM     23  NE1 TRP A   2       3.923   7.669  -2.333  1.00  1.830          N  
ATOM     24  CE2 TRP A   2       2.663   8.171  -2.152  1.00  1.830          C  
ATOM     25  CE3 TRP A   2       0.424   7.344  -1.969  1.00  1.830          C  
ATOM     26  CZ2 TRP A   2       2.235   9.478  -2.024  1.00  1.830          C  
ATOM     27  CZ3 TRP A   2      -0.001   8.646  -1.856  1.00  1.830          C  
ATOM     28  CH2 TRP A   2       0.880   9.687  -1.876  1.00  1.830          C  
ATOM     29  H   TRP A   2       1.252   2.078  -1.833  1.00  1.760          H  
ATOM     30  HA  TRP A   2       3.401   3.668  -0.946  1.00  1.490          H  
ATOM     31 1HB  TRP A   2       2.564   3.963  -3.145  1.00  2.190          H  
ATOM     32 2HB  TRP A   2       0.996   4.486  -2.547  1.00  2.190          H  
ATOM     33  HD1 TRP A   2       4.696   5.642  -2.570  1.00  2.190          H  
ATOM     34  HE1 TRP A   2       4.766   8.217  -2.402  1.00  2.190          H  
ATOM     35  HE3 TRP A   2      -0.291   6.525  -1.951  1.00  2.190          H  
ATOM     36  HZ2 TRP A   2       2.922  10.322  -2.046  1.00  2.190          H  
ATOM     37  HZ3 TRP A   2      -1.067   8.825  -1.754  1.00  2.190          H  
ATOM     38  HH2 TRP A   2       0.501  10.703  -1.782  1.00  2.190          H  
ATOM     39  N   PHE A   3       0.573   4.577   0.520  1.00  1.420          N  
ATOM     40  CA  PHE A   3       0.177   5.460   1.621  1.00  1.530          C  
ATOM     41  C   PHE A   3       1.056   5.260   2.853  1.00  1.350          C  
ATOM     42  O   PHE A   3       1.538   6.231   3.446  1.00  1.330          O  
ATOM     43  CB  PHE A   3      -1.260   5.189   2.074  1.00  2.100          C  
ATOM     44  CG  PHE A   3      -2.425   5.735   1.240  1.00  2.100          C  
ATOM     45  CD1 PHE A   3      -2.293   6.770   0.335  1.00  2.100          C  
ATOM     46  CD2 PHE A   3      -3.697   5.212   1.432  1.00  2.100          C  
ATOM     47  CE1 PHE A   3      -3.374   7.264  -0.343  1.00  2.100          C  
ATOM     48  CE2 PHE A   3      -4.781   5.712   0.753  1.00  2.100          C  
ATOM     49  CZ  PHE A   3      -4.612   6.742  -0.135  1.00  2.100          C  
ATOM     50  H   PHE A   3      -0.102   4.005   0.037  1.00  1.700          H  
ATOM     51  HA  PHE A   3       0.301   6.491   1.301  1.00  1.840          H  
ATOM     52 1HB  PHE A   3      -1.398   4.114   2.154  1.00  2.520          H  
ATOM     53 2HB  PHE A   3      -1.357   5.579   3.076  1.00  2.520          H  
ATOM     54  HD1 PHE A   3      -1.344   7.211   0.157  1.00  2.520          H  
ATOM     55  HD2 PHE A   3      -3.842   4.403   2.150  1.00  2.520          H  
ATOM     56  HE1 PHE A   3      -3.256   8.094  -1.047  1.00  2.520          H  
ATOM     57  HE2 PHE A   3      -5.776   5.301   0.926  1.00  2.520          H  
ATOM     58  HZ  PHE A   3      -5.467   7.157  -0.672  1.00  2.520          H  
ATOM     59  N   LYS A   4       1.285   4.006   3.236  1.00  1.380          N  
ATOM     60  CA  LYS A   4       2.133   3.754   4.382  1.00  1.470          C  
ATOM     61  C   LYS A   4       3.567   4.163   4.086  1.00  1.180          C  
ATOM     62  O   LYS A   4       4.195   4.825   4.909  1.00  1.400          O  
ATOM     63  CB  LYS A   4       2.073   2.295   4.824  1.00  2.020          C  
ATOM     64  CG  LYS A   4       2.904   2.006   6.083  1.00  2.020          C  
ATOM     65  CD  LYS A   4       2.707   0.575   6.576  1.00  2.020          C  
ATOM     66  CE  LYS A   4       3.444   0.314   7.907  1.00  2.020          C  
ATOM     67  NZ  LYS A   4       4.951   0.245   7.758  1.00  2.020          N  
ATOM     68  H   LYS A   4       0.866   3.244   2.729  1.00  1.660          H  
ATOM     69  HA  LYS A   4       1.791   4.374   5.203  1.00  1.760          H  
ATOM     70 1HB  LYS A   4       1.040   2.014   5.019  1.00  2.430          H  
ATOM     71 2HB  LYS A   4       2.444   1.658   4.017  1.00  2.430          H  
ATOM     72 1HG  LYS A   4       3.963   2.159   5.861  1.00  2.430          H  
ATOM     73 2HG  LYS A   4       2.624   2.703   6.876  1.00  2.430          H  
ATOM     74 1HD  LYS A   4       1.642   0.386   6.722  1.00  2.430          H  
ATOM     75 2HD  LYS A   4       3.083  -0.119   5.824  1.00  2.430          H  
ATOM     76 1HE  LYS A   4       3.199   1.112   8.607  1.00  2.430          H  
ATOM     77 2HE  LYS A   4       3.092  -0.633   8.313  1.00  2.430          H  
ATOM     78 1HZ  LYS A   4       5.362   0.068   8.657  1.00  2.430          H  
ATOM     79 2HZ  LYS A   4       5.198  -0.496   7.128  1.00  2.430          H  
ATOM     80 3HZ  LYS A   4       5.358   1.132   7.396  1.00  2.430          H  
ATOM     81  N   ALA A   5       4.108   3.807   2.911  1.00  0.970          N  
ATOM     82  CA  ALA A   5       5.503   4.145   2.634  1.00  0.950          C  
ATOM     83  C   ALA A   5       5.736   5.645   2.727  1.00  0.830          C  
ATOM     84  O   ALA A   5       6.751   6.095   3.271  1.00  0.970          O  
ATOM     85  CB  ALA A   5       5.891   3.666   1.250  1.00  1.340          C  
ATOM     86  H   ALA A   5       3.570   3.267   2.226  1.00  1.160          H  
ATOM     87  HA  ALA A   5       6.125   3.651   3.381  1.00  1.140          H  
ATOM     88 1HB  ALA A   5       6.935   3.902   1.061  1.00  1.610          H  
ATOM     89 2HB  ALA A   5       5.737   2.590   1.186  1.00  1.610          H  
ATOM     90 3HB  ALA A   5       5.264   4.167   0.516  1.00  1.610          H  
ATOM     91  N   PHE A   6       4.768   6.414   2.236  1.00  0.780          N  
ATOM     92  CA  PHE A   6       4.806   7.858   2.261  1.00  0.880          C  
ATOM     93  C   PHE A   6       4.944   8.340   3.689  1.00  0.830          C  
ATOM     94  O   PHE A   6       5.857   9.110   4.012  1.00  0.810          O  
ATOM     95  CB  PHE A   6       3.529   8.422   1.644  1.00  1.190          C  
ATOM     96  CG  PHE A   6       3.406   9.893   1.701  1.00  1.190          C  
ATOM     97  CD1 PHE A   6       4.023  10.691   0.774  1.00  1.190          C  
ATOM     98  CD2 PHE A   6       2.666  10.484   2.698  1.00  1.190          C  
ATOM     99  CE1 PHE A   6       3.898  12.058   0.839  1.00  1.190          C  
ATOM    100  CE2 PHE A   6       2.537  11.839   2.772  1.00  1.190          C  
ATOM    101  CZ  PHE A   6       3.153  12.630   1.842  1.00  1.190          C  
ATOM    102  H   PHE A   6       3.973   5.957   1.788  1.00  0.940          H  
ATOM    103  HA  PHE A   6       5.670   8.197   1.690  1.00  1.060          H  
ATOM    104 1HB  PHE A   6       3.470   8.110   0.608  1.00  1.430          H  
ATOM    105 2HB  PHE A   6       2.667   7.996   2.140  1.00  1.430          H  
ATOM    106  HD1 PHE A   6       4.613  10.230  -0.018  1.00  1.430          H  
ATOM    107  HD2 PHE A   6       2.176   9.852   3.430  1.00  1.430          H  
ATOM    108  HE1 PHE A   6       4.390  12.689   0.098  1.00  1.430          H  
ATOM    109  HE2 PHE A   6       1.948  12.290   3.563  1.00  1.430          H  
ATOM    110  HZ  PHE A   6       3.053  13.714   1.897  1.00  1.430          H  
ATOM    111  N   TYR A   7       4.063   7.861   4.559  1.00  0.970          N  
ATOM    112  CA  TYR A   7       4.095   8.295   5.936  1.00  1.140          C  
ATOM    113  C   TYR A   7       5.285   7.775   6.721  1.00  1.010          C  
ATOM    114  O   TYR A   7       5.744   8.452   7.647  1.00  1.060          O  
ATOM    115  CB  TYR A   7       2.804   7.940   6.616  1.00  1.530          C  
ATOM    116  CG  TYR A   7       1.689   8.813   6.146  1.00  1.530          C  
ATOM    117  CD1 TYR A   7       0.603   8.252   5.587  1.00  1.530          C  
ATOM    118  CD2 TYR A   7       1.771  10.208   6.265  1.00  1.530          C  
ATOM    119  CE1 TYR A   7      -0.408   9.040   5.168  1.00  1.530          C  
ATOM    120  CE2 TYR A   7       0.747  10.996   5.852  1.00  1.530          C  
ATOM    121  CZ  TYR A   7      -0.348  10.420   5.307  1.00  1.530          C  
ATOM    122  OH  TYR A   7      -1.391  11.199   4.881  1.00  1.530          O  
ATOM    123  H   TYR A   7       3.325   7.227   4.224  1.00  1.160          H  
ATOM    124  HA  TYR A   7       4.187   9.373   5.924  1.00  1.370          H  
ATOM    125 1HB  TYR A   7       2.550   6.900   6.384  1.00  1.830          H  
ATOM    126 2HB  TYR A   7       2.909   8.021   7.687  1.00  1.830          H  
ATOM    127  HD1 TYR A   7       0.529   7.172   5.478  1.00  1.830          H  
ATOM    128  HD2 TYR A   7       2.646  10.670   6.705  1.00  1.830          H  
ATOM    129  HE1 TYR A   7      -1.250   8.587   4.734  1.00  1.830          H  
ATOM    130  HE2 TYR A   7       0.805  12.078   5.958  1.00  1.830          H  
ATOM    131  HH  TYR A   7      -1.206  12.121   5.071  1.00  1.830          H  
ATOM    132  N   ASP A   8       5.794   6.589   6.387  1.00  1.000          N  
ATOM    133  CA  ASP A   8       6.972   6.119   7.090  1.00  1.200          C  
ATOM    134  C   ASP A   8       8.126   7.069   6.785  1.00  1.000          C  
ATOM    135  O   ASP A   8       8.872   7.436   7.693  1.00  1.150          O  
ATOM    136  CB  ASP A   8       7.342   4.683   6.707  1.00  1.600          C  
ATOM    137  CG  ASP A   8       6.396   3.591   7.302  1.00  1.600          C  
ATOM    138  OD1 ASP A   8       5.625   3.877   8.188  1.00  1.600          O  
ATOM    139  OD2 ASP A   8       6.494   2.454   6.869  1.00  1.600          O  
ATOM    140  H   ASP A   8       5.333   6.016   5.678  1.00  1.200          H  
ATOM    141  HA  ASP A   8       6.776   6.145   8.160  1.00  1.440          H  
ATOM    142 1HB  ASP A   8       7.316   4.599   5.617  1.00  1.920          H  
ATOM    143 2HB  ASP A   8       8.364   4.477   7.023  1.00  1.920          H  
ATOM    144  N   LYS A   9       8.231   7.513   5.518  1.00  0.810          N  
ATOM    145  CA  LYS A   9       9.265   8.474   5.122  1.00  0.910          C  
ATOM    146  C   LYS A   9       9.083   9.800   5.870  1.00  0.790          C  
ATOM    147  O   LYS A   9      10.067  10.438   6.264  1.00  1.000          O  
ATOM    148  CB  LYS A   9       9.276   8.667   3.608  1.00  1.230          C  
ATOM    149  CG  LYS A   9       9.819   7.448   2.852  1.00  1.230          C  
ATOM    150  CD  LYS A   9       9.785   7.637   1.340  1.00  1.230          C  
ATOM    151  CE  LYS A   9      10.321   6.400   0.621  1.00  1.230          C  
ATOM    152  NZ  LYS A   9      10.285   6.552  -0.862  1.00  1.230          N  
ATOM    153  H   LYS A   9       7.601   7.118   4.810  1.00  0.970          H  
ATOM    154  HA  LYS A   9      10.235   8.065   5.410  1.00  1.090          H  
ATOM    155 1HB  LYS A   9       8.264   8.857   3.257  1.00  1.480          H  
ATOM    156 2HB  LYS A   9       9.886   9.532   3.353  1.00  1.480          H  
ATOM    157 1HG  LYS A   9      10.850   7.270   3.170  1.00  1.480          H  
ATOM    158 2HG  LYS A   9       9.231   6.573   3.118  1.00  1.480          H  
ATOM    159 1HD  LYS A   9       8.753   7.808   1.027  1.00  1.480          H  
ATOM    160 2HD  LYS A   9      10.383   8.503   1.061  1.00  1.480          H  
ATOM    161 1HE  LYS A   9      11.349   6.225   0.934  1.00  1.480          H  
ATOM    162 2HE  LYS A   9       9.714   5.537   0.902  1.00  1.480          H  
ATOM    163 1HZ  LYS A   9      10.646   5.713  -1.296  1.00  1.480          H  
ATOM    164 2HZ  LYS A   9       9.334   6.701  -1.161  1.00  1.480          H  
ATOM    165 3HZ  LYS A   9      10.852   7.342  -1.136  1.00  1.480          H  
ATOM    166  N   VAL A  10       7.828  10.215   6.078  1.00  0.610          N  
ATOM    167  CA  VAL A  10       7.589  11.436   6.835  1.00  0.700          C  
ATOM    168  C   VAL A  10       8.124  11.241   8.248  1.00  0.640          C  
ATOM    169  O   VAL A  10       8.865  12.083   8.759  1.00  0.640          O  
ATOM    170  CB  VAL A  10       6.080  11.784   6.914  1.00  0.940          C  
ATOM    171  CG1 VAL A  10       5.849  12.947   7.898  1.00  0.940          C  
ATOM    172  CG2 VAL A  10       5.544  12.157   5.529  1.00  0.940          C  
ATOM    173  H   VAL A  10       7.064   9.685   5.644  1.00  0.730          H  
ATOM    174  HA  VAL A  10       8.124  12.257   6.359  1.00  0.840          H  
ATOM    175  HB  VAL A  10       5.547  10.930   7.281  1.00  1.130          H  
ATOM    176 1HG1 VAL A  10       4.787  13.165   7.950  1.00  1.130          H  
ATOM    177 2HG1 VAL A  10       6.202  12.688   8.897  1.00  1.130          H  
ATOM    178 3HG1 VAL A  10       6.384  13.824   7.543  1.00  1.130          H  
ATOM    179 1HG2 VAL A  10       4.479  12.383   5.592  1.00  1.130          H  
ATOM    180 2HG2 VAL A  10       6.077  13.029   5.157  1.00  1.130          H  
ATOM    181 3HG2 VAL A  10       5.688  11.340   4.845  1.00  1.130          H  
ATOM    182  N   ALA A  11       7.796  10.111   8.874  1.00  0.760          N  
ATOM    183  CA  ALA A  11       8.280   9.874  10.224  1.00  0.870          C  
ATOM    184  C   ALA A  11       9.810   9.889  10.263  1.00  0.740          C  
ATOM    185  O   ALA A  11      10.394  10.432  11.203  1.00  0.720          O  
ATOM    186  CB  ALA A  11       7.743   8.563  10.752  1.00  1.170          C  
ATOM    187  H   ALA A  11       7.174   9.438   8.416  1.00  0.910          H  
ATOM    188  HA  ALA A  11       7.916  10.677  10.854  1.00  1.040          H  
ATOM    189 1HB  ALA A  11       8.085   8.412  11.772  1.00  1.410          H  
ATOM    190 2HB  ALA A  11       6.656   8.597  10.725  1.00  1.410          H  
ATOM    191 3HB  ALA A  11       8.096   7.746  10.122  1.00  1.410          H  
ATOM    192  N   GLU A  12      10.473   9.363   9.223  1.00  0.820          N  
ATOM    193  CA  GLU A  12      11.936   9.382   9.188  1.00  0.930          C  
ATOM    194  C   GLU A  12      12.462  10.819   9.224  1.00  0.840          C  
ATOM    195  O   GLU A  12      13.474  11.099   9.868  1.00  0.940          O  
ATOM    196  CB  GLU A  12      12.488   8.678   7.944  1.00  1.260          C  
ATOM    197  CG  GLU A  12      12.324   7.170   7.930  1.00  1.260          C  
ATOM    198  CD  GLU A  12      12.810   6.541   6.643  1.00  1.260          C  
ATOM    199  OE1 GLU A  12      13.104   7.270   5.723  1.00  1.260          O  
ATOM    200  OE2 GLU A  12      12.892   5.338   6.587  1.00  1.260          O  
ATOM    201  H   GLU A  12       9.942   8.875   8.492  1.00  0.980          H  
ATOM    202  HA  GLU A  12      12.306   8.860  10.062  1.00  1.120          H  
ATOM    203 1HB  GLU A  12      12.001   9.071   7.060  1.00  1.510          H  
ATOM    204 2HB  GLU A  12      13.549   8.896   7.852  1.00  1.510          H  
ATOM    205 1HG  GLU A  12      12.887   6.753   8.763  1.00  1.510          H  
ATOM    206 2HG  GLU A  12      11.281   6.925   8.080  1.00  1.510          H  
ATOM    207  N   LYS A  13      11.778  11.747   8.544  1.00  0.820          N  
ATOM    208  CA  LYS A  13      12.206  13.149   8.564  1.00  1.030          C  
ATOM    209  C   LYS A  13      12.114  13.690   9.996  1.00  1.070          C  
ATOM    210  O   LYS A  13      13.009  14.394  10.478  1.00  1.340          O  
ATOM    211  CB  LYS A  13      11.346  14.004   7.626  1.00  1.360          C  
ATOM    212  CG  LYS A  13      11.560  13.732   6.143  1.00  1.360          C  
ATOM    213  CD  LYS A  13      10.634  14.592   5.277  1.00  1.360          C  
ATOM    214  CE  LYS A  13      10.823  14.295   3.789  1.00  1.360          C  
ATOM    215  NZ  LYS A  13       9.901  15.105   2.934  1.00  1.360          N  
ATOM    216  H   LYS A  13      10.967  11.449   7.989  1.00  0.980          H  
ATOM    217  HA  LYS A  13      13.245  13.203   8.243  1.00  1.240          H  
ATOM    218 1HB  LYS A  13      10.297  13.841   7.844  1.00  1.630          H  
ATOM    219 2HB  LYS A  13      11.553  15.055   7.810  1.00  1.630          H  
ATOM    220 1HG  LYS A  13      12.597  13.944   5.886  1.00  1.630          H  
ATOM    221 2HG  LYS A  13      11.365  12.679   5.943  1.00  1.630          H  
ATOM    222 1HD  LYS A  13       9.596  14.384   5.548  1.00  1.630          H  
ATOM    223 2HD  LYS A  13      10.836  15.646   5.459  1.00  1.630          H  
ATOM    224 1HE  LYS A  13      11.851  14.519   3.509  1.00  1.630          H  
ATOM    225 2HE  LYS A  13      10.629  13.236   3.611  1.00  1.630          H  
ATOM    226 1HZ  LYS A  13      10.057  14.878   1.962  1.00  1.630          H  
ATOM    227 2HZ  LYS A  13       8.942  14.897   3.176  1.00  1.630          H  
ATOM    228 3HZ  LYS A  13      10.078  16.089   3.082  1.00  1.630          H  
ATOM    229  N   PHE A  14      11.034  13.310  10.684  1.00  0.950          N  
ATOM    230  CA  PHE A  14      10.782  13.692  12.072  1.00  1.180          C  
ATOM    231  C   PHE A  14      11.723  12.992  13.070  1.00  0.970          C  
ATOM    232  O   PHE A  14      12.042  13.548  14.126  1.00  1.000          O  
ATOM    233  CB  PHE A  14       9.329  13.387  12.455  1.00  1.560          C  
ATOM    234  CG  PHE A  14       8.253  14.363  11.962  1.00  1.560          C  
ATOM    235  CD1 PHE A  14       7.996  14.579  10.622  1.00  1.560          C  
ATOM    236  CD2 PHE A  14       7.449  15.017  12.879  1.00  1.560          C  
ATOM    237  CE1 PHE A  14       6.996  15.433  10.224  1.00  1.560          C  
ATOM    238  CE2 PHE A  14       6.451  15.869  12.484  1.00  1.560          C  
ATOM    239  CZ  PHE A  14       6.225  16.077  11.153  1.00  1.560          C  
ATOM    240  H   PHE A  14      10.333  12.761  10.169  1.00  1.140          H  
ATOM    241  HA  PHE A  14      10.937  14.768  12.154  1.00  1.420          H  
ATOM    242 1HB  PHE A  14       9.081  12.403  12.085  1.00  1.870          H  
ATOM    243 2HB  PHE A  14       9.256  13.343  13.531  1.00  1.870          H  
ATOM    244  HD1 PHE A  14       8.587  14.083   9.872  1.00  1.870          H  
ATOM    245  HD2 PHE A  14       7.617  14.849  13.937  1.00  1.870          H  
ATOM    246  HE1 PHE A  14       6.816  15.598   9.163  1.00  1.870          H  
ATOM    247  HE2 PHE A  14       5.838  16.376  13.228  1.00  1.870          H  
ATOM    248  HZ  PHE A  14       5.432  16.753  10.830  1.00  1.870          H  
ATOM    249  N   LYS A  15      12.222  11.791  12.754  1.00  0.840          N  
ATOM    250  CA  LYS A  15      13.068  11.063  13.708  1.00  0.710          C  
ATOM    251  C   LYS A  15      14.275  11.840  14.216  1.00  0.830          C  
ATOM    252  O   LYS A  15      14.656  11.686  15.375  1.00  0.860          O  
ATOM    253  CB  LYS A  15      13.573   9.718  13.167  1.00  1.050          C  
ATOM    254  CG  LYS A  15      12.527   8.596  13.062  1.00  1.050          C  
ATOM    255  CD  LYS A  15      13.165   7.292  12.578  1.00  1.050          C  
ATOM    256  CE  LYS A  15      12.133   6.181  12.400  1.00  1.050          C  
ATOM    257  NZ  LYS A  15      12.775   4.870  12.030  1.00  1.050          N  
ATOM    258  H   LYS A  15      11.928  11.336  11.885  1.00  1.010          H  
ATOM    259  HA  LYS A  15      12.460  10.841  14.565  1.00  0.850          H  
ATOM    260 1HB  LYS A  15      13.985   9.875  12.168  1.00  1.260          H  
ATOM    261 2HB  LYS A  15      14.384   9.362  13.799  1.00  1.260          H  
ATOM    262 1HG  LYS A  15      12.084   8.427  14.031  1.00  1.260          H  
ATOM    263 2HG  LYS A  15      11.749   8.877  12.389  1.00  1.260          H  
ATOM    264 1HD  LYS A  15      13.669   7.464  11.625  1.00  1.260          H  
ATOM    265 2HD  LYS A  15      13.909   6.966  13.304  1.00  1.260          H  
ATOM    266 1HE  LYS A  15      11.573   6.055  13.326  1.00  1.260          H  
ATOM    267 2HE  LYS A  15      11.441   6.471  11.605  1.00  1.260          H  
ATOM    268 1HZ  LYS A  15      12.059   4.164  11.917  1.00  1.260          H  
ATOM    269 2HZ  LYS A  15      13.298   4.952  11.169  1.00  1.260          H  
ATOM    270 3HZ  LYS A  15      13.405   4.589  12.769  1.00  1.260          H  
ATOM    271  N   GLU A  16      14.896  12.669  13.388  1.00  1.050          N  
ATOM    272  CA  GLU A  16      16.074  13.404  13.841  1.00  1.270          C  
ATOM    273  C   GLU A  16      15.732  14.707  14.576  1.00  1.280          C  
ATOM    274  O   GLU A  16      16.628  15.404  15.053  1.00  1.430          O  
ATOM    275  CB  GLU A  16      16.998  13.705  12.658  1.00  1.690          C  
ATOM    276  CG  GLU A  16      17.622  12.463  12.022  1.00  1.690          C  
ATOM    277  CD  GLU A  16      18.502  12.774  10.836  1.00  1.690          C  
ATOM    278  OE1 GLU A  16      18.592  13.922  10.469  1.00  1.690          O  
ATOM    279  OE2 GLU A  16      19.084  11.862  10.300  1.00  1.690          O  
ATOM    280  H   GLU A  16      14.572  12.782  12.429  1.00  1.260          H  
ATOM    281  HA  GLU A  16      16.621  12.766  14.536  1.00  1.520          H  
ATOM    282 1HB  GLU A  16      16.431  14.231  11.885  1.00  2.030          H  
ATOM    283 2HB  GLU A  16      17.804  14.363  12.980  1.00  2.030          H  
ATOM    284 1HG  GLU A  16      18.216  11.948  12.777  1.00  2.030          H  
ATOM    285 2HG  GLU A  16      16.822  11.791  11.709  1.00  2.030          H  
ATOM    286  N   ALA A  17      14.450  15.069  14.616  1.00  1.220          N  
ATOM    287  CA  ALA A  17      14.010  16.306  15.249  1.00  1.340          C  
ATOM    288  C   ALA A  17      13.186  16.087  16.526  1.00  1.060          C  
ATOM    289  O   ALA A  17      13.254  16.895  17.455  1.00  1.120          O  
ATOM    290  CB  ALA A  17      13.195  17.110  14.254  1.00  1.830          C  
ATOM    291  H   ALA A  17      13.749  14.442  14.231  1.00  1.460          H  
ATOM    292  HA  ALA A  17      14.893  16.877  15.526  1.00  1.610          H  
ATOM    293 1HB  ALA A  17      12.889  18.052  14.708  1.00  2.190          H  
ATOM    294 2HB  ALA A  17      13.798  17.308  13.371  1.00  2.190          H  
ATOM    295 3HB  ALA A  17      12.325  16.544  13.970  1.00  2.190          H  
ATOM    296  N   PHE A  18      12.390  15.020  16.564  1.00  0.800          N  
ATOM    297  CA  PHE A  18      11.440  14.817  17.651  1.00  0.580          C  
ATOM    298  C   PHE A  18      11.760  13.659  18.624  1.00  0.420          C  
ATOM    299  O   PHE A  18      12.467  12.725  18.258  1.00  0.440          O  
ATOM    300  CB  PHE A  18      10.065  14.609  17.050  1.00  0.900          C  
ATOM    301  CG  PHE A  18       9.528  15.829  16.387  1.00  0.900          C  
ATOM    302  CD1 PHE A  18       9.801  16.076  15.073  1.00  0.900          C  
ATOM    303  CD2 PHE A  18       8.742  16.729  17.078  1.00  0.900          C  
ATOM    304  CE1 PHE A  18       9.315  17.194  14.440  1.00  0.900          C  
ATOM    305  CE2 PHE A  18       8.245  17.847  16.454  1.00  0.900          C  
ATOM    306  CZ  PHE A  18       8.533  18.078  15.129  1.00  0.900          C  
ATOM    307  H   PHE A  18      12.387  14.374  15.777  1.00  0.960          H  
ATOM    308  HA  PHE A  18      11.408  15.759  18.171  1.00  0.700          H  
ATOM    309 1HB  PHE A  18      10.113  13.819  16.313  1.00  1.080          H  
ATOM    310 2HB  PHE A  18       9.384  14.304  17.809  1.00  1.080          H  
ATOM    311  HD1 PHE A  18      10.412  15.375  14.527  1.00  1.080          H  
ATOM    312  HD2 PHE A  18       8.509  16.546  18.128  1.00  1.080          H  
ATOM    313  HE1 PHE A  18       9.545  17.371  13.386  1.00  1.080          H  
ATOM    314  HE2 PHE A  18       7.621  18.549  17.006  1.00  1.080          H  
ATOM    315  HZ  PHE A  18       8.140  18.963  14.629  1.00  1.080          H  
ATOM    316  N   PRO A  19      11.303  13.746  19.906  1.00  0.440          N  
ATOM    317  CA  PRO A  19      11.358  12.716  20.949  1.00  0.530          C  
ATOM    318  C   PRO A  19      10.613  11.443  20.572  1.00  0.520          C  
ATOM    319  O   PRO A  19       9.561  11.513  19.934  1.00  0.460          O  
ATOM    320  CB  PRO A  19      10.653  13.389  22.135  1.00  0.800          C  
ATOM    321  CG  PRO A  19      10.799  14.862  21.902  1.00  0.800          C  
ATOM    322  CD  PRO A  19      10.748  15.041  20.409  1.00  0.800          C  
ATOM    323  HA  PRO A  19      12.410  12.495  21.185  1.00  0.640          H  
ATOM    324 1HB  PRO A  19       9.600  13.071  22.176  1.00  0.950          H  
ATOM    325 2HB  PRO A  19      11.117  13.063  23.077  1.00  0.950          H  
ATOM    326 1HG  PRO A  19       9.993  15.407  22.422  1.00  0.950          H  
ATOM    327 2HG  PRO A  19      11.746  15.218  22.333  1.00  0.950          H  
ATOM    328 1HD  PRO A  19       9.718  15.208  20.056  1.00  0.950          H  
ATOM    329 2HD  PRO A  19      11.415  15.889  20.214  1.00  0.950          H  
ATOM    330  N   ALA A  20      11.087  10.299  21.070  1.00  0.720          N  
ATOM    331  CA  ALA A  20      10.472   8.997  20.793  1.00  0.840          C  
ATOM    332  C   ALA A  20       8.966   8.945  21.029  1.00  0.920          C  
ATOM    333  O   ALA A  20       8.256   8.298  20.257  1.00  0.970          O  
ATOM    334  CB  ALA A  20      11.120   7.930  21.645  1.00  1.130          C  
ATOM    335  H   ALA A  20      11.941  10.325  21.612  1.00  0.860          H  
ATOM    336  HA  ALA A  20      10.650   8.760  19.751  1.00  1.010          H  
ATOM    337 1HB  ALA A  20      10.692   6.961  21.399  1.00  1.350          H  
ATOM    338 2HB  ALA A  20      12.191   7.913  21.452  1.00  1.350          H  
ATOM    339 3HB  ALA A  20      10.945   8.147  22.697  1.00  1.350          H  
ATOM    340  N   SER A  21       8.469   9.578  22.100  1.00  1.030          N  
ATOM    341  CA  SER A  21       7.033   9.520  22.368  1.00  1.250          C  
ATOM    342  C   SER A  21       6.222  10.214  21.280  1.00  1.190          C  
ATOM    343  O   SER A  21       5.096   9.801  20.970  1.00  1.470          O  
ATOM    344  CB  SER A  21       6.738  10.156  23.708  1.00  1.660          C  
ATOM    345  OG  SER A  21       7.020  11.532  23.686  1.00  1.660          O  
ATOM    346  H   SER A  21       9.073  10.101  22.717  1.00  1.240          H  
ATOM    347  HA  SER A  21       6.732   8.476  22.396  1.00  1.500          H  
ATOM    348 1HB  SER A  21       5.689  10.000  23.957  1.00  1.990          H  
ATOM    349 2HB  SER A  21       7.334   9.670  24.477  1.00  1.990          H  
ATOM    350  HG  SER A  21       6.804  11.860  24.567  1.00  1.990          H  
ATOM    351  N   HIS A  22       6.817  11.239  20.659  1.00  0.950          N  
ATOM    352  CA  HIS A  22       6.185  11.987  19.596  1.00  1.040          C  
ATOM    353  C   HIS A  22       6.102  11.096  18.413  1.00  0.940          C  
ATOM    354  O   HIS A  22       5.059  10.985  17.778  1.00  0.890          O  
ATOM    355  CB  HIS A  22       6.990  13.218  19.178  1.00  1.420          C  
ATOM    356  CG  HIS A  22       6.347  14.008  18.067  1.00  1.420          C  
ATOM    357  ND1 HIS A  22       5.294  14.867  18.278  1.00  1.420          N  
ATOM    358  CD2 HIS A  22       6.596  14.042  16.731  1.00  1.420          C  
ATOM    359  CE1 HIS A  22       4.940  15.413  17.127  1.00  1.420          C  
ATOM    360  NE2 HIS A  22       5.713  14.932  16.181  1.00  1.420          N  
ATOM    361  H   HIS A  22       7.759  11.517  20.924  1.00  1.140          H  
ATOM    362  HA  HIS A  22       5.180  12.290  19.880  1.00  1.250          H  
ATOM    363 1HB  HIS A  22       7.139  13.870  20.037  1.00  1.700          H  
ATOM    364 2HB  HIS A  22       7.958  12.906  18.837  1.00  1.700          H  
ATOM    365  HD2 HIS A  22       7.362  13.476  16.200  1.00  1.700          H  
ATOM    366  HE1 HIS A  22       4.142  16.141  16.989  1.00  1.700          H  
ATOM    367  HE2 HIS A  22       5.666  15.188  15.207  1.00  1.700          H  
ATOM    368  N   LEU A  23       7.236  10.486  18.104  1.00  0.950          N  
ATOM    369  CA  LEU A  23       7.393   9.667  16.930  1.00  0.840          C  
ATOM    370  C   LEU A  23       6.456   8.466  16.955  1.00  0.800          C  
ATOM    371  O   LEU A  23       5.893   8.097  15.923  1.00  0.720          O  
ATOM    372  CB  LEU A  23       8.849   9.238  16.865  1.00  1.220          C  
ATOM    373  CG  LEU A  23       9.856  10.402  16.645  1.00  1.220          C  
ATOM    374  CD1 LEU A  23      11.254   9.881  16.840  1.00  1.220          C  
ATOM    375  CD2 LEU A  23       9.690  11.016  15.258  1.00  1.220          C  
ATOM    376  H   LEU A  23       8.039  10.648  18.724  1.00  1.140          H  
ATOM    377  HA  LEU A  23       7.144  10.263  16.065  1.00  1.010          H  
ATOM    378 1HB  LEU A  23       9.103   8.742  17.797  1.00  1.460          H  
ATOM    379 2HB  LEU A  23       8.968   8.532  16.052  1.00  1.460          H  
ATOM    380  HG  LEU A  23       9.687  11.174  17.394  1.00  1.460          H  
ATOM    381 1HD1 LEU A  23      11.964  10.702  16.724  1.00  1.460          H  
ATOM    382 2HD1 LEU A  23      11.362   9.481  17.823  1.00  1.460          H  
ATOM    383 3HD1 LEU A  23      11.464   9.111  16.119  1.00  1.460          H  
ATOM    384 1HD2 LEU A  23      10.403  11.810  15.170  1.00  1.460          H  
ATOM    385 2HD2 LEU A  23       9.875  10.267  14.486  1.00  1.460          H  
ATOM    386 3HD2 LEU A  23       8.702  11.424  15.128  1.00  1.460          H  
ATOM    387  N   ARG A  24       6.255   7.860  18.126  1.00  0.880          N  
ATOM    388  CA  ARG A  24       5.316   6.748  18.187  1.00  0.880          C  
ATOM    389  C   ARG A  24       3.893   7.230  17.861  1.00  0.800          C  
ATOM    390  O   ARG A  24       3.191   6.623  17.035  1.00  0.780          O  
ATOM    391  CB  ARG A  24       5.345   6.092  19.563  1.00  1.230          C  
ATOM    392  CG  ARG A  24       6.610   5.270  19.859  1.00  1.230          C  
ATOM    393  CD  ARG A  24       6.469   4.404  21.072  1.00  1.230          C  
ATOM    394  NE  ARG A  24       6.343   5.169  22.323  1.00  1.230          N  
ATOM    395  CZ  ARG A  24       7.372   5.590  23.107  1.00  1.230          C  
ATOM    396  NH1 ARG A  24       8.626   5.341  22.784  1.00  1.230          N  
ATOM    397  NH2 ARG A  24       7.108   6.253  24.223  1.00  1.230          N  
ATOM    398  H   ARG A  24       6.784   8.157  18.952  1.00  1.060          H  
ATOM    399  HA  ARG A  24       5.609   6.010  17.444  1.00  1.060          H  
ATOM    400 1HB  ARG A  24       5.281   6.870  20.327  1.00  1.480          H  
ATOM    401 2HB  ARG A  24       4.479   5.443  19.679  1.00  1.480          H  
ATOM    402 1HG  ARG A  24       6.818   4.628  19.012  1.00  1.480          H  
ATOM    403 2HG  ARG A  24       7.448   5.942  20.013  1.00  1.480          H  
ATOM    404 1HD  ARG A  24       5.573   3.794  20.962  1.00  1.480          H  
ATOM    405 2HD  ARG A  24       7.331   3.746  21.150  1.00  1.480          H  
ATOM    406  HE  ARG A  24       5.406   5.386  22.635  1.00  1.480          H  
ATOM    407 1HH1 ARG A  24       8.845   4.834  21.942  1.00  1.480          H  
ATOM    408 2HH1 ARG A  24       9.370   5.644  23.396  1.00  1.480          H  
ATOM    409 1HH2 ARG A  24       6.149   6.441  24.483  1.00  1.480          H  
ATOM    410 2HH2 ARG A  24       7.862   6.564  24.818  1.00  1.480          H  
ATOM    411  N   LYS A  25       3.483   8.355  18.472  1.00  0.800          N  
ATOM    412  CA  LYS A  25       2.156   8.914  18.233  1.00  0.780          C  
ATOM    413  C   LYS A  25       2.004   9.374  16.789  1.00  0.710          C  
ATOM    414  O   LYS A  25       0.941   9.206  16.183  1.00  0.700          O  
ATOM    415  CB  LYS A  25       1.883  10.077  19.186  1.00  1.100          C  
ATOM    416  CG  LYS A  25       1.677   9.662  20.642  1.00  1.100          C  
ATOM    417  CD  LYS A  25       1.448  10.876  21.543  1.00  1.100          C  
ATOM    418  CE  LYS A  25       1.258  10.463  22.998  1.00  1.100          C  
ATOM    419  NZ  LYS A  25       1.075  11.643  23.892  1.00  1.100          N  
ATOM    420  H   LYS A  25       4.099   8.821  19.151  1.00  0.960          H  
ATOM    421  HA  LYS A  25       1.417   8.134  18.411  1.00  0.940          H  
ATOM    422 1HB  LYS A  25       2.733  10.766  19.158  1.00  1.320          H  
ATOM    423 2HB  LYS A  25       1.004  10.624  18.855  1.00  1.320          H  
ATOM    424 1HG  LYS A  25       0.817   8.998  20.708  1.00  1.320          H  
ATOM    425 2HG  LYS A  25       2.557   9.121  20.987  1.00  1.320          H  
ATOM    426 1HD  LYS A  25       2.316  11.538  21.475  1.00  1.320          H  
ATOM    427 2HD  LYS A  25       0.567  11.421  21.208  1.00  1.320          H  
ATOM    428 1HE  LYS A  25       0.381   9.823  23.075  1.00  1.320          H  
ATOM    429 2HE  LYS A  25       2.135   9.904  23.327  1.00  1.320          H  
ATOM    430 1HZ  LYS A  25       0.954  11.329  24.845  1.00  1.320          H  
ATOM    431 2HZ  LYS A  25       1.892  12.236  23.834  1.00  1.320          H  
ATOM    432 3HZ  LYS A  25       0.260  12.165  23.604  1.00  1.320          H  
ATOM    433  N   LEU A  26       3.080   9.946  16.250  1.00  0.720          N  
ATOM    434  CA  LEU A  26       3.147  10.464  14.907  1.00  0.740          C  
ATOM    435  C   LEU A  26       2.887   9.366  13.919  1.00  0.630          C  
ATOM    436  O   LEU A  26       2.013   9.485  13.074  1.00  0.660          O  
ATOM    437  CB  LEU A  26       4.553  11.003  14.635  1.00  1.030          C  
ATOM    438  CG  LEU A  26       4.861  11.526  13.251  1.00  1.030          C  
ATOM    439  CD1 LEU A  26       4.051  12.771  12.955  1.00  1.030          C  
ATOM    440  CD2 LEU A  26       6.315  11.767  13.148  1.00  1.030          C  
ATOM    441  H   LEU A  26       3.903  10.055  16.833  1.00  0.860          H  
ATOM    442  HA  LEU A  26       2.396  11.242  14.798  1.00  0.890          H  
ATOM    443 1HB  LEU A  26       4.767  11.793  15.352  1.00  1.230          H  
ATOM    444 2HB  LEU A  26       5.238  10.203  14.811  1.00  1.230          H  
ATOM    445  HG  LEU A  26       4.592  10.782  12.531  1.00  1.230          H  
ATOM    446 1HD1 LEU A  26       4.286  13.122  11.950  1.00  1.230          H  
ATOM    447 2HD1 LEU A  26       2.995  12.546  13.019  1.00  1.230          H  
ATOM    448 3HD1 LEU A  26       4.305  13.545  13.676  1.00  1.230          H  
ATOM    449 1HD2 LEU A  26       6.537  12.120  12.145  1.00  1.230          H  
ATOM    450 2HD2 LEU A  26       6.606  12.510  13.880  1.00  1.230          H  
ATOM    451 3HD2 LEU A  26       6.854  10.840  13.339  1.00  1.230          H  
ATOM    452  N   ARG A  27       3.591   8.246  14.039  1.00  0.590          N  
ATOM    453  CA  ARG A  27       3.380   7.190  13.066  1.00  0.600          C  
ATOM    454  C   ARG A  27       1.926   6.727  13.053  1.00  0.600          C  
ATOM    455  O   ARG A  27       1.355   6.497  11.978  1.00  0.660          O  
ATOM    456  CB  ARG A  27       4.324   6.033  13.324  1.00  0.840          C  
ATOM    457  CG  ARG A  27       5.770   6.339  12.952  1.00  0.840          C  
ATOM    458  CD  ARG A  27       6.632   5.135  12.925  1.00  0.840          C  
ATOM    459  NE  ARG A  27       6.768   4.512  14.245  1.00  0.840          N  
ATOM    460  CZ  ARG A  27       7.689   4.835  15.190  1.00  0.840          C  
ATOM    461  NH1 ARG A  27       8.569   5.794  14.994  1.00  0.840          N  
ATOM    462  NH2 ARG A  27       7.706   4.166  16.328  1.00  0.840          N  
ATOM    463  H   ARG A  27       4.303   8.157  14.773  1.00  0.710          H  
ATOM    464  HA  ARG A  27       3.616   7.592  12.081  1.00  0.720          H  
ATOM    465 1HB  ARG A  27       4.302   5.787  14.389  1.00  1.000          H  
ATOM    466 2HB  ARG A  27       3.999   5.154  12.770  1.00  1.000          H  
ATOM    467 1HG  ARG A  27       5.775   6.765  11.956  1.00  1.000          H  
ATOM    468 2HG  ARG A  27       6.188   7.057  13.652  1.00  1.000          H  
ATOM    469 1HD  ARG A  27       6.190   4.401  12.250  1.00  1.000          H  
ATOM    470 2HD  ARG A  27       7.619   5.401  12.557  1.00  1.000          H  
ATOM    471  HE  ARG A  27       6.127   3.759  14.463  1.00  1.000          H  
ATOM    472 1HH1 ARG A  27       8.569   6.318  14.135  1.00  1.000          H  
ATOM    473 2HH1 ARG A  27       9.252   5.997  15.711  1.00  1.000          H  
ATOM    474 1HH2 ARG A  27       7.038   3.425  16.486  1.00  1.000          H  
ATOM    475 2HH2 ARG A  27       8.389   4.392  17.036  1.00  1.000          H  
ATOM    476  N   LYS A  28       1.303   6.607  14.233  1.00  0.600          N  
ATOM    477  CA  LYS A  28      -0.093   6.194  14.260  1.00  0.680          C  
ATOM    478  C   LYS A  28      -0.984   7.249  13.593  1.00  0.650          C  
ATOM    479  O   LYS A  28      -1.848   6.915  12.772  1.00  0.750          O  
ATOM    480  CB  LYS A  28      -0.544   5.952  15.702  1.00  0.920          C  
ATOM    481  CG  LYS A  28       0.077   4.717  16.350  1.00  0.920          C  
ATOM    482  CD  LYS A  28      -0.379   4.545  17.800  1.00  0.920          C  
ATOM    483  CE  LYS A  28       0.280   3.328  18.447  1.00  0.920          C  
ATOM    484  NZ  LYS A  28      -0.114   3.172  19.877  1.00  0.920          N  
ATOM    485  H   LYS A  28       1.825   6.766  15.105  1.00  0.720          H  
ATOM    486  HA  LYS A  28      -0.191   5.266  13.697  1.00  0.820          H  
ATOM    487 1HB  LYS A  28      -0.275   6.818  16.310  1.00  1.100          H  
ATOM    488 2HB  LYS A  28      -1.629   5.852  15.733  1.00  1.100          H  
ATOM    489 1HG  LYS A  28      -0.197   3.832  15.776  1.00  1.100          H  
ATOM    490 2HG  LYS A  28       1.164   4.816  16.331  1.00  1.100          H  
ATOM    491 1HD  LYS A  28      -0.107   5.437  18.369  1.00  1.100          H  
ATOM    492 2HD  LYS A  28      -1.462   4.427  17.832  1.00  1.100          H  
ATOM    493 1HE  LYS A  28      -0.014   2.433  17.900  1.00  1.100          H  
ATOM    494 2HE  LYS A  28       1.363   3.438  18.389  1.00  1.100          H  
ATOM    495 1HZ  LYS A  28       0.343   2.358  20.266  1.00  1.100          H  
ATOM    496 2HZ  LYS A  28       0.166   3.993  20.394  1.00  1.100          H  
ATOM    497 3HZ  LYS A  28      -1.114   3.058  19.944  1.00  1.100          H  
ATOM    498  N   ARG A  29      -0.767   8.525  13.934  1.00  0.580          N  
ATOM    499  CA  ARG A  29      -1.564   9.614  13.384  1.00  0.650          C  
ATOM    500  C   ARG A  29      -1.425   9.711  11.874  1.00  0.710          C  
ATOM    501  O   ARG A  29      -2.424   9.819  11.153  1.00  0.850          O  
ATOM    502  CB  ARG A  29      -1.164  10.952  13.996  1.00  0.880          C  
ATOM    503  CG  ARG A  29      -2.001  12.146  13.511  1.00  0.880          C  
ATOM    504  CD  ARG A  29      -1.528  13.462  14.062  1.00  0.880          C  
ATOM    505  NE  ARG A  29      -0.183  13.843  13.588  1.00  0.880          N  
ATOM    506  CZ  ARG A  29       0.093  14.353  12.354  1.00  0.880          C  
ATOM    507  NH1 ARG A  29      -0.875  14.510  11.471  1.00  0.880          N  
ATOM    508  NH2 ARG A  29       1.332  14.695  12.039  1.00  0.880          N  
ATOM    509  H   ARG A  29      -0.043   8.743  14.628  1.00  0.700          H  
ATOM    510  HA  ARG A  29      -2.609   9.426  13.622  1.00  0.780          H  
ATOM    511 1HB  ARG A  29      -1.243  10.894  15.080  1.00  1.060          H  
ATOM    512 2HB  ARG A  29      -0.118  11.153  13.758  1.00  1.060          H  
ATOM    513 1HG  ARG A  29      -1.973  12.192  12.422  1.00  1.060          H  
ATOM    514 2HG  ARG A  29      -3.033  12.003  13.827  1.00  1.060          H  
ATOM    515 1HD  ARG A  29      -2.230  14.246  13.781  1.00  1.060          H  
ATOM    516 2HD  ARG A  29      -1.492  13.393  15.150  1.00  1.060          H  
ATOM    517  HE  ARG A  29       0.582  13.749  14.245  1.00  1.060          H  
ATOM    518 1HH1 ARG A  29      -1.829  14.252  11.707  1.00  1.060          H  
ATOM    519 2HH1 ARG A  29      -0.686  14.878  10.550  1.00  1.060          H  
ATOM    520 1HH2 ARG A  29       2.076  14.584  12.712  1.00  1.060          H  
ATOM    521 2HH2 ARG A  29       1.533  15.074  11.125  1.00  1.060          H  
ATOM    522  N   LEU A  30      -0.183   9.680  11.399  1.00  0.670          N  
ATOM    523  CA  LEU A  30       0.094   9.831   9.994  1.00  0.790          C  
ATOM    524  C   LEU A  30      -0.538   8.731   9.178  1.00  0.860          C  
ATOM    525  O   LEU A  30      -1.126   8.994   8.136  1.00  1.010          O  
ATOM    526  CB  LEU A  30       1.598   9.764   9.741  1.00  1.060          C  
ATOM    527  CG  LEU A  30       2.517  10.890  10.196  1.00  1.060          C  
ATOM    528  CD1 LEU A  30       3.960  10.427   9.907  1.00  1.060          C  
ATOM    529  CD2 LEU A  30       2.200  12.192   9.487  1.00  1.060          C  
ATOM    530  H   LEU A  30       0.590   9.573  12.048  1.00  0.800          H  
ATOM    531  HA  LEU A  30      -0.316  10.782   9.661  1.00  0.950          H  
ATOM    532 1HB  LEU A  30       1.958   8.864  10.239  1.00  1.270          H  
ATOM    533 2HB  LEU A  30       1.739   9.633   8.749  1.00  1.270          H  
ATOM    534  HG  LEU A  30       2.405  11.042  11.253  1.00  1.270          H  
ATOM    535 1HD1 LEU A  30       4.667  11.188  10.223  1.00  1.270          H  
ATOM    536 2HD1 LEU A  30       4.162   9.501  10.441  1.00  1.270          H  
ATOM    537 3HD1 LEU A  30       4.074  10.254   8.847  1.00  1.270          H  
ATOM    538 1HD2 LEU A  30       2.886  12.960   9.836  1.00  1.270          H  
ATOM    539 2HD2 LEU A  30       2.313  12.074   8.423  1.00  1.270          H  
ATOM    540 3HD2 LEU A  30       1.181  12.497   9.710  1.00  1.270          H  
ATOM    541  N   LEU A  31      -0.475   7.492   9.644  1.00  0.830          N  
ATOM    542  CA  LEU A  31      -1.080   6.452   8.844  1.00  0.990          C  
ATOM    543  C   LEU A  31      -2.603   6.602   8.844  1.00  1.050          C  
ATOM    544  O   LEU A  31      -3.251   6.424   7.817  1.00  1.200          O  
ATOM    545  CB  LEU A  31      -0.636   5.065   9.310  1.00  1.320          C  
ATOM    546  CG  LEU A  31      -1.127   3.840   8.452  1.00  1.320          C  
ATOM    547  CD1 LEU A  31      -0.652   3.988   6.979  1.00  1.320          C  
ATOM    548  CD2 LEU A  31      -0.542   2.559   9.055  1.00  1.320          C  
ATOM    549  H   LEU A  31       0.042   7.270  10.502  1.00  1.000          H  
ATOM    550  HA  LEU A  31      -0.729   6.594   7.828  1.00  1.190          H  
ATOM    551 1HB  LEU A  31       0.453   5.047   9.335  1.00  1.590          H  
ATOM    552 2HB  LEU A  31      -0.996   4.926  10.335  1.00  1.590          H  
ATOM    553  HG  LEU A  31      -2.217   3.790   8.462  1.00  1.590          H  
ATOM    554 1HD1 LEU A  31      -0.985   3.122   6.406  1.00  1.590          H  
ATOM    555 2HD1 LEU A  31      -1.063   4.881   6.523  1.00  1.590          H  
ATOM    556 3HD1 LEU A  31       0.425   4.036   6.970  1.00  1.590          H  
ATOM    557 1HD2 LEU A  31      -0.874   1.697   8.475  1.00  1.590          H  
ATOM    558 2HD2 LEU A  31       0.549   2.609   9.039  1.00  1.590          H  
ATOM    559 3HD2 LEU A  31      -0.884   2.456  10.086  1.00  1.590          H  
ATOM    560  N   ARG A  32      -3.209   6.958   9.982  1.00  0.980          N  
ATOM    561  CA  ARG A  32      -4.665   7.120  10.003  1.00  1.140          C  
ATOM    562  C   ARG A  32      -5.117   8.167   8.964  1.00  1.200          C  
ATOM    563  O   ARG A  32      -6.090   7.939   8.228  1.00  1.400          O  
ATOM    564  CB  ARG A  32      -5.118   7.509  11.402  1.00  1.530          C  
ATOM    565  CG  ARG A  32      -5.024   6.373  12.419  1.00  1.530          C  
ATOM    566  CD  ARG A  32      -5.279   6.832  13.805  1.00  1.530          C  
ATOM    567  NE  ARG A  32      -5.155   5.738  14.764  1.00  1.530          N  
ATOM    568  CZ  ARG A  32      -5.100   5.876  16.107  1.00  1.530          C  
ATOM    569  NH1 ARG A  32      -5.154   7.072  16.662  1.00  1.530          N  
ATOM    570  NH2 ARG A  32      -4.989   4.800  16.870  1.00  1.530          N  
ATOM    571  H   ARG A  32      -2.670   7.080  10.846  1.00  1.180          H  
ATOM    572  HA  ARG A  32      -5.118   6.163   9.752  1.00  1.370          H  
ATOM    573 1HB  ARG A  32      -4.501   8.329  11.766  1.00  1.840          H  
ATOM    574 2HB  ARG A  32      -6.149   7.860  11.370  1.00  1.840          H  
ATOM    575 1HG  ARG A  32      -5.774   5.624  12.176  1.00  1.840          H  
ATOM    576 2HG  ARG A  32      -4.044   5.914  12.376  1.00  1.840          H  
ATOM    577 1HD  ARG A  32      -4.543   7.597  14.057  1.00  1.840          H  
ATOM    578 2HD  ARG A  32      -6.284   7.246  13.876  1.00  1.840          H  
ATOM    579  HE  ARG A  32      -5.111   4.798  14.388  1.00  1.840          H  
ATOM    580 1HH1 ARG A  32      -5.237   7.895  16.086  1.00  1.840          H  
ATOM    581 2HH1 ARG A  32      -5.114   7.167  17.667  1.00  1.840          H  
ATOM    582 1HH2 ARG A  32      -4.948   3.882  16.446  1.00  1.840          H  
ATOM    583 2HH2 ARG A  32      -4.950   4.892  17.874  1.00  1.840          H  
ATOM    584  N   ASP A  33      -4.337   9.252   8.824  1.00  1.140          N  
ATOM    585  CA  ASP A  33      -4.594  10.338   7.868  1.00  1.230          C  
ATOM    586  C   ASP A  33      -4.556   9.888   6.402  1.00  1.210          C  
ATOM    587  O   ASP A  33      -4.960  10.641   5.512  1.00  1.260          O  
ATOM    588  CB  ASP A  33      -3.603  11.506   8.018  1.00  1.690          C  
ATOM    589  CG  ASP A  33      -3.812  12.416   9.260  1.00  1.690          C  
ATOM    590  OD1 ASP A  33      -4.823  12.309   9.922  1.00  1.690          O  
ATOM    591  OD2 ASP A  33      -2.959  13.255   9.495  1.00  1.690          O  
ATOM    592  H   ASP A  33      -3.567   9.375   9.496  1.00  1.370          H  
ATOM    593  HA  ASP A  33      -5.590  10.727   8.069  1.00  1.480          H  
ATOM    594 1HB  ASP A  33      -2.591  11.095   8.062  1.00  2.020          H  
ATOM    595 2HB  ASP A  33      -3.652  12.128   7.125  1.00  2.020          H  
ATOM    596  N   ALA A  34      -4.074   8.672   6.132  1.00  1.590          N  
ATOM    597  CA  ALA A  34      -3.948   8.143   4.784  1.00  1.850          C  
ATOM    598  C   ALA A  34      -5.257   8.147   4.028  1.00  1.700          C  
ATOM    599  O   ALA A  34      -5.258   8.323   2.816  1.00  1.880          O  
ATOM    600  CB  ALA A  34      -3.408   6.735   4.835  1.00  2.490          C  
ATOM    601  H   ALA A  34      -3.779   8.063   6.899  1.00  1.910          H  
ATOM    602  HA  ALA A  34      -3.267   8.784   4.236  1.00  2.220          H  
ATOM    603 1HB  ALA A  34      -3.304   6.385   3.850  1.00  2.980          H  
ATOM    604 2HB  ALA A  34      -2.447   6.723   5.341  1.00  2.980          H  
ATOM    605 3HB  ALA A  34      -4.105   6.100   5.379  1.00  2.980          H  
ATOM    606  N   ASP A  35      -6.398   8.012   4.695  1.00  1.750          N  
ATOM    607  CA  ASP A  35      -7.643   8.022   3.921  1.00  2.110          C  
ATOM    608  C   ASP A  35      -7.832   9.324   3.121  1.00  2.000          C  
ATOM    609  O   ASP A  35      -8.598   9.349   2.154  1.00  2.490          O  
ATOM    610  CB  ASP A  35      -8.877   7.797   4.800  1.00  2.810          C  
ATOM    611  CG  ASP A  35      -9.065   6.345   5.281  1.00  2.810          C  
ATOM    612  OD1 ASP A  35      -8.410   5.457   4.779  1.00  2.810          O  
ATOM    613  OD2 ASP A  35      -9.899   6.144   6.135  1.00  2.810          O  
ATOM    614  H   ASP A  35      -6.405   7.856   5.712  1.00  2.100          H  
ATOM    615  HA  ASP A  35      -7.596   7.200   3.206  1.00  2.530          H  
ATOM    616 1HB  ASP A  35      -8.808   8.445   5.677  1.00  3.370          H  
ATOM    617 2HB  ASP A  35      -9.767   8.100   4.249  1.00  3.370          H  
ATOM    618  N   ASP A  36      -7.173  10.414   3.548  1.00  1.670          N  
ATOM    619  CA  ASP A  36      -7.278  11.714   2.899  1.00  2.080          C  
ATOM    620  C   ASP A  36      -6.062  12.039   2.008  1.00  2.110          C  
ATOM    621  O   ASP A  36      -5.906  13.184   1.566  1.00  2.720          O  
ATOM    622  CB  ASP A  36      -7.417  12.799   3.972  1.00  2.750          C  
ATOM    623  CG  ASP A  36      -8.720  12.703   4.788  1.00  2.750          C  
ATOM    624  OD1 ASP A  36      -9.768  12.493   4.217  1.00  2.750          O  
ATOM    625  OD2 ASP A  36      -8.641  12.836   5.991  1.00  2.750          O  
ATOM    626  H   ASP A  36      -6.525  10.338   4.338  1.00  2.000          H  
ATOM    627  HA  ASP A  36      -8.169  11.714   2.274  1.00  2.500          H  
ATOM    628 1HB  ASP A  36      -6.570  12.721   4.660  1.00  3.300          H  
ATOM    629 2HB  ASP A  36      -7.368  13.780   3.505  1.00  3.300          H  
ATOM    630  N   LEU A  37      -5.192  11.053   1.772  1.00  1.830          N  
ATOM    631  CA  LEU A  37      -3.978  11.236   0.977  1.00  2.210          C  
ATOM    632  C   LEU A  37      -4.162  10.762  -0.470  1.00  2.510          C  
ATOM    633  O   LEU A  37      -3.339  11.058  -1.338  1.00  3.040          O  
ATOM    634  OXT LEU A  37      -5.164  10.123  -0.786  1.00  3.310          O  
ATOM    635  CB  LEU A  37      -2.804  10.489   1.658  1.00  2.760          C  
ATOM    636  CG  LEU A  37      -1.417  10.475   0.932  1.00  2.760          C  
ATOM    637  CD1 LEU A  37      -0.809  11.870   0.861  1.00  2.760          C  
ATOM    638  CD2 LEU A  37      -0.456   9.567   1.676  1.00  2.760          C  
ATOM    639  H   LEU A  37      -5.369  10.121   2.156  1.00  2.200          H  
ATOM    640  HA  LEU A  37      -3.749  12.299   0.961  1.00  2.650          H  
ATOM    641 1HB  LEU A  37      -2.660  10.916   2.644  1.00  3.310          H  
ATOM    642 2HB  LEU A  37      -3.109   9.451   1.789  1.00  3.310          H  
ATOM    643  HG  LEU A  37      -1.565  10.110  -0.054  1.00  3.310          H  
ATOM    644 1HD1 LEU A  37       0.151  11.825   0.349  1.00  3.310          H  
ATOM    645 2HD1 LEU A  37      -1.476  12.534   0.315  1.00  3.310          H  
ATOM    646 3HD1 LEU A  37      -0.659  12.249   1.871  1.00  3.310          H  
ATOM    647 1HD2 LEU A  37       0.490   9.538   1.147  1.00  3.310          H  
ATOM    648 2HD2 LEU A  37      -0.308   9.965   2.641  1.00  3.310          H  
ATOM    649 3HD2 LEU A  37      -0.848   8.582   1.762  1.00  3.310          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 -205.986 21.6634 161.092 -14.8571 3.17078 9.60938 82.4157 -89.2676 -0.22742 -1.31487 -66.2442 -5.51024 -34.7164 0 0 -1.69333 0 0.34218 1.3859 22.2613 33.5504 -5.61317 0.60334 -16.0259 -8.23093 18.3684 -95.2247
ASP:NtermProteinFull_1 -1.45756 0.03441 2.01013 -0.13582 0.03579 0.45455 1.03065 -0.98061 -0 -0 -0.82232 -1.55081 0 0 0 0 0 0.01589 0.15349 0 2.31796 0 0 -2.3716 0 0.16314 -1.10271
TRP_2 -5.87863 0.70126 2.47227 -1.3323 0.0724 0.64033 1.58709 -1.91261 -0.01497 -0.10129 -1.28769 -0.33689 0 0 0 0 0 -0.03117 0.01297 0 2.00292 -0.18286 0 1.6906 -0.06734 0.65201 -1.31391
PHE_3 -7.20652 1.03431 3.05885 -0.48916 0.23034 0.17703 1.85546 -2.41343 -0 -0 -0.96628 -0.11673 0 0 0 0 0 0.03462 0.0373 0 3.60059 -0.41859 0 1.0402 -0.02422 0.90955 0.34331
LYS_4 -5.31909 0.40316 6.352 -0.46788 0.06692 0.32865 2.82856 -2.92035 -0.00278 -0.02125 -3.62796 0.0476 0 0 0 -0.84667 0 -0.03077 0.08103 2.52015 0 0.01781 0 -1.5107 -0.04671 0.66788 -1.48039
ALA_5 -4.37222 0.20994 4.67254 -0.02201 0 0 2.52953 -2.4741 -0 -0 -1.91839 -0.36229 0 0 0 0 0 0.01672 0 0 0 -0.34138 0 1.8394 -0.33781 0.32763 -0.23245
PHE_6 -8.17329 0.78007 3.63888 -0.87712 0.05815 0.25338 2.64242 -2.73409 -0 -0 -2.79174 -0.06235 0 0 0 0 0 -0.00135 0.00591 0 1.7472 -0.49506 0 1.0402 -0.17765 0.19873 -4.9477
TYR_7 -11.8229 1.72049 4.85362 -0.69157 0.25942 0.35016 3.80153 -3.81261 -0.01497 -0.10129 -1.84799 -0.21891 0 0 0 0 0 0.19621 0.00185 0 2.52696 0.05178 0.00331 1.2797 -0.03855 0.59357 -2.91015
ASP_8 -5.32841 0.26491 7.87718 -0.10185 0.00814 0.30805 3.81156 -3.46236 -0 -0 -5.19575 -0.27624 0 0 0 -0.84667 0 0.13784 0.03251 0 1.72436 0.23491 0 -2.3716 -0.22749 0.69524 -2.71566
LYS_9 -5.1749 0.34646 6.11937 -0.30233 0.03057 0.13579 2.53539 -2.7924 -0.02365 -0.1656 -2.18884 -0.03475 0 0 0 0 0 0.13682 0.01305 1.72804 0 -0.03943 0 -1.5107 -0.38266 0.41823 -1.15155
VAL_10 -7.10185 0.80187 3.90399 -0.29874 0.18803 0.06728 3.06236 -2.76164 -0 -0 -2.01872 -0.06283 0 0 0 0 0 -0.05107 0.00579 0.03353 0 -0.31168 0 1.9342 -0.26808 0.38928 -2.4883
ALA_11 -6.07733 0.5593 4.33477 -0.02183 0 0 3.14195 -2.83535 -0 -0 -2.36884 -0.37778 0 0 0 0 0 0.04045 0 0 0 -0.36916 0 1.8394 -0.3066 0.3641 -2.07691
GLU_12 -5.28548 0.41984 6.16253 -0.21398 0.02598 0.29121 2.16015 -2.71507 -0.03647 -0.19819 -1.2208 -0.58881 0 0 0 0 0 0.04314 0.00295 0 3.01473 -0.28542 0 -2.7348 -0.62656 0.27655 -1.50848
LYS_13 -3.67561 0.24962 4.27917 -0.29451 0.02592 0.12662 2.0737 -1.98151 -0 -0 -1.04597 -0.02214 0 0 0 0 0 0.05844 0.01135 1.74071 0 -0.00108 0 -1.5107 -0.53739 0.2506 -0.25279
PHE_14 -8.91235 1.25061 3.23648 -0.5206 0.12063 0.22355 3.34587 -2.83071 -0.018 -0.09783 -3.32122 -0.01268 0 0 0 0 0 -0.04676 0.09178 0 3.68122 0.01821 0 1.0402 -0.29715 0.51746 -2.5313
LYS_15 -5.33393 0.66716 4.62777 -0.29758 0.01796 0.1323 2.21549 -2.26954 -0 -0 -0.92752 -0.01949 0 0 0 0 0 -0.08859 0.1952 1.66818 0 -0.08835 0 -1.5107 -0.27035 0.70318 -0.57883
GLU_16 -1.50845 0.14617 2.05283 -0.23314 0.04206 0.36771 0.34405 -0.95039 -0.0156 -0.05384 -0.20345 -0.58917 0 0 0 0 0 -0.06949 0.00121 0 2.92635 -0.10118 0 -2.7348 -0.47647 0.41745 -0.63813
ALA_17 -2.49532 0.26566 1.3913 -0.02232 0 0 1.20923 -1.09227 -0 -0 -0.61471 -0.31326 0 0 0 0 0 0.09992 0 0 0 0.56279 0 1.8394 0.32821 0.23891 1.39754
PHE_18 -6.96633 1.21307 2.0984 -0.61179 0.08454 0.30365 1.33649 -1.78584 -0.018 -0.09783 -0.51811 0.28798 0 0 0 0 0 0.1284 0.01095 0 1.9698 -0.3891 0 1.0402 0.62492 0.99514 -0.29344
PRO_19 -3.57557 0.66352 3.2203 -0.12227 0.00243 0.09022 1.96544 -1.42895 -0 -1e-05 -1.96135 0.24038 0 0 0 0 0 -0.03945 0.0135 0.18988 0 -1.11303 0 -2.4119 -0.39013 1.13908 -3.51792
ALA_20 -3.41947 0.35179 3.44186 -0.02328 0 0 1.54879 -1.80638 -0 -0 -1.234 -0.34848 0 0 0 0 0 -0.05756 0 0 0 -0.25623 0 1.8394 -0.44088 0.50429 0.09984
SER_21 -3.62511 0.18823 4.26059 -0.02674 0 0.04129 1.41605 -1.97542 -0 -0 -0.49092 -1.08759 0 0 0 0 0 0.00215 0.00035 0.33218 0 0.14283 0.60003 -0.77834 -0.28479 0.25487 -1.03035
HIS_22 -7.60361 0.71135 5.76442 -0.71518 0.02238 0.75631 2.97049 -2.96268 -0 -0 -1.77176 -0.30694 0 0 0 0 0 0.0405 0.01708 0 1.7918 -0.1876 0 -0.45461 -0.18149 0.36877 -1.74077
LEU_23 -9.62429 1.01051 5.64031 -0.505 0.31651 0.11909 2.64167 -3.5305 -0 -0 -1.99987 0.27232 0 0 0 0 0 0.1351 0.16067 0.30442 0 -0.28189 0 0.18072 -0.11819 0.61272 -4.66571
ARG_24 -5.89482 0.27587 6.72191 -0.71454 0.08983 0.45294 2.16826 -3.14228 -0 -1e-05 -1.65701 0.3311 0 0 0 0 0 0.02167 0.03488 1.47229 0 -0.0056 0 -1.2888 -0.24717 0.43952 -0.94198
LYS_25 -4.2794 0.13301 5.21062 -0.30317 0.02706 0.13534 2.45468 -2.37008 -0 -0 -2.266 -0.01464 0 0 0 0 0 -0.03596 0.00505 1.75565 0 -0.03298 0 -1.5107 -0.30588 0.22927 -1.16814
LEU_26 -9.54738 1.17171 4.65428 -0.67857 0.22357 0.21528 3.28226 -3.27179 -0.01194 -0.07032 -2.60517 0.19898 0 0 0 0 0 -0.00514 0.13771 0.77012 0 -0.18127 0 0.18072 -0.14999 0.44321 -5.24372
ARG_27 -6.21438 0.30001 6.46858 -0.77963 0.10198 0.52257 2.14049 -3.02529 -0 -0 -2.0498 0.33518 0 0 0 0 0 0.02735 0.01256 1.45087 0 -0.13185 0 -1.2888 -0.13125 0.5738 -1.6876
LYS_28 -4.56042 0.261 5.50028 -0.29834 0.02941 0.13142 2.17235 -2.44327 -0 -0 -1.89763 -0.00544 0 0 0 0 0 -0.01939 0.00674 1.81813 0 0.04275 0 -1.5107 -0.30878 0.28233 -0.79956
ARG_29 -5.94812 0.18858 6.98666 -1.05291 0.26972 0.70998 2.96457 -3.22558 -0 -0 -2.55609 0.13778 0 0 0 0 0 -0.00502 0.03265 2.31992 0 -0.008 0 -1.2888 -0.12146 0.16934 -0.42678
LEU_30 -9.68079 1.31029 4.38126 -0.48756 0.15225 0.11012 2.45866 -3.1785 -0 -0 -1.48724 0.23827 0 0 0 0 0 -0.02129 0.0281 0.42519 0 -0.25232 0 0.18072 -0.16062 0.67442 -5.30903
LEU_31 -5.318 0.47363 3.82149 -0.68144 0.27299 0.26028 1.83517 -2.31586 -0.03271 -0.19651 -1.74667 0.0834 0 0 0 0 0 0.0255 0.02868 1.03153 0 -0.27293 0 0.18072 -0.2448 0.87424 -1.92127
ARG_32 -4.13283 0.42631 5.09804 -0.43837 0.05446 0.21612 2.00576 -2.30712 -0 -0 -1.49748 0.35263 0 0 0 0 0 0.01956 0.14744 2.08713 0 -0.16283 0 -1.2888 -0.33769 0.55813 0.80045
ASP_33 -4.58546 0.31412 6.28468 -0.11646 0.01997 0.36323 2.63173 -2.8284 -0 -0 -3.05189 -0.45177 0 0 0 0 0 -0.07187 0.03756 0 1.97209 -0.05641 0 -2.3716 -0.17889 0.50946 -1.57992
ALA_34 -5.5639 1.28415 3.4674 -0.02418 1e-05 0 2.72787 -2.56571 -0.00878 -0.04236 -1.72336 -0.3649 0 0 0 0 0 -0.08883 0 0 0 -0.36925 0 1.8394 -0.23492 0.58073 -1.08662
ASP_35 -1.97306 0.23328 2.95522 -0.11481 0.01637 0.35927 0.9544 -1.35678 -0.02077 -0.12618 -0.3819 -0.39591 0 0 0 0 0 -0.12431 0.04836 0 1.78455 -0.01233 0 -2.3716 -0.42993 0.51153 -0.4446
ASP_36 -1.90043 0.33235 2.83193 -0.11999 0.02256 0.37374 1.07446 -1.26227 -0 -0 -1.55965 -0.24486 0 0 0 0 0 -0.05006 0.00428 0 2.48983 -0.33644 0 -2.3716 -0.49138 0.29458 -0.91295
LEU:CtermProteinFull_37 -6.44875 0.96534 1.23985 -0.7202 0.28243 0.59194 1.49114 -1.54589 -0.00878 -0.04236 -1.4201 0.12981 0 0 0 0 0 0 0.01296 0.61334 0 0 0 0.18072 -0.34077 0.56946 -4.44985
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 691853 DOMAINID 682969 MODEL 4 pep3_AB
MODEL     4
REMARK    Rerank model01.pdb to model04.pdb score: 13.368
REMARK    CLUSTER 0001 t000_.out.valid.rescored.best_scoring.binary cluster_size: 20 cluster_threshold: 1.755808
REMARK    SCORE     lk_ball_wtd:          -5.441
REMARK    SCORE     hbond_lr_bb:          -1.158
REMARK    SCORE     rama_prepro:          -4.863
REMARK    SCORE          fa_atr:        -203.688
REMARK    SCORE           omega:           0.121
REMARK    SCORE        hbond_sc:          -2.760
REMARK    SCORE    fa_intra_rep:           0.391
REMARK    SCORE fa_intra_sol_xover4:           7.791
REMARK    SCORE     hbond_bb_sc:          -2.198
REMARK    SCORE     description: cluster0001_0001
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     total_score:         -86.994
REMARK    SCORE         p_aa_pp:          -3.669
REMARK    SCORE             ref:           2.212
REMARK    SCORE          fa_rep:          21.978
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     cart_bonded:          19.997
REMARK    SCORE          fa_dun:          52.461
REMARK    SCORE         fa_elec:         -72.973
REMARK    SCORE     hbond_sr_bb:         -27.135
REMARK    SCORE          fa_sol:         131.940
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE           score:         -86.994
REMARK    SCORE            time:           0.000
REMARK    SCORE   yhh_planarity:           0.000
ATOM      1  N   ASP A   1      -0.288  -0.088  -0.690  1.00  1.580          N  
ATOM      2  CA  ASP A   1       1.078  -0.048  -0.197  1.00  1.200          C  
ATOM      3  C   ASP A   1       1.693   1.351  -0.210  1.00  1.030          C  
ATOM      4  O   ASP A   1       2.732   1.572   0.431  1.00  0.940          O  
ATOM      5  CB  ASP A   1       1.946  -0.986  -1.021  1.00  1.830          C  
ATOM      6  CG  ASP A   1       1.444  -2.383  -0.892  1.00  1.830          C  
ATOM      7  OD1 ASP A   1       0.640  -2.589  -0.013  1.00  1.830          O  
ATOM      8  OD2 ASP A   1       1.824  -3.219  -1.658  1.00  1.830          O  
ATOM      9 1H   ASP A   1      -0.686  -0.974  -0.402  1.00  1.900          H  
ATOM     10 2H   ASP A   1      -0.826   0.669  -0.299  1.00  1.900          H  
ATOM     11 3H   ASP A   1      -0.296  -0.039  -1.700  1.00  1.900          H  
ATOM     12  HA  ASP A   1       1.073  -0.399   0.836  1.00  1.440          H  
ATOM     13 1HB  ASP A   1       1.928  -0.690  -2.071  1.00  2.200          H  
ATOM     14 2HB  ASP A   1       2.981  -0.939  -0.675  1.00  2.200          H  
ATOM     15  N   TRP A   2       1.070   2.305  -0.908  1.00  1.060          N  
ATOM     16  CA  TRP A   2       1.650   3.642  -0.946  1.00  1.060          C  
ATOM     17  C   TRP A   2       1.762   4.373   0.366  1.00  1.030          C  
ATOM     18  O   TRP A   2       2.770   5.005   0.632  1.00  1.050          O  
ATOM     19  CB  TRP A   2       0.945   4.549  -1.935  1.00  1.480          C  
ATOM     20  CG  TRP A   2       1.570   4.512  -3.249  1.00  1.480          C  
ATOM     21  CD1 TRP A   2       1.090   4.039  -4.423  1.00  1.480          C  
ATOM     22  CD2 TRP A   2       2.902   5.002  -3.521  1.00  1.480          C  
ATOM     23  NE1 TRP A   2       2.027   4.204  -5.411  1.00  1.480          N  
ATOM     24  CE2 TRP A   2       3.145   4.791  -4.864  1.00  1.480          C  
ATOM     25  CE3 TRP A   2       3.896   5.588  -2.728  1.00  1.480          C  
ATOM     26  CZ2 TRP A   2       4.343   5.154  -5.449  1.00  1.480          C  
ATOM     27  CZ3 TRP A   2       5.084   5.951  -3.297  1.00  1.480          C  
ATOM     28  CH2 TRP A   2       5.311   5.739  -4.629  1.00  1.480          C  
ATOM     29  H   TRP A   2       0.226   2.129  -1.432  1.00  1.270          H  
ATOM     30  HA  TRP A   2       2.662   3.517  -1.323  1.00  1.270          H  
ATOM     31 1HB  TRP A   2      -0.093   4.247  -2.038  1.00  1.780          H  
ATOM     32 2HB  TRP A   2       0.959   5.558  -1.575  1.00  1.780          H  
ATOM     33  HD1 TRP A   2       0.106   3.595  -4.565  1.00  1.780          H  
ATOM     34  HE1 TRP A   2       1.918   3.932  -6.379  1.00  1.780          H  
ATOM     35  HE3 TRP A   2       3.722   5.766  -1.665  1.00  1.780          H  
ATOM     36  HZ2 TRP A   2       4.542   4.994  -6.506  1.00  1.780          H  
ATOM     37  HZ3 TRP A   2       5.836   6.414  -2.659  1.00  1.780          H  
ATOM     38  HH2 TRP A   2       6.264   6.038  -5.053  1.00  1.780          H  
ATOM     39  N   PHE A   3       0.781   4.278   1.246  1.00  1.110          N  
ATOM     40  CA  PHE A   3       0.941   5.080   2.452  1.00  1.190          C  
ATOM     41  C   PHE A   3       2.186   4.685   3.232  1.00  1.040          C  
ATOM     42  O   PHE A   3       2.925   5.551   3.724  1.00  1.030          O  
ATOM     43  CB  PHE A   3      -0.318   5.030   3.290  1.00  1.630          C  
ATOM     44  CG  PHE A   3      -1.402   5.782   2.603  1.00  1.630          C  
ATOM     45  CD1 PHE A   3      -2.514   5.132   2.110  1.00  1.630          C  
ATOM     46  CD2 PHE A   3      -1.296   7.143   2.411  1.00  1.630          C  
ATOM     47  CE1 PHE A   3      -3.501   5.836   1.455  1.00  1.630          C  
ATOM     48  CE2 PHE A   3      -2.281   7.844   1.765  1.00  1.630          C  
ATOM     49  CZ  PHE A   3      -3.381   7.195   1.286  1.00  1.630          C  
ATOM     50  H   PHE A   3      -0.047   3.740   1.067  1.00  1.330          H  
ATOM     51  HA  PHE A   3       1.075   6.102   2.151  1.00  1.430          H  
ATOM     52 1HB  PHE A   3      -0.636   4.002   3.442  1.00  1.960          H  
ATOM     53 2HB  PHE A   3      -0.137   5.482   4.265  1.00  1.960          H  
ATOM     54  HD1 PHE A   3      -2.612   4.058   2.242  1.00  1.960          H  
ATOM     55  HD2 PHE A   3      -0.422   7.672   2.791  1.00  1.960          H  
ATOM     56  HE1 PHE A   3      -4.377   5.315   1.071  1.00  1.960          H  
ATOM     57  HE2 PHE A   3      -2.197   8.915   1.645  1.00  1.960          H  
ATOM     58  HZ  PHE A   3      -4.164   7.751   0.775  1.00  1.960          H  
ATOM     59  N   LYS A   4       2.443   3.376   3.303  1.00  0.990          N  
ATOM     60  CA  LYS A   4       3.630   2.901   3.977  1.00  0.960          C  
ATOM     61  C   LYS A   4       4.853   3.364   3.204  1.00  0.790          C  
ATOM     62  O   LYS A   4       5.807   3.861   3.811  1.00  0.780          O  
ATOM     63  CB  LYS A   4       3.625   1.372   4.082  1.00  1.360          C  
ATOM     64  CG  LYS A   4       4.831   0.746   4.831  1.00  1.360          C  
ATOM     65  CD  LYS A   4       4.847   1.133   6.321  1.00  1.360          C  
ATOM     66  CE  LYS A   4       5.748   0.198   7.172  1.00  1.360          C  
ATOM     67  NZ  LYS A   4       7.215   0.378   6.914  1.00  1.360          N  
ATOM     68  H   LYS A   4       1.793   2.727   2.889  1.00  1.190          H  
ATOM     69  HA  LYS A   4       3.665   3.338   4.972  1.00  1.150          H  
ATOM     70 1HB  LYS A   4       2.719   1.049   4.584  1.00  1.630          H  
ATOM     71 2HB  LYS A   4       3.609   0.949   3.073  1.00  1.630          H  
ATOM     72 1HG  LYS A   4       4.787  -0.335   4.745  1.00  1.630          H  
ATOM     73 2HG  LYS A   4       5.769   1.087   4.369  1.00  1.630          H  
ATOM     74 1HD  LYS A   4       5.251   2.151   6.416  1.00  1.630          H  
ATOM     75 2HD  LYS A   4       3.840   1.120   6.723  1.00  1.630          H  
ATOM     76 1HE  LYS A   4       5.556   0.389   8.225  1.00  1.630          H  
ATOM     77 2HE  LYS A   4       5.483  -0.832   6.945  1.00  1.630          H  
ATOM     78 1HZ  LYS A   4       7.750  -0.243   7.481  1.00  1.630          H  
ATOM     79 2HZ  LYS A   4       7.484   0.226   5.936  1.00  1.630          H  
ATOM     80 3HZ  LYS A   4       7.517   1.339   7.111  1.00  1.630          H  
ATOM     81  N   ALA A   5       4.843   3.222   1.869  1.00  0.760          N  
ATOM     82  CA  ALA A   5       6.000   3.617   1.066  1.00  0.790          C  
ATOM     83  C   ALA A   5       6.326   5.102   1.199  1.00  0.790          C  
ATOM     84  O   ALA A   5       7.505   5.472   1.287  1.00  0.830          O  
ATOM     85  CB  ALA A   5       5.739   3.297  -0.392  1.00  1.090          C  
ATOM     86  H   ALA A   5       4.038   2.799   1.402  1.00  0.910          H  
ATOM     87  HA  ALA A   5       6.854   3.047   1.413  1.00  0.950          H  
ATOM     88 1HB  ALA A   5       6.609   3.561  -0.990  1.00  1.310          H  
ATOM     89 2HB  ALA A   5       5.528   2.236  -0.501  1.00  1.310          H  
ATOM     90 3HB  ALA A   5       4.889   3.866  -0.723  1.00  1.310          H  
ATOM     91  N   PHE A   6       5.301   5.966   1.246  1.00  0.850          N  
ATOM     92  CA  PHE A   6       5.549   7.398   1.346  1.00  0.970          C  
ATOM     93  C   PHE A   6       6.315   7.650   2.627  1.00  0.870          C  
ATOM     94  O   PHE A   6       7.333   8.346   2.626  1.00  0.920          O  
ATOM     95  CB  PHE A   6       4.239   8.217   1.443  1.00  1.310          C  
ATOM     96  CG  PHE A   6       3.361   8.326   0.198  1.00  1.310          C  
ATOM     97  CD1 PHE A   6       2.001   8.116   0.312  1.00  1.310          C  
ATOM     98  CD2 PHE A   6       3.861   8.629  -1.043  1.00  1.310          C  
ATOM     99  CE1 PHE A   6       1.171   8.177  -0.766  1.00  1.310          C  
ATOM    100  CE2 PHE A   6       3.031   8.704  -2.138  1.00  1.310          C  
ATOM    101  CZ  PHE A   6       1.683   8.466  -2.002  1.00  1.310          C  
ATOM    102  H   PHE A   6       4.351   5.617   1.143  1.00  1.020          H  
ATOM    103  HA  PHE A   6       6.148   7.731   0.498  1.00  1.160          H  
ATOM    104 1HB  PHE A   6       3.626   7.795   2.242  1.00  1.570          H  
ATOM    105 2HB  PHE A   6       4.490   9.222   1.739  1.00  1.570          H  
ATOM    106  HD1 PHE A   6       1.598   7.901   1.279  1.00  1.570          H  
ATOM    107  HD2 PHE A   6       4.930   8.817  -1.166  1.00  1.570          H  
ATOM    108  HE1 PHE A   6       0.104   7.997  -0.643  1.00  1.570          H  
ATOM    109  HE2 PHE A   6       3.446   8.949  -3.118  1.00  1.570          H  
ATOM    110  HZ  PHE A   6       1.025   8.521  -2.871  1.00  1.570          H  
ATOM    111  N   TYR A   7       5.842   7.064   3.732  1.00  0.830          N  
ATOM    112  CA  TYR A   7       6.514   7.293   4.995  1.00  0.860          C  
ATOM    113  C   TYR A   7       7.865   6.628   5.071  1.00  0.710          C  
ATOM    114  O   TYR A   7       8.809   7.234   5.567  1.00  0.740          O  
ATOM    115  CB  TYR A   7       5.650   6.931   6.197  1.00  1.190          C  
ATOM    116  CG  TYR A   7       6.309   7.347   7.506  1.00  1.190          C  
ATOM    117  CD1 TYR A   7       6.593   8.690   7.720  1.00  1.190          C  
ATOM    118  CD2 TYR A   7       6.582   6.428   8.499  1.00  1.190          C  
ATOM    119  CE1 TYR A   7       7.128   9.108   8.874  1.00  1.190          C  
ATOM    120  CE2 TYR A   7       7.132   6.866   9.694  1.00  1.190          C  
ATOM    121  CZ  TYR A   7       7.385   8.211   9.877  1.00  1.190          C  
ATOM    122  OH  TYR A   7       7.889   8.689  11.050  1.00  1.190          O  
ATOM    123  H   TYR A   7       4.984   6.498   3.680  1.00  1.000          H  
ATOM    124  HA  TYR A   7       6.715   8.351   5.066  1.00  1.030          H  
ATOM    125 1HB  TYR A   7       4.678   7.420   6.119  1.00  1.430          H  
ATOM    126 2HB  TYR A   7       5.485   5.849   6.211  1.00  1.430          H  
ATOM    127  HD1 TYR A   7       6.391   9.416   6.973  1.00  1.430          H  
ATOM    128  HD2 TYR A   7       6.359   5.371   8.346  1.00  1.430          H  
ATOM    129  HE1 TYR A   7       7.334  10.165   9.012  1.00  1.430          H  
ATOM    130  HE2 TYR A   7       7.338   6.155  10.491  1.00  1.430          H  
ATOM    131  HH  TYR A   7       7.787   9.659  11.050  1.00  1.430          H  
ATOM    132  N   ASP A   8       8.020   5.391   4.639  1.00  0.650          N  
ATOM    133  CA  ASP A   8       9.349   4.827   4.793  1.00  0.700          C  
ATOM    134  C   ASP A   8      10.405   5.645   4.063  1.00  0.710          C  
ATOM    135  O   ASP A   8      11.473   5.920   4.617  1.00  0.770          O  
ATOM    136  CB  ASP A   8       9.406   3.383   4.284  1.00  0.960          C  
ATOM    137  CG  ASP A   8       8.745   2.365   5.200  1.00  0.960          C  
ATOM    138  OD1 ASP A   8       8.454   2.668   6.341  1.00  0.960          O  
ATOM    139  OD2 ASP A   8       8.534   1.243   4.779  1.00  0.960          O  
ATOM    140  H   ASP A   8       7.250   4.863   4.237  1.00  0.780          H  
ATOM    141  HA  ASP A   8       9.595   4.819   5.853  1.00  0.840          H  
ATOM    142 1HB  ASP A   8       8.910   3.340   3.313  1.00  1.150          H  
ATOM    143 2HB  ASP A   8      10.451   3.098   4.129  1.00  1.150          H  
ATOM    144  N   LYS A   9      10.109   6.088   2.838  1.00  0.780          N  
ATOM    145  CA  LYS A   9      11.089   6.864   2.095  1.00  0.990          C  
ATOM    146  C   LYS A   9      11.357   8.212   2.764  1.00  0.960          C  
ATOM    147  O   LYS A   9      12.516   8.603   2.968  1.00  1.080          O  
ATOM    148  CB  LYS A   9      10.620   7.063   0.657  1.00  1.300          C  
ATOM    149  CG  LYS A   9      11.606   7.847  -0.244  1.00  1.300          C  
ATOM    150  CD  LYS A   9      11.137   7.897  -1.711  1.00  1.300          C  
ATOM    151  CE  LYS A   9       9.954   8.853  -1.914  1.00  1.300          C  
ATOM    152  NZ  LYS A   9       9.564   8.947  -3.345  1.00  1.300          N  
ATOM    153  H   LYS A   9       9.203   5.861   2.413  1.00  0.940          H  
ATOM    154  HA  LYS A   9      12.028   6.312   2.079  1.00  1.190          H  
ATOM    155 1HB  LYS A   9      10.449   6.089   0.195  1.00  1.560          H  
ATOM    156 2HB  LYS A   9       9.666   7.585   0.670  1.00  1.560          H  
ATOM    157 1HG  LYS A   9      11.699   8.871   0.130  1.00  1.560          H  
ATOM    158 2HG  LYS A   9      12.587   7.374  -0.196  1.00  1.560          H  
ATOM    159 1HD  LYS A   9      11.969   8.234  -2.333  1.00  1.560          H  
ATOM    160 2HD  LYS A   9      10.847   6.897  -2.042  1.00  1.560          H  
ATOM    161 1HE  LYS A   9       9.092   8.507  -1.349  1.00  1.560          H  
ATOM    162 2HE  LYS A   9      10.230   9.850  -1.556  1.00  1.560          H  
ATOM    163 1HZ  LYS A   9       8.771   9.610  -3.414  1.00  1.560          H  
ATOM    164 2HZ  LYS A   9      10.324   9.293  -3.890  1.00  1.560          H  
ATOM    165 3HZ  LYS A   9       9.281   8.054  -3.687  1.00  1.560          H  
ATOM    166  N   VAL A  10      10.285   8.927   3.088  1.00  0.910          N  
ATOM    167  CA  VAL A  10      10.382  10.233   3.702  1.00  1.040          C  
ATOM    168  C   VAL A  10      11.032  10.165   5.077  1.00  0.860          C  
ATOM    169  O   VAL A  10      11.827  11.032   5.421  1.00  0.910          O  
ATOM    170  CB  VAL A  10       8.999  10.873   3.738  1.00  1.400          C  
ATOM    171  CG1 VAL A  10       9.003  12.148   4.558  1.00  1.400          C  
ATOM    172  CG2 VAL A  10       8.596  11.179   2.293  1.00  1.400          C  
ATOM    173  H   VAL A  10       9.353   8.554   2.887  1.00  1.090          H  
ATOM    174  HA  VAL A  10      11.011  10.851   3.061  1.00  1.250          H  
ATOM    175  HB  VAL A  10       8.298  10.178   4.185  1.00  1.680          H  
ATOM    176 1HG1 VAL A  10       8.017  12.592   4.565  1.00  1.680          H  
ATOM    177 2HG1 VAL A  10       9.297  11.914   5.565  1.00  1.680          H  
ATOM    178 3HG1 VAL A  10       9.697  12.842   4.118  1.00  1.680          H  
ATOM    179 1HG2 VAL A  10       7.622  11.608   2.273  1.00  1.680          H  
ATOM    180 2HG2 VAL A  10       9.312  11.876   1.866  1.00  1.680          H  
ATOM    181 3HG2 VAL A  10       8.588  10.259   1.707  1.00  1.680          H  
ATOM    182  N   ALA A  11      10.654   9.200   5.900  1.00  0.770          N  
ATOM    183  CA  ALA A  11      11.261   9.080   7.199  1.00  0.830          C  
ATOM    184  C   ALA A  11      12.754   8.850   7.063  1.00  0.810          C  
ATOM    185  O   ALA A  11      13.530   9.478   7.776  1.00  0.940          O  
ATOM    186  CB  ALA A  11      10.634   7.942   7.963  1.00  1.140          C  
ATOM    187  H   ALA A  11       9.961   8.517   5.618  1.00  0.920          H  
ATOM    188  HA  ALA A  11      11.098  10.012   7.744  1.00  1.000          H  
ATOM    189 1HB  ALA A  11      11.078   7.867   8.951  1.00  1.370          H  
ATOM    190 2HB  ALA A  11       9.585   8.116   8.048  1.00  1.370          H  
ATOM    191 3HB  ALA A  11      10.794   7.008   7.411  1.00  1.370          H  
ATOM    192  N   GLU A  12      13.198   8.003   6.124  1.00  0.810          N  
ATOM    193  CA  GLU A  12      14.645   7.801   5.989  1.00  1.070          C  
ATOM    194  C   GLU A  12      15.350   9.107   5.612  1.00  1.150          C  
ATOM    195  O   GLU A  12      16.412   9.416   6.171  1.00  1.370          O  
ATOM    196  CB  GLU A  12      14.934   6.714   4.957  1.00  1.390          C  
ATOM    197  CG  GLU A  12      14.573   5.295   5.410  1.00  1.390          C  
ATOM    198  CD  GLU A  12      14.748   4.264   4.322  1.00  1.390          C  
ATOM    199  OE1 GLU A  12      15.005   4.643   3.202  1.00  1.390          O  
ATOM    200  OE2 GLU A  12      14.628   3.097   4.614  1.00  1.390          O  
ATOM    201  H   GLU A  12      12.550   7.450   5.555  1.00  0.970          H  
ATOM    202  HA  GLU A  12      15.028   7.470   6.950  1.00  1.280          H  
ATOM    203 1HB  GLU A  12      14.367   6.925   4.047  1.00  1.670          H  
ATOM    204 2HB  GLU A  12      15.993   6.731   4.695  1.00  1.670          H  
ATOM    205 1HG  GLU A  12      15.207   5.032   6.252  1.00  1.670          H  
ATOM    206 2HG  GLU A  12      13.548   5.290   5.760  1.00  1.670          H  
ATOM    207  N   LYS A  13      14.736   9.887   4.724  1.00  1.080          N  
ATOM    208  CA  LYS A  13      15.233  11.178   4.268  1.00  1.300          C  
ATOM    209  C   LYS A  13      15.413  12.185   5.404  1.00  1.240          C  
ATOM    210  O   LYS A  13      16.453  12.831   5.537  1.00  1.530          O  
ATOM    211  CB  LYS A  13      14.260  11.738   3.221  1.00  1.730          C  
ATOM    212  CG  LYS A  13      14.540  13.128   2.657  1.00  1.730          C  
ATOM    213  CD  LYS A  13      13.427  13.488   1.636  1.00  1.730          C  
ATOM    214  CE  LYS A  13      13.501  14.959   1.170  1.00  1.730          C  
ATOM    215  NZ  LYS A  13      12.400  15.284   0.203  1.00  1.730          N  
ATOM    216  H   LYS A  13      13.876   9.519   4.290  1.00  1.300          H  
ATOM    217  HA  LYS A  13      16.207  11.020   3.802  1.00  1.560          H  
ATOM    218 1HB  LYS A  13      14.209  11.045   2.382  1.00  2.080          H  
ATOM    219 2HB  LYS A  13      13.275  11.772   3.640  1.00  2.080          H  
ATOM    220 1HG  LYS A  13      14.537  13.865   3.462  1.00  2.080          H  
ATOM    221 2HG  LYS A  13      15.512  13.141   2.168  1.00  2.080          H  
ATOM    222 1HD  LYS A  13      13.520  12.842   0.766  1.00  2.080          H  
ATOM    223 2HD  LYS A  13      12.449  13.312   2.090  1.00  2.080          H  
ATOM    224 1HE  LYS A  13      13.398  15.611   2.038  1.00  2.080          H  
ATOM    225 2HE  LYS A  13      14.461  15.145   0.693  1.00  2.080          H  
ATOM    226 1HZ  LYS A  13      12.449  16.254  -0.072  1.00  2.080          H  
ATOM    227 2HZ  LYS A  13      12.469  14.702  -0.609  1.00  2.080          H  
ATOM    228 3HZ  LYS A  13      11.460  15.120   0.642  1.00  2.080          H  
ATOM    229  N   PHE A  14      14.362  12.338   6.218  1.00  1.010          N  
ATOM    230  CA  PHE A  14      14.345  13.296   7.315  1.00  1.110          C  
ATOM    231  C   PHE A  14      15.003  12.820   8.625  1.00  1.200          C  
ATOM    232  O   PHE A  14      15.566  13.648   9.353  1.00  1.380          O  
ATOM    233  CB  PHE A  14      12.887  13.691   7.572  1.00  1.510          C  
ATOM    234  CG  PHE A  14      12.286  14.647   6.539  1.00  1.510          C  
ATOM    235  CD1 PHE A  14      11.923  14.233   5.278  1.00  1.510          C  
ATOM    236  CD2 PHE A  14      12.009  15.951   6.874  1.00  1.510          C  
ATOM    237  CE1 PHE A  14      11.338  15.094   4.394  1.00  1.510          C  
ATOM    238  CE2 PHE A  14      11.422  16.812   5.991  1.00  1.510          C  
ATOM    239  CZ  PHE A  14      11.088  16.376   4.740  1.00  1.510          C  
ATOM    240  H   PHE A  14      13.526  11.781   6.030  1.00  1.210          H  
ATOM    241  HA  PHE A  14      14.878  14.182   6.983  1.00  1.330          H  
ATOM    242 1HB  PHE A  14      12.275  12.785   7.580  1.00  1.820          H  
ATOM    243 2HB  PHE A  14      12.799  14.157   8.542  1.00  1.820          H  
ATOM    244  HD1 PHE A  14      12.097  13.230   4.976  1.00  1.820          H  
ATOM    245  HD2 PHE A  14      12.233  16.302   7.857  1.00  1.820          H  
ATOM    246  HE1 PHE A  14      11.061  14.743   3.400  1.00  1.820          H  
ATOM    247  HE2 PHE A  14      11.216  17.838   6.299  1.00  1.820          H  
ATOM    248  HZ  PHE A  14      10.611  17.050   4.022  1.00  1.820          H  
ATOM    249  N   LYS A  15      15.008  11.515   8.898  1.00  1.190          N  
ATOM    250  CA  LYS A  15      15.516  10.924  10.139  1.00  1.370          C  
ATOM    251  C   LYS A  15      16.889  11.374  10.605  1.00  0.960          C  
ATOM    252  O   LYS A  15      17.105  11.487  11.811  1.00  1.330          O  
ATOM    253  CB  LYS A  15      15.489   9.397  10.064  1.00  1.850          C  
ATOM    254  CG  LYS A  15      15.970   8.692  11.324  1.00  1.850          C  
ATOM    255  CD  LYS A  15      15.820   7.180  11.200  1.00  1.850          C  
ATOM    256  CE  LYS A  15      16.350   6.474  12.446  1.00  1.850          C  
ATOM    257  NZ  LYS A  15      16.204   4.989  12.351  1.00  1.850          N  
ATOM    258  H   LYS A  15      14.558  10.874   8.248  1.00  1.430          H  
ATOM    259  HA  LYS A  15      14.828  11.212  10.921  1.00  1.640          H  
ATOM    260 1HB  LYS A  15      14.466   9.073   9.924  1.00  2.220          H  
ATOM    261 2HB  LYS A  15      16.068   9.058   9.202  1.00  2.220          H  
ATOM    262 1HG  LYS A  15      17.025   8.914  11.492  1.00  2.220          H  
ATOM    263 2HG  LYS A  15      15.399   9.050  12.178  1.00  2.220          H  
ATOM    264 1HD  LYS A  15      14.768   6.928  11.068  1.00  2.220          H  
ATOM    265 2HD  LYS A  15      16.374   6.835  10.327  1.00  2.220          H  
ATOM    266 1HE  LYS A  15      17.404   6.718  12.568  1.00  2.220          H  
ATOM    267 2HE  LYS A  15      15.799   6.828  13.314  1.00  2.220          H  
ATOM    268 1HZ  LYS A  15      16.564   4.563  13.191  1.00  2.220          H  
ATOM    269 2HZ  LYS A  15      15.226   4.752  12.244  1.00  2.220          H  
ATOM    270 3HZ  LYS A  15      16.719   4.648  11.551  1.00  2.220          H  
ATOM    271  N   GLU A  16      17.847  11.597   9.710  1.00  1.010          N  
ATOM    272  CA  GLU A  16      19.178  11.973  10.168  1.00  1.300          C  
ATOM    273  C   GLU A  16      19.267  13.442  10.593  1.00  1.180          C  
ATOM    274  O   GLU A  16      20.282  13.874  11.142  1.00  1.540          O  
ATOM    275  CB  GLU A  16      20.216  11.687   9.077  1.00  1.700          C  
ATOM    276  CG  GLU A  16      20.405  10.211   8.761  1.00  1.700          C  
ATOM    277  CD  GLU A  16      21.408   9.963   7.667  1.00  1.700          C  
ATOM    278  OE1 GLU A  16      21.892  10.916   7.104  1.00  1.700          O  
ATOM    279  OE2 GLU A  16      21.688   8.820   7.394  1.00  1.700          O  
ATOM    280  H   GLU A  16      17.665  11.502   8.712  1.00  1.210          H  
ATOM    281  HA  GLU A  16      19.425  11.359  11.036  1.00  1.560          H  
ATOM    282 1HB  GLU A  16      19.917  12.193   8.155  1.00  2.040          H  
ATOM    283 2HB  GLU A  16      21.182  12.093   9.375  1.00  2.040          H  
ATOM    284 1HG  GLU A  16      20.732   9.698   9.665  1.00  2.040          H  
ATOM    285 2HG  GLU A  16      19.441   9.791   8.469  1.00  2.040          H  
ATOM    286  N   ALA A  17      18.231  14.225  10.290  1.00  0.970          N  
ATOM    287  CA  ALA A  17      18.218  15.648  10.604  1.00  1.100          C  
ATOM    288  C   ALA A  17      17.115  16.048  11.591  1.00  1.000          C  
ATOM    289  O   ALA A  17      17.288  17.015  12.345  1.00  1.200          O  
ATOM    290  CB  ALA A  17      18.057  16.437   9.321  1.00  1.490          C  
ATOM    291  H   ALA A  17      17.409  13.813   9.852  1.00  1.160          H  
ATOM    292  HA  ALA A  17      19.171  15.901  11.063  1.00  1.320          H  
ATOM    293 1HB  ALA A  17      18.078  17.502   9.549  1.00  1.790          H  
ATOM    294 2HB  ALA A  17      18.868  16.188   8.644  1.00  1.790          H  
ATOM    295 3HB  ALA A  17      17.114  16.184   8.857  1.00  1.790          H  
ATOM    296  N   PHE A  18      15.977  15.359  11.578  1.00  0.810          N  
ATOM    297  CA  PHE A  18      14.827  15.801  12.353  1.00  0.820          C  
ATOM    298  C   PHE A  18      14.459  14.957  13.596  1.00  0.800          C  
ATOM    299  O   PHE A  18      14.651  13.742  13.600  1.00  0.760          O  
ATOM    300  CB  PHE A  18      13.632  15.885  11.433  1.00  1.140          C  
ATOM    301  CG  PHE A  18      13.762  17.004  10.446  1.00  1.140          C  
ATOM    302  CD1 PHE A  18      14.388  16.821   9.237  1.00  1.140          C  
ATOM    303  CD2 PHE A  18      13.251  18.252  10.734  1.00  1.140          C  
ATOM    304  CE1 PHE A  18      14.506  17.847   8.332  1.00  1.140          C  
ATOM    305  CE2 PHE A  18      13.359  19.282   9.833  1.00  1.140          C  
ATOM    306  CZ  PHE A  18      13.987  19.077   8.628  1.00  1.140          C  
ATOM    307  H   PHE A  18      15.884  14.558  10.951  1.00  0.970          H  
ATOM    308  HA  PHE A  18      15.058  16.818  12.625  1.00  0.980          H  
ATOM    309 1HB  PHE A  18      13.536  14.951  10.887  1.00  1.370          H  
ATOM    310 2HB  PHE A  18      12.751  16.029  12.007  1.00  1.370          H  
ATOM    311  HD1 PHE A  18      14.797  15.853   8.993  1.00  1.370          H  
ATOM    312  HD2 PHE A  18      12.747  18.415  11.682  1.00  1.370          H  
ATOM    313  HE1 PHE A  18      15.009  17.681   7.373  1.00  1.370          H  
ATOM    314  HE2 PHE A  18      12.945  20.257  10.071  1.00  1.370          H  
ATOM    315  HZ  PHE A  18      14.074  19.893   7.911  1.00  1.370          H  
ATOM    316  N   PRO A  19      13.927  15.598  14.674  1.00  0.940          N  
ATOM    317  CA  PRO A  19      13.374  15.003  15.889  1.00  1.070          C  
ATOM    318  C   PRO A  19      12.200  14.082  15.610  1.00  1.020          C  
ATOM    319  O   PRO A  19      11.410  14.347  14.699  1.00  0.890          O  
ATOM    320  CB  PRO A  19      12.889  16.219  16.691  1.00  1.600          C  
ATOM    321  CG  PRO A  19      13.709  17.370  16.200  1.00  1.600          C  
ATOM    322  CD  PRO A  19      13.958  17.093  14.738  1.00  1.600          C  
ATOM    323  HA  PRO A  19      14.179  14.465  16.425  1.00  1.280          H  
ATOM    324 1HB  PRO A  19      11.807  16.368  16.533  1.00  1.930          H  
ATOM    325 2HB  PRO A  19      13.026  16.039  17.767  1.00  1.930          H  
ATOM    326 1HG  PRO A  19      13.170  18.319  16.366  1.00  1.930          H  
ATOM    327 2HG  PRO A  19      14.641  17.432  16.779  1.00  1.930          H  
ATOM    328 1HD  PRO A  19      13.179  17.542  14.096  1.00  1.930          H  
ATOM    329 2HD  PRO A  19      14.963  17.497  14.553  1.00  1.930          H  
ATOM    330  N   ALA A  20      12.027  13.069  16.461  1.00  1.180          N  
ATOM    331  CA  ALA A  20      10.930  12.113  16.346  1.00  1.230          C  
ATOM    332  C   ALA A  20       9.562  12.765  16.200  1.00  1.180          C  
ATOM    333  O   ALA A  20       8.718  12.239  15.482  1.00  1.130          O  
ATOM    334  CB  ALA A  20      10.900  11.194  17.546  1.00  1.700          C  
ATOM    335  H   ALA A  20      12.710  12.934  17.196  1.00  1.420          H  
ATOM    336  HA  ALA A  20      11.103  11.516  15.457  1.00  1.480          H  
ATOM    337 1HB  ALA A  20      10.106  10.462  17.419  1.00  2.040          H  
ATOM    338 2HB  ALA A  20      11.859  10.681  17.631  1.00  2.040          H  
ATOM    339 3HB  ALA A  20      10.720  11.774  18.447  1.00  2.040          H  
ATOM    340  N   SER A  21       9.309  13.877  16.907  1.00  1.240          N  
ATOM    341  CA  SER A  21       7.999  14.511  16.811  1.00  1.290          C  
ATOM    342  C   SER A  21       7.713  15.034  15.406  1.00  1.120          C  
ATOM    343  O   SER A  21       6.556  15.064  14.974  1.00  1.210          O  
ATOM    344  CB  SER A  21       7.904  15.653  17.795  1.00  1.790          C  
ATOM    345  OG  SER A  21       8.795  16.684  17.453  1.00  1.790          O  
ATOM    346  H   SER A  21      10.014  14.296  17.501  1.00  1.490          H  
ATOM    347  HA  SER A  21       7.239  13.768  17.052  1.00  1.550          H  
ATOM    348 1HB  SER A  21       6.886  16.036  17.812  1.00  2.140          H  
ATOM    349 2HB  SER A  21       8.135  15.289  18.795  1.00  2.140          H  
ATOM    350  HG  SER A  21       8.649  17.385  18.097  1.00  2.140          H  
ATOM    351  N   HIS A  22       8.768  15.397  14.674  1.00  0.980          N  
ATOM    352  CA  HIS A  22       8.651  15.896  13.321  1.00  0.960          C  
ATOM    353  C   HIS A  22       8.330  14.727  12.441  1.00  0.830          C  
ATOM    354  O   HIS A  22       7.455  14.794  11.579  1.00  0.750          O  
ATOM    355  CB  HIS A  22       9.948  16.539  12.832  1.00  1.350          C  
ATOM    356  CG  HIS A  22       9.842  17.119  11.461  1.00  1.350          C  
ATOM    357  ND1 HIS A  22       9.180  18.302  11.197  1.00  1.350          N  
ATOM    358  CD2 HIS A  22      10.294  16.673  10.275  1.00  1.350          C  
ATOM    359  CE1 HIS A  22       9.249  18.555   9.901  1.00  1.350          C  
ATOM    360  NE2 HIS A  22       9.916  17.587   9.326  1.00  1.350          N  
ATOM    361  H   HIS A  22       9.706  15.320  15.061  1.00  1.180          H  
ATOM    362  HA  HIS A  22       7.842  16.621  13.246  1.00  1.150          H  
ATOM    363 1HB  HIS A  22      10.258  17.321  13.530  1.00  1.620          H  
ATOM    364 2HB  HIS A  22      10.719  15.792  12.823  1.00  1.620          H  
ATOM    365  HD1 HIS A  22       8.581  18.798  11.828  1.00  1.620          H  
ATOM    366  HD2 HIS A  22      10.854  15.784   9.993  1.00  1.620          H  
ATOM    367  HE1 HIS A  22       8.787  19.451   9.487  1.00  1.620          H  
ATOM    368  N   LEU A  23       9.078  13.652  12.648  1.00  0.880          N  
ATOM    369  CA  LEU A  23       8.945  12.475  11.825  1.00  0.870          C  
ATOM    370  C   LEU A  23       7.523  11.907  11.966  1.00  0.780          C  
ATOM    371  O   LEU A  23       6.927  11.446  10.983  1.00  0.790          O  
ATOM    372  CB  LEU A  23      10.010  11.464  12.250  1.00  1.220          C  
ATOM    373  CG  LEU A  23      11.513  11.940  12.054  1.00  1.220          C  
ATOM    374  CD1 LEU A  23      12.439  10.916  12.670  1.00  1.220          C  
ATOM    375  CD2 LEU A  23      11.857  12.180  10.585  1.00  1.220          C  
ATOM    376  H   LEU A  23       9.787  13.698  13.392  1.00  1.060          H  
ATOM    377  HA  LEU A  23       9.087  12.756  10.794  1.00  1.040          H  
ATOM    378 1HB  LEU A  23       9.862  11.239  13.305  1.00  1.470          H  
ATOM    379 2HB  LEU A  23       9.872  10.547  11.683  1.00  1.470          H  
ATOM    380  HG  LEU A  23      11.655  12.875  12.600  1.00  1.470          H  
ATOM    381 1HD1 LEU A  23      13.456  11.265  12.596  1.00  1.470          H  
ATOM    382 2HD1 LEU A  23      12.205  10.779  13.705  1.00  1.470          H  
ATOM    383 3HD1 LEU A  23      12.332   9.965  12.148  1.00  1.470          H  
ATOM    384 1HD2 LEU A  23      12.882  12.520  10.531  1.00  1.470          H  
ATOM    385 2HD2 LEU A  23      11.745  11.258  10.010  1.00  1.470          H  
ATOM    386 3HD2 LEU A  23      11.222  12.944  10.166  1.00  1.470          H  
ATOM    387  N   ARG A  24       6.964  11.951  13.186  1.00  0.780          N  
ATOM    388  CA  ARG A  24       5.593  11.486  13.387  1.00  0.780          C  
ATOM    389  C   ARG A  24       4.604  12.379  12.625  1.00  0.640          C  
ATOM    390  O   ARG A  24       3.672  11.868  11.982  1.00  0.660          O  
ATOM    391  CB  ARG A  24       5.230  11.440  14.868  1.00  1.090          C  
ATOM    392  CG  ARG A  24       5.900  10.299  15.656  1.00  1.090          C  
ATOM    393  CD  ARG A  24       5.281  10.087  17.008  1.00  1.090          C  
ATOM    394  NE  ARG A  24       5.477  11.217  17.935  1.00  1.090          N  
ATOM    395  CZ  ARG A  24       6.531  11.382  18.776  1.00  1.090          C  
ATOM    396  NH1 ARG A  24       7.514  10.505  18.823  1.00  1.090          N  
ATOM    397  NH2 ARG A  24       6.561  12.439  19.573  1.00  1.090          N  
ATOM    398  H   ARG A  24       7.517  12.290  13.976  1.00  0.940          H  
ATOM    399  HA  ARG A  24       5.515  10.476  12.994  1.00  0.940          H  
ATOM    400 1HB  ARG A  24       5.526  12.380  15.336  1.00  1.310          H  
ATOM    401 2HB  ARG A  24       4.152  11.342  14.977  1.00  1.310          H  
ATOM    402 1HG  ARG A  24       5.797   9.374  15.090  1.00  1.310          H  
ATOM    403 2HG  ARG A  24       6.952  10.518  15.789  1.00  1.310          H  
ATOM    404 1HD  ARG A  24       4.207   9.949  16.881  1.00  1.310          H  
ATOM    405 2HD  ARG A  24       5.694   9.189  17.462  1.00  1.310          H  
ATOM    406  HE  ARG A  24       4.753  11.920  17.958  1.00  1.310          H  
ATOM    407 1HH1 ARG A  24       7.504   9.695  18.226  1.00  1.310          H  
ATOM    408 2HH1 ARG A  24       8.275  10.641  19.476  1.00  1.310          H  
ATOM    409 1HH2 ARG A  24       5.803  13.110  19.551  1.00  1.310          H  
ATOM    410 2HH2 ARG A  24       7.333  12.573  20.211  1.00  1.310          H  
ATOM    411  N   LYS A  25       4.804  13.706  12.674  1.00  0.580          N  
ATOM    412  CA  LYS A  25       3.955  14.624  11.934  1.00  0.580          C  
ATOM    413  C   LYS A  25       4.045  14.387  10.430  1.00  0.560          C  
ATOM    414  O   LYS A  25       3.034  14.501   9.735  1.00  0.580          O  
ATOM    415  CB  LYS A  25       4.272  16.076  12.268  1.00  0.810          C  
ATOM    416  CG  LYS A  25       3.832  16.499  13.661  1.00  0.810          C  
ATOM    417  CD  LYS A  25       4.216  17.941  13.959  1.00  0.810          C  
ATOM    418  CE  LYS A  25       3.776  18.358  15.359  1.00  0.810          C  
ATOM    419  NZ  LYS A  25       4.176  19.759  15.677  1.00  0.810          N  
ATOM    420  H   LYS A  25       5.544  14.086  13.279  1.00  0.700          H  
ATOM    421  HA  LYS A  25       2.922  14.435  12.226  1.00  0.700          H  
ATOM    422 1HB  LYS A  25       5.351  16.225  12.199  1.00  0.970          H  
ATOM    423 2HB  LYS A  25       3.802  16.730  11.539  1.00  0.970          H  
ATOM    424 1HG  LYS A  25       2.750  16.396  13.736  1.00  0.970          H  
ATOM    425 2HG  LYS A  25       4.282  15.847  14.400  1.00  0.970          H  
ATOM    426 1HD  LYS A  25       5.303  18.041  13.886  1.00  0.970          H  
ATOM    427 2HD  LYS A  25       3.756  18.603  13.225  1.00  0.970          H  
ATOM    428 1HE  LYS A  25       2.694  18.273  15.432  1.00  0.970          H  
ATOM    429 2HE  LYS A  25       4.234  17.686  16.088  1.00  0.970          H  
ATOM    430 1HZ  LYS A  25       3.868  19.995  16.611  1.00  0.970          H  
ATOM    431 2HZ  LYS A  25       5.181  19.841  15.625  1.00  0.970          H  
ATOM    432 3HZ  LYS A  25       3.751  20.392  15.015  1.00  0.970          H  
ATOM    433  N   LEU A  26       5.245  14.057   9.916  1.00  0.630          N  
ATOM    434  CA  LEU A  26       5.367  13.801   8.485  1.00  0.780          C  
ATOM    435  C   LEU A  26       4.495  12.614   8.140  1.00  0.780          C  
ATOM    436  O   LEU A  26       3.729  12.671   7.184  1.00  0.870          O  
ATOM    437  CB  LEU A  26       6.811  13.449   8.090  1.00  1.030          C  
ATOM    438  CG  LEU A  26       7.869  14.556   8.196  1.00  1.030          C  
ATOM    439  CD1 LEU A  26       9.203  13.956   7.981  1.00  1.030          C  
ATOM    440  CD2 LEU A  26       7.649  15.638   7.164  1.00  1.030          C  
ATOM    441  H   LEU A  26       6.061  14.056  10.534  1.00  0.760          H  
ATOM    442  HA  LEU A  26       5.018  14.664   7.933  1.00  0.940          H  
ATOM    443 1HB  LEU A  26       7.140  12.633   8.723  1.00  1.240          H  
ATOM    444 2HB  LEU A  26       6.806  13.092   7.058  1.00  1.240          H  
ATOM    445  HG  LEU A  26       7.838  14.984   9.187  1.00  1.240          H  
ATOM    446 1HD1 LEU A  26       9.935  14.723   8.087  1.00  1.240          H  
ATOM    447 2HD1 LEU A  26       9.389  13.184   8.693  1.00  1.240          H  
ATOM    448 3HD1 LEU A  26       9.260  13.546   7.003  1.00  1.240          H  
ATOM    449 1HD2 LEU A  26       8.428  16.394   7.265  1.00  1.240          H  
ATOM    450 2HD2 LEU A  26       7.703  15.202   6.168  1.00  1.240          H  
ATOM    451 3HD2 LEU A  26       6.685  16.101   7.315  1.00  1.240          H  
ATOM    452  N   ARG A  27       4.500  11.567   8.969  1.00  0.750          N  
ATOM    453  CA  ARG A  27       3.668  10.409   8.649  1.00  0.880          C  
ATOM    454  C   ARG A  27       2.217  10.828   8.451  1.00  0.840          C  
ATOM    455  O   ARG A  27       1.571  10.432   7.467  1.00  0.950          O  
ATOM    456  CB  ARG A  27       3.716   9.366   9.755  1.00  1.180          C  
ATOM    457  CG  ARG A  27       2.989   8.075   9.441  1.00  1.180          C  
ATOM    458  CD  ARG A  27       3.202   7.069  10.498  1.00  1.180          C  
ATOM    459  NE  ARG A  27       2.533   5.818  10.188  1.00  1.180          N  
ATOM    460  CZ  ARG A  27       2.612   4.685  10.923  1.00  1.180          C  
ATOM    461  NH1 ARG A  27       3.344   4.643  12.019  1.00  1.180          N  
ATOM    462  NH2 ARG A  27       1.948   3.608  10.533  1.00  1.180          N  
ATOM    463  H   ARG A  27       5.165  11.551   9.752  1.00  0.900          H  
ATOM    464  HA  ARG A  27       4.024   9.960   7.731  1.00  1.060          H  
ATOM    465 1HB  ARG A  27       4.718   9.147  10.041  1.00  1.420          H  
ATOM    466 2HB  ARG A  27       3.231   9.776  10.635  1.00  1.420          H  
ATOM    467 1HG  ARG A  27       1.918   8.260   9.360  1.00  1.420          H  
ATOM    468 2HG  ARG A  27       3.358   7.664   8.501  1.00  1.420          H  
ATOM    469 1HD  ARG A  27       4.268   6.875  10.602  1.00  1.420          H  
ATOM    470 2HD  ARG A  27       2.805   7.448  11.439  1.00  1.420          H  
ATOM    471  HE  ARG A  27       1.961   5.791   9.357  1.00  1.420          H  
ATOM    472 1HH1 ARG A  27       3.852   5.459  12.325  1.00  1.420          H  
ATOM    473 2HH1 ARG A  27       3.396   3.792  12.564  1.00  1.420          H  
ATOM    474 1HH2 ARG A  27       1.389   3.637   9.693  1.00  1.420          H  
ATOM    475 2HH2 ARG A  27       2.000   2.755  11.073  1.00  1.420          H  
ATOM    476  N   LYS A  28       1.704  11.638   9.385  1.00  0.740          N  
ATOM    477  CA  LYS A  28       0.321  12.097   9.306  1.00  0.830          C  
ATOM    478  C   LYS A  28       0.073  12.961   8.064  1.00  0.790          C  
ATOM    479  O   LYS A  28      -0.942  12.793   7.379  1.00  0.900          O  
ATOM    480  CB  LYS A  28      -0.038  12.893  10.561  1.00  1.130          C  
ATOM    481  CG  LYS A  28      -0.140  12.043  11.822  1.00  1.130          C  
ATOM    482  CD  LYS A  28      -0.473  12.892  13.046  1.00  1.130          C  
ATOM    483  CE  LYS A  28      -0.535  12.039  14.309  1.00  1.130          C  
ATOM    484  NZ  LYS A  28      -0.829  12.857  15.522  1.00  1.130          N  
ATOM    485  H   LYS A  28       2.303  11.895  10.181  1.00  0.890          H  
ATOM    486  HA  LYS A  28      -0.324  11.229   9.244  1.00  1.000          H  
ATOM    487 1HB  LYS A  28       0.718  13.660  10.733  1.00  1.350          H  
ATOM    488 2HB  LYS A  28      -0.992  13.399  10.411  1.00  1.350          H  
ATOM    489 1HG  LYS A  28      -0.911  11.285  11.684  1.00  1.350          H  
ATOM    490 2HG  LYS A  28       0.815  11.540  11.986  1.00  1.350          H  
ATOM    491 1HD  LYS A  28       0.298  13.655  13.176  1.00  1.350          H  
ATOM    492 2HD  LYS A  28      -1.433  13.388  12.902  1.00  1.350          H  
ATOM    493 1HE  LYS A  28      -1.313  11.286  14.195  1.00  1.350          H  
ATOM    494 2HE  LYS A  28       0.425  11.539  14.447  1.00  1.350          H  
ATOM    495 1HZ  LYS A  28      -0.860  12.257  16.335  1.00  1.350          H  
ATOM    496 2HZ  LYS A  28      -0.108  13.553  15.647  1.00  1.350          H  
ATOM    497 3HZ  LYS A  28      -1.722  13.316  15.413  1.00  1.350          H  
ATOM    498  N   ARG A  29       1.007  13.860   7.747  1.00  0.720          N  
ATOM    499  CA  ARG A  29       0.864  14.712   6.576  1.00  0.840          C  
ATOM    500  C   ARG A  29       0.868  13.912   5.274  1.00  0.890          C  
ATOM    501  O   ARG A  29       0.057  14.181   4.385  1.00  1.020          O  
ATOM    502  CB  ARG A  29       1.988  15.723   6.531  1.00  1.130          C  
ATOM    503  CG  ARG A  29       1.927  16.805   7.577  1.00  1.130          C  
ATOM    504  CD  ARG A  29       3.161  17.617   7.585  1.00  1.130          C  
ATOM    505  NE  ARG A  29       3.309  18.396   6.356  1.00  1.130          N  
ATOM    506  CZ  ARG A  29       4.438  19.017   5.953  1.00  1.130          C  
ATOM    507  NH1 ARG A  29       5.541  18.947   6.678  1.00  1.130          N  
ATOM    508  NH2 ARG A  29       4.428  19.705   4.824  1.00  1.130          N  
ATOM    509  H   ARG A  29       1.810  13.980   8.374  1.00  0.860          H  
ATOM    510  HA  ARG A  29      -0.080  15.246   6.656  1.00  1.010          H  
ATOM    511 1HB  ARG A  29       2.929  15.199   6.658  1.00  1.350          H  
ATOM    512 2HB  ARG A  29       2.001  16.195   5.549  1.00  1.350          H  
ATOM    513 1HG  ARG A  29       1.087  17.467   7.360  1.00  1.350          H  
ATOM    514 2HG  ARG A  29       1.791  16.366   8.561  1.00  1.350          H  
ATOM    515 1HD  ARG A  29       3.126  18.305   8.427  1.00  1.350          H  
ATOM    516 2HD  ARG A  29       4.017  16.954   7.686  1.00  1.350          H  
ATOM    517  HE  ARG A  29       2.490  18.486   5.760  1.00  1.350          H  
ATOM    518 1HH1 ARG A  29       5.550  18.429   7.545  1.00  1.350          H  
ATOM    519 2HH1 ARG A  29       6.380  19.417   6.370  1.00  1.350          H  
ATOM    520 1HH2 ARG A  29       3.581  19.754   4.273  1.00  1.350          H  
ATOM    521 2HH2 ARG A  29       5.263  20.179   4.510  1.00  1.350          H  
ATOM    522  N   LEU A  30       1.742  12.909   5.177  1.00  0.890          N  
ATOM    523  CA  LEU A  30       1.872  12.092   3.974  1.00  1.040          C  
ATOM    524  C   LEU A  30       0.575  11.360   3.719  1.00  1.140          C  
ATOM    525  O   LEU A  30       0.125  11.283   2.575  1.00  1.270          O  
ATOM    526  CB  LEU A  30       3.005  11.092   4.173  1.00  1.400          C  
ATOM    527  CG  LEU A  30       4.406  11.703   4.271  1.00  1.400          C  
ATOM    528  CD1 LEU A  30       5.311  10.687   4.742  1.00  1.400          C  
ATOM    529  CD2 LEU A  30       4.875  12.210   2.966  1.00  1.400          C  
ATOM    530  H   LEU A  30       2.384  12.754   5.957  1.00  1.070          H  
ATOM    531  HA  LEU A  30       2.070  12.743   3.127  1.00  1.250          H  
ATOM    532 1HB  LEU A  30       2.819  10.538   5.094  1.00  1.680          H  
ATOM    533 2HB  LEU A  30       2.994  10.391   3.340  1.00  1.680          H  
ATOM    534  HG  LEU A  30       4.383  12.508   4.961  1.00  1.680          H  
ATOM    535 1HD1 LEU A  30       6.289  11.099   4.850  1.00  1.680          H  
ATOM    536 2HD1 LEU A  30       4.957  10.339   5.684  1.00  1.680          H  
ATOM    537 3HD1 LEU A  30       5.327   9.880   4.033  1.00  1.680          H  
ATOM    538 1HD2 LEU A  30       5.850  12.639   3.087  1.00  1.680          H  
ATOM    539 2HD2 LEU A  30       4.926  11.407   2.253  1.00  1.680          H  
ATOM    540 3HD2 LEU A  30       4.204  12.974   2.604  1.00  1.680          H  
ATOM    541  N   LEU A  31      -0.043  10.865   4.797  1.00  1.160          N  
ATOM    542  CA  LEU A  31      -1.320  10.163   4.752  1.00  1.380          C  
ATOM    543  C   LEU A  31      -2.452  11.081   4.286  1.00  1.390          C  
ATOM    544  O   LEU A  31      -3.231  10.717   3.405  1.00  1.640          O  
ATOM    545  CB  LEU A  31      -1.626   9.583   6.147  1.00  1.840          C  
ATOM    546  CG  LEU A  31      -2.979   8.824   6.385  1.00  1.840          C  
ATOM    547  CD1 LEU A  31      -3.092   7.609   5.471  1.00  1.840          C  
ATOM    548  CD2 LEU A  31      -3.032   8.399   7.858  1.00  1.840          C  
ATOM    549  H   LEU A  31       0.445  10.931   5.697  1.00  1.390          H  
ATOM    550  HA  LEU A  31      -1.230   9.351   4.048  1.00  1.660          H  
ATOM    551 1HB  LEU A  31      -0.818   8.900   6.405  1.00  2.210          H  
ATOM    552 2HB  LEU A  31      -1.590  10.403   6.863  1.00  2.210          H  
ATOM    553  HG  LEU A  31      -3.818   9.490   6.171  1.00  2.210          H  
ATOM    554 1HD1 LEU A  31      -4.035   7.098   5.660  1.00  2.210          H  
ATOM    555 2HD1 LEU A  31      -3.076   7.931   4.449  1.00  2.210          H  
ATOM    556 3HD1 LEU A  31      -2.266   6.924   5.657  1.00  2.210          H  
ATOM    557 1HD2 LEU A  31      -3.971   7.879   8.057  1.00  2.210          H  
ATOM    558 2HD2 LEU A  31      -2.195   7.735   8.076  1.00  2.210          H  
ATOM    559 3HD2 LEU A  31      -2.965   9.283   8.493  1.00  2.210          H  
ATOM    560  N   ARG A  32      -2.522  12.283   4.863  1.00  1.280          N  
ATOM    561  CA  ARG A  32      -3.559  13.246   4.505  1.00  1.450          C  
ATOM    562  C   ARG A  32      -3.468  13.704   3.041  1.00  1.350          C  
ATOM    563  O   ARG A  32      -4.487  13.824   2.361  1.00  1.550          O  
ATOM    564  CB  ARG A  32      -3.458  14.453   5.421  1.00  1.960          C  
ATOM    565  CG  ARG A  32      -3.885  14.185   6.861  1.00  1.960          C  
ATOM    566  CD  ARG A  32      -3.584  15.330   7.743  1.00  1.960          C  
ATOM    567  NE  ARG A  32      -3.981  15.068   9.121  1.00  1.960          N  
ATOM    568  CZ  ARG A  32      -3.695  15.859  10.177  1.00  1.960          C  
ATOM    569  NH1 ARG A  32      -3.003  16.971  10.011  1.00  1.960          N  
ATOM    570  NH2 ARG A  32      -4.116  15.516  11.382  1.00  1.960          N  
ATOM    571  H   ARG A  32      -1.859  12.518   5.610  1.00  1.540          H  
ATOM    572  HA  ARG A  32      -4.527  12.775   4.657  1.00  1.740          H  
ATOM    573 1HB  ARG A  32      -2.427  14.807   5.435  1.00  2.350          H  
ATOM    574 2HB  ARG A  32      -4.076  15.259   5.026  1.00  2.350          H  
ATOM    575 1HG  ARG A  32      -4.958  14.009   6.887  1.00  2.350          H  
ATOM    576 2HG  ARG A  32      -3.371  13.307   7.240  1.00  2.350          H  
ATOM    577 1HD  ARG A  32      -2.508  15.505   7.727  1.00  2.350          H  
ATOM    578 2HD  ARG A  32      -4.111  16.217   7.395  1.00  2.350          H  
ATOM    579  HE  ARG A  32      -4.518  14.227   9.297  1.00  2.350          H  
ATOM    580 1HH1 ARG A  32      -2.681  17.238   9.094  1.00  2.350          H  
ATOM    581 2HH1 ARG A  32      -2.795  17.563  10.805  1.00  2.350          H  
ATOM    582 1HH2 ARG A  32      -4.648  14.664  11.508  1.00  2.350          H  
ATOM    583 2HH2 ARG A  32      -3.912  16.102  12.179  1.00  2.350          H  
ATOM    584  N   ASP A  33      -2.246  13.929   2.545  1.00  1.190          N  
ATOM    585  CA  ASP A  33      -2.045  14.370   1.168  1.00  1.240          C  
ATOM    586  C   ASP A  33      -1.916  13.224   0.171  1.00  1.160          C  
ATOM    587  O   ASP A  33      -2.183  13.413  -1.021  1.00  1.820          O  
ATOM    588  CB  ASP A  33      -0.824  15.278   1.025  1.00  1.720          C  
ATOM    589  CG  ASP A  33      -0.967  16.651   1.726  1.00  1.720          C  
ATOM    590  OD1 ASP A  33      -1.953  17.328   1.512  1.00  1.720          O  
ATOM    591  OD2 ASP A  33      -0.060  17.016   2.436  1.00  1.720          O  
ATOM    592  H   ASP A  33      -1.430  13.855   3.168  1.00  1.430          H  
ATOM    593  HA  ASP A  33      -2.920  14.951   0.881  1.00  1.490          H  
ATOM    594 1HB  ASP A  33       0.046  14.765   1.446  1.00  2.060          H  
ATOM    595 2HB  ASP A  33      -0.621  15.442  -0.034  1.00  2.060          H  
ATOM    596  N   ALA A  34      -1.488  12.046   0.629  1.00  1.220          N  
ATOM    597  CA  ALA A  34      -1.200  10.890  -0.213  1.00  1.760          C  
ATOM    598  C   ALA A  34      -0.135  11.252  -1.215  1.00  1.790          C  
ATOM    599  O   ALA A  34      -0.283  11.019  -2.420  1.00  2.250          O  
ATOM    600  CB  ALA A  34      -2.453  10.393  -0.924  1.00  2.250          C  
ATOM    601  H   ALA A  34      -1.270  11.930   1.617  1.00  1.460          H  
ATOM    602  HA  ALA A  34      -0.808  10.105   0.422  1.00  2.110          H  
ATOM    603 1HB  ALA A  34      -2.196   9.522  -1.521  1.00  2.700          H  
ATOM    604 2HB  ALA A  34      -3.205  10.121  -0.190  1.00  2.700          H  
ATOM    605 3HB  ALA A  34      -2.848  11.165  -1.575  1.00  2.700          H  
ATOM    606  N   ASP A  35       0.938  11.834  -0.689  1.00  1.840          N  
ATOM    607  CA  ASP A  35       2.056  12.270  -1.519  1.00  2.130          C  
ATOM    608  C   ASP A  35       3.360  12.309  -0.720  1.00  2.350          C  
ATOM    609  O   ASP A  35       3.361  12.005   0.467  1.00  2.920          O  
ATOM    610  CB  ASP A  35       1.708  13.664  -2.098  1.00  2.870          C  
ATOM    611  CG  ASP A  35       2.407  14.033  -3.436  1.00  2.870          C  
ATOM    612  OD1 ASP A  35       3.435  13.462  -3.719  1.00  2.870          O  
ATOM    613  OD2 ASP A  35       1.905  14.881  -4.141  1.00  2.870          O  
ATOM    614  H   ASP A  35       0.944  11.932   0.328  1.00  2.210          H  
ATOM    615  HA  ASP A  35       2.176  11.567  -2.346  1.00  2.560          H  
ATOM    616 1HB  ASP A  35       0.625  13.724  -2.249  1.00  3.440          H  
ATOM    617 2HB  ASP A  35       1.969  14.426  -1.357  1.00  3.440          H  
ATOM    618  N   ASP A  36       4.453  12.682  -1.376  1.00  2.480          N  
ATOM    619  CA  ASP A  36       5.797  12.812  -0.790  1.00  2.920          C  
ATOM    620  C   ASP A  36       6.102  14.144  -0.113  1.00  2.250          C  
ATOM    621  O   ASP A  36       5.492  15.170  -0.417  1.00  2.490          O  
ATOM    622  CB  ASP A  36       6.879  12.586  -1.838  1.00  3.910          C  
ATOM    623  CG  ASP A  36       7.089  11.143  -2.229  1.00  3.910          C  
ATOM    624  OD1 ASP A  36       6.802  10.267  -1.450  1.00  3.910          O  
ATOM    625  OD2 ASP A  36       7.572  10.913  -3.322  1.00  3.910          O  
ATOM    626  H   ASP A  36       4.332  12.892  -2.370  1.00  2.980          H  
ATOM    627  HA  ASP A  36       5.897  12.031  -0.033  1.00  3.500          H  
ATOM    628 1HB  ASP A  36       6.626  13.162  -2.737  1.00  4.690          H  
ATOM    629 2HB  ASP A  36       7.828  12.985  -1.462  1.00  4.690          H  
ATOM    630  N   LEU A  37       7.078  14.120   0.785  1.00  2.010          N  
ATOM    631  CA  LEU A  37       7.622  15.308   1.440  1.00  1.980          C  
ATOM    632  C   LEU A  37       9.141  15.251   1.428  1.00  2.360          C  
ATOM    633  O   LEU A  37       9.805  16.284   1.451  1.00  2.610          O  
ATOM    634  OXT LEU A  37       9.703  14.194   1.161  1.00  2.970          O  
ATOM    635  CB  LEU A  37       7.125  15.437   2.884  1.00  2.690          C  
ATOM    636  CG  LEU A  37       5.607  15.702   3.067  1.00  2.690          C  
ATOM    637  CD1 LEU A  37       5.222  15.537   4.528  1.00  2.690          C  
ATOM    638  CD2 LEU A  37       5.273  17.114   2.623  1.00  2.690          C  
ATOM    639  H   LEU A  37       7.502  13.217   0.988  1.00  2.410          H  
ATOM    640  HA  LEU A  37       7.321  16.180   0.867  1.00  2.380          H  
ATOM    641 1HB  LEU A  37       7.380  14.535   3.421  1.00  3.230          H  
ATOM    642 2HB  LEU A  37       7.664  16.263   3.353  1.00  3.230          H  
ATOM    643  HG  LEU A  37       5.045  15.008   2.474  1.00  3.230          H  
ATOM    644 1HD1 LEU A  37       4.163  15.720   4.629  1.00  3.230          H  
ATOM    645 2HD1 LEU A  37       5.450  14.533   4.868  1.00  3.230          H  
ATOM    646 3HD1 LEU A  37       5.771  16.250   5.117  1.00  3.230          H  
ATOM    647 1HD2 LEU A  37       4.208  17.291   2.757  1.00  3.230          H  
ATOM    648 2HD2 LEU A  37       5.842  17.822   3.222  1.00  3.230          H  
ATOM    649 3HD2 LEU A  37       5.523  17.246   1.577  1.00  3.230          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 -203.505 21.9662 159.361 -14.5931 3.06995 9.08957 82.4817 -87.9579 -0.22933 -1.44061 -81.728 -6.77344 -30.7896 -1.31261 -2.29982 -2.85709 0 0.1427 3.28957 24.8331 34.6082 -3.72741 0.7146 -16.0259 -5.40042 20.003 -99.0809
ASP:NtermProteinFull_1 -1.59407 0.04681 1.99749 -0.14845 0.03658 0.49316 1.12049 -1.00898 -0.02834 -0.12359 -0.82426 -1.62083 0 0 0 0 0 0.00471 0.13739 0 2.22448 0 0 -2.3716 0 0.24334 -1.41566
TRP_2 -5.4177 0.69215 2.11588 -1.24282 0.25549 0.37449 1.62468 -1.86302 -0.01253 -0.08792 -0.82878 -0.64083 0 0 0 0 0 -0.03741 0.94373 0 1.91042 0.05125 0 1.6906 -0.1556 0.98505 0.35713
PHE_3 -5.52718 0.80904 2.21942 -0.67977 0.16762 0.34608 1.41451 -1.8642 -0.02834 -0.12359 -0.59156 -0.00063 0 0 0 0 0 0.101 0.05031 0 2.75034 0.04473 0 1.0402 -0.27219 1.02603 0.88183
LYS_4 -4.28953 0.53788 6.9561 -0.7431 0.10735 0.68453 3.23484 -2.94993 -0.0009 -0.00742 -5.3913 0.0066 0 0 0 -0.78583 0 -0.02694 0.18424 2.92859 0 0.03072 0 -1.5107 -0.2097 0.61684 -0.62764
ALA_5 -4.50007 0.29199 3.98031 -0.02234 0 0 2.38998 -2.39316 -0.00814 -0.05425 -1.72204 -0.34254 0 0 0 0 0 -0.05016 0 0 0 -0.28347 0 1.8394 -0.33566 0.47248 -0.73769
PHE_6 -10.8418 1.15974 4.81003 -0.49998 0.07443 0.20816 2.68383 -3.73054 -0 -0 -3.12297 -0.17823 0 0 0 0 0 -0.01805 0.03007 0 3.73804 -0.3339 0 1.0402 -0.27494 0.5208 -4.73512
TYR_7 -9.26116 1.27128 5.44025 -0.97186 0.18894 0.44648 2.9437 -3.42675 -0.03032 -0.21966 -2.78358 -0.24541 0 0 0 0 0 -0.03415 0.08333 0 2.73269 -0.00761 0.11105 1.2797 -0.02638 1.10702 -1.40246
ASP_8 -5.0276 0.55977 8.068 -0.10769 0.01334 0.32898 3.74934 -3.46036 -0 -0 -6.30561 -0.29022 0 0 0 -0.78583 0 -0.02935 0.05576 0 1.71038 0.25204 0 -2.3716 -0.04563 0.90004 -2.78624
LYS_9 -4.67845 0.1901 6.60866 -0.55225 0.15545 0.24767 2.97532 -2.87849 -0.01899 -0.17015 -4.94838 0.04928 0 0 0 -0.64272 0 -0.01069 0.02732 2.94527 0 0.05696 0 -1.5107 -0.03015 0.2757 -1.90925
VAL_10 -8.53598 1.21254 3.92768 -0.31975 0.23634 0.0723 3.41069 -3.0043 -0.00814 -0.05425 -2.33451 -0.1765 0 0 0 0 0 -0.02818 0.00712 0.09249 0 -0.2853 0 1.9342 -0.05078 0.37321 -3.53113
ALA_11 -5.25205 0.60553 4.0092 -0.02173 0 0 2.68833 -2.62778 -0 -0 -3.15689 -0.35417 0 0 0 0 0 0.01437 0 0 0 -0.21513 0 1.8394 -0.2411 0.51394 -2.19807
GLU_12 -3.6998 0.22853 4.7835 -0.21035 0.02902 0.29374 1.64233 -2.17247 -0.04739 -0.29756 -0.60732 -0.58281 0 0 0 0 0 0.05588 0.02402 0 3.00339 -0.23686 0 -2.7348 -0.45042 0.38441 -0.59494
LYS_13 -4.66004 0.2902 5.39249 -0.39062 0.05547 0.1887 2.75482 -2.33196 -0 -0 -3.22062 -0.06145 0 0 -0.30304 0 0 -0.00195 0.26338 1.87672 0 0.08075 0 -1.5107 -0.26656 0.43651 -1.4079
PHE_14 -9.80028 1.27155 3.57816 -0.55694 0.10461 0.26422 3.29944 -2.88926 -0 -0 -4.17682 0.03267 0 0 0 0 0 -0.04121 0.10118 0 3.03041 0.06365 0 1.0402 0.05417 0.77683 -3.84742
LYS_15 -3.97033 0.54596 3.70211 -0.47734 0.15058 0.30688 1.79786 -1.92359 -0 -0 -1.12428 -0.22981 0 0 0 0 0 -0.08225 0.0083 1.84175 0 -0.06437 0 -1.5107 0.02007 0.90696 -0.10219
GLU_16 -1.44276 0.11194 1.86885 -0.23261 0.03841 0.35975 0.37636 -0.85567 -0.01928 -0.08619 -0.04095 -0.60841 0 0 0 0 0 -0.04934 0.00094 0 3.03442 -0.11489 0 -2.7348 -0.2964 0.47937 -0.21127
ALA_17 -2.37441 0.30423 1.3658 -0.02263 1e-05 0 1.18933 -1.03384 -0 -0 -0.82045 -0.32233 0 0 0 0 0 0.09728 0 0 0 0.56854 0 1.8394 0.45126 0.2443 1.48649
PHE_18 -6.72781 1.18357 2.28857 -0.61639 0.07762 0.2984 1.28525 -1.78498 -0 -0 -0.40047 0.24582 0 0 0 0 0 0.13838 0.03171 0 1.99239 -0.36342 0 1.0402 0.77787 1.09082 0.55753
PRO_19 -3.49208 0.6436 3.25407 -0.12221 0.00176 0.09028 1.99267 -1.43126 -0 -0 -1.93437 0.25019 0 0 0 0 0 -0.05722 0.02428 0.1789 0 -1.14418 0 -2.4119 -0.31791 1.16056 -3.31479
ALA_20 -3.52685 0.36067 3.49883 -0.02362 0 0 1.66651 -1.84616 -0 -0 -1.23654 -0.36438 0 0 0 0 0 -0.06934 0 0 0 -0.31107 0 1.8394 -0.43488 0.44074 -0.00669
SER_21 -3.82809 0.25116 4.39935 -0.02751 0 0.04277 1.48726 -2.04048 -0 -0 -0.56863 -1.0922 0 0 0 0 0 -0.01639 0.00026 0.26965 0 0.09156 0.60355 -0.77834 -0.3521 0.22487 -1.33332
HIS_D_22 -7.90247 0.82527 5.82954 -0.70645 0.0151 0.73737 2.96715 -3.05905 -0 -0 -1.70235 -0.30879 0 0 0 0 0 -0.02372 0.00019 0 1.90307 -0.13257 0 -0.45461 -0.23976 0.2399 -2.01218
LEU_23 -8.87584 0.84056 4.99362 -0.47684 0.20232 0.1066 2.6816 -3.22981 -0 -0 -2.14899 0.24462 0 0 0 0 0 0.13199 0.35396 0.30107 0 -0.28186 0 0.18072 -0.13435 0.51308 -4.59754
ARG_24 -5.74875 0.33832 6.48927 -0.70727 0.08729 0.44634 2.5038 -3.08984 -0 -0 -2.07991 0.2946 0 0 0 0 0 0.15612 0.04962 1.44586 0 -0.04906 0 -1.2888 -0.33442 0.51305 -0.9738
LYS_25 -5.08407 0.31379 5.82182 -0.30902 0.0278 0.14071 2.7978 -2.63437 -0 -0 -2.29803 -0.03065 0 0 0 0 0 0.01462 0.01619 1.72364 0 -0.04426 0 -1.5107 -0.42571 0.38979 -1.09067
LEU_26 -9.97213 1.3706 4.38883 -0.47122 0.15575 0.09956 2.90185 -3.24893 -0.0096 -0.06646 -2.44789 0.218 0 0 0 0 0 -0.01866 0.0239 0.43278 0 -0.25225 0 0.18072 -0.39735 0.67495 -6.43756
ARG_27 -6.37489 0.69439 5.35733 -0.54771 0.06759 0.31377 2.23026 -2.60655 -0.00778 -0.08309 -2.04287 0.28834 0 0 0 0 0 -0.01168 0.19078 2.37726 0 -0.10272 0 -1.2888 -0.14374 0.61659 -1.07351
LYS_28 -5.1259 0.27752 5.70316 -0.30544 0.03151 0.13779 2.44092 -2.5513 -0 -0 -2.10468 0.00752 0 0 0 0 0 0.02001 0.0067 1.7563 0 0.01437 0 -1.5107 -0.20333 0.2347 -1.17089
ARG_29 -6.92474 0.34434 6.37364 -0.64482 0.08908 0.37517 2.78634 -3.14592 -0 -0 -2.44223 0.47226 0 0 0 0 0 -0.04425 0.06822 2.40682 0 -0.07598 0 -1.2888 -0.38122 0.21439 -1.81771
LEU_30 -10.0711 1.65036 4.87859 -0.51024 0.26406 0.11337 3.58146 -3.5412 -0 -0 -3.42828 0.26113 0 0 0 0 0 0.07003 0.17965 0.35582 0 -0.27066 0 0.18072 -0.35032 0.48346 -6.15318
LEU_31 -4.80822 0.4852 3.59183 -0.65705 0.11699 0.22564 1.8535 -2.09052 -0.0096 -0.06646 -0.72403 0.10019 0 0 0 0 0 0.00258 0.01537 0.81397 0 -0.21171 0 0.18072 -0.16772 0.55398 -0.79534
ARG_32 -3.70483 0.12191 4.20748 -0.44968 0.05494 0.22606 1.36537 -1.86215 -0 -0 -0.95634 0.37755 0 0 0 0 0 -0.01904 0.11332 2.07352 0 -0.09494 0 -1.2888 -0.22925 0.3088 0.24391
ASP_33 -3.0476 0.22954 3.84512 -0.11019 0.00534 0.34282 1.17657 -1.75873 -0 -0 -0.86235 -0.36719 0 0 0 0 0 -0.00475 0.03979 0 2.15626 -0.36586 0 -2.3716 -0.35079 0.33468 -1.10894
ALA_34 -3.47703 0.55707 2.02779 -0.02786 0.01257 0 1.42998 -1.55498 -0 -0 -0.97341 -0.60732 0 0 0 0 0 -0.06427 0 0 0 0.28046 0 1.8394 0.12535 0.38203 -0.05022
ASP_35 -4.10344 0.42151 4.27362 -0.10292 0.00516 0.30302 1.83325 -2.14593 -0 -0 -1.93331 -1.25823 0 0 -0.84687 0 0 -0.01252 0.00016 0 2.18314 -0.19174 0 -2.3716 0.29364 0.40813 -3.24494
ASP_36 -3.49966 0.21132 4.34229 -0.09732 0.019 0.26685 2.12498 -1.9479 -0 -0 -5.60765 -0.15873 0 0 -0.84687 -0.64272 0 0.08727 0.19739 0 2.23877 0.17138 0 -2.3716 0.0152 0.48939 -5.0086
LEU:CtermProteinFull_37 -6.33638 0.71627 2.97221 -0.47905 0.22242 0.20788 2.07939 -1.97352 -0 -0 -3.83535 0.21945 0 0 -0.30304 0 0 0 0.06097 1.01268 0 0 0 0.18072 -0.01961 0.46622 -4.80871
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 691853 DOMAINID 682969 MODEL 5 pep3_AB
MODEL     5
REMARK    Rerank model03.pdb to model05.pdb score: 10.373
REMARK    CLUSTER 0003 t000_.out.valid.rescored.best_scoring.binary cluster_size: 11 cluster_threshold: 1.755808
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE            time:           0.000
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE           score:         -81.901
REMARK    SCORE          fa_sol:         145.038
REMARK    SCORE     hbond_sr_bb:         -25.360
REMARK    SCORE     cart_bonded:          17.742
REMARK    SCORE         fa_elec:         -79.932
REMARK    SCORE          fa_dun:          58.267
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE          fa_rep:          19.292
REMARK    SCORE             ref:           2.212
REMARK    SCORE         p_aa_pp:          -5.224
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     total_score:         -81.901
REMARK    SCORE     description: cluster0003_0001
REMARK    SCORE        hbond_sc:          -4.124
REMARK    SCORE    fa_intra_rep:           0.388
REMARK    SCORE fa_intra_sol_xover4:           9.297
REMARK    SCORE     hbond_bb_sc:          -4.042
REMARK    SCORE          fa_atr:        -203.861
REMARK    SCORE     rama_prepro:          -5.891
REMARK    SCORE           omega:          -0.086
REMARK    SCORE     lk_ball_wtd:          -5.619
REMARK    SCORE     hbond_lr_bb:           0.000
ATOM      1  N   ASP A   1      -0.011   0.046   0.387  1.00  1.440          N  
ATOM      2  CA  ASP A   1       1.415  -0.023   0.103  1.00  1.330          C  
ATOM      3  C   ASP A   1       2.093   1.338   0.240  1.00  1.180          C  
ATOM      4  O   ASP A   1       1.888   2.228  -0.587  1.00  1.080          O  
ATOM      5  CB  ASP A   1       1.637  -0.611  -1.304  1.00  1.910          C  
ATOM      6  CG  ASP A   1       3.100  -0.751  -1.698  1.00  1.910          C  
ATOM      7  OD1 ASP A   1       3.899  -0.033  -1.149  1.00  1.910          O  
ATOM      8  OD2 ASP A   1       3.409  -1.534  -2.574  1.00  1.910          O  
ATOM      9 1H   ASP A   1      -0.332  -0.842   0.746  1.00  1.730          H  
ATOM     10 2H   ASP A   1      -0.197   0.775   1.060  1.00  1.730          H  
ATOM     11 3H   ASP A   1      -0.487   0.251  -0.482  1.00  1.730          H  
ATOM     12  HA  ASP A   1       1.873  -0.701   0.826  1.00  1.600          H  
ATOM     13 1HB  ASP A   1       1.171  -1.605  -1.358  1.00  2.290          H  
ATOM     14 2HB  ASP A   1       1.127   0.008  -2.046  1.00  2.290          H  
ATOM     15  N   TRP A   2       2.851   1.534   1.328  1.00  1.260          N  
ATOM     16  CA  TRP A   2       3.537   2.811   1.553  1.00  1.240          C  
ATOM     17  C   TRP A   2       4.420   3.264   0.417  1.00  1.150          C  
ATOM     18  O   TRP A   2       4.346   4.414  -0.010  1.00  1.090          O  
ATOM     19  CB  TRP A   2       4.413   2.766   2.801  1.00  1.740          C  
ATOM     20  CG  TRP A   2       5.391   3.921   2.854  1.00  1.740          C  
ATOM     21  CD1 TRP A   2       6.745   3.816   2.699  1.00  1.740          C  
ATOM     22  CD2 TRP A   2       5.121   5.335   3.007  1.00  1.740          C  
ATOM     23  NE1 TRP A   2       7.327   5.045   2.766  1.00  1.740          N  
ATOM     24  CE2 TRP A   2       6.356   5.990   2.951  1.00  1.740          C  
ATOM     25  CE3 TRP A   2       3.956   6.087   3.177  1.00  1.740          C  
ATOM     26  CZ2 TRP A   2       6.462   7.359   3.065  1.00  1.740          C  
ATOM     27  CZ3 TRP A   2       4.066   7.463   3.288  1.00  1.740          C  
ATOM     28  CH2 TRP A   2       5.287   8.081   3.238  1.00  1.740          C  
ATOM     29  H   TRP A   2       2.979   0.779   1.988  1.00  1.510          H  
ATOM     30  HA  TRP A   2       2.773   3.573   1.700  1.00  1.490          H  
ATOM     31 1HB  TRP A   2       3.790   2.797   3.694  1.00  2.090          H  
ATOM     32 2HB  TRP A   2       4.980   1.837   2.821  1.00  2.090          H  
ATOM     33  HD1 TRP A   2       7.283   2.885   2.545  1.00  2.090          H  
ATOM     34  HE1 TRP A   2       8.314   5.228   2.679  1.00  2.090          H  
ATOM     35  HE3 TRP A   2       2.985   5.602   3.217  1.00  2.090          H  
ATOM     36  HZ2 TRP A   2       7.423   7.873   3.017  1.00  2.090          H  
ATOM     37  HZ3 TRP A   2       3.155   8.041   3.419  1.00  2.090          H  
ATOM     38  HH2 TRP A   2       5.338   9.165   3.328  1.00  2.090          H  
ATOM     39  N   PHE A   3       5.295   2.384  -0.047  1.00  1.200          N  
ATOM     40  CA  PHE A   3       6.241   2.778  -1.067  1.00  1.190          C  
ATOM     41  C   PHE A   3       5.558   3.145  -2.356  1.00  1.040          C  
ATOM     42  O   PHE A   3       5.927   4.139  -2.996  1.00  1.030          O  
ATOM     43  CB  PHE A   3       7.245   1.666  -1.297  1.00  1.670          C  
ATOM     44  CG  PHE A   3       8.262   1.610  -0.238  1.00  1.670          C  
ATOM     45  CD1 PHE A   3       8.192   0.667   0.772  1.00  1.670          C  
ATOM     46  CD2 PHE A   3       9.302   2.517  -0.236  1.00  1.670          C  
ATOM     47  CE1 PHE A   3       9.144   0.639   1.765  1.00  1.670          C  
ATOM     48  CE2 PHE A   3      10.255   2.490   0.750  1.00  1.670          C  
ATOM     49  CZ  PHE A   3      10.177   1.551   1.755  1.00  1.670          C  
ATOM     50  H   PHE A   3       5.301   1.441   0.321  1.00  1.440          H  
ATOM     51  HA  PHE A   3       6.777   3.655  -0.704  1.00  1.430          H  
ATOM     52 1HB  PHE A   3       6.719   0.723  -1.312  1.00  2.000          H  
ATOM     53 2HB  PHE A   3       7.736   1.791  -2.253  1.00  2.000          H  
ATOM     54  HD1 PHE A   3       7.378  -0.060   0.778  1.00  2.000          H  
ATOM     55  HD2 PHE A   3       9.364   3.259  -1.041  1.00  2.000          H  
ATOM     56  HE1 PHE A   3       9.083  -0.108   2.558  1.00  2.000          H  
ATOM     57  HE2 PHE A   3      11.076   3.209   0.736  1.00  2.000          H  
ATOM     58  HZ  PHE A   3      10.933   1.529   2.537  1.00  2.000          H  
ATOM     59  N   LYS A   4       4.546   2.377  -2.739  1.00  1.010          N  
ATOM     60  CA  LYS A   4       3.883   2.703  -3.985  1.00  0.980          C  
ATOM     61  C   LYS A   4       3.043   3.970  -3.844  1.00  0.830          C  
ATOM     62  O   LYS A   4       3.059   4.824  -4.736  1.00  0.800          O  
ATOM     63  CB  LYS A   4       3.021   1.535  -4.456  1.00  1.380          C  
ATOM     64  CG  LYS A   4       2.573   1.584  -5.929  1.00  1.380          C  
ATOM     65  CD  LYS A   4       1.249   2.345  -6.096  1.00  1.380          C  
ATOM     66  CE  LYS A   4       0.615   2.103  -7.456  1.00  1.380          C  
ATOM     67  NZ  LYS A   4       1.395   2.738  -8.583  1.00  1.380          N  
ATOM     68  H   LYS A   4       4.276   1.559  -2.171  1.00  1.210          H  
ATOM     69  HA  LYS A   4       4.644   2.893  -4.735  1.00  1.180          H  
ATOM     70 1HB  LYS A   4       3.561   0.608  -4.313  1.00  1.660          H  
ATOM     71 2HB  LYS A   4       2.129   1.479  -3.834  1.00  1.660          H  
ATOM     72 1HG  LYS A   4       3.340   2.087  -6.518  1.00  1.660          H  
ATOM     73 2HG  LYS A   4       2.460   0.570  -6.315  1.00  1.660          H  
ATOM     74 1HD  LYS A   4       0.546   2.056  -5.317  1.00  1.660          H  
ATOM     75 2HD  LYS A   4       1.414   3.417  -6.031  1.00  1.660          H  
ATOM     76 1HE  LYS A   4       0.551   1.035  -7.618  1.00  1.660          H  
ATOM     77 2HE  LYS A   4      -0.389   2.520  -7.454  1.00  1.660          H  
ATOM     78 1HZ  LYS A   4       0.932   2.540  -9.458  1.00  1.660          H  
ATOM     79 2HZ  LYS A   4       1.440   3.772  -8.431  1.00  1.660          H  
ATOM     80 3HZ  LYS A   4       2.342   2.365  -8.633  1.00  1.660          H  
ATOM     81  N   ALA A   5       2.304   4.117  -2.737  1.00  0.870          N  
ATOM     82  CA  ALA A   5       1.470   5.296  -2.561  1.00  0.940          C  
ATOM     83  C   ALA A   5       2.318   6.553  -2.484  1.00  0.810          C  
ATOM     84  O   ALA A   5       1.986   7.584  -3.081  1.00  0.790          O  
ATOM     85  CB  ALA A   5       0.641   5.158  -1.302  1.00  1.290          C  
ATOM     86  H   ALA A   5       2.300   3.403  -2.003  1.00  1.040          H  
ATOM     87  HA  ALA A   5       0.812   5.380  -3.426  1.00  1.130          H  
ATOM     88 1HB  ALA A   5       0.006   6.032  -1.183  1.00  1.550          H  
ATOM     89 2HB  ALA A   5       0.026   4.263  -1.372  1.00  1.550          H  
ATOM     90 3HB  ALA A   5       1.310   5.071  -0.443  1.00  1.550          H  
ATOM     91  N   PHE A   6       3.437   6.453  -1.760  1.00  0.860          N  
ATOM     92  CA  PHE A   6       4.356   7.549  -1.598  1.00  0.960          C  
ATOM     93  C   PHE A   6       4.869   7.951  -2.953  1.00  0.830          C  
ATOM     94  O   PHE A   6       4.808   9.133  -3.296  1.00  0.870          O  
ATOM     95  CB  PHE A   6       5.466   7.183  -0.629  1.00  1.300          C  
ATOM     96  CG  PHE A   6       6.491   8.225  -0.442  1.00  1.300          C  
ATOM     97  CD1 PHE A   6       6.178   9.406   0.196  1.00  1.300          C  
ATOM     98  CD2 PHE A   6       7.780   8.015  -0.843  1.00  1.300          C  
ATOM     99  CE1 PHE A   6       7.132  10.362   0.406  1.00  1.300          C  
ATOM    100  CE2 PHE A   6       8.745   8.968  -0.629  1.00  1.300          C  
ATOM    101  CZ  PHE A   6       8.420  10.142  -0.007  1.00  1.300          C  
ATOM    102  H   PHE A   6       3.650   5.586  -1.267  1.00  1.030          H  
ATOM    103  HA  PHE A   6       3.814   8.395  -1.179  1.00  1.150          H  
ATOM    104 1HB  PHE A   6       5.031   6.949   0.336  1.00  1.560          H  
ATOM    105 2HB  PHE A   6       5.960   6.276  -0.977  1.00  1.560          H  
ATOM    106  HD1 PHE A   6       5.156   9.574   0.532  1.00  1.560          H  
ATOM    107  HD2 PHE A   6       8.030   7.075  -1.330  1.00  1.560          H  
ATOM    108  HE1 PHE A   6       6.871  11.293   0.905  1.00  1.560          H  
ATOM    109  HE2 PHE A   6       9.771   8.793  -0.948  1.00  1.560          H  
ATOM    110  HZ  PHE A   6       9.183  10.900   0.162  1.00  1.560          H  
ATOM    111  N   TYR A   7       5.339   6.974  -3.749  1.00  0.830          N  
ATOM    112  CA  TYR A   7       5.805   7.289  -5.081  1.00  0.980          C  
ATOM    113  C   TYR A   7       4.743   7.991  -5.893  1.00  0.820          C  
ATOM    114  O   TYR A   7       5.014   9.033  -6.479  1.00  0.930          O  
ATOM    115  CB  TYR A   7       6.293   6.090  -5.856  1.00  1.310          C  
ATOM    116  CG  TYR A   7       6.638   6.519  -7.263  1.00  1.310          C  
ATOM    117  CD1 TYR A   7       7.797   7.237  -7.500  1.00  1.310          C  
ATOM    118  CD2 TYR A   7       5.781   6.224  -8.311  1.00  1.310          C  
ATOM    119  CE1 TYR A   7       8.091   7.662  -8.767  1.00  1.310          C  
ATOM    120  CE2 TYR A   7       6.081   6.642  -9.583  1.00  1.310          C  
ATOM    121  CZ  TYR A   7       7.229   7.357  -9.818  1.00  1.310          C  
ATOM    122  OH  TYR A   7       7.524   7.788 -11.099  1.00  1.310          O  
ATOM    123  H   TYR A   7       5.383   6.002  -3.427  1.00  1.000          H  
ATOM    124  HA  TYR A   7       6.643   7.954  -4.996  1.00  1.180          H  
ATOM    125 1HB  TYR A   7       7.166   5.649  -5.388  1.00  1.570          H  
ATOM    126 2HB  TYR A   7       5.506   5.344  -5.889  1.00  1.570          H  
ATOM    127  HD1 TYR A   7       8.463   7.476  -6.686  1.00  1.570          H  
ATOM    128  HD2 TYR A   7       4.859   5.666  -8.125  1.00  1.570          H  
ATOM    129  HE1 TYR A   7       8.998   8.237  -8.954  1.00  1.570          H  
ATOM    130  HE2 TYR A   7       5.402   6.413 -10.403  1.00  1.570          H  
ATOM    131  HH  TYR A   7       6.751   7.679 -11.662  1.00  1.570          H  
ATOM    132  N   ASP A   8       3.512   7.467  -5.946  1.00  0.720          N  
ATOM    133  CA  ASP A   8       2.536   8.143  -6.790  1.00  0.840          C  
ATOM    134  C   ASP A   8       2.421   9.628  -6.432  1.00  0.750          C  
ATOM    135  O   ASP A   8       2.352  10.476  -7.330  1.00  0.930          O  
ATOM    136  CB  ASP A   8       1.126   7.546  -6.650  1.00  1.130          C  
ATOM    137  CG  ASP A   8       0.852   6.142  -7.280  1.00  1.130          C  
ATOM    138  OD1 ASP A   8       1.649   5.595  -8.031  1.00  1.130          O  
ATOM    139  OD2 ASP A   8      -0.220   5.651  -7.011  1.00  1.130          O  
ATOM    140  H   ASP A   8       3.284   6.598  -5.448  1.00  0.860          H  
ATOM    141  HA  ASP A   8       2.860   8.060  -7.827  1.00  1.010          H  
ATOM    142 1HB  ASP A   8       0.903   7.466  -5.580  1.00  1.350          H  
ATOM    143 2HB  ASP A   8       0.405   8.249  -7.065  1.00  1.350          H  
ATOM    144  N   LYS A   9       2.411   9.936  -5.126  1.00  0.630          N  
ATOM    145  CA  LYS A   9       2.283  11.317  -4.671  1.00  0.790          C  
ATOM    146  C   LYS A   9       3.498  12.182  -5.011  1.00  0.800          C  
ATOM    147  O   LYS A   9       3.347  13.310  -5.513  1.00  0.940          O  
ATOM    148  CB  LYS A   9       2.045  11.328  -3.161  1.00  1.040          C  
ATOM    149  CG  LYS A   9       0.672  10.801  -2.748  1.00  1.040          C  
ATOM    150  CD  LYS A   9       0.507  10.780  -1.233  1.00  1.040          C  
ATOM    151  CE  LYS A   9      -0.852  10.216  -0.832  1.00  1.040          C  
ATOM    152  NZ  LYS A   9      -1.011  10.147   0.648  1.00  1.040          N  
ATOM    153  H   LYS A   9       2.434   9.168  -4.442  1.00  0.760          H  
ATOM    154  HA  LYS A   9       1.416  11.754  -5.162  1.00  0.950          H  
ATOM    155 1HB  LYS A   9       2.800  10.704  -2.675  1.00  1.250          H  
ATOM    156 2HB  LYS A   9       2.159  12.340  -2.780  1.00  1.250          H  
ATOM    157 1HG  LYS A   9      -0.102  11.430  -3.187  1.00  1.250          H  
ATOM    158 2HG  LYS A   9       0.548   9.787  -3.133  1.00  1.250          H  
ATOM    159 1HD  LYS A   9       1.290  10.157  -0.796  1.00  1.250          H  
ATOM    160 2HD  LYS A   9       0.603  11.790  -0.840  1.00  1.250          H  
ATOM    161 1HE  LYS A   9      -1.637  10.849  -1.243  1.00  1.250          H  
ATOM    162 2HE  LYS A   9      -0.954   9.211  -1.245  1.00  1.250          H  
ATOM    163 1HZ  LYS A   9      -1.921   9.767   0.874  1.00  1.250          H  
ATOM    164 2HZ  LYS A   9      -0.293   9.551   1.036  1.00  1.250          H  
ATOM    165 3HZ  LYS A   9      -0.929  11.073   1.043  1.00  1.250          H  
ATOM    166  N   VAL A  10       4.707  11.665  -4.775  1.00  0.840          N  
ATOM    167  CA  VAL A  10       5.876  12.476  -5.079  1.00  1.100          C  
ATOM    168  C   VAL A  10       6.061  12.593  -6.572  1.00  0.980          C  
ATOM    169  O   VAL A  10       6.521  13.615  -7.045  1.00  1.050          O  
ATOM    170  CB  VAL A  10       7.183  11.980  -4.408  1.00  1.440          C  
ATOM    171  CG1 VAL A  10       7.064  12.057  -2.913  1.00  1.440          C  
ATOM    172  CG2 VAL A  10       7.486  10.592  -4.768  1.00  1.440          C  
ATOM    173  H   VAL A  10       4.778  10.730  -4.357  1.00  1.010          H  
ATOM    174  HA  VAL A  10       5.697  13.477  -4.688  1.00  1.320          H  
ATOM    175  HB  VAL A  10       7.996  12.614  -4.727  1.00  1.720          H  
ATOM    176 1HG1 VAL A  10       7.996  11.727  -2.461  1.00  1.720          H  
ATOM    177 2HG1 VAL A  10       6.859  13.082  -2.620  1.00  1.720          H  
ATOM    178 3HG1 VAL A  10       6.248  11.410  -2.579  1.00  1.720          H  
ATOM    179 1HG2 VAL A  10       8.395  10.315  -4.279  1.00  1.720          H  
ATOM    180 2HG2 VAL A  10       6.696  10.001  -4.422  1.00  1.720          H  
ATOM    181 3HG2 VAL A  10       7.598  10.453  -5.827  1.00  1.720          H  
ATOM    182  N   ALA A  11       5.721  11.567  -7.330  1.00  0.990          N  
ATOM    183  CA  ALA A  11       5.881  11.635  -8.761  1.00  1.190          C  
ATOM    184  C   ALA A  11       5.051  12.760  -9.352  1.00  1.110          C  
ATOM    185  O   ALA A  11       5.546  13.533 -10.174  1.00  1.300          O  
ATOM    186  CB  ALA A  11       5.469  10.324  -9.358  1.00  1.590          C  
ATOM    187  H   ALA A  11       5.358  10.722  -6.901  1.00  1.190          H  
ATOM    188  HA  ALA A  11       6.930  11.823  -8.977  1.00  1.430          H  
ATOM    189 1HB  ALA A  11       5.609  10.340 -10.435  1.00  1.900          H  
ATOM    190 2HB  ALA A  11       6.067   9.572  -8.915  1.00  1.900          H  
ATOM    191 3HB  ALA A  11       4.420  10.133  -9.128  1.00  1.900          H  
ATOM    192  N   GLU A  12       3.810  12.928  -8.880  1.00  0.970          N  
ATOM    193  CA  GLU A  12       2.990  14.005  -9.423  1.00  1.160          C  
ATOM    194  C   GLU A  12       3.560  15.379  -9.074  1.00  1.110          C  
ATOM    195  O   GLU A  12       3.513  16.302  -9.889  1.00  1.400          O  
ATOM    196  CB  GLU A  12       1.545  13.882  -8.941  1.00  1.550          C  
ATOM    197  CG  GLU A  12       0.803  12.674  -9.528  1.00  1.550          C  
ATOM    198  CD  GLU A  12       0.671  12.711 -11.040  1.00  1.550          C  
ATOM    199  OE1 GLU A  12       0.160  13.667 -11.574  1.00  1.550          O  
ATOM    200  OE2 GLU A  12       1.124  11.792 -11.662  1.00  1.550          O  
ATOM    201  H   GLU A  12       3.417  12.242  -8.225  1.00  1.160          H  
ATOM    202  HA  GLU A  12       2.989  13.911 -10.505  1.00  1.390          H  
ATOM    203 1HB  GLU A  12       1.536  13.782  -7.852  1.00  1.860          H  
ATOM    204 2HB  GLU A  12       0.995  14.786  -9.196  1.00  1.860          H  
ATOM    205 1HG  GLU A  12       1.343  11.771  -9.256  1.00  1.860          H  
ATOM    206 2HG  GLU A  12      -0.187  12.617  -9.081  1.00  1.860          H  
ATOM    207  N   LYS A  13       4.126  15.518  -7.875  1.00  0.870          N  
ATOM    208  CA  LYS A  13       4.733  16.784  -7.470  1.00  0.950          C  
ATOM    209  C   LYS A  13       6.071  17.059  -8.191  1.00  1.000          C  
ATOM    210  O   LYS A  13       6.359  18.188  -8.602  1.00  1.200          O  
ATOM    211  CB  LYS A  13       4.971  16.780  -5.959  1.00  1.300          C  
ATOM    212  CG  LYS A  13       3.709  16.844  -5.112  1.00  1.300          C  
ATOM    213  CD  LYS A  13       4.042  16.800  -3.618  1.00  1.300          C  
ATOM    214  CE  LYS A  13       2.782  16.848  -2.759  1.00  1.300          C  
ATOM    215  NZ  LYS A  13       3.099  16.775  -1.301  1.00  1.300          N  
ATOM    216  H   LYS A  13       4.072  14.733  -7.214  1.00  1.040          H  
ATOM    217  HA  LYS A  13       4.043  17.588  -7.720  1.00  1.140          H  
ATOM    218 1HB  LYS A  13       5.486  15.861  -5.687  1.00  1.560          H  
ATOM    219 2HB  LYS A  13       5.617  17.612  -5.688  1.00  1.560          H  
ATOM    220 1HG  LYS A  13       3.165  17.761  -5.339  1.00  1.560          H  
ATOM    221 2HG  LYS A  13       3.071  15.993  -5.362  1.00  1.560          H  
ATOM    222 1HD  LYS A  13       4.579  15.872  -3.401  1.00  1.560          H  
ATOM    223 2HD  LYS A  13       4.682  17.641  -3.359  1.00  1.560          H  
ATOM    224 1HE  LYS A  13       2.249  17.776  -2.958  1.00  1.560          H  
ATOM    225 2HE  LYS A  13       2.139  16.006  -3.022  1.00  1.560          H  
ATOM    226 1HZ  LYS A  13       2.242  16.809  -0.766  1.00  1.560          H  
ATOM    227 2HZ  LYS A  13       3.583  15.911  -1.104  1.00  1.560          H  
ATOM    228 3HZ  LYS A  13       3.686  17.556  -1.041  1.00  1.560          H  
ATOM    229  N   PHE A  14       6.887  16.016  -8.315  1.00  0.910          N  
ATOM    230  CA  PHE A  14       8.218  16.075  -8.894  1.00  1.030          C  
ATOM    231  C   PHE A  14       8.235  16.178 -10.418  1.00  1.080          C  
ATOM    232  O   PHE A  14       9.096  16.850 -10.985  1.00  1.210          O  
ATOM    233  CB  PHE A  14       9.048  14.859  -8.449  1.00  1.390          C  
ATOM    234  CG  PHE A  14       9.575  14.891  -6.982  1.00  1.390          C  
ATOM    235  CD1 PHE A  14       8.766  15.154  -5.875  1.00  1.390          C  
ATOM    236  CD2 PHE A  14      10.900  14.626  -6.732  1.00  1.390          C  
ATOM    237  CE1 PHE A  14       9.280  15.148  -4.605  1.00  1.390          C  
ATOM    238  CE2 PHE A  14      11.415  14.618  -5.469  1.00  1.390          C  
ATOM    239  CZ  PHE A  14      10.602  14.878  -4.398  1.00  1.390          C  
ATOM    240  H   PHE A  14       6.578  15.121  -7.951  1.00  1.090          H  
ATOM    241  HA  PHE A  14       8.701  16.962  -8.491  1.00  1.240          H  
ATOM    242 1HB  PHE A  14       8.445  13.962  -8.570  1.00  1.670          H  
ATOM    243 2HB  PHE A  14       9.905  14.751  -9.111  1.00  1.670          H  
ATOM    244  HD1 PHE A  14       7.723  15.362  -5.999  1.00  1.670          H  
ATOM    245  HD2 PHE A  14      11.548  14.417  -7.557  1.00  1.670          H  
ATOM    246  HE1 PHE A  14       8.628  15.355  -3.756  1.00  1.670          H  
ATOM    247  HE2 PHE A  14      12.477  14.402  -5.321  1.00  1.670          H  
ATOM    248  HZ  PHE A  14      11.008  14.874  -3.389  1.00  1.670          H  
ATOM    249  N   LYS A  15       7.279  15.566 -11.121  1.00  1.040          N  
ATOM    250  CA  LYS A  15       7.344  15.574 -12.586  1.00  1.120          C  
ATOM    251  C   LYS A  15       7.367  16.994 -13.186  1.00  0.940          C  
ATOM    252  O   LYS A  15       7.927  17.192 -14.260  1.00  1.110          O  
ATOM    253  CB  LYS A  15       6.153  14.807 -13.195  1.00  1.540          C  
ATOM    254  CG  LYS A  15       4.815  15.545 -13.081  1.00  1.540          C  
ATOM    255  CD  LYS A  15       3.597  14.746 -13.556  1.00  1.540          C  
ATOM    256  CE  LYS A  15       2.357  15.670 -13.553  1.00  1.540          C  
ATOM    257  NZ  LYS A  15       1.066  14.963 -13.901  1.00  1.540          N  
ATOM    258  H   LYS A  15       6.562  15.003 -10.653  1.00  1.250          H  
ATOM    259  HA  LYS A  15       8.268  15.080 -12.885  1.00  1.340          H  
ATOM    260 1HB  LYS A  15       6.345  14.615 -14.248  1.00  1.840          H  
ATOM    261 2HB  LYS A  15       6.051  13.842 -12.696  1.00  1.840          H  
ATOM    262 1HG  LYS A  15       4.660  15.853 -12.052  1.00  1.840          H  
ATOM    263 2HG  LYS A  15       4.860  16.425 -13.705  1.00  1.840          H  
ATOM    264 1HD  LYS A  15       3.767  14.366 -14.560  1.00  1.840          H  
ATOM    265 2HD  LYS A  15       3.418  13.903 -12.884  1.00  1.840          H  
ATOM    266 1HE  LYS A  15       2.254  16.133 -12.568  1.00  1.840          H  
ATOM    267 2HE  LYS A  15       2.529  16.454 -14.292  1.00  1.840          H  
ATOM    268 1HZ  LYS A  15       0.319  15.638 -13.895  1.00  1.840          H  
ATOM    269 2HZ  LYS A  15       1.127  14.535 -14.809  1.00  1.840          H  
ATOM    270 3HZ  LYS A  15       0.849  14.245 -13.189  1.00  1.840          H  
ATOM    271  N   GLU A  16       6.769  17.992 -12.511  1.00  1.010          N  
ATOM    272  CA  GLU A  16       6.777  19.359 -13.032  1.00  1.210          C  
ATOM    273  C   GLU A  16       7.928  20.201 -12.471  1.00  1.110          C  
ATOM    274  O   GLU A  16       8.081  21.367 -12.830  1.00  1.320          O  
ATOM    275  CB  GLU A  16       5.455  20.077 -12.724  1.00  1.610          C  
ATOM    276  CG  GLU A  16       4.222  19.494 -13.408  1.00  1.610          C  
ATOM    277  CD  GLU A  16       2.950  20.243 -13.086  1.00  1.610          C  
ATOM    278  OE1 GLU A  16       2.992  21.124 -12.261  1.00  1.610          O  
ATOM    279  OE2 GLU A  16       1.940  19.942 -13.681  1.00  1.610          O  
ATOM    280  H   GLU A  16       6.281  17.802 -11.639  1.00  1.210          H  
ATOM    281  HA  GLU A  16       6.896  19.311 -14.114  1.00  1.450          H  
ATOM    282 1HB  GLU A  16       5.280  20.051 -11.646  1.00  1.940          H  
ATOM    283 2HB  GLU A  16       5.534  21.123 -13.016  1.00  1.940          H  
ATOM    284 1HG  GLU A  16       4.376  19.485 -14.487  1.00  1.940          H  
ATOM    285 2HG  GLU A  16       4.105  18.474 -13.076  1.00  1.940          H  
ATOM    286  N   ALA A  17       8.678  19.640 -11.528  1.00  0.990          N  
ATOM    287  CA  ALA A  17       9.747  20.357 -10.846  1.00  1.060          C  
ATOM    288  C   ALA A  17      11.133  19.920 -11.306  1.00  0.900          C  
ATOM    289  O   ALA A  17      12.054  20.736 -11.395  1.00  1.040          O  
ATOM    290  CB  ALA A  17       9.615  20.149  -9.348  1.00  1.460          C  
ATOM    291  H   ALA A  17       8.535  18.658 -11.312  1.00  1.190          H  
ATOM    292  HA  ALA A  17       9.642  21.417 -11.070  1.00  1.270          H  
ATOM    293 1HB  ALA A  17      10.394  20.705  -8.832  1.00  1.750          H  
ATOM    294 2HB  ALA A  17       8.635  20.495  -9.020  1.00  1.750          H  
ATOM    295 3HB  ALA A  17       9.712  19.101  -9.127  1.00  1.750          H  
ATOM    296  N   PHE A  18      11.284  18.634 -11.586  1.00  0.700          N  
ATOM    297  CA  PHE A  18      12.582  18.076 -11.906  1.00  0.660          C  
ATOM    298  C   PHE A  18      12.645  17.487 -13.326  1.00  0.610          C  
ATOM    299  O   PHE A  18      11.619  17.082 -13.869  1.00  0.550          O  
ATOM    300  CB  PHE A  18      12.905  16.973 -10.915  1.00  0.940          C  
ATOM    301  CG  PHE A  18      12.991  17.406  -9.500  1.00  0.940          C  
ATOM    302  CD1 PHE A  18      11.877  17.362  -8.710  1.00  0.940          C  
ATOM    303  CD2 PHE A  18      14.176  17.839  -8.949  1.00  0.940          C  
ATOM    304  CE1 PHE A  18      11.916  17.741  -7.396  1.00  0.940          C  
ATOM    305  CE2 PHE A  18      14.229  18.218  -7.627  1.00  0.940          C  
ATOM    306  CZ  PHE A  18      13.091  18.167  -6.850  1.00  0.940          C  
ATOM    307  H   PHE A  18      10.482  18.009 -11.503  1.00  0.840          H  
ATOM    308  HA  PHE A  18      13.300  18.871 -11.775  1.00  0.790          H  
ATOM    309 1HB  PHE A  18      12.152  16.185 -10.988  1.00  1.130          H  
ATOM    310 2HB  PHE A  18      13.844  16.556 -11.175  1.00  1.130          H  
ATOM    311  HD1 PHE A  18      10.955  17.018  -9.147  1.00  1.130          H  
ATOM    312  HD2 PHE A  18      15.076  17.873  -9.563  1.00  1.130          H  
ATOM    313  HE1 PHE A  18      11.014  17.695  -6.782  1.00  1.130          H  
ATOM    314  HE2 PHE A  18      15.169  18.556  -7.192  1.00  1.130          H  
ATOM    315  HZ  PHE A  18      13.128  18.464  -5.805  1.00  1.130          H  
ATOM    316  N   PRO A  19      13.836  17.425 -13.957  1.00  0.750          N  
ATOM    317  CA  PRO A  19      14.098  16.768 -15.233  1.00  0.840          C  
ATOM    318  C   PRO A  19      13.759  15.283 -15.166  1.00  0.780          C  
ATOM    319  O   PRO A  19      13.920  14.660 -14.112  1.00  0.710          O  
ATOM    320  CB  PRO A  19      15.609  16.971 -15.422  1.00  1.260          C  
ATOM    321  CG  PRO A  19      15.945  18.196 -14.609  1.00  1.260          C  
ATOM    322  CD  PRO A  19      15.019  18.149 -13.413  1.00  1.260          C  
ATOM    323  HA  PRO A  19      13.521  17.267 -16.025  1.00  1.010          H  
ATOM    324 1HB  PRO A  19      16.155  16.079 -15.088  1.00  1.510          H  
ATOM    325 2HB  PRO A  19      15.837  17.099 -16.493  1.00  1.510          H  
ATOM    326 1HG  PRO A  19      17.010  18.178 -14.322  1.00  1.510          H  
ATOM    327 2HG  PRO A  19      15.802  19.101 -15.220  1.00  1.510          H  
ATOM    328 1HD  PRO A  19      15.477  17.602 -12.575  1.00  1.510          H  
ATOM    329 2HD  PRO A  19      14.793  19.195 -13.173  1.00  1.510          H  
ATOM    330  N   ALA A  20      13.376  14.709 -16.312  1.00  0.880          N  
ATOM    331  CA  ALA A  20      13.008  13.291 -16.430  1.00  0.920          C  
ATOM    332  C   ALA A  20      14.020  12.341 -15.796  1.00  0.940          C  
ATOM    333  O   ALA A  20      13.624  11.305 -15.261  1.00  0.900          O  
ATOM    334  CB  ALA A  20      12.837  12.916 -17.884  1.00  1.270          C  
ATOM    335  H   ALA A  20      13.288  15.292 -17.135  1.00  1.060          H  
ATOM    336  HA  ALA A  20      12.055  13.157 -15.920  1.00  1.100          H  
ATOM    337 1HB  ALA A  20      12.519  11.878 -17.951  1.00  1.530          H  
ATOM    338 2HB  ALA A  20      12.083  13.557 -18.339  1.00  1.530          H  
ATOM    339 3HB  ALA A  20      13.784  13.041 -18.405  1.00  1.530          H  
ATOM    340  N   SER A  21      15.317  12.651 -15.878  1.00  1.070          N  
ATOM    341  CA  SER A  21      16.328  11.770 -15.305  1.00  1.190          C  
ATOM    342  C   SER A  21      16.111  11.606 -13.803  1.00  1.050          C  
ATOM    343  O   SER A  21      16.354  10.532 -13.242  1.00  1.070          O  
ATOM    344  CB  SER A  21      17.717  12.336 -15.551  1.00  1.620          C  
ATOM    345  OG  SER A  21      18.035  12.352 -16.921  1.00  1.620          O  
ATOM    346  H   SER A  21      15.622  13.490 -16.352  1.00  1.280          H  
ATOM    347  HA  SER A  21      16.246  10.792 -15.772  1.00  1.430          H  
ATOM    348 1HB  SER A  21      17.768  13.349 -15.151  1.00  1.940          H  
ATOM    349 2HB  SER A  21      18.449  11.737 -15.011  1.00  1.940          H  
ATOM    350  HG  SER A  21      18.931  12.704 -16.979  1.00  1.940          H  
ATOM    351  N   HIS A  22      15.696  12.694 -13.144  1.00  0.970          N  
ATOM    352  CA  HIS A  22      15.464  12.715 -11.716  1.00  0.960          C  
ATOM    353  C   HIS A  22      14.269  11.848 -11.409  1.00  0.790          C  
ATOM    354  O   HIS A  22      14.287  11.066 -10.459  1.00  0.830          O  
ATOM    355  CB  HIS A  22      15.180  14.118 -11.217  1.00  1.350          C  
ATOM    356  CG  HIS A  22      15.048  14.202  -9.742  1.00  1.350          C  
ATOM    357  ND1 HIS A  22      16.133  14.279  -8.894  1.00  1.350          N  
ATOM    358  CD2 HIS A  22      13.960  14.171  -8.960  1.00  1.350          C  
ATOM    359  CE1 HIS A  22      15.702  14.320  -7.645  1.00  1.350          C  
ATOM    360  NE2 HIS A  22      14.390  14.248  -7.658  1.00  1.350          N  
ATOM    361  H   HIS A  22      15.474  13.545 -13.658  1.00  1.160          H  
ATOM    362  HA  HIS A  22      16.326  12.317 -11.183  1.00  1.150          H  
ATOM    363 1HB  HIS A  22      15.961  14.799 -11.548  1.00  1.620          H  
ATOM    364 2HB  HIS A  22      14.250  14.444 -11.655  1.00  1.620          H  
ATOM    365  HD1 HIS A  22      17.066  14.526  -9.160  1.00  1.620          H  
ATOM    366  HD2 HIS A  22      12.907  14.095  -9.205  1.00  1.620          H  
ATOM    367  HE1 HIS A  22      16.406  14.390  -6.818  1.00  1.620          H  
ATOM    368  N   LEU A  23      13.200  12.053 -12.184  1.00  0.670          N  
ATOM    369  CA  LEU A  23      11.954  11.327 -11.983  1.00  0.610          C  
ATOM    370  C   LEU A  23      12.206   9.816 -12.126  1.00  0.560          C  
ATOM    371  O   LEU A  23      11.661   9.012 -11.359  1.00  0.590          O  
ATOM    372  CB  LEU A  23      10.899  11.831 -12.991  1.00  0.880          C  
ATOM    373  CG  LEU A  23       9.438  11.252 -12.921  1.00  0.880          C  
ATOM    374  CD1 LEU A  23       8.789  11.559 -11.548  1.00  0.880          C  
ATOM    375  CD2 LEU A  23       8.617  11.888 -14.052  1.00  0.880          C  
ATOM    376  H   LEU A  23      13.284  12.758 -12.926  1.00  0.800          H  
ATOM    377  HA  LEU A  23      11.607  11.528 -10.974  1.00  0.730          H  
ATOM    378 1HB  LEU A  23      10.831  12.916 -12.893  1.00  1.050          H  
ATOM    379 2HB  LEU A  23      11.276  11.614 -13.990  1.00  1.050          H  
ATOM    380  HG  LEU A  23       9.463  10.167 -13.049  1.00  1.050          H  
ATOM    381 1HD1 LEU A  23       7.777  11.151 -11.525  1.00  1.050          H  
ATOM    382 2HD1 LEU A  23       9.370  11.092 -10.775  1.00  1.050          H  
ATOM    383 3HD1 LEU A  23       8.745  12.636 -11.379  1.00  1.050          H  
ATOM    384 1HD2 LEU A  23       7.597  11.496 -14.028  1.00  1.050          H  
ATOM    385 2HD2 LEU A  23       8.591  12.965 -13.924  1.00  1.050          H  
ATOM    386 3HD2 LEU A  23       9.076  11.648 -15.012  1.00  1.050          H  
ATOM    387  N   ARG A  24      13.031   9.424 -13.107  1.00  0.620          N  
ATOM    388  CA  ARG A  24      13.369   8.015 -13.267  1.00  0.720          C  
ATOM    389  C   ARG A  24      14.147   7.491 -12.044  1.00  0.700          C  
ATOM    390  O   ARG A  24      13.862   6.401 -11.536  1.00  0.710          O  
ATOM    391  CB  ARG A  24      14.158   7.779 -14.545  1.00  0.970          C  
ATOM    392  CG  ARG A  24      13.333   7.898 -15.842  1.00  0.970          C  
ATOM    393  CD  ARG A  24      14.064   7.358 -17.033  1.00  0.970          C  
ATOM    394  NE  ARG A  24      15.255   8.145 -17.391  1.00  0.970          N  
ATOM    395  CZ  ARG A  24      15.284   9.207 -18.241  1.00  0.970          C  
ATOM    396  NH1 ARG A  24      14.190   9.632 -18.842  1.00  0.970          N  
ATOM    397  NH2 ARG A  24      16.436   9.816 -18.478  1.00  0.970          N  
ATOM    398  H   ARG A  24      13.411  10.122 -13.754  1.00  0.740          H  
ATOM    399  HA  ARG A  24      12.440   7.458 -13.352  1.00  0.860          H  
ATOM    400 1HB  ARG A  24      14.963   8.512 -14.605  1.00  1.160          H  
ATOM    401 2HB  ARG A  24      14.613   6.791 -14.517  1.00  1.160          H  
ATOM    402 1HG  ARG A  24      12.405   7.338 -15.728  1.00  1.160          H  
ATOM    403 2HG  ARG A  24      13.100   8.944 -16.025  1.00  1.160          H  
ATOM    404 1HD  ARG A  24      14.391   6.342 -16.809  1.00  1.160          H  
ATOM    405 2HD  ARG A  24      13.394   7.327 -17.887  1.00  1.160          H  
ATOM    406  HE  ARG A  24      16.133   7.868 -16.973  1.00  1.160          H  
ATOM    407 1HH1 ARG A  24      13.306   9.177 -18.676  1.00  1.160          H  
ATOM    408 2HH1 ARG A  24      14.244  10.405 -19.492  1.00  1.160          H  
ATOM    409 1HH2 ARG A  24      17.282   9.495 -18.026  1.00  1.160          H  
ATOM    410 2HH2 ARG A  24      16.476  10.605 -19.108  1.00  1.160          H  
ATOM    411  N   LYS A  25      15.110   8.265 -11.535  1.00  0.760          N  
ATOM    412  CA  LYS A  25      15.833   7.831 -10.343  1.00  0.860          C  
ATOM    413  C   LYS A  25      14.897   7.729  -9.130  1.00  0.800          C  
ATOM    414  O   LYS A  25      15.036   6.814  -8.310  1.00  0.860          O  
ATOM    415  CB  LYS A  25      17.011   8.758 -10.050  1.00  1.160          C  
ATOM    416  CG  LYS A  25      18.167   8.635 -11.047  1.00  1.160          C  
ATOM    417  CD  LYS A  25      19.299   9.615 -10.727  1.00  1.160          C  
ATOM    418  CE  LYS A  25      20.442   9.500 -11.736  1.00  1.160          C  
ATOM    419  NZ  LYS A  25      21.539  10.475 -11.454  1.00  1.160          N  
ATOM    420  H   LYS A  25      15.374   9.140 -12.006  1.00  0.910          H  
ATOM    421  HA  LYS A  25      16.231   6.835 -10.533  1.00  1.030          H  
ATOM    422 1HB  LYS A  25      16.664   9.794 -10.065  1.00  1.400          H  
ATOM    423 2HB  LYS A  25      17.399   8.551  -9.059  1.00  1.400          H  
ATOM    424 1HG  LYS A  25      18.556   7.617 -11.020  1.00  1.400          H  
ATOM    425 2HG  LYS A  25      17.799   8.830 -12.052  1.00  1.400          H  
ATOM    426 1HD  LYS A  25      18.906  10.634 -10.757  1.00  1.400          H  
ATOM    427 2HD  LYS A  25      19.684   9.420  -9.727  1.00  1.400          H  
ATOM    428 1HE  LYS A  25      20.849   8.492 -11.699  1.00  1.400          H  
ATOM    429 2HE  LYS A  25      20.051   9.690 -12.736  1.00  1.400          H  
ATOM    430 1HZ  LYS A  25      22.271  10.368 -12.143  1.00  1.400          H  
ATOM    431 2HZ  LYS A  25      21.173  11.417 -11.498  1.00  1.400          H  
ATOM    432 3HZ  LYS A  25      21.918  10.305 -10.534  1.00  1.400          H  
ATOM    433  N   LEU A  26      13.934   8.661  -9.028  1.00  0.770          N  
ATOM    434  CA  LEU A  26      12.967   8.697  -7.936  1.00  0.880          C  
ATOM    435  C   LEU A  26      12.171   7.402  -7.910  1.00  0.810          C  
ATOM    436  O   LEU A  26      12.038   6.773  -6.856  1.00  0.990          O  
ATOM    437  CB  LEU A  26      11.993   9.882  -8.144  1.00  1.190          C  
ATOM    438  CG  LEU A  26      10.854  10.156  -7.101  1.00  1.190          C  
ATOM    439  CD1 LEU A  26      11.455  10.538  -5.759  1.00  1.190          C  
ATOM    440  CD2 LEU A  26       9.954  11.270  -7.658  1.00  1.190          C  
ATOM    441  H   LEU A  26      13.917   9.413  -9.722  1.00  0.920          H  
ATOM    442  HA  LEU A  26      13.505   8.799  -7.000  1.00  1.060          H  
ATOM    443 1HB  LEU A  26      12.589  10.791  -8.236  1.00  1.430          H  
ATOM    444 2HB  LEU A  26      11.495   9.729  -9.084  1.00  1.430          H  
ATOM    445  HG  LEU A  26      10.259   9.259  -6.949  1.00  1.430          H  
ATOM    446 1HD1 LEU A  26      10.659  10.731  -5.043  1.00  1.430          H  
ATOM    447 2HD1 LEU A  26      12.076   9.728  -5.390  1.00  1.430          H  
ATOM    448 3HD1 LEU A  26      12.058  11.437  -5.876  1.00  1.430          H  
ATOM    449 1HD2 LEU A  26       9.158  11.507  -6.973  1.00  1.430          H  
ATOM    450 2HD2 LEU A  26      10.552  12.149  -7.821  1.00  1.430          H  
ATOM    451 3HD2 LEU A  26       9.533  10.946  -8.591  1.00  1.430          H  
ATOM    452  N   ARG A  27      11.665   6.966  -9.073  1.00  0.690          N  
ATOM    453  CA  ARG A  27      10.880   5.742  -9.061  1.00  0.780          C  
ATOM    454  C   ARG A  27      11.749   4.541  -8.746  1.00  0.760          C  
ATOM    455  O   ARG A  27      11.336   3.659  -8.001  1.00  0.890          O  
ATOM    456  CB  ARG A  27      10.142   5.519 -10.383  1.00  1.060          C  
ATOM    457  CG  ARG A  27      10.947   5.172 -11.575  1.00  1.060          C  
ATOM    458  CD  ARG A  27      10.128   5.070 -12.783  1.00  1.060          C  
ATOM    459  NE  ARG A  27      10.943   4.694 -13.933  1.00  1.060          N  
ATOM    460  CZ  ARG A  27      10.507   4.612 -15.206  1.00  1.060          C  
ATOM    461  NH1 ARG A  27       9.250   4.880 -15.502  1.00  1.060          N  
ATOM    462  NH2 ARG A  27      11.351   4.259 -16.164  1.00  1.060          N  
ATOM    463  H   ARG A  27      11.778   7.533  -9.922  1.00  0.830          H  
ATOM    464  HA  ARG A  27      10.138   5.818  -8.275  1.00  0.940          H  
ATOM    465 1HB  ARG A  27       9.360   4.806 -10.261  1.00  1.270          H  
ATOM    466 2HB  ARG A  27       9.693   6.448 -10.670  1.00  1.270          H  
ATOM    467 1HG  ARG A  27      11.614   5.965 -11.742  1.00  1.270          H  
ATOM    468 2HG  ARG A  27      11.487   4.238 -11.445  1.00  1.270          H  
ATOM    469 1HD  ARG A  27       9.357   4.315 -12.639  1.00  1.270          H  
ATOM    470 2HD  ARG A  27       9.670   6.041 -12.984  1.00  1.270          H  
ATOM    471  HE  ARG A  27      11.916   4.479 -13.757  1.00  1.270          H  
ATOM    472 1HH1 ARG A  27       8.602   5.148 -14.776  1.00  1.270          H  
ATOM    473 2HH1 ARG A  27       8.930   4.817 -16.458  1.00  1.270          H  
ATOM    474 1HH2 ARG A  27      12.313   4.049 -15.938  1.00  1.270          H  
ATOM    475 2HH2 ARG A  27      11.033   4.191 -17.121  1.00  1.270          H  
ATOM    476  N   LYS A  28      12.997   4.511  -9.200  1.00  0.690          N  
ATOM    477  CA  LYS A  28      13.796   3.347  -8.847  1.00  0.770          C  
ATOM    478  C   LYS A  28      14.002   3.260  -7.329  1.00  0.780          C  
ATOM    479  O   LYS A  28      13.785   2.207  -6.717  1.00  0.860          O  
ATOM    480  CB  LYS A  28      15.153   3.387  -9.553  1.00  1.050          C  
ATOM    481  CG  LYS A  28      15.096   3.142 -11.058  1.00  1.050          C  
ATOM    482  CD  LYS A  28      16.486   3.236 -11.688  1.00  1.050          C  
ATOM    483  CE  LYS A  28      16.435   3.011 -13.192  1.00  1.050          C  
ATOM    484  NZ  LYS A  28      17.785   3.135 -13.817  1.00  1.050          N  
ATOM    485  H   LYS A  28      13.352   5.238  -9.835  1.00  0.830          H  
ATOM    486  HA  LYS A  28      13.262   2.452  -9.167  1.00  0.920          H  
ATOM    487 1HB  LYS A  28      15.608   4.368  -9.394  1.00  1.260          H  
ATOM    488 2HB  LYS A  28      15.814   2.643  -9.111  1.00  1.260          H  
ATOM    489 1HG  LYS A  28      14.681   2.152 -11.243  1.00  1.260          H  
ATOM    490 2HG  LYS A  28      14.442   3.882 -11.515  1.00  1.260          H  
ATOM    491 1HD  LYS A  28      16.898   4.228 -11.495  1.00  1.260          H  
ATOM    492 2HD  LYS A  28      17.143   2.493 -11.238  1.00  1.260          H  
ATOM    493 1HE  LYS A  28      16.044   2.015 -13.392  1.00  1.260          H  
ATOM    494 2HE  LYS A  28      15.767   3.750 -13.640  1.00  1.260          H  
ATOM    495 1HZ  LYS A  28      17.712   2.982 -14.814  1.00  1.260          H  
ATOM    496 2HZ  LYS A  28      18.152   4.062 -13.647  1.00  1.260          H  
ATOM    497 3HZ  LYS A  28      18.409   2.449 -13.417  1.00  1.260          H  
ATOM    498  N   ARG A  29      14.351   4.391  -6.703  1.00  0.790          N  
ATOM    499  CA  ARG A  29      14.612   4.414  -5.264  1.00  0.960          C  
ATOM    500  C   ARG A  29      13.398   4.048  -4.429  1.00  1.070          C  
ATOM    501  O   ARG A  29      13.522   3.454  -3.358  1.00  1.290          O  
ATOM    502  CB  ARG A  29      15.061   5.783  -4.777  1.00  1.280          C  
ATOM    503  CG  ARG A  29      16.426   6.233  -5.202  1.00  1.280          C  
ATOM    504  CD  ARG A  29      16.890   7.399  -4.389  1.00  1.280          C  
ATOM    505  NE  ARG A  29      15.964   8.546  -4.427  1.00  1.280          N  
ATOM    506  CZ  ARG A  29      15.922   9.515  -5.364  1.00  1.280          C  
ATOM    507  NH1 ARG A  29      16.728   9.490  -6.395  1.00  1.280          N  
ATOM    508  NH2 ARG A  29      15.054  10.506  -5.229  1.00  1.280          N  
ATOM    509  H   ARG A  29      14.481   5.245  -7.256  1.00  0.950          H  
ATOM    510  HA  ARG A  29      15.402   3.697  -5.054  1.00  1.150          H  
ATOM    511 1HB  ARG A  29      14.356   6.527  -5.154  1.00  1.530          H  
ATOM    512 2HB  ARG A  29      15.018   5.812  -3.691  1.00  1.530          H  
ATOM    513 1HG  ARG A  29      17.131   5.414  -5.064  1.00  1.530          H  
ATOM    514 2HG  ARG A  29      16.408   6.519  -6.247  1.00  1.530          H  
ATOM    515 1HD  ARG A  29      16.985   7.081  -3.350  1.00  1.530          H  
ATOM    516 2HD  ARG A  29      17.865   7.727  -4.745  1.00  1.530          H  
ATOM    517  HE  ARG A  29      15.325   8.636  -3.648  1.00  1.530          H  
ATOM    518 1HH1 ARG A  29      17.393   8.738  -6.504  1.00  1.530          H  
ATOM    519 2HH1 ARG A  29      16.679  10.227  -7.083  1.00  1.530          H  
ATOM    520 1HH2 ARG A  29      14.444  10.531  -4.423  1.00  1.530          H  
ATOM    521 2HH2 ARG A  29      15.010  11.246  -5.922  1.00  1.530          H  
ATOM    522  N   LEU A  30      12.221   4.469  -4.872  1.00  1.050          N  
ATOM    523  CA  LEU A  30      11.013   4.260  -4.098  1.00  1.290          C  
ATOM    524  C   LEU A  30      10.226   3.004  -4.451  1.00  1.270          C  
ATOM    525  O   LEU A  30       9.698   2.347  -3.559  1.00  1.490          O  
ATOM    526  CB  LEU A  30      10.111   5.473  -4.297  1.00  1.710          C  
ATOM    527  CG  LEU A  30      10.357   6.710  -3.393  1.00  1.710          C  
ATOM    528  CD1 LEU A  30      11.808   7.202  -3.463  1.00  1.710          C  
ATOM    529  CD2 LEU A  30       9.464   7.788  -3.880  1.00  1.710          C  
ATOM    530  H   LEU A  30      12.182   5.014  -5.741  1.00  1.260          H  
ATOM    531  HA  LEU A  30      11.296   4.190  -3.050  1.00  1.550          H  
ATOM    532 1HB  LEU A  30      10.195   5.793  -5.338  1.00  2.050          H  
ATOM    533 2HB  LEU A  30       9.087   5.148  -4.128  1.00  2.050          H  
ATOM    534  HG  LEU A  30      10.128   6.463  -2.360  1.00  2.050          H  
ATOM    535 1HD1 LEU A  30      11.916   8.082  -2.834  1.00  2.050          H  
ATOM    536 2HD1 LEU A  30      12.480   6.436  -3.104  1.00  2.050          H  
ATOM    537 3HD1 LEU A  30      12.060   7.460  -4.487  1.00  2.050          H  
ATOM    538 1HD2 LEU A  30       9.602   8.669  -3.276  1.00  2.050          H  
ATOM    539 2HD2 LEU A  30       9.708   8.023  -4.908  1.00  2.050          H  
ATOM    540 3HD2 LEU A  30       8.445   7.456  -3.808  1.00  2.050          H  
ATOM    541  N   LEU A  31      10.147   2.638  -5.727  1.00  1.090          N  
ATOM    542  CA  LEU A  31       9.335   1.494  -6.091  1.00  1.210          C  
ATOM    543  C   LEU A  31      10.071   0.177  -5.970  1.00  1.140          C  
ATOM    544  O   LEU A  31       9.433  -0.865  -5.866  1.00  1.110          O  
ATOM    545  CB  LEU A  31       8.773   1.630  -7.509  1.00  1.650          C  
ATOM    546  CG  LEU A  31       7.799   2.808  -7.776  1.00  1.650          C  
ATOM    547  CD1 LEU A  31       7.442   2.801  -9.256  1.00  1.650          C  
ATOM    548  CD2 LEU A  31       6.533   2.669  -6.899  1.00  1.650          C  
ATOM    549  H   LEU A  31      10.617   3.158  -6.460  1.00  1.310          H  
ATOM    550  HA  LEU A  31       8.505   1.447  -5.398  1.00  1.450          H  
ATOM    551 1HB  LEU A  31       9.614   1.736  -8.195  1.00  1.980          H  
ATOM    552 2HB  LEU A  31       8.250   0.706  -7.755  1.00  1.980          H  
ATOM    553  HG  LEU A  31       8.299   3.756  -7.556  1.00  1.980          H  
ATOM    554 1HD1 LEU A  31       6.776   3.630  -9.479  1.00  1.980          H  
ATOM    555 2HD1 LEU A  31       8.345   2.894  -9.847  1.00  1.980          H  
ATOM    556 3HD1 LEU A  31       6.948   1.864  -9.507  1.00  1.980          H  
ATOM    557 1HD2 LEU A  31       5.853   3.479  -7.117  1.00  1.980          H  
ATOM    558 2HD2 LEU A  31       6.034   1.724  -7.119  1.00  1.980          H  
ATOM    559 3HD2 LEU A  31       6.791   2.705  -5.845  1.00  1.980          H  
ATOM    560  N   ARG A  32      11.402   0.177  -5.873  1.00  1.190          N  
ATOM    561  CA  ARG A  32      12.105  -1.096  -5.736  1.00  1.220          C  
ATOM    562  C   ARG A  32      11.661  -1.835  -4.466  1.00  1.100          C  
ATOM    563  O   ARG A  32      11.762  -3.058  -4.387  1.00  1.160          O  
ATOM    564  CB  ARG A  32      13.608  -0.861  -5.654  1.00  1.700          C  
ATOM    565  CG  ARG A  32      14.036  -0.166  -4.363  1.00  1.700          C  
ATOM    566  CD  ARG A  32      15.423   0.253  -4.324  1.00  1.700          C  
ATOM    567  NE  ARG A  32      15.706   0.896  -3.036  1.00  1.700          N  
ATOM    568  CZ  ARG A  32      16.852   1.518  -2.698  1.00  1.700          C  
ATOM    569  NH1 ARG A  32      17.857   1.603  -3.555  1.00  1.700          N  
ATOM    570  NH2 ARG A  32      16.958   2.050  -1.493  1.00  1.700          N  
ATOM    571  H   ARG A  32      11.968   1.027  -5.980  1.00  1.430          H  
ATOM    572  HA  ARG A  32      11.881  -1.714  -6.606  1.00  1.460          H  
ATOM    573 1HB  ARG A  32      14.126  -1.815  -5.703  1.00  2.040          H  
ATOM    574 2HB  ARG A  32      13.938  -0.262  -6.498  1.00  2.040          H  
ATOM    575 1HG  ARG A  32      13.415   0.714  -4.173  1.00  2.040          H  
ATOM    576 2HG  ARG A  32      13.934  -0.867  -3.548  1.00  2.040          H  
ATOM    577 1HD  ARG A  32      16.073  -0.611  -4.436  1.00  2.040          H  
ATOM    578 2HD  ARG A  32      15.604   0.974  -5.122  1.00  2.040          H  
ATOM    579  HE  ARG A  32      14.950   0.855  -2.312  1.00  2.040          H  
ATOM    580 1HH1 ARG A  32      17.773   1.199  -4.476  1.00  2.040          H  
ATOM    581 2HH1 ARG A  32      18.711   2.072  -3.288  1.00  2.040          H  
ATOM    582 1HH2 ARG A  32      16.176   1.978  -0.843  1.00  2.040          H  
ATOM    583 2HH2 ARG A  32      17.801   2.522  -1.216  1.00  2.040          H  
ATOM    584  N   ASP A  33      11.192  -1.075  -3.467  1.00  1.070          N  
ATOM    585  CA  ASP A  33      10.766  -1.599  -2.180  1.00  1.110          C  
ATOM    586  C   ASP A  33       9.237  -1.746  -2.075  1.00  1.020          C  
ATOM    587  O   ASP A  33       8.708  -2.055  -1.003  1.00  1.040          O  
ATOM    588  CB  ASP A  33      11.283  -0.655  -1.092  1.00  1.540          C  
ATOM    589  CG  ASP A  33      12.827  -0.611  -1.036  1.00  1.540          C  
ATOM    590  OD1 ASP A  33      13.439  -1.648  -1.126  1.00  1.540          O  
ATOM    591  OD2 ASP A  33      13.388   0.465  -0.941  1.00  1.540          O  
ATOM    592  H   ASP A  33      11.142  -0.072  -3.617  1.00  1.280          H  
ATOM    593  HA  ASP A  33      11.214  -2.583  -2.043  1.00  1.330          H  
ATOM    594 1HB  ASP A  33      10.918   0.349  -1.297  1.00  1.850          H  
ATOM    595 2HB  ASP A  33      10.895  -0.959  -0.122  1.00  1.850          H  
ATOM    596  N   ALA A  34       8.526  -1.518  -3.183  1.00  1.000          N  
ATOM    597  CA  ALA A  34       7.065  -1.606  -3.240  1.00  1.020          C  
ATOM    598  C   ALA A  34       6.605  -3.026  -3.525  1.00  1.060          C  
ATOM    599  O   ALA A  34       7.356  -3.834  -4.080  1.00  1.210          O  
ATOM    600  CB  ALA A  34       6.507  -0.670  -4.306  1.00  1.420          C  
ATOM    601  H   ALA A  34       9.014  -1.300  -4.054  1.00  1.200          H  
ATOM    602  HA  ALA A  34       6.663  -1.323  -2.268  1.00  1.220          H  
ATOM    603 1HB  ALA A  34       5.421  -0.751  -4.311  1.00  1.700          H  
ATOM    604 2HB  ALA A  34       6.796   0.351  -4.088  1.00  1.700          H  
ATOM    605 3HB  ALA A  34       6.894  -0.957  -5.281  1.00  1.700          H  
ATOM    606  N   ASP A  35       5.362  -3.327  -3.145  1.00  1.310          N  
ATOM    607  CA  ASP A  35       4.743  -4.607  -3.478  1.00  1.620          C  
ATOM    608  C   ASP A  35       3.815  -4.442  -4.684  1.00  1.510          C  
ATOM    609  O   ASP A  35       3.736  -5.321  -5.547  1.00  2.230          O  
ATOM    610  CB  ASP A  35       3.929  -5.166  -2.304  1.00  2.140          C  
ATOM    611  CG  ASP A  35       4.746  -5.532  -1.068  1.00  2.140          C  
ATOM    612  OD1 ASP A  35       5.657  -6.321  -1.173  1.00  2.140          O  
ATOM    613  OD2 ASP A  35       4.426  -5.032  -0.015  1.00  2.140          O  
ATOM    614  H   ASP A  35       4.802  -2.614  -2.676  1.00  1.570          H  
ATOM    615  HA  ASP A  35       5.524  -5.320  -3.738  1.00  1.940          H  
ATOM    616 1HB  ASP A  35       3.179  -4.421  -2.015  1.00  2.570          H  
ATOM    617 2HB  ASP A  35       3.388  -6.050  -2.637  1.00  2.570          H  
ATOM    618  N   ASP A  36       3.105  -3.310  -4.736  1.00  1.320          N  
ATOM    619  CA  ASP A  36       2.153  -3.041  -5.807  1.00  1.910          C  
ATOM    620  C   ASP A  36       2.849  -2.431  -7.018  1.00  2.290          C  
ATOM    621  O   ASP A  36       4.048  -2.142  -6.969  1.00  2.780          O  
ATOM    622  CB  ASP A  36       1.047  -2.106  -5.295  1.00  2.440          C  
ATOM    623  CG  ASP A  36       0.081  -2.780  -4.295  1.00  2.440          C  
ATOM    624  OD1 ASP A  36      -0.021  -3.986  -4.295  1.00  2.440          O  
ATOM    625  OD2 ASP A  36      -0.567  -2.071  -3.552  1.00  2.440          O  
ATOM    626  H   ASP A  36       3.210  -2.626  -3.982  1.00  1.580          H  
ATOM    627  HA  ASP A  36       1.701  -3.984  -6.113  1.00  2.290          H  
ATOM    628 1HB  ASP A  36       1.519  -1.263  -4.784  1.00  2.930          H  
ATOM    629 2HB  ASP A  36       0.478  -1.700  -6.128  1.00  2.930          H  
ATOM    630  N   LEU A  37       2.079  -2.170  -8.075  1.00  2.620          N  
ATOM    631  CA  LEU A  37       2.624  -1.608  -9.303  1.00  3.140          C  
ATOM    632  C   LEU A  37       1.911  -0.323  -9.706  1.00  3.490          C  
ATOM    633  O   LEU A  37       2.514   0.755  -9.686  1.00  3.780          O  
ATOM    634  OXT LEU A  37       0.682  -0.314  -9.712  1.00  4.710          O  
ATOM    635  CB  LEU A  37       2.490  -2.636 -10.436  1.00  3.930          C  
ATOM    636  CG  LEU A  37       3.181  -4.024 -10.213  1.00  3.930          C  
ATOM    637  CD1 LEU A  37       2.799  -4.955 -11.355  1.00  3.930          C  
ATOM    638  CD2 LEU A  37       4.698  -3.869 -10.136  1.00  3.930          C  
ATOM    639  H   LEU A  37       1.098  -2.413  -8.040  1.00  3.140          H  
ATOM    640  HA  LEU A  37       3.672  -1.367  -9.142  1.00  3.770          H  
ATOM    641 1HB  LEU A  37       1.431  -2.817 -10.611  1.00  4.710          H  
ATOM    642 2HB  LEU A  37       2.912  -2.201 -11.341  1.00  4.710          H  
ATOM    643  HG  LEU A  37       2.820  -4.464  -9.283  1.00  4.710          H  
ATOM    644 1HD1 LEU A  37       3.260  -5.930 -11.198  1.00  4.710          H  
ATOM    645 2HD1 LEU A  37       1.715  -5.069 -11.386  1.00  4.710          H  
ATOM    646 3HD1 LEU A  37       3.146  -4.538 -12.299  1.00  4.710          H  
ATOM    647 1HD2 LEU A  37       5.152  -4.847  -9.979  1.00  4.710          H  
ATOM    648 2HD2 LEU A  37       5.072  -3.438 -11.063  1.00  4.710          H  
ATOM    649 3HD2 LEU A  37       4.963  -3.220  -9.302  1.00  4.710          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 -203.787 19.2844 172.803 -15.8089 3.03831 10.8453 85.0106 -90.469 -0.18564 -1.19989 -87.9223 -2.0694 -28.7324 0 -4.08166 -4.21221 0 -0.10444 2.27299 27.6728 32.7797 -5.31236 0.68899 -16.0259 -6.54538 17.7835 -94.2762
ASP:NtermProteinFull_1 -5.1773 0.14139 8.57024 -0.24948 0.15732 0.83104 4.61367 -3.50393 -0.0461 -0.25237 -9.15024 -0.49912 0 0 -2.04083 0 0 -0.10799 0.02063 0 2.13464 0 0 -2.3716 0 0.10688 -6.82314
TRP_2 -5.28037 0.39996 3.05256 -1.52981 0.12558 0.82121 1.68367 -1.97933 -0 -0 -1.38408 -0.16042 0 0 0 0 0 0.04799 0.66235 0 1.98917 -0.37793 0 1.6906 0.11623 0.321 0.19838
PHE_3 -7.74979 0.43344 5.19065 -0.64653 0.0437 0.29171 2.24616 -2.96811 -0 -0 -2.11695 0.02331 0 0 0 0 0 -0.02895 0.03228 0 2.65999 0.0078 0 1.0402 0.01777 0.37714 -1.14619
LYS_4 -7.93684 0.58816 10.3452 -0.81656 0.29335 0.90488 3.70603 -4.26137 -0 -0 -7.2624 -0.16841 0 0 -0.57241 -0.91596 0 -0.01901 0.12994 3.67206 0 -0.07111 0 -1.5107 -0.17365 0.38492 -3.68391
ALA_5 -4.31134 0.16044 4.93139 -0.02162 0 0 2.32899 -2.51901 -0 -0 -2.0867 -0.34971 0 0 0 0 0 0.01459 0 0 0 -0.15705 0 1.8394 -0.22155 0.28367 -0.1085
PHE_6 -7.77856 0.79296 3.8652 -0.84985 0.05032 0.26091 2.72152 -2.76308 -0.00575 -0.03371 -2.72091 -0.06738 0 0 0 0 0 0.0919 0.00098 0 2.07282 -0.39215 0 1.0402 -0.14071 0.32156 -3.53373
TYR_7 -10.7386 1.72745 4.64623 -1.11931 0.14181 0.4989 3.28753 -3.55677 -0.01317 -0.08201 -2.4817 -0.2718 0 0 0 0 0 -0.00454 0.01808 0 1.85044 -0.43457 0.08812 1.2797 0.05045 0.76527 -4.34846
ASP_8 -5.16002 0.25194 7.22272 -0.09721 0.00084 0.28573 3.30944 -3.23254 -0.0131 -0.13449 -4.48534 -0.54126 0 0 0 -0.91596 0 -0.04198 0.00463 0 1.74347 0.1503 0 -2.3716 0.05427 0.90665 -3.06351
LYS_9 -4.57258 0.27055 5.28698 -0.3068 0.03396 0.1395 2.35635 -2.45736 -0 -0 -2.05034 0.02137 0 0 0 0 0 -0.01156 0.01412 1.83004 0 0.01143 0 -1.5107 -0.06742 0.54692 -0.46555
VAL_10 -8.05817 1.32573 3.05919 -0.2718 0.1332 0.04582 3.22877 -2.84223 -0 -0 -2.89636 0.28663 0 0 0 0 0 -0.04311 0.04393 0.76813 0 -0.01632 0 1.9342 -0.14006 0.61327 -2.82918
ALA_11 -6.02712 0.64018 3.87772 -0.02125 0 0 2.86916 -2.81868 -0.0009 -0.0061 -3.06606 -0.35112 0 0 0 0 0 -0.00605 0 0 0 -0.21392 0 1.8394 -0.23413 0.73866 -2.78019
GLU_12 -4.35188 0.23948 6.16231 -0.45541 0.06738 0.89702 2.63454 -2.57029 -0.02502 -0.18958 -2.87084 -0.47897 0 0 0 -0.56543 0 0.08477 0.00555 0 3.31471 -0.33281 0 -2.7348 -0.45064 0.42087 -1.19904
LYS_13 -3.77484 0.1238 3.92653 -0.30166 0.02921 0.13487 1.65172 -1.87666 -0 -0 -0.6947 -0.01378 0 0 0 0 0 -0.03328 0.00409 1.87264 0 -0.08798 0 -1.5107 -0.35891 0.27359 -0.63607
PHE_14 -8.70749 1.14964 3.3939 -0.52338 0.27074 0.23164 3.63834 -2.78159 -0.00121 -0.0046 -3.67078 -0.09087 0 0 0 0 0 -0.02511 0.03428 0 4.01985 0.02285 0 1.0402 -0.07942 0.55568 -1.52733
LYS_15 -5.32804 0.39181 6.20367 -0.41949 0.09087 0.20291 3.03794 -2.56019 -0 -0 -3.45908 0.09153 0 0 0 -0.56543 0 -0.05816 0.32334 1.70839 0 -0.0585 0 -1.5107 -0.28368 0.78202 -1.41079
GLU_16 -2.23836 0.32956 2.68097 -0.23163 0.03619 0.36367 0.41203 -1.11991 -0 -0 -0.28492 -0.55519 0 0 0 0 0 -0.00785 0.00835 0 2.92884 -0.0542 0 -2.7348 -0.48822 0.47454 -0.48095
ALA_17 -2.73247 0.22049 1.41179 -0.02198 0 0 1.23736 -1.18494 -0 -0 -0.56464 -0.31536 0 0 0 0 0 -0.00158 0 0 0 0.51664 0 1.8394 0.29063 0.21404 0.90939
PHE_18 -6.29827 1.00076 2.09602 -0.61251 0.06427 0.33092 1.48577 -1.72487 -0.00121 -0.0046 -0.3659 0.25353 0 0 0 0 0 0.13014 0.03824 0 1.91996 -0.35306 0 1.0402 0.48664 0.81462 0.30065
PRO_19 -2.85605 0.58968 2.93101 -0.12285 0.0007 0.09055 1.81251 -1.26777 -0 -0 -1.8694 0.24355 0 0 0 0 0 -0.02896 0.01768 0.17133 0 -1.16494 0 -2.4119 -0.3471 0.93064 -3.28132
ALA_20 -3.22947 0.24196 3.43904 -0.02372 0 0 1.64813 -1.76911 -0 -0 -1.37995 -0.3641 0 0 0 0 0 -0.07808 0 0 0 -0.30843 0 1.8394 -0.34226 0.37189 0.04531
SER_21 -3.7179 0.26754 4.45733 -0.02449 0 0.02222 1.52526 -2.069 -0 -0 -1.04012 -0.41228 0 0 0 0 0 -0.06029 0.00081 0.61193 0 0.24681 0.60087 -0.77834 -0.12533 0.23447 -0.26049
HIS_D_22 -6.88588 0.77449 5.68084 -0.72995 0.02875 0.77023 2.91623 -2.88437 -0.00596 -0.06581 -2.25619 -0.31842 0 0 0 0 0 -0.02601 0.02586 0 1.96121 -0.13509 0 -0.45461 -0.10857 0.26783 -1.44543
LEU_23 -6.48457 0.38279 4.45233 -0.63811 0.14197 0.22161 2.55265 -2.65089 -0 -0 -1.49546 0.04877 0 0 0 0 0 0.13286 0.02949 1.03201 0 -0.25136 0 0.18072 -0.12988 0.44418 -2.03088
ARG_24 -6.75064 0.57253 7.33899 -0.71268 0.09352 0.44977 2.73116 -3.39246 -0 -0 -2.34799 0.32124 0 0 0 0 0 0.12811 0.0564 1.44283 0 -0.04906 0 -1.2888 -0.30087 0.46083 -1.24709
LYS_25 -5.25006 0.2345 6.1417 -0.29882 0.02613 0.13271 2.59337 -2.78192 -0 -0 -2.13079 -0.0358 0 0 0 0 0 -0.01579 0.00716 1.74616 0 -0.04132 0 -1.5107 -0.41705 0.33786 -1.26266
LEU_26 -9.53342 0.85068 4.32558 -0.61954 0.11634 0.19464 2.81042 -3.23118 -0 -0 -2.2494 0.09202 0 0 0 0 0 -0.01596 0.11235 0.84583 0 -0.20332 0 0.18072 -0.26369 0.45852 -6.12939
ARG_27 -7.48922 1.13024 6.57564 -0.53855 0.0782 0.28295 3.11767 -3.07242 -0.00104 -0.00352 -2.70606 0.64472 0 0 0 0 0 0.04873 0.05313 2.50938 0 -0.14701 0 -1.2888 -0.19965 0.90229 -0.10333
LYS_28 -4.56978 0.37766 5.45655 -0.29649 0.02613 0.12616 2.44623 -2.40808 -0 -0 -2.0099 0.00388 0 0 0 0 0 -0.0276 0.00316 1.80851 0 0.05004 0 -1.5107 -0.29923 0.6796 -0.14385
ARG_29 -6.11482 0.24537 6.02048 -0.85052 0.10265 0.5741 1.7349 -2.92579 -0.00728 -0.07122 -1.19195 0.3433 0 0 0 0 0 -0.00311 0.27574 1.47685 0 -0.15317 0 -1.2888 -0.36602 0.41503 -1.78425
LEU_30 -7.86413 0.94435 3.26784 -0.52908 0.29956 0.11974 2.29252 -2.47026 -0 -0 -1.29309 0.10943 0 0 0 0 0 -0.04819 0.08394 2.82916 0 -0.28306 0 0.18072 -0.19843 0.69479 -1.86419
LEU_31 -6.3633 0.76433 3.1835 -0.514 0.27404 0.14149 2.36147 -2.22903 -0.01002 -0.04563 -2.08354 0.16491 0 0 0 0 0 0.06051 0.00299 0.17242 0 -0.19421 0 0.18072 -0.1343 0.79559 -3.47207
ARG_32 -4.56806 0.37824 5.98567 -0.59145 0.10742 0.33854 2.25079 -2.45615 -0.00104 -0.00352 -2.58685 0.56902 0 0 0 -0.62471 0 -0.10179 0.14018 2.28616 0 -0.15363 0 -1.2888 -0.46803 0.66895 -0.11907
ASP_33 -4.32355 0.57708 4.66851 -0.12069 0.01437 0.3729 1.03 -2.05315 -0.00132 -0.00541 -2.00801 -0.24301 0 0 0 -0.62471 0 -0.0609 0.03193 0 2.46687 -0.312 0 -2.3716 -0.62473 0.40756 -3.1799
ALA_34 -4.3936 0.24432 2.62452 -0.0218 0 0 1.85811 -1.98656 -0.01002 -0.04563 -1.07192 -0.17314 0 0 0 0 0 0.06401 0 0 0 0.02858 0 1.8394 -0.42179 0.23473 -1.2308
ASP_35 -1.80103 0.06607 3.05252 -0.09998 0.00081 0.30394 0.9523 -1.25164 -0 -0 -1.42893 -0.22344 0 0 -0.74261 0 0 -0.02918 0.00616 0 1.94509 -0.07931 0 -2.3716 0.015 0.17171 -1.51411
ASP_36 -3.48935 0.11757 4.02537 -0.09163 0.01133 0.26338 1.2079 -1.61805 -0.04125 -0.22475 -1.89523 0.1043 0 0 -0.72581 0 0 -0.02303 0.01824 0 1.77262 -0.32131 0 -2.3716 -0.05427 0.16604 -3.16952
LEU:CtermProteinFull_37 -1.87988 0.33727 3.25281 -0.48824 0.17767 0.19963 0.71992 -1.23026 -0.00124 -0.02693 -3.26557 0.24269 0 0 0 0 0 0 0.06697 0.88899 0 0 0 0.18072 -0.1368 0.23965 -0.7226
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

