REMARK ID 699803 DOMAINID 690196 MODEL 1 LI0649-2
MODEL     1
REMARK    Rerank model01.pdb score: 10.704
REMARK    CLUSTER 0001 t000_.out.valid.rescored.best_scoring.binary cluster_size: 20 cluster_threshold: 3.238783
REMARK    SCORE           score:         -34.283
REMARK    SCORE             ref:           3.253
REMARK    SCORE          fa_dun:          31.152
REMARK    SCORE     lk_ball_wtd:          -5.058
REMARK    SCORE     hbond_bb_sc:          -5.518
REMARK    SCORE     total_score:         -34.283
REMARK    SCORE     description: cluster0001_0001
REMARK    SCORE          fa_sol:          73.527
REMARK    SCORE          fa_atr:        -110.037
REMARK    SCORE    fa_intra_rep:           0.252
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE          fa_rep:          10.169
REMARK    SCORE     hbond_sr_bb:          -8.014
REMARK    SCORE     hbond_lr_bb:          -1.068
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE     rama_prepro:          -4.651
REMARK    SCORE           omega:          -0.180
REMARK    SCORE fa_intra_sol_xover4:           7.515
REMARK    SCORE         fa_elec:         -29.233
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE         p_aa_pp:          -7.129
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     cart_bonded:          13.223
REMARK    SCORE            time:           0.000
REMARK    SCORE        hbond_sc:          -2.485
ATOM      1  N   SER A   1       0.105  -0.116   0.513  1.00  5.940          N  
ATOM      2  CA  SER A   1       1.544   0.084   0.594  1.00  5.350          C  
ATOM      3  C   SER A   1       1.919   1.507   0.239  1.00  4.380          C  
ATOM      4  O   SER A   1       1.057   2.382   0.156  1.00  4.450          O  
ATOM      5  CB  SER A   1       2.255  -0.869  -0.344  1.00  7.730          C  
ATOM      6  OG  SER A   1       1.997  -0.528  -1.677  1.00  7.730          O  
ATOM      7 1H   SER A   1      -0.112  -1.070   0.748  1.00  7.130          H  
ATOM      8 2H   SER A   1      -0.356   0.522   1.150  1.00  7.130          H  
ATOM      9 3H   SER A   1      -0.224   0.088  -0.432  1.00  7.130          H  
ATOM     10  HA  SER A   1       1.864  -0.112   1.620  1.00  6.420          H  
ATOM     11 1HB  SER A   1       3.329  -0.844  -0.164  1.00  9.270          H  
ATOM     12 2HB  SER A   1       1.918  -1.885  -0.156  1.00  9.270          H  
ATOM     13  HG  SER A   1       2.570  -1.112  -2.208  1.00  9.270          H  
ATOM     14  N   ASP A   2       3.219   1.763   0.100  1.00  3.940          N  
ATOM     15  CA  ASP A   2       3.656   3.101  -0.257  1.00  3.420          C  
ATOM     16  C   ASP A   2       3.526   3.314  -1.757  1.00  3.080          C  
ATOM     17  O   ASP A   2       3.148   4.394  -2.217  1.00  3.320          O  
ATOM     18  CB  ASP A   2       5.106   3.337   0.143  1.00  5.000          C  
ATOM     19  CG  ASP A   2       5.339   3.262   1.649  1.00  5.000          C  
ATOM     20  OD1 ASP A   2       4.429   2.889   2.371  1.00  5.000          O  
ATOM     21  OD2 ASP A   2       6.400   3.642   2.080  1.00  5.000          O  
ATOM     22  H   ASP A   2       3.903   1.031   0.238  1.00  4.730          H  
ATOM     23  HA  ASP A   2       3.020   3.825   0.252  1.00  4.100          H  
ATOM     24 1HB  ASP A   2       5.737   2.584  -0.348  1.00  6.000          H  
ATOM     25 2HB  ASP A   2       5.422   4.300  -0.229  1.00  6.000          H  
ATOM     26  N   GLU A   3       3.857   2.264  -2.511  1.00  3.130          N  
ATOM     27  CA  GLU A   3       3.830   2.243  -3.967  1.00  3.440          C  
ATOM     28  C   GLU A   3       2.408   2.354  -4.503  1.00  3.040          C  
ATOM     29  O   GLU A   3       2.162   2.983  -5.534  1.00  3.270          O  
ATOM     30  CB  GLU A   3       4.491   0.962  -4.472  1.00  4.690          C  
ATOM     31  CG  GLU A   3       5.984   0.867  -4.144  1.00  4.690          C  
ATOM     32  CD  GLU A   3       6.241   0.434  -2.711  1.00  4.690          C  
ATOM     33  OE1 GLU A   3       5.288   0.094  -2.031  1.00  4.690          O  
ATOM     34  OE2 GLU A   3       7.366   0.470  -2.291  1.00  4.690          O  
ATOM     35  H   GLU A   3       4.182   1.422  -2.033  1.00  3.760          H  
ATOM     36  HA  GLU A   3       4.397   3.100  -4.332  1.00  4.130          H  
ATOM     37 1HB  GLU A   3       3.985   0.097  -4.046  1.00  5.630          H  
ATOM     38 2HB  GLU A   3       4.383   0.903  -5.555  1.00  5.630          H  
ATOM     39 1HG  GLU A   3       6.452   0.151  -4.818  1.00  5.630          H  
ATOM     40 2HG  GLU A   3       6.441   1.840  -4.313  1.00  5.630          H  
ATOM     41  N   ASP A   4       1.470   1.717  -3.807  1.00  2.990          N  
ATOM     42  CA  ASP A   4       0.073   1.729  -4.207  1.00  3.080          C  
ATOM     43  C   ASP A   4      -0.759   1.966  -2.943  1.00  2.570          C  
ATOM     44  O   ASP A   4      -1.040   1.041  -2.160  1.00  2.800          O  
ATOM     45  CB  ASP A   4      -0.295   0.403  -4.897  1.00  4.280          C  
ATOM     46  CG  ASP A   4      -1.706   0.372  -5.504  1.00  4.280          C  
ATOM     47  OD1 ASP A   4      -2.383   1.365  -5.429  1.00  4.280          O  
ATOM     48  OD2 ASP A   4      -2.082  -0.647  -6.052  1.00  4.280          O  
ATOM     49  H   ASP A   4       1.750   1.197  -2.980  1.00  3.590          H  
ATOM     50  HA  ASP A   4      -0.099   2.551  -4.899  1.00  3.700          H  
ATOM     51 1HB  ASP A   4       0.424   0.209  -5.693  1.00  5.130          H  
ATOM     52 2HB  ASP A   4      -0.207  -0.412  -4.178  1.00  5.130          H  
ATOM     53  N   LEU A   5      -1.116   3.232  -2.727  1.00  2.380          N  
ATOM     54  CA  LEU A   5      -1.795   3.648  -1.512  1.00  2.300          C  
ATOM     55  C   LEU A   5      -3.160   2.975  -1.412  1.00  2.060          C  
ATOM     56  O   LEU A   5      -3.913   2.938  -2.388  1.00  2.520          O  
ATOM     57  CB  LEU A   5      -2.012   5.176  -1.503  1.00  3.250          C  
ATOM     58  CG  LEU A   5      -2.385   5.827  -0.131  1.00  3.250          C  
ATOM     59  CD1 LEU A   5      -1.157   5.775   0.780  1.00  3.250          C  
ATOM     60  CD2 LEU A   5      -2.836   7.250  -0.325  1.00  3.250          C  
ATOM     61  H   LEU A   5      -0.876   3.922  -3.425  1.00  2.860          H  
ATOM     62  HA  LEU A   5      -1.193   3.334  -0.665  1.00  2.760          H  
ATOM     63 1HB  LEU A   5      -1.098   5.649  -1.857  1.00  3.900          H  
ATOM     64 2HB  LEU A   5      -2.812   5.407  -2.209  1.00  3.900          H  
ATOM     65  HG  LEU A   5      -3.189   5.262   0.340  1.00  3.900          H  
ATOM     66 1HD1 LEU A   5      -1.394   6.217   1.743  1.00  3.900          H  
ATOM     67 2HD1 LEU A   5      -0.834   4.761   0.928  1.00  3.900          H  
ATOM     68 3HD1 LEU A   5      -0.341   6.334   0.320  1.00  3.900          H  
ATOM     69 1HD2 LEU A   5      -3.087   7.688   0.646  1.00  3.900          H  
ATOM     70 2HD2 LEU A   5      -2.026   7.798  -0.789  1.00  3.900          H  
ATOM     71 3HD2 LEU A   5      -3.716   7.269  -0.972  1.00  3.900          H  
ATOM     72  N   SER A   6      -3.513   2.504  -0.225  1.00  1.900          N  
ATOM     73  CA  SER A   6      -4.802   1.869  -0.012  1.00  2.020          C  
ATOM     74  C   SER A   6      -5.360   2.192   1.359  1.00  1.880          C  
ATOM     75  O   SER A   6      -4.646   2.175   2.363  1.00  2.370          O  
ATOM     76  CB  SER A   6      -4.697   0.376  -0.222  1.00  2.780          C  
ATOM     77  OG  SER A   6      -5.918  -0.260   0.066  1.00  2.780          O  
ATOM     78  H   SER A   6      -2.850   2.547   0.535  1.00  2.280          H  
ATOM     79  HA  SER A   6      -5.501   2.262  -0.756  1.00  2.420          H  
ATOM     80 1HB  SER A   6      -4.421   0.185  -1.262  1.00  3.340          H  
ATOM     81 2HB  SER A   6      -3.914  -0.023   0.397  1.00  3.340          H  
ATOM     82  HG  SER A   6      -5.811  -1.175  -0.217  1.00  3.340          H  
ATOM     83  N   THR A   7      -6.645   2.518   1.375  1.00  1.980          N  
ATOM     84  CA  THR A   7      -7.404   2.959   2.538  1.00  2.480          C  
ATOM     85  C   THR A   7      -7.224   2.091   3.775  1.00  1.930          C  
ATOM     86  O   THR A   7      -7.082   2.593   4.889  1.00  2.450          O  
ATOM     87  CB  THR A   7      -8.907   2.932   2.178  1.00  3.270          C  
ATOM     88  OG1 THR A   7      -9.144   3.760   1.026  1.00  3.270          O  
ATOM     89  CG2 THR A   7      -9.783   3.393   3.339  1.00  3.270          C  
ATOM     90  H   THR A   7      -7.146   2.486   0.495  1.00  2.380          H  
ATOM     91  HA  THR A   7      -7.100   3.980   2.778  1.00  2.980          H  
ATOM     92  HB  THR A   7      -9.188   1.912   1.931  1.00  3.930          H  
ATOM     93  HG1 THR A   7      -8.857   4.690   1.207  1.00  3.930          H  
ATOM     94 1HG2 THR A   7     -10.826   3.349   3.038  1.00  3.930          H  
ATOM     95 2HG2 THR A   7      -9.636   2.759   4.208  1.00  3.930          H  
ATOM     96 3HG2 THR A   7      -9.528   4.423   3.599  1.00  3.930          H  
ATOM     97  N   GLU A   8      -7.291   0.785   3.581  1.00  1.420          N  
ATOM     98  CA  GLU A   8      -7.230  -0.176   4.672  1.00  1.600          C  
ATOM     99  C   GLU A   8      -5.856  -0.811   4.894  1.00  1.450          C  
ATOM    100  O   GLU A   8      -5.751  -1.791   5.636  1.00  1.880          O  
ATOM    101  CB  GLU A   8      -8.276  -1.271   4.436  1.00  2.170          C  
ATOM    102  CG  GLU A   8      -9.722  -0.763   4.435  1.00  2.170          C  
ATOM    103  CD  GLU A   8     -10.749  -1.849   4.191  1.00  2.170          C  
ATOM    104  OE1 GLU A   8     -10.363  -2.967   3.948  1.00  2.170          O  
ATOM    105  OE2 GLU A   8     -11.920  -1.552   4.249  1.00  2.170          O  
ATOM    106  H   GLU A   8      -7.409   0.441   2.638  1.00  1.700          H  
ATOM    107  HA  GLU A   8      -7.492   0.349   5.590  1.00  1.920          H  
ATOM    108 1HB  GLU A   8      -8.084  -1.753   3.478  1.00  2.600          H  
ATOM    109 2HB  GLU A   8      -8.193  -2.031   5.210  1.00  2.600          H  
ATOM    110 1HG  GLU A   8      -9.928  -0.296   5.396  1.00  2.600          H  
ATOM    111 2HG  GLU A   8      -9.823   0.002   3.668  1.00  2.600          H  
ATOM    112  N   GLN A   9      -4.816  -0.330   4.213  1.00  1.100          N  
ATOM    113  CA  GLN A   9      -3.513  -0.956   4.376  1.00  1.110          C  
ATOM    114  C   GLN A   9      -2.558  -0.083   5.183  1.00  1.020          C  
ATOM    115  O   GLN A   9      -2.792   1.114   5.310  1.00  1.170          O  
ATOM    116  CB  GLN A   9      -2.921  -1.284   3.012  1.00  1.550          C  
ATOM    117  CG  GLN A   9      -3.769  -2.248   2.224  1.00  1.550          C  
ATOM    118  CD  GLN A   9      -3.845  -3.570   2.924  1.00  1.550          C  
ATOM    119  OE1 GLN A   9      -2.807  -4.144   3.268  1.00  1.550          O  
ATOM    120  NE2 GLN A   9      -5.051  -4.058   3.161  1.00  1.550          N  
ATOM    121  H   GLN A   9      -4.916   0.509   3.633  1.00  1.320          H  
ATOM    122  HA  GLN A   9      -3.677  -1.887   4.890  1.00  1.330          H  
ATOM    123 1HB  GLN A   9      -2.814  -0.362   2.448  1.00  1.860          H  
ATOM    124 2HB  GLN A   9      -1.927  -1.708   3.128  1.00  1.860          H  
ATOM    125 1HG  GLN A   9      -4.776  -1.849   2.133  1.00  1.860          H  
ATOM    126 2HG  GLN A   9      -3.326  -2.398   1.244  1.00  1.860          H  
ATOM    127 1HE2 GLN A   9      -5.153  -4.931   3.635  1.00  1.860          H  
ATOM    128 2HE2 GLN A   9      -5.868  -3.549   2.878  1.00  1.860          H  
ATOM    129  N   PRO A  10      -1.542  -0.663   5.842  1.00  1.150          N  
ATOM    130  CA  PRO A  10      -0.445   0.059   6.438  1.00  1.270          C  
ATOM    131  C   PRO A  10       0.309   0.807   5.353  1.00  1.090          C  
ATOM    132  O   PRO A  10       0.460   0.296   4.241  1.00  1.210          O  
ATOM    133  CB  PRO A  10       0.423  -1.056   7.036  1.00  1.910          C  
ATOM    134  CG  PRO A  10      -0.526  -2.209   7.247  1.00  1.910          C  
ATOM    135  CD  PRO A  10      -1.524  -2.117   6.106  1.00  1.910          C  
ATOM    136  HA  PRO A  10      -0.827   0.750   7.204  1.00  1.520          H  
ATOM    137 1HB  PRO A  10       1.247  -1.296   6.348  1.00  2.290          H  
ATOM    138 2HB  PRO A  10       0.884  -0.702   7.971  1.00  2.290          H  
ATOM    139 1HG  PRO A  10       0.030  -3.161   7.240  1.00  2.290          H  
ATOM    140 2HG  PRO A  10      -1.001  -2.129   8.236  1.00  2.290          H  
ATOM    141 1HD  PRO A  10      -1.184  -2.681   5.223  1.00  2.290          H  
ATOM    142 2HD  PRO A  10      -2.482  -2.481   6.502  1.00  2.290          H  
ATOM    143  N   VAL A  11       0.792   1.984   5.693  1.00  1.150          N  
ATOM    144  CA  VAL A  11       1.616   2.836   4.842  1.00  1.130          C  
ATOM    145  C   VAL A  11       2.779   3.286   5.711  1.00  1.140          C  
ATOM    146  O   VAL A  11       2.585   3.528   6.898  1.00  1.340          O  
ATOM    147  CB  VAL A  11       0.790   4.020   4.296  1.00  1.590          C  
ATOM    148  CG1 VAL A  11       1.649   4.950   3.449  1.00  1.590          C  
ATOM    149  CG2 VAL A  11      -0.384   3.445   3.478  1.00  1.590          C  
ATOM    150  H   VAL A  11       0.587   2.313   6.626  1.00  1.380          H  
ATOM    151  HA  VAL A  11       2.010   2.258   4.000  1.00  1.360          H  
ATOM    152  HB  VAL A  11       0.416   4.601   5.105  1.00  1.910          H  
ATOM    153 1HG1 VAL A  11       1.041   5.769   3.091  1.00  1.910          H  
ATOM    154 2HG1 VAL A  11       2.466   5.348   4.045  1.00  1.910          H  
ATOM    155 3HG1 VAL A  11       2.058   4.396   2.600  1.00  1.910          H  
ATOM    156 1HG2 VAL A  11      -0.988   4.234   3.102  1.00  1.910          H  
ATOM    157 2HG2 VAL A  11       0.008   2.858   2.648  1.00  1.910          H  
ATOM    158 3HG2 VAL A  11      -1.010   2.809   4.096  1.00  1.910          H  
ATOM    159  N   HIS A  12       3.985   3.361   5.167  1.00  1.040          N  
ATOM    160  CA  HIS A  12       5.100   3.758   6.013  1.00  1.120          C  
ATOM    161  C   HIS A  12       4.912   5.174   6.552  1.00  1.280          C  
ATOM    162  O   HIS A  12       4.480   6.094   5.832  1.00  1.370          O  
ATOM    163  CB  HIS A  12       6.434   3.644   5.267  1.00  1.540          C  
ATOM    164  CG  HIS A  12       7.648   3.681   6.172  1.00  1.540          C  
ATOM    165  ND1 HIS A  12       8.162   4.844   6.733  1.00  1.540          N  
ATOM    166  CD2 HIS A  12       8.437   2.672   6.615  1.00  1.540          C  
ATOM    167  CE1 HIS A  12       9.215   4.535   7.479  1.00  1.540          C  
ATOM    168  NE2 HIS A  12       9.400   3.229   7.419  1.00  1.540          N  
ATOM    169  H   HIS A  12       4.139   3.148   4.167  1.00  1.250          H  
ATOM    170  HA  HIS A  12       5.152   3.089   6.869  1.00  1.340          H  
ATOM    171 1HB  HIS A  12       6.452   2.715   4.694  1.00  1.840          H  
ATOM    172 2HB  HIS A  12       6.518   4.458   4.553  1.00  1.840          H  
ATOM    173  HD2 HIS A  12       8.327   1.614   6.377  1.00  1.840          H  
ATOM    174  HE1 HIS A  12       9.829   5.239   8.043  1.00  1.840          H  
ATOM    175  HE2 HIS A  12      10.133   2.711   7.891  1.00  1.840          H  
ATOM    176  N   GLY A  13       5.288   5.358   7.820  1.00  1.540          N  
ATOM    177  CA  GLY A  13       5.185   6.636   8.510  1.00  1.840          C  
ATOM    178  C   GLY A  13       5.900   7.764   7.776  1.00  1.400          C  
ATOM    179  O   GLY A  13       5.486   8.923   7.868  1.00  1.590          O  
ATOM    180  H   GLY A  13       5.640   4.556   8.329  1.00  1.850          H  
ATOM    181 1HA  GLY A  13       4.138   6.892   8.644  1.00  2.210          H  
ATOM    182 2HA  GLY A  13       5.603   6.530   9.508  1.00  2.210          H  
ATOM    183  N   GLY A  14       6.986   7.444   7.061  1.00  1.100          N  
ATOM    184  CA  GLY A  14       7.748   8.428   6.308  1.00  1.180          C  
ATOM    185  C   GLY A  14       6.968   9.019   5.142  1.00  1.000          C  
ATOM    186  O   GLY A  14       7.333  10.068   4.630  1.00  1.110          O  
ATOM    187  H   GLY A  14       7.323   6.477   7.030  1.00  1.320          H  
ATOM    188 1HA  GLY A  14       8.065   9.234   6.970  1.00  1.420          H  
ATOM    189 2HA  GLY A  14       8.653   7.954   5.926  1.00  1.420          H  
ATOM    190  N   ARG A  15       5.913   8.344   4.680  1.00  0.880          N  
ATOM    191  CA  ARG A  15       5.118   8.872   3.579  1.00  0.870          C  
ATOM    192  C   ARG A  15       4.043   9.761   4.170  1.00  0.850          C  
ATOM    193  O   ARG A  15       3.780  10.892   3.737  1.00  0.920          O  
ATOM    194  CB  ARG A  15       4.420   7.756   2.821  1.00  1.220          C  
ATOM    195  CG  ARG A  15       5.296   6.675   2.221  1.00  1.220          C  
ATOM    196  CD  ARG A  15       6.192   7.129   1.119  1.00  1.220          C  
ATOM    197  NE  ARG A  15       7.423   7.748   1.615  1.00  1.220          N  
ATOM    198  CZ  ARG A  15       8.503   7.083   2.121  1.00  1.220          C  
ATOM    199  NH1 ARG A  15       8.531   5.752   2.218  1.00  1.220          N  
ATOM    200  NH2 ARG A  15       9.557   7.781   2.522  1.00  1.220          N  
ATOM    201  H   ARG A  15       5.627   7.470   5.126  1.00  1.060          H  
ATOM    202  HA  ARG A  15       5.742   9.470   2.913  1.00  1.040          H  
ATOM    203 1HB  ARG A  15       3.743   7.254   3.501  1.00  1.470          H  
ATOM    204 2HB  ARG A  15       3.816   8.169   2.030  1.00  1.470          H  
ATOM    205 1HG  ARG A  15       5.896   6.229   3.010  1.00  1.470          H  
ATOM    206 2HG  ARG A  15       4.635   5.919   1.813  1.00  1.470          H  
ATOM    207 1HD  ARG A  15       6.466   6.285   0.497  1.00  1.470          H  
ATOM    208 2HD  ARG A  15       5.664   7.866   0.512  1.00  1.470          H  
ATOM    209  HE  ARG A  15       7.477   8.760   1.571  1.00  1.470          H  
ATOM    210 1HH1 ARG A  15       7.725   5.159   1.937  1.00  1.470          H  
ATOM    211 2HH1 ARG A  15       9.347   5.292   2.592  1.00  1.470          H  
ATOM    212 1HH2 ARG A  15       9.549   8.792   2.458  1.00  1.470          H  
ATOM    213 2HH2 ARG A  15      10.364   7.307   2.898  1.00  1.470          H  
ATOM    214  N   ILE A  16       3.464   9.245   5.249  1.00  0.880          N  
ATOM    215  CA  ILE A  16       2.341   9.880   5.904  1.00  1.030          C  
ATOM    216  C   ILE A  16       2.730  11.254   6.418  1.00  1.130          C  
ATOM    217  O   ILE A  16       2.060  12.256   6.146  1.00  1.230          O  
ATOM    218  CB  ILE A  16       1.877   8.978   7.073  1.00  1.380          C  
ATOM    219  CG1 ILE A  16       1.272   7.641   6.491  1.00  1.380          C  
ATOM    220  CG2 ILE A  16       0.872   9.727   7.977  1.00  1.380          C  
ATOM    221  CD1 ILE A  16       1.082   6.557   7.500  1.00  1.380          C  
ATOM    222  H   ILE A  16       3.781   8.324   5.565  1.00  1.060          H  
ATOM    223  HA  ILE A  16       1.544   9.996   5.183  1.00  1.240          H  
ATOM    224  HB  ILE A  16       2.742   8.703   7.667  1.00  1.660          H  
ATOM    225 1HG1 ILE A  16       0.319   7.839   6.055  1.00  1.660          H  
ATOM    226 2HG1 ILE A  16       1.935   7.261   5.715  1.00  1.660          H  
ATOM    227 1HG2 ILE A  16       0.570   9.093   8.802  1.00  1.660          H  
ATOM    228 2HG2 ILE A  16       1.326  10.627   8.388  1.00  1.660          H  
ATOM    229 3HG2 ILE A  16      -0.003  10.006   7.409  1.00  1.660          H  
ATOM    230 1HD1 ILE A  16       0.680   5.678   7.028  1.00  1.660          H  
ATOM    231 2HD1 ILE A  16       2.037   6.312   7.930  1.00  1.660          H  
ATOM    232 3HD1 ILE A  16       0.401   6.871   8.282  1.00  1.660          H  
ATOM    233  N   ARG A  17       3.868  11.315   7.096  1.00  1.190          N  
ATOM    234  CA  ARG A  17       4.375  12.533   7.700  1.00  1.400          C  
ATOM    235  C   ARG A  17       4.850  13.591   6.711  1.00  1.360          C  
ATOM    236  O   ARG A  17       5.135  14.718   7.116  1.00  1.540          O  
ATOM    237  CB  ARG A  17       5.518  12.204   8.640  1.00  1.880          C  
ATOM    238  CG  ARG A  17       5.108  11.425   9.884  1.00  1.880          C  
ATOM    239  CD  ARG A  17       6.281  11.026  10.690  1.00  1.880          C  
ATOM    240  NE  ARG A  17       7.118  10.049   9.992  1.00  1.880          N  
ATOM    241  CZ  ARG A  17       8.329   9.618  10.427  1.00  1.880          C  
ATOM    242  NH1 ARG A  17       8.836  10.084  11.553  1.00  1.880          N  
ATOM    243  NH2 ARG A  17       9.018   8.733   9.722  1.00  1.880          N  
ATOM    244  H   ARG A  17       4.379  10.444   7.265  1.00  1.430          H  
ATOM    245  HA  ARG A  17       3.568  12.965   8.289  1.00  1.680          H  
ATOM    246 1HB  ARG A  17       6.258  11.613   8.099  1.00  2.250          H  
ATOM    247 2HB  ARG A  17       6.005  13.123   8.961  1.00  2.250          H  
ATOM    248 1HG  ARG A  17       4.468  12.049  10.500  1.00  2.250          H  
ATOM    249 2HG  ARG A  17       4.562  10.529   9.595  1.00  2.250          H  
ATOM    250 1HD  ARG A  17       6.883  11.911  10.897  1.00  2.250          H  
ATOM    251 2HD  ARG A  17       5.938  10.585  11.622  1.00  2.250          H  
ATOM    252  HE  ARG A  17       6.749   9.657   9.114  1.00  2.250          H  
ATOM    253 1HH1 ARG A  17       8.323  10.759  12.101  1.00  2.250          H  
ATOM    254 2HH1 ARG A  17       9.738   9.763  11.875  1.00  2.250          H  
ATOM    255 1HH2 ARG A  17       8.646   8.374   8.850  1.00  2.250          H  
ATOM    256 2HH2 ARG A  17       9.918   8.417  10.050  1.00  2.250          H  
ATOM    257  N   LEU A  18       5.013  13.239   5.437  1.00  1.190          N  
ATOM    258  CA  LEU A  18       5.456  14.209   4.461  1.00  1.260          C  
ATOM    259  C   LEU A  18       4.298  14.690   3.609  1.00  1.240          C  
ATOM    260  O   LEU A  18       4.494  15.488   2.690  1.00  1.400          O  
ATOM    261  CB  LEU A  18       6.559  13.621   3.582  1.00  1.740          C  
ATOM    262  CG  LEU A  18       7.870  13.208   4.286  1.00  1.740          C  
ATOM    263  CD1 LEU A  18       8.778  12.571   3.246  1.00  1.740          C  
ATOM    264  CD2 LEU A  18       8.556  14.418   4.938  1.00  1.740          C  
ATOM    265  H   LEU A  18       4.739  12.316   5.095  1.00  1.430          H  
ATOM    266  HA  LEU A  18       5.843  15.078   4.982  1.00  1.510          H  
ATOM    267 1HB  LEU A  18       6.163  12.711   3.139  1.00  2.080          H  
ATOM    268 2HB  LEU A  18       6.796  14.321   2.786  1.00  2.080          H  
ATOM    269  HG  LEU A  18       7.652  12.469   5.053  1.00  2.080          H  
ATOM    270 1HD1 LEU A  18       9.703  12.245   3.721  1.00  2.080          H  
ATOM    271 2HD1 LEU A  18       8.273  11.706   2.810  1.00  2.080          H  
ATOM    272 3HD1 LEU A  18       9.004  13.292   2.464  1.00  2.080          H  
ATOM    273 1HD2 LEU A  18       9.479  14.090   5.414  1.00  2.080          H  
ATOM    274 2HD2 LEU A  18       8.785  15.163   4.177  1.00  2.080          H  
ATOM    275 3HD2 LEU A  18       7.913  14.860   5.695  1.00  2.080          H  
ATOM    276  N   GLY A  19       3.089  14.192   3.892  1.00  1.180          N  
ATOM    277  CA  GLY A  19       1.931  14.576   3.113  1.00  1.270          C  
ATOM    278  C   GLY A  19       1.902  13.957   1.721  1.00  1.270          C  
ATOM    279  O   GLY A  19       1.308  14.536   0.810  1.00  1.420          O  
ATOM    280  H   GLY A  19       2.952  13.548   4.675  1.00  1.420          H  
ATOM    281 1HA  GLY A  19       1.032  14.282   3.658  1.00  1.520          H  
ATOM    282 2HA  GLY A  19       1.904  15.661   3.029  1.00  1.520          H  
ATOM    283  N   THR A  20       2.510  12.777   1.522  1.00  1.170          N  
ATOM    284  CA  THR A  20       2.527  12.197   0.177  1.00  1.300          C  
ATOM    285  C   THR A  20       1.356  11.244  -0.014  1.00  1.320          C  
ATOM    286  O   THR A  20       1.228  10.587  -1.049  1.00  1.500          O  
ATOM    287  CB  THR A  20       3.836  11.449  -0.113  1.00  1.770          C  
ATOM    288  OG1 THR A  20       3.939  10.321   0.735  1.00  1.770          O  
ATOM    289  CG2 THR A  20       5.008  12.374   0.183  1.00  1.770          C  
ATOM    290  H   THR A  20       2.984  12.268   2.280  1.00  1.400          H  
ATOM    291  HA  THR A  20       2.428  13.001  -0.550  1.00  1.560          H  
ATOM    292  HB  THR A  20       3.864  11.129  -1.155  1.00  2.120          H  
ATOM    293  HG1 THR A  20       3.326   9.643   0.420  1.00  2.120          H  
ATOM    294 1HG2 THR A  20       5.944  11.853  -0.006  1.00  2.120          H  
ATOM    295 2HG2 THR A  20       4.946  13.254  -0.452  1.00  2.120          H  
ATOM    296 3HG2 THR A  20       4.969  12.680   1.214  1.00  2.120          H  
ATOM    297  N   ILE A  21       0.525  11.146   1.012  1.00  1.260          N  
ATOM    298  CA  ILE A  21      -0.639  10.285   0.995  1.00  1.390          C  
ATOM    299  C   ILE A  21      -1.880  11.082   0.562  1.00  1.470          C  
ATOM    300  O   ILE A  21      -2.156  12.165   1.070  1.00  1.380          O  
ATOM    301  CB  ILE A  21      -0.828   9.638   2.395  1.00  1.890          C  
ATOM    302  CG1 ILE A  21      -1.014  10.755   3.516  1.00  1.890          C  
ATOM    303  CG2 ILE A  21       0.407   8.744   2.704  1.00  1.890          C  
ATOM    304  CD1 ILE A  21      -1.417  10.240   4.860  1.00  1.890          C  
ATOM    305  H   ILE A  21       0.729  11.722   1.812  1.00  1.510          H  
ATOM    306  HA  ILE A  21      -0.478   9.489   0.272  1.00  1.670          H  
ATOM    307  HB  ILE A  21      -1.726   9.017   2.391  1.00  2.270          H  
ATOM    308 1HG1 ILE A  21      -0.080  11.305   3.633  1.00  2.270          H  
ATOM    309 2HG1 ILE A  21      -1.794  11.439   3.228  1.00  2.270          H  
ATOM    310 1HG2 ILE A  21       0.291   8.255   3.659  1.00  2.270          H  
ATOM    311 2HG2 ILE A  21       0.501   7.992   1.934  1.00  2.270          H  
ATOM    312 3HG2 ILE A  21       1.311   9.354   2.716  1.00  2.270          H  
ATOM    313 1HD1 ILE A  21      -1.526  11.074   5.548  1.00  2.270          H  
ATOM    314 2HD1 ILE A  21      -2.343   9.729   4.771  1.00  2.270          H  
ATOM    315 3HD1 ILE A  21      -0.694   9.581   5.229  1.00  2.270          H  
ATOM    316  N   ALA A  22      -2.662  10.515  -0.357  1.00  1.740          N  
ATOM    317  CA  ALA A  22      -3.886  11.148  -0.858  1.00  1.900          C  
ATOM    318  C   ALA A  22      -5.072  10.950   0.089  1.00  1.730          C  
ATOM    319  O   ALA A  22      -6.140  11.526  -0.108  1.00  2.060          O  
ATOM    320  CB  ALA A  22      -4.233  10.588  -2.227  1.00  2.600          C  
ATOM    321  H   ALA A  22      -2.370   9.636  -0.757  1.00  2.090          H  
ATOM    322  HA  ALA A  22      -3.701  12.219  -0.944  1.00  2.280          H  
ATOM    323 1HB  ALA A  22      -5.125  11.086  -2.607  1.00  3.120          H  
ATOM    324 2HB  ALA A  22      -3.399  10.759  -2.908  1.00  3.120          H  
ATOM    325 3HB  ALA A  22      -4.423   9.521  -2.144  1.00  3.120          H  
ATOM    326  N   GLU A  23      -4.875  10.120   1.096  1.00  1.860          N  
ATOM    327  CA  GLU A  23      -5.894   9.799   2.078  1.00  1.820          C  
ATOM    328  C   GLU A  23      -5.185   9.578   3.411  1.00  1.780          C  
ATOM    329  O   GLU A  23      -4.133   8.952   3.412  1.00  2.350          O  
ATOM    330  CB  GLU A  23      -6.644   8.530   1.668  1.00  2.560          C  
ATOM    331  CG  GLU A  23      -7.814   8.187   2.567  1.00  2.560          C  
ATOM    332  CD  GLU A  23      -8.590   7.010   2.121  1.00  2.560          C  
ATOM    333  OE1 GLU A  23      -8.148   6.293   1.253  1.00  2.560          O  
ATOM    334  OE2 GLU A  23      -9.665   6.825   2.634  1.00  2.560          O  
ATOM    335  H   GLU A  23      -3.964   9.692   1.166  1.00  2.230          H  
ATOM    336  HA  GLU A  23      -6.606  10.619   2.119  1.00  2.180          H  
ATOM    337 1HB  GLU A  23      -7.022   8.644   0.653  1.00  3.080          H  
ATOM    338 2HB  GLU A  23      -5.956   7.679   1.672  1.00  3.080          H  
ATOM    339 1HG  GLU A  23      -7.451   7.993   3.577  1.00  3.080          H  
ATOM    340 2HG  GLU A  23      -8.481   9.045   2.609  1.00  3.080          H  
ATOM    341  N   PRO A  24      -5.687  10.102   4.549  1.00  1.950          N  
ATOM    342  CA  PRO A  24      -5.146   9.855   5.876  1.00  2.530          C  
ATOM    343  C   PRO A  24      -5.079   8.362   6.131  1.00  2.160          C  
ATOM    344  O   PRO A  24      -6.037   7.650   5.839  1.00  2.480          O  
ATOM    345  CB  PRO A  24      -6.174  10.539   6.785  1.00  3.790          C  
ATOM    346  CG  PRO A  24      -6.756  11.643   5.927  1.00  3.790          C  
ATOM    347  CD  PRO A  24      -6.815  11.058   4.528  1.00  3.790          C  
ATOM    348  HA  PRO A  24      -4.164  10.323   5.975  1.00  3.040          H  
ATOM    349 1HB  PRO A  24      -6.928   9.808   7.113  1.00  4.550          H  
ATOM    350 2HB  PRO A  24      -5.680  10.917   7.695  1.00  4.550          H  
ATOM    351 1HG  PRO A  24      -7.750  11.934   6.307  1.00  4.550          H  
ATOM    352 2HG  PRO A  24      -6.122  12.538   5.986  1.00  4.550          H  
ATOM    353 1HD  PRO A  24      -7.771  10.541   4.358  1.00  4.550          H  
ATOM    354 2HD  PRO A  24      -6.637  11.883   3.820  1.00  4.550          H  
ATOM    355  N   ILE A  25      -3.986   7.892   6.713  1.00  2.180          N  
ATOM    356  CA  ILE A  25      -3.838   6.468   6.973  1.00  2.370          C  
ATOM    357  C   ILE A  25      -3.865   6.164   8.456  1.00  2.060          C  
ATOM    358  O   ILE A  25      -3.021   6.633   9.226  1.00  2.340          O  
ATOM    359  CB  ILE A  25      -2.528   5.944   6.354  1.00  3.240          C  
ATOM    360  CG1 ILE A  25      -2.485   6.283   4.803  1.00  3.240          C  
ATOM    361  CG2 ILE A  25      -2.349   4.410   6.639  1.00  3.240          C  
ATOM    362  CD1 ILE A  25      -3.612   5.667   3.918  1.00  3.240          C  
ATOM    363  H   ILE A  25      -3.235   8.527   6.954  1.00  2.620          H  
ATOM    364  HA  ILE A  25      -4.676   5.936   6.524  1.00  2.840          H  
ATOM    365  HB  ILE A  25      -1.701   6.475   6.803  1.00  3.890          H  
ATOM    366 1HG1 ILE A  25      -2.547   7.360   4.694  1.00  3.890          H  
ATOM    367 2HG1 ILE A  25      -1.531   5.970   4.418  1.00  3.890          H  
ATOM    368 1HG2 ILE A  25      -1.423   4.059   6.230  1.00  3.890          H  
ATOM    369 2HG2 ILE A  25      -2.338   4.229   7.705  1.00  3.890          H  
ATOM    370 3HG2 ILE A  25      -3.169   3.842   6.193  1.00  3.890          H  
ATOM    371 1HD1 ILE A  25      -3.475   5.987   2.891  1.00  3.890          H  
ATOM    372 2HD1 ILE A  25      -3.580   4.574   3.959  1.00  3.890          H  
ATOM    373 3HD1 ILE A  25      -4.587   6.009   4.253  1.00  3.890          H  
ATOM    374  N   ASN A  26      -4.797   5.321   8.875  1.00  2.180          N  
ATOM    375  CA  ASN A  26      -4.905   4.987  10.290  1.00  2.610          C  
ATOM    376  C   ASN A  26      -3.901   3.897  10.644  1.00  2.630          C  
ATOM    377  O   ASN A  26      -4.268   2.754  10.906  1.00  3.170          O  
ATOM    378  CB  ASN A  26      -6.317   4.562  10.641  1.00  3.480          C  
ATOM    379  CG  ASN A  26      -6.540   4.487  12.121  1.00  3.480          C  
ATOM    380  OD1 ASN A  26      -5.765   5.057  12.894  1.00  3.480          O  
ATOM    381  ND2 ASN A  26      -7.581   3.803  12.533  1.00  3.480          N  
ATOM    382  H   ASN A  26      -5.454   4.941   8.202  1.00  2.620          H  
ATOM    383  HA  ASN A  26      -4.651   5.871  10.878  1.00  3.130          H  
ATOM    384 1HB  ASN A  26      -7.026   5.275  10.215  1.00  4.180          H  
ATOM    385 2HB  ASN A  26      -6.530   3.589  10.201  1.00  4.180          H  
ATOM    386 1HD2 ASN A  26      -7.772   3.725  13.513  1.00  4.180          H  
ATOM    387 2HD2 ASN A  26      -8.181   3.359  11.870  1.00  4.180          H  
ATOM    388  N   LEU A  27      -2.629   4.279  10.614  1.00  2.660          N  
ATOM    389  CA  LEU A  27      -1.507   3.377  10.839  1.00  3.270          C  
ATOM    390  C   LEU A  27      -1.414   2.888  12.285  1.00  3.390          C  
ATOM    391  O   LEU A  27      -1.030   1.742  12.530  1.00  3.770          O  
ATOM    392  CB  LEU A  27      -0.183   4.075  10.477  1.00  4.330          C  
ATOM    393  CG  LEU A  27       1.138   3.205  10.558  1.00  4.330          C  
ATOM    394  CD1 LEU A  27       1.052   2.013   9.580  1.00  4.330          C  
ATOM    395  CD2 LEU A  27       2.352   4.092  10.246  1.00  4.330          C  
ATOM    396  H   LEU A  27      -2.472   5.258  10.364  1.00  3.190          H  
ATOM    397  HA  LEU A  27      -1.655   2.515  10.194  1.00  3.920          H  
ATOM    398 1HB  LEU A  27      -0.267   4.454   9.461  1.00  5.200          H  
ATOM    399 2HB  LEU A  27      -0.054   4.925  11.145  1.00  5.200          H  
ATOM    400  HG  LEU A  27       1.248   2.796  11.557  1.00  5.200          H  
ATOM    401 1HD1 LEU A  27       1.969   1.425   9.652  1.00  5.200          H  
ATOM    402 2HD1 LEU A  27       0.211   1.374   9.824  1.00  5.200          H  
ATOM    403 3HD1 LEU A  27       0.947   2.386   8.575  1.00  5.200          H  
ATOM    404 1HD2 LEU A  27       3.263   3.498  10.314  1.00  5.200          H  
ATOM    405 2HD2 LEU A  27       2.261   4.483   9.246  1.00  5.200          H  
ATOM    406 3HD2 LEU A  27       2.401   4.914  10.959  1.00  5.200          H  
ATOM    407  N   ILE A  28      -1.678   3.787  13.233  1.00  3.640          N  
ATOM    408  CA  ILE A  28      -1.544   3.489  14.653  1.00  4.220          C  
ATOM    409  C   ILE A  28      -2.806   3.853  15.418  1.00  4.880          C  
ATOM    410  O   ILE A  28      -3.213   3.101  16.303  1.00  5.400          O  
ATOM    411  OXT ILE A  28      -3.088   5.049  15.478  1.00  6.330          O  
ATOM    412  CB  ILE A  28      -0.346   4.255  15.270  1.00  5.350          C  
ATOM    413  CG1 ILE A  28       0.964   3.842  14.541  1.00  5.350          C  
ATOM    414  CG2 ILE A  28      -0.276   3.975  16.783  1.00  5.350          C  
ATOM    415  CD1 ILE A  28       2.189   4.664  14.888  1.00  5.350          C  
ATOM    416  H   ILE A  28      -2.008   4.699  12.950  1.00  4.370          H  
ATOM    417  HA  ILE A  28      -1.375   2.419  14.770  1.00  5.060          H  
ATOM    418  HB  ILE A  28      -0.483   5.322  15.110  1.00  6.420          H  
ATOM    419 1HG1 ILE A  28       1.165   2.796  14.755  1.00  6.420          H  
ATOM    420 2HG1 ILE A  28       0.817   3.952  13.491  1.00  6.420          H  
ATOM    421 1HG2 ILE A  28       0.545   4.517  17.230  1.00  6.420          H  
ATOM    422 2HG2 ILE A  28      -1.201   4.296  17.261  1.00  6.420          H  
ATOM    423 3HG2 ILE A  28      -0.141   2.908  16.948  1.00  6.420          H  
ATOM    424 1HD1 ILE A  28       3.037   4.301  14.309  1.00  6.420          H  
ATOM    425 2HD1 ILE A  28       2.006   5.711  14.643  1.00  6.420          H  
ATOM    426 3HD1 ILE A  28       2.421   4.575  15.944  1.00  6.420          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 -109.951 10.1688 87.4456 -9.82751 3.9344 8.5095 39.695 -46.7632 -0.36598 -1.9644 -30.1294 -13.7305 -9.07994 -1.21021 -5.42663 -2.50301 0 -0.21565 1.72064 12.5763 20.7953 -7.24731 7.60267 -15.9022 -5.15814 13.1998 -53.8275
SER:NtermProteinFull_1 -4.06799 0.08806 5.53073 -0.02544 0 0.04876 2.54652 -2.59081 -0.05982 -0.20383 -1.76489 -1.80996 0 0 -0.5167 0 0 0.06788 0.00021 0.26979 0 0 0.62651 -0.77834 0 0.11942 -2.5199
ASP_2 -4.55613 0.2818 6.36754 -0.109 0.00475 0.35799 2.26658 -2.54704 -0.00334 -0.0552 -4.83993 0.07702 0 0 -1.06775 -0.53218 0 -0.01004 0.11461 0 3.32676 -0.13494 0 -2.3716 -0.08265 0.25144 -3.2613
GLU_3 -2.24224 0.04935 3.30549 -0.46803 0.27787 1.4737 0.63876 -1.33622 -0.02596 -0.13917 -0.84743 -2.97154 0 0 0 0 0 -0.02494 0.01927 0 4.03077 -0.31562 0 -2.7348 -0.34199 0.18267 -1.47005
ASP_4 -2.60891 0.0857 4.17661 -0.20234 0.02487 0.65761 1.62772 -1.87291 -0.02596 -0.13917 -0.41465 -1.05915 0 0 -0.5167 0 0 -0.03137 0.07719 0 1.99051 -0.66235 0 -2.3716 -0.0932 0.21799 -1.14009
LEU_5 -4.74187 0.48526 1.42419 -0.49899 0.2729 0.10005 1.12835 -1.50718 -0 -0 0.16733 0.31738 0 0 0 0 0 -0.06133 0.48783 0.61488 0 -0.09703 0 0.18072 -0.15259 0.30889 -1.57121
SER_6 -3.20097 0.21659 3.76368 -0.02757 0 0.04808 1.26756 -1.73097 -0.05982 -0.20383 -0.45794 -0.99574 0 0 0 0 0 0.23135 0.02147 0.45736 0 -0.12041 0.64108 -0.77834 -0.22687 0.28959 -0.86568
THR_7 -2.48142 0.09352 2.68535 -0.20331 0.1416 0.07485 1.10096 -1.2066 -0.00055 -0.01165 -1.38949 -0.98115 0 0 0 -0.71932 0 0.01083 0.06458 0.0841 0 0.09372 4.08669 -1.0874 0.31613 0.39231 1.06377
GLU_8 -2.24307 0.17037 1.96439 -0.24103 0.06164 0.40277 0.29863 -0.92018 -0 -0 -0.11312 -0.53261 0 0 0 0 0 -0.04222 0.00413 0 2.92164 0.07511 0 -2.7348 0.05813 0.4698 -0.40042
GLN_9 -4.11917 0.49139 4.17435 -0.63021 0.14874 0.63531 1.30834 -1.84487 -0 -0 -0.42871 -0.71777 0 0 0 0 0 0.47783 0.03016 0 2.08119 -0.02523 0 -0.18838 -0.30319 0.97365 2.06343
PRO_10 -2.51991 0.43913 1.19602 -0.13281 0.0018 0.09713 0.40182 -0.71638 -0.00334 -0.0552 -0.84301 0.20244 0 0 0 0 0 -0.0047 0.01558 0.23043 0 -0.95813 0 -2.4119 -0.55526 1.00307 -4.61325
VAL_11 -6.84651 0.87266 1.24382 -0.24112 0.12186 0.04617 1.6046 -1.84393 -0 -0 -0.72986 -0.33544 0 0 0 0 0 0.045 0.00059 0.54549 0 -0.59489 0 1.9342 -0.52773 0.63319 -4.0719
HIS_12 -5.134 0.34331 6.25144 -0.46988 0.02283 0.32188 3.90118 -2.88378 -0.00662 -0.07188 -5.37919 -0.94254 0 0 -2.19661 0 0 -0.03718 0.23139 0 1.51136 -0.07372 0 -0.45461 -0.38317 0.51447 -4.93532
GLY_13 -4.10883 0.31153 4.22626 -4e-05 0 0 2.12656 -2.16878 -0 -0 -1.42226 -0.4235 0 0 0 0 0 -0.16516 0 0 0 0.37062 0 0.83697 -0.11284 0.19261 -0.33685
GLY_14 -3.89918 0.32816 4.28101 -5e-05 0 0 1.88884 -2.13266 -0 -0 -1.20166 -0.41578 0 0 -1.12887 0 0 -0.06549 0 0 0 0.4986 0 0.83697 0.20127 0.17764 -0.6312
ARG_15 -7.75759 0.49847 8.04491 -1.51892 0.28005 1.50689 3.52293 -3.57466 -0.00978 -0.0384 -3.97296 0.10993 0 0 0 -0.53218 0 -0.02372 0.32972 3.12715 0 -0.08294 0 -1.2888 0.17317 0.64182 -0.56492
ILE_16 -7.67986 0.76137 3.42144 -0.49088 0.31974 0.0925 1.97811 -2.45059 -0 -0 -1.07405 0.22516 0 0 0 0 0 -0.03704 0.03385 0.48843 0 -0.43027 0 0.73287 0.18583 0.79706 -3.12633
ARG_17 -4.10574 0.23711 4.03714 -0.6877 0.10836 0.47762 1.78518 -1.97782 -0.00662 -0.07188 -1.57267 0.60807 0 0 0 0 0 -0.05179 0.00867 1.62845 0 -0.08387 0 -1.2888 -0.12124 0.56113 -0.51642
LEU_18 -3.47552 0.38943 3.0234 -0.51193 0.24992 0.15064 1.37936 -1.62184 -0.03042 -0.12501 -0.50885 0.05167 0 0 0 0 0 -0.05083 0.01005 0.27855 0 -0.08903 0 0.18072 -0.36642 0.42924 -0.63688
GLY_19 -1.95305 0.16313 2.38044 -5e-05 0 0 1.09678 -1.22424 -0 -0 -0.20153 -0.40017 0 0 0 0 0 -0.15765 0 0 0 -1.16639 0 0.83697 -0.55727 0.32811 -0.85493
THR_20 -3.24298 0.22658 2.93016 -0.13549 0.10352 0.08283 1.05136 -1.52995 -0.03371 -0.1349 -0.83376 -1.10686 0 0 0 0 0 -0.05751 0.15034 0.01249 0 -0.22167 2.2484 -1.0874 -0.61685 0.32047 -1.87491
ILE_21 -6.89853 0.85707 1.44012 -0.58596 0.65216 0.19611 1.18017 -1.72179 -0.00978 -0.0384 0.76956 -0.23142 0 0 0 0 0 -0.07716 0.00411 2.33095 0 -0.57555 0 0.73287 -0.46065 0.43932 -1.9968
ALA_22 -1.38817 0.16379 0.73825 -0.02651 0.00234 0 0.33443 -0.53849 -0.00329 -0.00989 0.21369 -0.41325 0 0 0 0 0 -0.05228 0 0 0 -0.00847 0 1.8394 -0.51654 0.36976 0.70475
GLU_23 -4.49074 0.66854 4.20627 -0.26863 0.03616 0.31871 2.10994 -1.9631 -0 -0 -1.83214 -0.30032 0 0 0 -0.71932 0 0.07567 0.01589 0 3.10964 -0.16737 0 -2.7348 0.22047 0.92305 -0.79207
PRO_24 -2.32019 0.49971 1.00864 -0.125 0.00505 0.09177 0.17288 -0.57026 -0.011 -0.0451 -0.32166 0.2114 0 0 0 0 0 -0.10913 0.02276 0.12877 0 -0.90869 0 -2.4119 0.17671 1.01902 -3.48621
ILE_25 -6.57948 0.68528 1.15107 -0.60646 0.34961 0.12033 1.50174 -1.57924 -0.01348 -0.17998 -1.2507 0.16232 0 0 0 0 0 -0.04543 0.00192 1.02964 0 -0.76127 0 0.73287 -0.5927 0.45751 -5.41648
ASN_26 -1.40522 0.05465 1.50611 -0.34375 0.078 0.67346 0.09208 -0.78926 -0.03778 -0.26884 0.63538 -0.79901 0 0 0 0 0 0.00316 0.01998 0 1.82342 -0.53925 0 -0.93687 -0.25148 0.41314 -0.07207
LEU_27 -4.28759 0.51537 1.54876 -0.69187 0.24457 0.2836 1.35548 -1.28177 -0 -0 -0.69182 0.0579 0 0 0 0 0 -0.02238 0.0554 1.009 0 -0.2683 0 0.18072 -0.11865 0.28875 -1.82283
ILE:CtermProteinFull_28 -1.59664 0.1915 1.41801 -0.58452 0.42607 0.25075 0.02817 -0.63794 -0.02472 -0.17209 0.17692 -1.31752 0 0 0 0 0 0 0.00091 0.34084 0 0 0 0.73287 -0.10858 0.48465 -0.39133
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 699803 DOMAINID 690196 MODEL 2 LI0649-2
MODEL     2
REMARK    Rerank model05.pdb to model02.pdb score: 8.404
REMARK    S_0000_0001
REMARK    SCORE            time:           0.000
REMARK    SCORE     cart_bonded:          16.746
REMARK    SCORE        hbond_sc:          -1.629
REMARK    SCORE         p_aa_pp:         -11.159
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE         fa_elec:         -39.717
REMARK    SCORE fa_intra_sol_xover4:           5.960
REMARK    SCORE           omega:          -1.029
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE     rama_prepro:          -4.442
REMARK    SCORE     hbond_lr_bb:          -4.404
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE     hbond_sr_bb:         -11.971
REMARK    SCORE          fa_rep:          15.819
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE          fa_atr:        -129.112
REMARK    SCORE    fa_intra_rep:           0.246
REMARK    SCORE     description: best_scoring0001_0001_0001
REMARK    SCORE          fa_sol:          81.187
REMARK    SCORE     total_score:         -58.743
REMARK    SCORE     lk_ball_wtd:          -6.188
REMARK    SCORE             ref:           3.253
REMARK    SCORE          fa_dun:          30.948
REMARK    SCORE     hbond_bb_sc:          -3.251
REMARK    SCORE           score:         -58.743
ATOM      1  N   SER A   1      -0.194   0.031   0.637  1.00  4.33           N  
ATOM      2  CA  SER A   1       1.244  -0.116   0.442  1.00  3.95           C  
ATOM      3  C   SER A   1       1.926   1.243   0.307  1.00  3.11           C  
ATOM      4  O   SER A   1       1.274   2.285   0.387  1.00  3.05           O  
ATOM      5  CB  SER A   1       1.499  -0.983  -0.769  1.00  5.68           C  
ATOM      6  OG  SER A   1       0.992  -2.267  -0.557  1.00  5.68           O  
ATOM      7 1H   SER A   1      -0.586  -0.867   0.876  1.00  5.20           H  
ATOM      8 2H   SER A   1      -0.380   0.695   1.373  1.00  5.20           H  
ATOM      9 3H   SER A   1      -0.617   0.356  -0.232  1.00  5.20           H  
ATOM     10  HA  SER A   1       1.661  -0.616   1.317  1.00  4.74           H  
ATOM     11 1HB  SER A   1       1.025  -0.541  -1.643  1.00  6.82           H  
ATOM     12 2HB  SER A   1       2.567  -1.039  -0.974  1.00  6.82           H  
ATOM     13  HG  SER A   1       1.195  -2.769  -1.356  1.00  6.82           H  
ATOM     14  N   ASP A   2       3.244   1.241   0.100  1.00  2.99           N  
ATOM     15  CA  ASP A   2       3.976   2.500  -0.019  1.00  2.74           C  
ATOM     16  C   ASP A   2       3.987   2.984  -1.471  1.00  2.40           C  
ATOM     17  O   ASP A   2       3.886   4.171  -1.752  1.00  2.70           O  
ATOM     18  CB  ASP A   2       5.410   2.293   0.455  1.00  3.94           C  
ATOM     19  CG  ASP A   2       5.502   1.867   1.916  1.00  3.94           C  
ATOM     20  OD1 ASP A   2       5.061   2.576   2.782  1.00  3.94           O  
ATOM     21  OD2 ASP A   2       5.995   0.788   2.143  1.00  3.94           O  
ATOM     22  H   ASP A   2       3.754   0.364   0.062  1.00  3.59           H  
ATOM     23  HA  ASP A   2       3.494   3.257   0.601  1.00  3.29           H  
ATOM     24 1HB  ASP A   2       5.896   1.537  -0.170  1.00  4.73           H  
ATOM     25 2HB  ASP A   2       5.975   3.225   0.322  1.00  4.73           H  
ATOM     26  N   GLU A   3       4.028   2.062  -2.434  1.00  2.40           N  
ATOM     27  CA  GLU A   3       4.055   2.457  -3.845  1.00  2.73           C  
ATOM     28  C   GLU A   3       2.792   3.236  -4.210  1.00  2.41           C  
ATOM     29  O   GLU A   3       2.820   4.156  -5.038  1.00  2.87           O  
ATOM     30  CB  GLU A   3       4.211   1.226  -4.738  1.00  3.69           C  
ATOM     31  CG  GLU A   3       5.552   0.507  -4.568  1.00  3.69           C  
ATOM     32  CD  GLU A   3       5.571  -0.429  -3.383  1.00  3.69           C  
ATOM     33  OE1 GLU A   3       4.566  -0.507  -2.696  1.00  3.69           O  
ATOM     34  OE2 GLU A   3       6.572  -1.060  -3.158  1.00  3.69           O  
ATOM     35  H   GLU A   3       4.102   1.072  -2.198  1.00  2.88           H  
ATOM     36  HA  GLU A   3       4.913   3.109  -3.993  1.00  3.28           H  
ATOM     37 1HB  GLU A   3       3.407   0.518  -4.532  1.00  4.43           H  
ATOM     38 2HB  GLU A   3       4.124   1.526  -5.783  1.00  4.43           H  
ATOM     39 1HG  GLU A   3       5.766  -0.060  -5.473  1.00  4.43           H  
ATOM     40 2HG  GLU A   3       6.337   1.257  -4.446  1.00  4.43           H  
ATOM     41  N   ASP A   4       1.699   2.894  -3.514  1.00  2.20           N  
ATOM     42  CA  ASP A   4       0.352   3.443  -3.647  1.00  2.48           C  
ATOM     43  C   ASP A   4       0.327   4.947  -3.429  1.00  2.09           C  
ATOM     44  O   ASP A   4      -0.569   5.641  -3.906  1.00  2.45           O  
ATOM     45  CB  ASP A   4      -0.568   2.812  -2.601  1.00  3.36           C  
ATOM     46  CG  ASP A   4      -0.865   1.331  -2.833  1.00  3.36           C  
ATOM     47  OD1 ASP A   4      -0.629   0.838  -3.906  1.00  3.36           O  
ATOM     48  OD2 ASP A   4      -1.263   0.677  -1.883  1.00  3.36           O  
ATOM     49  H   ASP A   4       1.799   2.100  -2.895  1.00  2.64           H  
ATOM     50  HA  ASP A   4      -0.018   3.226  -4.650  1.00  2.98           H  
ATOM     51 1HB  ASP A   4      -0.120   2.934  -1.616  1.00  4.03           H  
ATOM     52 2HB  ASP A   4      -1.518   3.355  -2.588  1.00  4.03           H  
ATOM     53  N   LEU A   5       1.332   5.476  -2.741  1.00  1.81           N  
ATOM     54  CA  LEU A   5       1.411   6.895  -2.476  1.00  1.81           C  
ATOM     55  C   LEU A   5       1.423   7.663  -3.796  1.00  1.77           C  
ATOM     56  O   LEU A   5       0.772   8.706  -3.948  1.00  2.23           O  
ATOM     57  CB  LEU A   5       2.725   7.163  -1.718  1.00  2.53           C  
ATOM     58  CG  LEU A   5       2.862   6.694  -0.235  1.00  2.53           C  
ATOM     59  CD1 LEU A   5       4.320   6.803   0.160  1.00  2.53           C  
ATOM     60  CD2 LEU A   5       2.042   7.594   0.689  1.00  2.53           C  
ATOM     61  H   LEU A   5       2.085   4.876  -2.395  1.00  2.17           H  
ATOM     62  HA  LEU A   5       0.547   7.197  -1.891  1.00  2.17           H  
ATOM     63 1HB  LEU A   5       3.528   6.677  -2.273  1.00  3.04           H  
ATOM     64 2HB  LEU A   5       2.913   8.178  -1.733  1.00  3.04           H  
ATOM     65  HG  LEU A   5       2.534   5.660  -0.134  1.00  3.04           H  
ATOM     66 1HD1 LEU A   5       4.455   6.489   1.181  1.00  3.04           H  
ATOM     67 2HD1 LEU A   5       4.921   6.163  -0.488  1.00  3.04           H  
ATOM     68 3HD1 LEU A   5       4.646   7.826   0.053  1.00  3.04           H  
ATOM     69 1HD2 LEU A   5       2.169   7.264   1.716  1.00  3.04           H  
ATOM     70 2HD2 LEU A   5       2.379   8.621   0.602  1.00  3.04           H  
ATOM     71 3HD2 LEU A   5       1.003   7.532   0.425  1.00  3.04           H  
ATOM     72  N   SER A   6       2.090   7.101  -4.809  1.00  1.71           N  
ATOM     73  CA  SER A   6       2.256   7.744  -6.108  1.00  1.92           C  
ATOM     74  C   SER A   6       0.974   8.005  -6.883  1.00  1.78           C  
ATOM     75  O   SER A   6       0.988   8.799  -7.828  1.00  2.05           O  
ATOM     76  CB  SER A   6       3.206   6.943  -6.966  1.00  2.61           C  
ATOM     77  OG  SER A   6       2.672   5.685  -7.289  1.00  2.61           O  
ATOM     78  H   SER A   6       2.538   6.192  -4.682  1.00  2.05           H  
ATOM     79  HA  SER A   6       2.718   8.705  -5.940  1.00  2.30           H  
ATOM     80 1HB  SER A   6       3.403   7.495  -7.882  1.00  3.13           H  
ATOM     81 2HB  SER A   6       4.144   6.837  -6.452  1.00  3.13           H  
ATOM     82  HG  SER A   6       2.782   5.122  -6.491  1.00  3.13           H  
ATOM     83  N   THR A   7      -0.132   7.352  -6.526  1.00  1.89           N  
ATOM     84  CA  THR A   7      -1.368   7.578  -7.254  1.00  2.19           C  
ATOM     85  C   THR A   7      -2.421   8.262  -6.389  1.00  1.90           C  
ATOM     86  O   THR A   7      -3.558   8.441  -6.836  1.00  2.28           O  
ATOM     87  CB  THR A   7      -1.946   6.260  -7.812  1.00  2.94           C  
ATOM     88  OG1 THR A   7      -2.259   5.360  -6.739  1.00  2.94           O  
ATOM     89  CG2 THR A   7      -0.912   5.607  -8.717  1.00  2.94           C  
ATOM     90  H   THR A   7      -0.133   6.704  -5.731  1.00  2.27           H  
ATOM     91  HA  THR A   7      -1.161   8.232  -8.097  1.00  2.63           H  
ATOM     92  HB  THR A   7      -2.851   6.468  -8.382  1.00  3.53           H  
ATOM     93  HG1 THR A   7      -3.038   5.685  -6.265  1.00  3.53           H  
ATOM     94 1HG2 THR A   7      -1.314   4.679  -9.117  1.00  3.53           H  
ATOM     95 2HG2 THR A   7      -0.670   6.283  -9.535  1.00  3.53           H  
ATOM     96 3HG2 THR A   7      -0.009   5.392  -8.148  1.00  3.53           H  
ATOM     97  N   GLU A   8      -2.087   8.575  -5.129  1.00  1.61           N  
ATOM     98  CA  GLU A   8      -3.084   9.171  -4.239  1.00  1.76           C  
ATOM     99  C   GLU A   8      -2.674  10.440  -3.464  1.00  1.57           C  
ATOM    100  O   GLU A   8      -3.535  11.274  -3.170  1.00  1.96           O  
ATOM    101  CB  GLU A   8      -3.580   8.156  -3.215  1.00  2.40           C  
ATOM    102  CG  GLU A   8      -4.318   6.949  -3.728  1.00  2.40           C  
ATOM    103  CD  GLU A   8      -4.852   6.064  -2.576  1.00  2.40           C  
ATOM    104  OE1 GLU A   8      -4.617   6.378  -1.408  1.00  2.40           O  
ATOM    105  OE2 GLU A   8      -5.512   5.090  -2.873  1.00  2.40           O  
ATOM    106  H   GLU A   8      -1.124   8.448  -4.811  1.00  1.93           H  
ATOM    107  HA  GLU A   8      -3.939   9.448  -4.852  1.00  2.11           H  
ATOM    108 1HB  GLU A   8      -2.729   7.785  -2.651  1.00  2.88           H  
ATOM    109 2HB  GLU A   8      -4.257   8.659  -2.543  1.00  2.88           H  
ATOM    110 1HG  GLU A   8      -5.146   7.271  -4.356  1.00  2.88           H  
ATOM    111 2HG  GLU A   8      -3.634   6.362  -4.338  1.00  2.88           H  
ATOM    112  N   GLN A   9      -1.398  10.583  -3.081  1.00  1.36           N  
ATOM    113  CA  GLN A   9      -1.015  11.693  -2.206  1.00  1.48           C  
ATOM    114  C   GLN A   9      -0.003  12.667  -2.842  1.00  1.38           C  
ATOM    115  O   GLN A   9       0.705  12.302  -3.779  1.00  1.52           O  
ATOM    116  CB  GLN A   9      -0.493  11.121  -0.868  1.00  2.03           C  
ATOM    117  CG  GLN A   9      -1.578  10.551   0.068  1.00  2.03           C  
ATOM    118  CD  GLN A   9      -1.992   9.117  -0.205  1.00  2.03           C  
ATOM    119  OE1 GLN A   9      -1.169   8.238  -0.440  1.00  2.03           O  
ATOM    120  NE2 GLN A   9      -3.295   8.870  -0.151  1.00  2.03           N  
ATOM    121  H   GLN A   9      -0.686   9.900  -3.355  1.00  1.63           H  
ATOM    122  HA  GLN A   9      -1.923  12.240  -1.988  1.00  1.78           H  
ATOM    123 1HB  GLN A   9       0.145  10.276  -1.093  1.00  2.44           H  
ATOM    124 2HB  GLN A   9       0.117  11.844  -0.329  1.00  2.44           H  
ATOM    125 1HG  GLN A   9      -1.212  10.615   1.087  1.00  2.44           H  
ATOM    126 2HG  GLN A   9      -2.467  11.169  -0.037  1.00  2.44           H  
ATOM    127 1HE2 GLN A   9      -3.665   7.917  -0.340  1.00  2.44           H  
ATOM    128 2HE2 GLN A   9      -3.939   9.608   0.046  1.00  2.44           H  
ATOM    129  N   PRO A  10       0.031  13.941  -2.385  1.00  1.63           N  
ATOM    130  CA  PRO A  10       0.954  14.992  -2.794  1.00  1.88           C  
ATOM    131  C   PRO A  10       2.362  14.772  -2.284  1.00  1.80           C  
ATOM    132  O   PRO A  10       2.563  14.095  -1.262  1.00  2.05           O  
ATOM    133  CB  PRO A  10       0.334  16.248  -2.185  1.00  2.82           C  
ATOM    134  CG  PRO A  10      -0.433  15.759  -0.987  1.00  2.82           C  
ATOM    135  CD  PRO A  10      -0.975  14.407  -1.390  1.00  2.82           C  
ATOM    136  HA  PRO A  10       0.955  15.053  -3.892  1.00  2.26           H  
ATOM    137 1HB  PRO A  10       1.134  16.960  -1.909  1.00  3.38           H  
ATOM    138 2HB  PRO A  10      -0.302  16.753  -2.924  1.00  3.38           H  
ATOM    139 1HG  PRO A  10       0.241  15.695  -0.112  1.00  3.38           H  
ATOM    140 2HG  PRO A  10      -1.222  16.479  -0.720  1.00  3.38           H  
ATOM    141 1HD  PRO A  10      -1.005  13.788  -0.494  1.00  3.38           H  
ATOM    142 2HD  PRO A  10      -1.968  14.523  -1.857  1.00  3.38           H  
ATOM    143  N   VAL A  11       3.314  15.403  -2.973  1.00  1.84           N  
ATOM    144  CA  VAL A  11       4.721  15.335  -2.613  1.00  1.98           C  
ATOM    145  C   VAL A  11       5.202  16.610  -1.926  1.00  1.98           C  
ATOM    146  O   VAL A  11       5.033  17.716  -2.444  1.00  2.29           O  
ATOM    147  CB  VAL A  11       5.565  15.034  -3.891  1.00  2.71           C  
ATOM    148  CG1 VAL A  11       5.378  16.102  -4.968  1.00  2.71           C  
ATOM    149  CG2 VAL A  11       7.020  14.896  -3.535  1.00  2.71           C  
ATOM    150  H   VAL A  11       3.038  15.944  -3.778  1.00  2.21           H  
ATOM    151  HA  VAL A  11       4.853  14.518  -1.923  1.00  2.38           H  
ATOM    152  HB  VAL A  11       5.218  14.114  -4.311  1.00  3.25           H  
ATOM    153 1HG1 VAL A  11       5.960  15.822  -5.846  1.00  3.25           H  
ATOM    154 2HG1 VAL A  11       4.335  16.174  -5.245  1.00  3.25           H  
ATOM    155 3HG1 VAL A  11       5.723  17.069  -4.621  1.00  3.25           H  
ATOM    156 1HG2 VAL A  11       7.589  14.652  -4.426  1.00  3.25           H  
ATOM    157 2HG2 VAL A  11       7.397  15.824  -3.114  1.00  3.25           H  
ATOM    158 3HG2 VAL A  11       7.125  14.107  -2.825  1.00  3.25           H  
ATOM    159  N   HIS A  12       5.819  16.436  -0.762  1.00  2.07           N  
ATOM    160  CA  HIS A  12       6.337  17.542   0.030  1.00  2.36           C  
ATOM    161  C   HIS A  12       7.726  17.197   0.543  1.00  2.26           C  
ATOM    162  O   HIS A  12       7.933  16.131   1.118  1.00  2.42           O  
ATOM    163  CB  HIS A  12       5.429  17.825   1.231  1.00  3.19           C  
ATOM    164  CG  HIS A  12       4.017  18.207   0.895  1.00  3.19           C  
ATOM    165  ND1 HIS A  12       3.668  19.477   0.493  1.00  3.19           N  
ATOM    166  CD2 HIS A  12       2.867  17.491   0.929  1.00  3.19           C  
ATOM    167  CE1 HIS A  12       2.363  19.528   0.296  1.00  3.19           C  
ATOM    168  NE2 HIS A  12       1.849  18.346   0.572  1.00  3.19           N  
ATOM    169  H   HIS A  12       5.914  15.477  -0.417  1.00  2.48           H  
ATOM    170  HA  HIS A  12       6.405  18.439  -0.582  1.00  2.83           H  
ATOM    171 1HB  HIS A  12       5.392  16.938   1.863  1.00  3.83           H  
ATOM    172 2HB  HIS A  12       5.863  18.627   1.826  1.00  3.83           H  
ATOM    173  HD1 HIS A  12       4.296  20.147   0.096  1.00  3.83           H  
ATOM    174  HD2 HIS A  12       2.646  16.453   1.191  1.00  3.83           H  
ATOM    175  HE1 HIS A  12       1.889  20.454  -0.024  1.00  3.83           H  
ATOM    176  N   GLY A  13       8.709  18.061   0.298  1.00  2.33           N  
ATOM    177  CA  GLY A  13      10.059  17.765   0.784  1.00  2.48           C  
ATOM    178  C   GLY A  13      10.693  16.655  -0.049  1.00  1.90           C  
ATOM    179  O   GLY A  13      11.655  16.010   0.369  1.00  2.25           O  
ATOM    180  H   GLY A  13       8.516  18.929  -0.184  1.00  2.80           H  
ATOM    181 1HA  GLY A  13      10.673  18.664   0.731  1.00  2.98           H  
ATOM    182 2HA  GLY A  13      10.015  17.465   1.831  1.00  2.98           H  
ATOM    183  N   GLY A  14      10.112  16.408  -1.215  1.00  1.54           N  
ATOM    184  CA  GLY A  14      10.538  15.349  -2.108  1.00  1.74           C  
ATOM    185  C   GLY A  14       9.850  14.007  -1.837  1.00  1.48           C  
ATOM    186  O   GLY A  14      10.041  13.068  -2.615  1.00  1.56           O  
ATOM    187  H   GLY A  14       9.348  17.005  -1.490  1.00  1.85           H  
ATOM    188 1HA  GLY A  14      10.339  15.652  -3.137  1.00  2.09           H  
ATOM    189 2HA  GLY A  14      11.616  15.224  -2.023  1.00  2.09           H  
ATOM    190  N   ARG A  15       9.044  13.897  -0.768  1.00  1.39           N  
ATOM    191  CA  ARG A  15       8.411  12.613  -0.456  1.00  1.31           C  
ATOM    192  C   ARG A  15       6.903  12.668  -0.521  1.00  1.28           C  
ATOM    193  O   ARG A  15       6.278  13.668  -0.154  1.00  1.45           O  
ATOM    194  CB  ARG A  15       8.803  12.157   0.946  1.00  1.87           C  
ATOM    195  CG  ARG A  15      10.287  11.944   1.161  1.00  1.87           C  
ATOM    196  CD  ARG A  15      10.644  11.580   2.555  1.00  1.87           C  
ATOM    197  NE  ARG A  15      10.161  10.245   2.952  1.00  1.87           N  
ATOM    198  CZ  ARG A  15      10.446   9.656   4.145  1.00  1.87           C  
ATOM    199  NH1 ARG A  15      11.205  10.287   5.022  1.00  1.87           N  
ATOM    200  NH2 ARG A  15       9.976   8.451   4.448  1.00  1.87           N  
ATOM    201  H   ARG A  15       8.876  14.699  -0.148  1.00  1.67           H  
ATOM    202  HA  ARG A  15       8.733  11.874  -1.176  1.00  1.57           H  
ATOM    203 1HB  ARG A  15       8.459  12.892   1.672  1.00  2.24           H  
ATOM    204 2HB  ARG A  15       8.299  11.219   1.163  1.00  2.24           H  
ATOM    205 1HG  ARG A  15      10.624  11.158   0.540  1.00  2.24           H  
ATOM    206 2HG  ARG A  15      10.822  12.860   0.903  1.00  2.24           H  
ATOM    207 1HD  ARG A  15      11.729  11.594   2.646  1.00  2.24           H  
ATOM    208 2HD  ARG A  15      10.210  12.317   3.232  1.00  2.24           H  
ATOM    209  HE  ARG A  15       9.570   9.741   2.301  1.00  2.24           H  
ATOM    210 1HH1 ARG A  15      11.575  11.202   4.815  1.00  2.24           H  
ATOM    211 2HH1 ARG A  15      11.420   9.852   5.909  1.00  2.24           H  
ATOM    212 1HH2 ARG A  15       9.373   7.931   3.801  1.00  2.24           H  
ATOM    213 2HH2 ARG A  15      10.197   8.032   5.336  1.00  2.24           H  
ATOM    214  N   ILE A  16       6.298  11.590  -0.981  1.00  1.26           N  
ATOM    215  CA  ILE A  16       4.851  11.556  -0.995  1.00  1.38           C  
ATOM    216  C   ILE A  16       4.410  11.063   0.340  1.00  1.35           C  
ATOM    217  O   ILE A  16       4.999  10.123   0.860  1.00  1.35           O  
ATOM    218  CB  ILE A  16       4.264  10.746  -2.139  1.00  1.89           C  
ATOM    219  CG1 ILE A  16       4.651  11.396  -3.454  1.00  1.89           C  
ATOM    220  CG2 ILE A  16       2.767  10.757  -1.982  1.00  1.89           C  
ATOM    221  CD1 ILE A  16       4.346  10.583  -4.652  1.00  1.89           C  
ATOM    222  H   ILE A  16       6.852  10.775  -1.269  1.00  1.51           H  
ATOM    223  HA  ILE A  16       4.469  12.559  -1.100  1.00  1.66           H  
ATOM    224  HB  ILE A  16       4.652   9.731  -2.130  1.00  2.27           H  
ATOM    225 1HG1 ILE A  16       4.103  12.326  -3.539  1.00  2.27           H  
ATOM    226 2HG1 ILE A  16       5.717  11.612  -3.443  1.00  2.27           H  
ATOM    227 1HG2 ILE A  16       2.290  10.228  -2.772  1.00  2.27           H  
ATOM    228 2HG2 ILE A  16       2.476  10.306  -1.054  1.00  2.27           H  
ATOM    229 3HG2 ILE A  16       2.439  11.772  -1.998  1.00  2.27           H  
ATOM    230 1HD1 ILE A  16       4.632  11.126  -5.534  1.00  2.27           H  
ATOM    231 2HD1 ILE A  16       4.886   9.643  -4.607  1.00  2.27           H  
ATOM    232 3HD1 ILE A  16       3.287  10.401  -4.694  1.00  2.27           H  
ATOM    233  N   ARG A  17       3.455  11.762   0.956  1.00  1.49           N  
ATOM    234  CA  ARG A  17       3.073  11.356   2.308  1.00  1.66           C  
ATOM    235  C   ARG A  17       1.591  11.224   2.645  1.00  1.65           C  
ATOM    236  O   ARG A  17       0.773  12.116   2.401  1.00  1.83           O  
ATOM    237  CB  ARG A  17       3.709  12.325   3.291  1.00  2.26           C  
ATOM    238  CG  ARG A  17       3.454  12.064   4.778  1.00  2.26           C  
ATOM    239  CD  ARG A  17       4.325  12.940   5.600  1.00  2.26           C  
ATOM    240  NE  ARG A  17       4.062  12.826   7.034  1.00  2.26           N  
ATOM    241  CZ  ARG A  17       4.755  13.486   7.998  1.00  2.26           C  
ATOM    242  NH1 ARG A  17       5.762  14.279   7.669  1.00  2.26           N  
ATOM    243  NH2 ARG A  17       4.427  13.349   9.274  1.00  2.26           N  
ATOM    244  H   ARG A  17       3.022  12.548   0.453  1.00  1.79           H  
ATOM    245  HA  ARG A  17       3.517  10.382   2.482  1.00  1.99           H  
ATOM    246 1HB  ARG A  17       4.786  12.333   3.136  1.00  2.71           H  
ATOM    247 2HB  ARG A  17       3.347  13.328   3.077  1.00  2.71           H  
ATOM    248 1HG  ARG A  17       2.416  12.298   5.029  1.00  2.71           H  
ATOM    249 2HG  ARG A  17       3.654  11.022   5.036  1.00  2.71           H  
ATOM    250 1HD  ARG A  17       5.364  12.664   5.419  1.00  2.71           H  
ATOM    251 2HD  ARG A  17       4.163  13.974   5.303  1.00  2.71           H  
ATOM    252  HE  ARG A  17       3.281  12.217   7.329  1.00  2.71           H  
ATOM    253 1HH1 ARG A  17       6.022  14.396   6.703  1.00  2.71           H  
ATOM    254 2HH1 ARG A  17       6.275  14.771   8.388  1.00  2.71           H  
ATOM    255 1HH2 ARG A  17       3.648  12.764   9.547  1.00  2.71           H  
ATOM    256 2HH2 ARG A  17       4.943  13.844   9.983  1.00  2.71           H  
ATOM    257  N   LEU A  18       1.293  10.090   3.275  1.00  1.62           N  
ATOM    258  CA  LEU A  18      -0.006   9.701   3.807  1.00  1.85           C  
ATOM    259  C   LEU A  18       0.038   9.512   5.316  1.00  1.86           C  
ATOM    260  O   LEU A  18       0.492   8.473   5.801  1.00  2.07           O  
ATOM    261  CB  LEU A  18      -0.434   8.380   3.164  1.00  2.50           C  
ATOM    262  CG  LEU A  18      -1.725   7.706   3.668  1.00  2.50           C  
ATOM    263  CD1 LEU A  18      -2.932   8.615   3.479  1.00  2.50           C  
ATOM    264  CD2 LEU A  18      -1.888   6.403   2.889  1.00  2.50           C  
ATOM    265  H   LEU A  18       2.081   9.450   3.418  1.00  1.94           H  
ATOM    266  HA  LEU A  18      -0.720  10.487   3.569  1.00  2.22           H  
ATOM    267 1HB  LEU A  18      -0.534   8.536   2.111  1.00  3.00           H  
ATOM    268 2HB  LEU A  18       0.369   7.670   3.309  1.00  3.00           H  
ATOM    269  HG  LEU A  18      -1.637   7.477   4.730  1.00  3.00           H  
ATOM    270 1HD1 LEU A  18      -3.825   8.102   3.833  1.00  3.00           H  
ATOM    271 2HD1 LEU A  18      -2.804   9.532   4.045  1.00  3.00           H  
ATOM    272 3HD1 LEU A  18      -3.048   8.853   2.451  1.00  3.00           H  
ATOM    273 1HD2 LEU A  18      -2.784   5.882   3.226  1.00  3.00           H  
ATOM    274 2HD2 LEU A  18      -1.975   6.623   1.822  1.00  3.00           H  
ATOM    275 3HD2 LEU A  18      -1.014   5.768   3.057  1.00  3.00           H  
ATOM    276  N   GLY A  19      -0.497  10.439   6.094  1.00  1.92           N  
ATOM    277  CA  GLY A  19      -0.340  10.238   7.527  1.00  2.14           C  
ATOM    278  C   GLY A  19       1.153  10.246   7.849  1.00  2.03           C  
ATOM    279  O   GLY A  19       1.818  11.266   7.655  1.00  2.30           O  
ATOM    280  H   GLY A  19      -0.922  11.274   5.712  1.00  2.30           H  
ATOM    281 1HA  GLY A  19      -0.849  11.032   8.075  1.00  2.57           H  
ATOM    282 2HA  GLY A  19      -0.787   9.289   7.824  1.00  2.57           H  
ATOM    283  N   THR A  20       1.655   9.124   8.380  1.00  1.81           N  
ATOM    284  CA  THR A  20       3.057   8.961   8.765  1.00  1.95           C  
ATOM    285  C   THR A  20       3.829   8.071   7.779  1.00  1.79           C  
ATOM    286  O   THR A  20       4.978   7.697   8.031  1.00  2.06           O  
ATOM    287  CB  THR A  20       3.156   8.348  10.170  1.00  2.68           C  
ATOM    288  OG1 THR A  20       2.535   7.052  10.167  1.00  2.68           O  
ATOM    289  CG2 THR A  20       2.429   9.246  11.161  1.00  2.68           C  
ATOM    290  H   THR A  20       1.036   8.334   8.515  1.00  2.17           H  
ATOM    291  HA  THR A  20       3.532   9.942   8.774  1.00  2.34           H  
ATOM    292  HB  THR A  20       4.201   8.250  10.462  1.00  3.22           H  
ATOM    293  HG1 THR A  20       3.121   6.424   9.723  1.00  3.22           H  
ATOM    294 1HG2 THR A  20       2.493   8.812  12.157  1.00  3.22           H  
ATOM    295 2HG2 THR A  20       2.893  10.232  11.163  1.00  3.22           H  
ATOM    296 3HG2 THR A  20       1.384   9.341  10.877  1.00  3.22           H  
ATOM    297  N   ILE A  21       3.179   7.704   6.680  1.00  1.63           N  
ATOM    298  CA  ILE A  21       3.746   6.845   5.646  1.00  1.66           C  
ATOM    299  C   ILE A  21       4.292   7.689   4.511  1.00  1.63           C  
ATOM    300  O   ILE A  21       3.549   8.446   3.886  1.00  1.77           O  
ATOM    301  CB  ILE A  21       2.655   5.909   5.078  1.00  2.31           C  
ATOM    302  CG1 ILE A  21       2.106   5.013   6.208  1.00  2.31           C  
ATOM    303  CG2 ILE A  21       3.202   5.088   3.875  1.00  2.31           C  
ATOM    304  CD1 ILE A  21       0.840   4.266   5.845  1.00  2.31           C  
ATOM    305  H   ILE A  21       2.229   8.056   6.543  1.00  1.96           H  
ATOM    306  HA  ILE A  21       4.558   6.256   6.071  1.00  1.99           H  
ATOM    307  HB  ILE A  21       1.825   6.515   4.735  1.00  2.77           H  
ATOM    308 1HG1 ILE A  21       2.871   4.291   6.484  1.00  2.77           H  
ATOM    309 2HG1 ILE A  21       1.888   5.634   7.074  1.00  2.77           H  
ATOM    310 1HG2 ILE A  21       2.428   4.452   3.459  1.00  2.77           H  
ATOM    311 2HG2 ILE A  21       3.541   5.750   3.100  1.00  2.77           H  
ATOM    312 3HG2 ILE A  21       4.037   4.459   4.197  1.00  2.77           H  
ATOM    313 1HD1 ILE A  21       0.519   3.670   6.699  1.00  2.77           H  
ATOM    314 2HD1 ILE A  21       0.056   4.987   5.590  1.00  2.77           H  
ATOM    315 3HD1 ILE A  21       1.013   3.608   5.002  1.00  2.77           H  
ATOM    316  N   ALA A  22       5.578   7.568   4.205  1.00  1.76           N  
ATOM    317  CA  ALA A  22       6.089   8.403   3.133  1.00  1.97           C  
ATOM    318  C   ALA A  22       7.265   7.787   2.412  1.00  1.83           C  
ATOM    319  O   ALA A  22       8.048   7.033   2.997  1.00  2.14           O  
ATOM    320  CB  ALA A  22       6.494   9.761   3.673  1.00  2.68           C  
ATOM    321  H   ALA A  22       6.173   6.927   4.714  1.00  2.11           H  
ATOM    322  HA  ALA A  22       5.292   8.513   2.416  1.00  2.36           H  
ATOM    323 1HB  ALA A  22       6.828  10.390   2.853  1.00  3.22           H  
ATOM    324 2HB  ALA A  22       5.652  10.214   4.151  1.00  3.22           H  
ATOM    325 3HB  ALA A  22       7.293   9.645   4.394  1.00  3.22           H  
ATOM    326  N   GLU A  23       7.428   8.173   1.154  1.00  1.76           N  
ATOM    327  CA  GLU A  23       8.548   7.674   0.361  1.00  1.84           C  
ATOM    328  C   GLU A  23       8.965   8.688  -0.715  1.00  1.72           C  
ATOM    329  O   GLU A  23       8.098   9.315  -1.330  1.00  2.03           O  
ATOM    330  CB  GLU A  23       8.164   6.332  -0.281  1.00  2.54           C  
ATOM    331  CG  GLU A  23       9.299   5.607  -0.992  1.00  2.54           C  
ATOM    332  CD  GLU A  23       8.918   4.282  -1.539  1.00  2.54           C  
ATOM    333  OE1 GLU A  23       7.756   4.005  -1.647  1.00  2.54           O  
ATOM    334  OE2 GLU A  23       9.803   3.514  -1.821  1.00  2.54           O  
ATOM    335  H   GLU A  23       6.724   8.819   0.771  1.00  2.11           H  
ATOM    336  HA  GLU A  23       9.364   7.482   1.042  1.00  2.21           H  
ATOM    337 1HB  GLU A  23       7.778   5.662   0.489  1.00  3.05           H  
ATOM    338 2HB  GLU A  23       7.371   6.489  -0.988  1.00  3.05           H  
ATOM    339 1HG  GLU A  23       9.661   6.224  -1.820  1.00  3.05           H  
ATOM    340 2HG  GLU A  23      10.111   5.461  -0.289  1.00  3.05           H  
ATOM    341  N   PRO A  24      10.276   8.907  -0.969  1.00  1.82           N  
ATOM    342  CA  PRO A  24      10.748   9.816  -1.997  1.00  2.06           C  
ATOM    343  C   PRO A  24      10.069   9.504  -3.312  1.00  2.02           C  
ATOM    344  O   PRO A  24      10.010   8.354  -3.745  1.00  2.43           O  
ATOM    345  CB  PRO A  24      12.249   9.530  -2.016  1.00  3.09           C  
ATOM    346  CG  PRO A  24      12.569   9.106  -0.597  1.00  3.09           C  
ATOM    347  CD  PRO A  24      11.375   8.283  -0.167  1.00  3.09           C  
ATOM    348  HA  PRO A  24      10.578  10.852  -1.709  1.00  2.47           H  
ATOM    349 1HB  PRO A  24      12.455   8.767  -2.752  1.00  3.71           H  
ATOM    350 2HB  PRO A  24      12.797  10.430  -2.336  1.00  3.71           H  
ATOM    351 1HG  PRO A  24      13.509   8.538  -0.574  1.00  3.71           H  
ATOM    352 2HG  PRO A  24      12.728   9.992   0.031  1.00  3.71           H  
ATOM    353 1HD  PRO A  24      11.528   7.238  -0.436  1.00  3.71           H  
ATOM    354 2HD  PRO A  24      11.249   8.433   0.909  1.00  3.71           H  
ATOM    355  N   ILE A  25       9.590  10.548  -3.968  1.00  2.10           N  
ATOM    356  CA  ILE A  25       8.861  10.395  -5.217  1.00  2.39           C  
ATOM    357  C   ILE A  25       9.665   9.707  -6.312  1.00  2.16           C  
ATOM    358  O   ILE A  25       9.133   8.901  -7.076  1.00  2.42           O  
ATOM    359  CB  ILE A  25       8.317  11.771  -5.690  1.00  3.23           C  
ATOM    360  CG1 ILE A  25       7.303  11.564  -6.844  1.00  3.23           C  
ATOM    361  CG2 ILE A  25       9.458  12.738  -6.084  1.00  3.23           C  
ATOM    362  CD1 ILE A  25       6.451  12.794  -7.173  1.00  3.23           C  
ATOM    363  H   ILE A  25       9.698  11.471  -3.538  1.00  2.52           H  
ATOM    364  HA  ILE A  25       7.994   9.769  -5.009  1.00  2.87           H  
ATOM    365  HB  ILE A  25       7.770  12.212  -4.860  1.00  3.88           H  
ATOM    366 1HG1 ILE A  25       7.851  11.285  -7.745  1.00  3.88           H  
ATOM    367 2HG1 ILE A  25       6.649  10.741  -6.582  1.00  3.88           H  
ATOM    368 1HG2 ILE A  25       9.049  13.701  -6.364  1.00  3.88           H  
ATOM    369 2HG2 ILE A  25      10.126  12.876  -5.235  1.00  3.88           H  
ATOM    370 3HG2 ILE A  25      10.019  12.347  -6.925  1.00  3.88           H  
ATOM    371 1HD1 ILE A  25       5.772  12.550  -7.990  1.00  3.88           H  
ATOM    372 2HD1 ILE A  25       5.875  13.078  -6.302  1.00  3.88           H  
ATOM    373 3HD1 ILE A  25       7.077  13.624  -7.474  1.00  3.88           H  
ATOM    374  N   ASN A  26      10.967   9.953  -6.351  1.00  2.28           N  
ATOM    375  CA  ASN A  26      11.803   9.392  -7.390  1.00  2.53           C  
ATOM    376  C   ASN A  26      12.149   7.935  -7.182  1.00  2.54           C  
ATOM    377  O   ASN A  26      12.826   7.337  -8.021  1.00  2.96           O  
ATOM    378  CB  ASN A  26      13.070  10.201  -7.483  1.00  3.44           C  
ATOM    379  CG  ASN A  26      13.811  10.123  -6.202  1.00  3.44           C  
ATOM    380  OD1 ASN A  26      13.197  10.343  -5.147  1.00  3.44           O  
ATOM    381  ND2 ASN A  26      15.080   9.819  -6.249  1.00  3.44           N  
ATOM    382  H   ASN A  26      11.385  10.592  -5.678  1.00  2.74           H  
ATOM    383  HA  ASN A  26      11.264   9.466  -8.335  1.00  3.04           H  
ATOM    384 1HB  ASN A  26      13.697   9.821  -8.290  1.00  4.13           H  
ATOM    385 2HB  ASN A  26      12.831  11.241  -7.700  1.00  4.13           H  
ATOM    386 1HD2 ASN A  26      15.611   9.752  -5.405  1.00  4.13           H  
ATOM    387 2HD2 ASN A  26      15.520   9.646  -7.131  1.00  4.13           H  
ATOM    388  N   LEU A  27      11.728   7.357  -6.067  1.00  2.61           N  
ATOM    389  CA  LEU A  27      12.018   5.968  -5.825  1.00  3.17           C  
ATOM    390  C   LEU A  27      10.796   5.089  -6.033  1.00  3.40           C  
ATOM    391  O   LEU A  27      10.866   3.884  -5.773  1.00  3.89           O  
ATOM    392  CB  LEU A  27      12.580   5.787  -4.417  1.00  4.21           C  
ATOM    393  CG  LEU A  27      13.898   6.567  -4.105  1.00  4.21           C  
ATOM    394  CD1 LEU A  27      14.265   6.310  -2.663  1.00  4.21           C  
ATOM    395  CD2 LEU A  27      15.034   6.155  -5.045  1.00  4.21           C  
ATOM    396  H   LEU A  27      11.155   7.870  -5.387  1.00  3.13           H  
ATOM    397  HA  LEU A  27      12.759   5.637  -6.544  1.00  3.80           H  
ATOM    398 1HB  LEU A  27      11.815   6.123  -3.706  1.00  5.05           H  
ATOM    399 2HB  LEU A  27      12.762   4.728  -4.248  1.00  5.05           H  
ATOM    400  HG  LEU A  27      13.721   7.629  -4.227  1.00  5.05           H  
ATOM    401 1HD1 LEU A  27      15.165   6.870  -2.411  1.00  5.05           H  
ATOM    402 2HD1 LEU A  27      13.451   6.622  -2.024  1.00  5.05           H  
ATOM    403 3HD1 LEU A  27      14.445   5.246  -2.519  1.00  5.05           H  
ATOM    404 1HD2 LEU A  27      15.931   6.719  -4.790  1.00  5.05           H  
ATOM    405 2HD2 LEU A  27      15.234   5.089  -4.934  1.00  5.05           H  
ATOM    406 3HD2 LEU A  27      14.773   6.369  -6.078  1.00  5.05           H  
ATOM    407  N   ILE A  28       9.680   5.664  -6.499  1.00  3.56           N  
ATOM    408  CA  ILE A  28       8.491   4.844  -6.672  1.00  4.16           C  
ATOM    409  C   ILE A  28       8.281   4.498  -8.141  1.00  4.91           C  
ATOM    410  O   ILE A  28       8.216   3.318  -8.480  1.00  5.52           O  
ATOM    411  OXT ILE A  28       7.734   5.345  -8.845  1.00  6.25           O  
ATOM    412  CB  ILE A  28       7.219   5.524  -6.135  1.00  5.26           C  
ATOM    413  CG1 ILE A  28       7.367   5.844  -4.603  1.00  5.26           C  
ATOM    414  CG2 ILE A  28       6.060   4.532  -6.364  1.00  5.26           C  
ATOM    415  CD1 ILE A  28       6.268   6.776  -4.020  1.00  5.26           C  
ATOM    416  H   ILE A  28       9.653   6.668  -6.722  1.00  4.27           H  
ATOM    417  HA  ILE A  28       8.627   3.913  -6.122  1.00  4.99           H  
ATOM    418  HB  ILE A  28       7.033   6.465  -6.657  1.00  6.31           H  
ATOM    419 1HG1 ILE A  28       7.358   4.906  -4.046  1.00  6.31           H  
ATOM    420 2HG1 ILE A  28       8.333   6.330  -4.441  1.00  6.31           H  
ATOM    421 1HG2 ILE A  28       5.140   4.922  -5.995  1.00  6.31           H  
ATOM    422 2HG2 ILE A  28       5.946   4.316  -7.425  1.00  6.31           H  
ATOM    423 3HG2 ILE A  28       6.286   3.609  -5.841  1.00  6.31           H  
ATOM    424 1HD1 ILE A  28       6.462   6.953  -2.970  1.00  6.31           H  
ATOM    425 2HD1 ILE A  28       6.292   7.722  -4.550  1.00  6.31           H  
ATOM    426 3HD1 ILE A  28       5.289   6.320  -4.127  1.00  6.31           H  
TER                                                                             
# All scores below are weighted scores, not raw scores.
#BEGIN_POSE_ENERGIES_TABLE best_scoring0001_0001.pdb
label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro cart_bonded total
weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 0.5 NA
pose -129.072 15.8273 97.2387 -8.22842 3.28496 6.87077 44.3034 -52.1837 -0.23444 -1.37871 -42.8297 -11.4831 -13.5649 -4.98922 -3.46619 -1.6266 0 -1.23004 1.63075 12.2261 21.9259 -11.3479 6.8982 -15.9022 -4.94625 16.6995 -75.5772
SER:NtermProteinFull_1 -2.36448 0.13267 3.6388 -0.02341 0 0.01783 1.28744 -1.48268 -0.00171 -0.01018 -2.45514 -1.30066 0 0 -0.7279 0 0 0.02007 0.0011 1.14397 0 0 0.60028 -0.77834 0 0.06529 -2.23703
ASP_2 -3.86031 0.44124 4.36513 -0.10801 0.00065 0.32077 1.85979 -2.01617 -0.02253 -0.1215 -1.99616 -0.54343 0 0 0 0 0 0.01104 0.09577 0 2.09009 -0.26291 0 -2.3716 -0.09791 0.24774 -1.96833
GLU_3 -3.93666 0.35505 4.57037 -0.45826 0.24103 1.437 2.13099 -2.13923 -0.02768 -0.14986 -2.55702 -3.03821 0 0 0 0 0 -0.0754 0.0045 0 3.89593 -0.35448 0 -2.7348 -0.45888 0.49354 -2.8021
ASP_4 -4.28407 0.49605 6.73206 -0.11635 0.00719 0.35311 2.45496 -2.87258 -0.02939 -0.16004 -2.95514 -0.62917 0 0 -0.7279 0 0 -0.12741 0.04695 0 1.80255 -0.00158 0 -2.3716 -0.45355 0.48223 -2.35368
LEU_5 -9.93503 1.41997 4.37282 -0.44656 0.09121 0.09521 3.40616 -3.45243 -0 -0 -2.99097 0.20126 0 0 0 0 0 -0.04704 0.20472 0.32352 0 -0.25926 0 0.18072 -0.25014 0.62429 -6.46154
SER_6 -3.62807 0.52727 3.24692 -0.03815 0.00205 0.04805 1.64612 -1.77723 -0.02253 -0.1215 -1.56589 -0.34933 0 0 0 0 0 -0.10104 0.00862 0.15325 0 -0.32023 1.77326 -0.77834 -0.43579 0.74669 -0.98587
THR_7 -2.38756 0.2608 2.86631 -0.12835 0.07597 0.07882 1.1432 -1.33243 -0 -0 -0.71188 -0.88703 0 0 0 0 0 -0.04152 0.01896 0.08551 0 -0.57394 2.26744 -1.0874 -0.45363 0.45746 -0.34927
GLU_8 -3.51895 0.49527 3.98265 -0.21001 0.02289 0.30952 1.5725 -1.68565 -0 -0 -1.38099 -0.55357 0 0 0 -0.8133 0 0.00743 0.07992 0 2.83693 -0.04193 0 -2.7348 0.45538 0.66496 -0.51174
GLN_9 -6.96694 1.53032 4.60388 -0.51668 0.06119 0.79323 1.68061 -2.39972 -0 -0 -1.41831 -0.45608 0 0 0 -0.8133 0 0.00775 0.37805 0 3.22595 0.011 0 -0.18838 0.47628 1.28387 1.29272
PRO_10 -3.29011 0.54971 2.32914 -0.18545 0.00127 0.12938 1.04275 -1.13121 -0.009 -0.02937 -1.34757 0.1141 0 0 0 0 0 0.03196 0.00178 0.4438 0 -0.96653 0 -2.4119 -0.35463 0.94747 -4.13441
VAL_11 -5.22006 0.64362 1.32826 -0.39005 0.42531 0.0962 0.10457 -1.48791 -0 -0 -0.24058 -0.09878 0 0 0 0 0 -0.04782 0.01094 1.19461 0 -0.64376 0 1.9342 -0.40221 0.33166 -2.4618
HIS_D_12 -3.6652 0.27539 3.96703 -0.3744 0.00498 0.4487 1.85991 -1.99532 -0.00892 -0.02901 -0.9791 -0.29138 0 0 0 0 0 -0.0246 0.00129 0 1.95669 -0.29859 0 -0.45461 -0.10509 0.33376 0.62154
GLY_13 -0.88925 0.0848 1.19083 -5e-05 0 0 0.35671 -0.56777 -0 -0 0.42303 -0.42916 0 0 0 0 0 -0.13109 0 0 0 -1.23743 0 0.83697 -0.37241 0.21631 -0.51849
GLY_14 -2.69126 0.43555 2.35466 -6e-05 0 0 1.25199 -1.36231 -0.01683 -0.1257 -1.48727 -0.39277 0 0 0 0 0 -0.13662 0 0 0 -1.49248 0 0.83697 -0.96634 0.18692 -3.60555
ARG_15 -8.28702 0.75553 6.36232 -0.551 0.08285 0.29941 2.75571 -3.27903 -9e-05 -0.00035 -2.48694 0.35979 0 0 -0.41488 0 0 -0.00132 0.20299 2.32841 0 -0.05285 0 -1.2888 -0.54968 0.36644 -3.39852
ILE_16 -9.58714 2.0464 3.50667 -0.47778 0.47501 0.08936 2.4705 -2.87748 -0.01723 -0.07882 -2.54414 0.339 0 0 0 0 0 0.09483 0.00527 0.50048 0 -0.52309 0 0.73287 -0.31587 0.81725 -5.34392
ARG_17 -5.44672 0.41624 3.758 -0.52492 0.06935 0.2879 1.59408 -2.00703 -0 -0 -2.38433 0.47609 0 0 -0.59032 0 0 0.07447 0.10325 2.20295 0 -0.12488 0 -1.2888 -0.27999 1.30017 -2.36449
LEU_18 -5.42986 0.49147 3.9724 -0.66469 0.23502 0.24136 2.07579 -2.1077 -0.02154 -0.15909 -2.42917 0.04385 0 0 0 0 0 -0.0651 0.15319 0.91981 0 -0.10318 0 0.18072 0.24965 1.17364 -1.24344
GLY_19 -1.93886 0.10661 2.28507 -0.00021 0 0 0.94729 -1.09991 -0 -0 -1.01949 -0.33602 0 0 -0.59032 0 0 -0.32559 0 0 0 -1.32575 0 0.83697 0.39722 0.57309 -1.4899
THR_20 -1.86884 0.05267 1.7912 -0.13182 0.08638 0.08055 0.39218 -0.91899 -0.00718 -0.08835 -0.01593 -1.05229 0 0 0 0 0 -0.05516 0.00974 0.01516 0 -0.39592 2.25722 -1.0874 -0.06927 0.21601 -0.79004
ILE_21 -5.03886 0.36848 3.77611 -0.49066 0.37635 0.11613 2.73417 -2.11446 -0 -0 -2.61634 0.02044 0 0 0 0 0 -0.05184 0.03234 0.42893 0 -0.65625 0 0.73287 -0.46907 0.37217 -2.47948
ALA_22 -4.36915 0.63524 1.27618 -0.02214 0 0 0.88395 -1.44189 -0.00287 -0.00808 -1.18325 -0.39139 0 0 -0.41488 0 0 0.01275 0 0 0 -0.52604 0 1.8394 -0.28494 0.42527 -3.57185
GLU_23 -6.33143 0.62126 6.02325 -0.25728 0.03208 0.30311 2.50212 -2.67058 -0.00798 -0.05125 -2.43618 -0.24385 0 0 0 0 0 -0.03458 0.04676 0 3.16156 -0.18917 0 -2.7348 0.60006 1.07148 -0.59543
PRO_24 -6.23775 1.10932 3.78886 -0.11667 0.00453 0.08518 1.61069 -1.61581 -0 -0 -1.64874 0.25467 0 0 0 0 0 -0.07387 0.01632 0.10231 0 -0.87967 0 -2.4119 0.40885 1.13486 -4.46882
ILE_25 -5.18721 0.47734 2.86562 -0.5584 0.24155 0.15567 1.89591 -1.83415 -0.01494 -0.08513 -1.07274 0.27783 0 0 0 0 0 -0.05292 0.0595 1.54914 0 0.04385 0 0.73287 -0.31225 0.50336 -0.31509
ASN_26 -3.32606 0.29881 2.52749 -0.3417 0.05778 0.677 0.60814 -1.38763 -0.00886 -0.07445 0.1063 -1.52241 0 0 0 0 0 -0.04388 0.05519 0 2.95622 -0.13811 0 -0.93687 -0.31372 0.47989 -0.32687
LEU_27 -4.04272 0.409 3.23388 -0.51901 0.26821 0.15474 0.94236 -1.47491 -0.00011 -0.00044 -0.98313 0.04676 0 0 0 0 0 -0.05352 0.03328 0.29289 0 -0.03469 0 0.18072 -0.39842 0.40886 -1.53627
ILE:CtermProteinFull_28 -5.34195 0.39126 2.52281 -0.57635 0.4221 0.25253 1.09279 -1.65147 -0.01505 -0.08557 -0.45262 -1.10137 0 0 0 0 0 0 0.06033 0.54136 0 0 0 0.73287 -0.18988 0.77485 -2.62336
#END_POSE_ENERGIES_TABLE best_scoring0001_0001.pdb

ENDMDL

REMARK ID 699803 DOMAINID 690196 MODEL 3 LI0649-2
MODEL     3
REMARK    Rerank model04.pdb to model03.pdb score: 7.005
REMARK    CLUSTER 0004 t000_.out.valid.rescored.best_scoring.binary cluster_size: 7 cluster_threshold: 3.238783
REMARK    SCORE     cart_bonded:          15.987
REMARK    SCORE            time:           0.000
REMARK    SCORE        hbond_sc:          -2.277
REMARK    SCORE         p_aa_pp:          -8.546
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE           omega:          -0.653
REMARK    SCORE fa_intra_sol_xover4:           5.361
REMARK    SCORE         fa_elec:         -21.705
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE     rama_prepro:          -2.594
REMARK    SCORE     hbond_lr_bb:          -1.701
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE     hbond_sr_bb:          -7.802
REMARK    SCORE          fa_rep:          14.390
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE          fa_atr:        -122.809
REMARK    SCORE    fa_intra_rep:           0.240
REMARK    SCORE     description: cluster0004_0001
REMARK    SCORE          fa_sol:          67.428
REMARK    SCORE     total_score:         -37.768
REMARK    SCORE             ref:           3.253
REMARK    SCORE          fa_dun:          35.225
REMARK    SCORE     lk_ball_wtd:          -6.299
REMARK    SCORE     hbond_bb_sc:          -5.266
REMARK    SCORE           score:         -37.768
ATOM      1  N   SER A   1       0.461  -1.044  -1.330  1.00  3.110          N  
ATOM      2  CA  SER A   1       1.763  -0.735  -0.762  1.00  3.170          C  
ATOM      3  C   SER A   1       2.127   0.721  -0.987  1.00  2.750          C  
ATOM      4  O   SER A   1       1.524   1.407  -1.817  1.00  2.560          O  
ATOM      5  CB  SER A   1       2.797  -1.655  -1.372  1.00  4.410          C  
ATOM      6  OG  SER A   1       2.968  -1.385  -2.728  1.00  4.410          O  
ATOM      7 1H   SER A   1      -0.167  -1.359  -0.589  1.00  3.730          H  
ATOM      8 2H   SER A   1       0.082  -0.223  -1.779  1.00  3.730          H  
ATOM      9 3H   SER A   1       0.574  -1.784  -2.006  1.00  3.730          H  
ATOM     10  HA  SER A   1       1.730  -0.904   0.313  1.00  3.800          H  
ATOM     11 1HB  SER A   1       3.722  -1.548  -0.861  1.00  5.300          H  
ATOM     12 2HB  SER A   1       2.482  -2.687  -1.245  1.00  5.300          H  
ATOM     13  HG  SER A   1       3.648  -1.996  -3.042  1.00  5.300          H  
ATOM     14  N   ASP A   2       3.109   1.204  -0.236  1.00  3.010          N  
ATOM     15  CA  ASP A   2       3.533   2.595  -0.336  1.00  3.010          C  
ATOM     16  C   ASP A   2       4.516   2.831  -1.485  1.00  2.650          C  
ATOM     17  O   ASP A   2       4.961   1.895  -2.151  1.00  3.220          O  
ATOM     18  CB  ASP A   2       4.172   3.021   0.987  1.00  4.210          C  
ATOM     19  CG  ASP A   2       3.194   3.137   2.160  1.00  4.210          C  
ATOM     20  OD1 ASP A   2       2.015   3.294   1.958  1.00  4.210          O  
ATOM     21  OD2 ASP A   2       3.658   3.020   3.265  1.00  4.210          O  
ATOM     22  H   ASP A   2       3.558   0.599   0.431  1.00  3.610          H  
ATOM     23  HA  ASP A   2       2.651   3.216  -0.513  1.00  3.610          H  
ATOM     24 1HB  ASP A   2       4.948   2.316   1.258  1.00  5.060          H  
ATOM     25 2HB  ASP A   2       4.652   3.992   0.859  1.00  5.060          H  
ATOM     26  N   GLU A   3       4.928   4.086  -1.662  1.00  2.220          N  
ATOM     27  CA  GLU A   3       5.829   4.492  -2.744  1.00  2.390          C  
ATOM     28  C   GLU A   3       7.204   3.829  -2.725  1.00  1.650          C  
ATOM     29  O   GLU A   3       7.793   3.572  -3.771  1.00  2.140          O  
ATOM     30  CB  GLU A   3       6.008   6.011  -2.710  1.00  3.280          C  
ATOM     31  CG  GLU A   3       4.724   6.799  -2.990  1.00  3.280          C  
ATOM     32  CD  GLU A   3       3.856   6.953  -1.770  1.00  3.280          C  
ATOM     33  OE1 GLU A   3       4.247   6.467  -0.727  1.00  3.280          O  
ATOM     34  OE2 GLU A   3       2.806   7.529  -1.874  1.00  3.280          O  
ATOM     35  H   GLU A   3       4.547   4.821  -1.061  1.00  2.660          H  
ATOM     36  HA  GLU A   3       5.350   4.225  -3.685  1.00  2.870          H  
ATOM     37 1HB  GLU A   3       6.395   6.311  -1.735  1.00  3.930          H  
ATOM     38 2HB  GLU A   3       6.749   6.302  -3.455  1.00  3.930          H  
ATOM     39 1HG  GLU A   3       4.993   7.788  -3.360  1.00  3.930          H  
ATOM     40 2HG  GLU A   3       4.161   6.290  -3.771  1.00  3.930          H  
ATOM     41  N   ASP A   4       7.699   3.524  -1.533  1.00  1.480          N  
ATOM     42  CA  ASP A   4       9.019   2.938  -1.374  1.00  1.750          C  
ATOM     43  C   ASP A   4       9.010   1.416  -1.426  1.00  1.530          C  
ATOM     44  O   ASP A   4      10.055   0.803  -1.226  1.00  2.060          O  
ATOM     45  CB  ASP A   4       9.604   3.319   0.001  1.00  2.340          C  
ATOM     46  CG  ASP A   4       9.880   4.828   0.215  1.00  2.340          C  
ATOM     47  OD1 ASP A   4      10.073   5.545  -0.738  1.00  2.340          O  
ATOM     48  OD2 ASP A   4       9.887   5.240   1.375  1.00  2.340          O  
ATOM     49  H   ASP A   4       7.175   3.780  -0.713  1.00  1.780          H  
ATOM     50  HA  ASP A   4       9.665   3.310  -2.169  1.00  2.100          H  
ATOM     51 1HB  ASP A   4       8.921   2.975   0.779  1.00  2.810          H  
ATOM     52 2HB  ASP A   4      10.545   2.780   0.147  1.00  2.810          H  
ATOM     53  N   LEU A   5       7.848   0.788  -1.642  1.00  1.420          N  
ATOM     54  CA  LEU A   5       7.838  -0.667  -1.577  1.00  1.720          C  
ATOM     55  C   LEU A   5       7.695  -1.362  -2.939  1.00  1.630          C  
ATOM     56  O   LEU A   5       6.868  -0.980  -3.767  1.00  2.190          O  
ATOM     57  CB  LEU A   5       6.701  -1.094  -0.651  1.00  2.290          C  
ATOM     58  CG  LEU A   5       6.681  -0.419   0.788  1.00  2.290          C  
ATOM     59  CD1 LEU A   5       5.524  -0.985   1.600  1.00  2.290          C  
ATOM     60  CD2 LEU A   5       7.962  -0.630   1.516  1.00  2.290          C  
ATOM     61  H   LEU A   5       6.984   1.299  -1.853  1.00  1.700          H  
ATOM     62  HA  LEU A   5       8.769  -0.988  -1.151  1.00  2.060          H  
ATOM     63 1HB  LEU A   5       5.782  -0.817  -1.148  1.00  2.750          H  
ATOM     64 2HB  LEU A   5       6.729  -2.177  -0.530  1.00  2.750          H  
ATOM     65  HG  LEU A   5       6.520   0.647   0.668  1.00  2.750          H  
ATOM     66 1HD1 LEU A   5       5.507  -0.498   2.569  1.00  2.750          H  
ATOM     67 2HD1 LEU A   5       4.595  -0.816   1.104  1.00  2.750          H  
ATOM     68 3HD1 LEU A   5       5.671  -2.060   1.731  1.00  2.750          H  
ATOM     69 1HD2 LEU A   5       7.910  -0.153   2.494  1.00  2.750          H  
ATOM     70 2HD2 LEU A   5       8.100  -1.686   1.633  1.00  2.750          H  
ATOM     71 3HD2 LEU A   5       8.794  -0.208   0.966  1.00  2.750          H  
ATOM     72  N   SER A   6       8.464  -2.445  -3.131  1.00  1.480          N  
ATOM     73  CA  SER A   6       8.432  -3.261  -4.349  1.00  1.630          C  
ATOM     74  C   SER A   6       9.017  -4.650  -4.162  1.00  1.490          C  
ATOM     75  O   SER A   6      10.079  -4.812  -3.573  1.00  1.320          O  
ATOM     76  CB  SER A   6       9.184  -2.598  -5.477  1.00  2.220          C  
ATOM     77  OG  SER A   6       9.226  -3.462  -6.592  1.00  2.220          O  
ATOM     78  H   SER A   6       9.136  -2.692  -2.397  1.00  1.780          H  
ATOM     79  HA  SER A   6       7.389  -3.373  -4.650  1.00  1.960          H  
ATOM     80 1HB  SER A   6       8.689  -1.665  -5.749  1.00  2.670          H  
ATOM     81 2HB  SER A   6      10.197  -2.353  -5.154  1.00  2.670          H  
ATOM     82  HG  SER A   6       9.604  -2.940  -7.317  1.00  2.670          H  
ATOM     83  N   THR A   7       8.410  -5.653  -4.783  1.00  1.850          N  
ATOM     84  CA  THR A   7       8.920  -7.016  -4.676  1.00  1.870          C  
ATOM     85  C   THR A   7      10.228  -7.225  -5.424  1.00  1.730          C  
ATOM     86  O   THR A   7      10.846  -8.283  -5.309  1.00  1.710          O  
ATOM     87  CB  THR A   7       7.870  -8.036  -5.155  1.00  2.610          C  
ATOM     88  OG1 THR A   7       7.507  -7.746  -6.511  1.00  2.610          O  
ATOM     89  CG2 THR A   7       6.628  -7.977  -4.269  1.00  2.610          C  
ATOM     90  H   THR A   7       7.564  -5.485  -5.312  1.00  2.220          H  
ATOM     91  HA  THR A   7       9.131  -7.210  -3.637  1.00  2.240          H  
ATOM     92  HB  THR A   7       8.291  -9.043  -5.109  1.00  3.130          H  
ATOM     93  HG1 THR A   7       8.234  -7.986  -7.098  1.00  3.130          H  
ATOM     94 1HG2 THR A   7       5.899  -8.704  -4.625  1.00  3.130          H  
ATOM     95 2HG2 THR A   7       6.889  -8.210  -3.252  1.00  3.130          H  
ATOM     96 3HG2 THR A   7       6.194  -6.983  -4.309  1.00  3.130          H  
ATOM     97  N   GLU A   8      10.625  -6.242  -6.224  1.00  1.850          N  
ATOM     98  CA  GLU A   8      11.877  -6.299  -6.957  1.00  1.990          C  
ATOM     99  C   GLU A   8      13.029  -5.611  -6.204  1.00  1.750          C  
ATOM    100  O   GLU A   8      14.162  -5.603  -6.690  1.00  1.950          O  
ATOM    101  CB  GLU A   8      11.708  -5.651  -8.336  1.00  2.730          C  
ATOM    102  CG  GLU A   8      10.722  -6.372  -9.254  1.00  2.730          C  
ATOM    103  CD  GLU A   8      10.549  -5.699 -10.598  1.00  2.730          C  
ATOM    104  OE1 GLU A   8      11.155  -4.678 -10.818  1.00  2.730          O  
ATOM    105  OE2 GLU A   8       9.803  -6.211 -11.397  1.00  2.730          O  
ATOM    106  H   GLU A   8      10.045  -5.406  -6.297  1.00  2.220          H  
ATOM    107  HA  GLU A   8      12.145  -7.345  -7.097  1.00  2.390          H  
ATOM    108 1HB  GLU A   8      11.365  -4.624  -8.210  1.00  3.280          H  
ATOM    109 2HB  GLU A   8      12.673  -5.616  -8.840  1.00  3.280          H  
ATOM    110 1HG  GLU A   8      11.072  -7.391  -9.411  1.00  3.280          H  
ATOM    111 2HG  GLU A   8       9.754  -6.426  -8.755  1.00  3.280          H  
ATOM    112  N   GLN A   9      12.745  -4.992  -5.045  1.00  1.600          N  
ATOM    113  CA  GLN A   9      13.772  -4.241  -4.331  1.00  1.720          C  
ATOM    114  C   GLN A   9      14.092  -4.780  -2.924  1.00  1.380          C  
ATOM    115  O   GLN A   9      13.343  -4.520  -1.992  1.00  1.270          O  
ATOM    116  CB  GLN A   9      13.319  -2.782  -4.214  1.00  2.360          C  
ATOM    117  CG  GLN A   9      14.310  -1.860  -3.509  1.00  2.360          C  
ATOM    118  CD  GLN A   9      13.860  -0.413  -3.510  1.00  2.360          C  
ATOM    119  OE1 GLN A   9      12.676  -0.108  -3.667  1.00  2.360          O  
ATOM    120  NE2 GLN A   9      14.806   0.494  -3.341  1.00  2.360          N  
ATOM    121  H   GLN A   9      11.804  -5.046  -4.642  1.00  1.920          H  
ATOM    122  HA  GLN A   9      14.648  -4.244  -4.955  1.00  2.060          H  
ATOM    123 1HB  GLN A   9      13.141  -2.383  -5.212  1.00  2.830          H  
ATOM    124 2HB  GLN A   9      12.369  -2.750  -3.681  1.00  2.830          H  
ATOM    125 1HG  GLN A   9      14.394  -2.169  -2.473  1.00  2.830          H  
ATOM    126 2HG  GLN A   9      15.278  -1.923  -4.001  1.00  2.830          H  
ATOM    127 1HE2 GLN A   9      14.569   1.466  -3.337  1.00  2.830          H  
ATOM    128 2HE2 GLN A   9      15.763   0.213  -3.217  1.00  2.830          H  
ATOM    129  N   PRO A  10      15.237  -5.469  -2.704  1.00  1.850          N  
ATOM    130  CA  PRO A  10      15.606  -6.068  -1.424  1.00  2.250          C  
ATOM    131  C   PRO A  10      15.844  -5.065  -0.299  1.00  2.190          C  
ATOM    132  O   PRO A  10      15.774  -5.435   0.871  1.00  2.960          O  
ATOM    133  CB  PRO A  10      16.898  -6.830  -1.768  1.00  3.380          C  
ATOM    134  CG  PRO A  10      17.458  -6.139  -2.989  1.00  3.380          C  
ATOM    135  CD  PRO A  10      16.249  -5.646  -3.771  1.00  3.380          C  
ATOM    136  HA  PRO A  10      14.819  -6.772  -1.119  1.00  2.700          H  
ATOM    137 1HB  PRO A  10      17.589  -6.784  -0.914  1.00  4.050          H  
ATOM    138 2HB  PRO A  10      16.684  -7.894  -1.937  1.00  4.050          H  
ATOM    139 1HG  PRO A  10      18.136  -5.327  -2.686  1.00  4.050          H  
ATOM    140 2HG  PRO A  10      18.069  -6.851  -3.572  1.00  4.050          H  
ATOM    141 1HD  PRO A  10      16.550  -4.694  -4.222  1.00  4.050          H  
ATOM    142 2HD  PRO A  10      15.907  -6.383  -4.523  1.00  4.050          H  
ATOM    143  N   VAL A  11      16.149  -3.806  -0.639  1.00  1.580          N  
ATOM    144  CA  VAL A  11      16.379  -2.808   0.390  1.00  1.500          C  
ATOM    145  C   VAL A  11      15.562  -1.553   0.122  1.00  1.570          C  
ATOM    146  O   VAL A  11      16.024  -0.630  -0.553  1.00  2.130          O  
ATOM    147  CB  VAL A  11      17.871  -2.445   0.493  1.00  2.130          C  
ATOM    148  CG1 VAL A  11      18.090  -1.428   1.645  1.00  2.130          C  
ATOM    149  CG2 VAL A  11      18.681  -3.705   0.728  1.00  2.130          C  
ATOM    150  H   VAL A  11      16.246  -3.527  -1.603  1.00  1.900          H  
ATOM    151  HA  VAL A  11      16.080  -3.217   1.342  1.00  1.800          H  
ATOM    152  HB  VAL A  11      18.195  -1.971  -0.433  1.00  2.560          H  
ATOM    153 1HG1 VAL A  11      19.149  -1.178   1.701  1.00  2.560          H  
ATOM    154 2HG1 VAL A  11      17.526  -0.521   1.471  1.00  2.560          H  
ATOM    155 3HG1 VAL A  11      17.776  -1.877   2.586  1.00  2.560          H  
ATOM    156 1HG2 VAL A  11      19.732  -3.445   0.797  1.00  2.560          H  
ATOM    157 2HG2 VAL A  11      18.351  -4.173   1.653  1.00  2.560          H  
ATOM    158 3HG2 VAL A  11      18.543  -4.398  -0.094  1.00  2.560          H  
ATOM    159  N   HIS A  12      14.387  -1.463   0.728  1.00  1.830          N  
ATOM    160  CA  HIS A  12      13.463  -0.345   0.504  1.00  2.540          C  
ATOM    161  C   HIS A  12      13.855   0.917   1.239  1.00  2.570          C  
ATOM    162  O   HIS A  12      13.118   1.393   2.097  1.00  2.450          O  
ATOM    163  CB  HIS A  12      12.092  -0.687   1.071  1.00  3.270          C  
ATOM    164  CG  HIS A  12      11.381  -1.720   0.426  1.00  3.270          C  
ATOM    165  ND1 HIS A  12      10.557  -2.566   1.104  1.00  3.270          N  
ATOM    166  CD2 HIS A  12      11.276  -2.040  -0.858  1.00  3.270          C  
ATOM    167  CE1 HIS A  12       9.977  -3.363   0.266  1.00  3.270          C  
ATOM    168  NE2 HIS A  12      10.377  -3.051  -0.940  1.00  3.270          N  
ATOM    169  H   HIS A  12      14.089  -2.250   1.290  1.00  2.200          H  
ATOM    170  HA  HIS A  12      13.389  -0.124  -0.562  1.00  3.050          H  
ATOM    171 1HB  HIS A  12      12.198  -0.962   2.111  1.00  3.930          H  
ATOM    172 2HB  HIS A  12      11.458   0.201   1.030  1.00  3.930          H  
ATOM    173  HD1 HIS A  12      10.272  -2.484   2.059  1.00  3.930          H  
ATOM    174  HD2 HIS A  12      11.716  -1.629  -1.752  1.00  3.930          H  
ATOM    175  HE1 HIS A  12       9.281  -4.107   0.619  1.00  3.930          H  
ATOM    176  N   GLY A  13      15.038   1.436   0.977  1.00  2.950          N  
ATOM    177  CA  GLY A  13      15.483   2.667   1.633  1.00  3.450          C  
ATOM    178  C   GLY A  13      15.785   2.407   3.106  1.00  2.670          C  
ATOM    179  O   GLY A  13      15.939   3.333   3.901  1.00  3.040          O  
ATOM    180  H   GLY A  13      15.609   0.974   0.265  1.00  3.540          H  
ATOM    181 1HA  GLY A  13      16.377   3.041   1.135  1.00  4.140          H  
ATOM    182 2HA  GLY A  13      14.715   3.434   1.539  1.00  4.140          H  
ATOM    183  N   GLY A  14      15.846   1.130   3.461  1.00  1.970          N  
ATOM    184  CA  GLY A  14      16.017   0.661   4.818  1.00  1.660          C  
ATOM    185  C   GLY A  14      14.681   0.405   5.544  1.00  1.310          C  
ATOM    186  O   GLY A  14      14.680  -0.170   6.627  1.00  1.420          O  
ATOM    187  H   GLY A  14      15.735   0.458   2.716  1.00  2.360          H  
ATOM    188 1HA  GLY A  14      16.607  -0.256   4.807  1.00  1.990          H  
ATOM    189 2HA  GLY A  14      16.595   1.396   5.380  1.00  1.990          H  
ATOM    190  N   ARG A  15      13.519   0.725   4.945  1.00  1.200          N  
ATOM    191  CA  ARG A  15      12.233   0.534   5.657  1.00  1.080          C  
ATOM    192  C   ARG A  15      12.072  -0.936   6.075  1.00  1.020          C  
ATOM    193  O   ARG A  15      11.617  -1.282   7.182  1.00  1.040          O  
ATOM    194  CB  ARG A  15      11.049   0.858   4.737  1.00  1.560          C  
ATOM    195  CG  ARG A  15      10.934   2.298   4.151  1.00  1.560          C  
ATOM    196  CD  ARG A  15      10.575   3.366   5.083  1.00  1.560          C  
ATOM    197  NE  ARG A  15      10.376   4.618   4.329  1.00  1.560          N  
ATOM    198  CZ  ARG A  15      10.326   5.863   4.826  1.00  1.560          C  
ATOM    199  NH1 ARG A  15      10.478   6.110   6.119  1.00  1.560          N  
ATOM    200  NH2 ARG A  15      10.122   6.841   3.962  1.00  1.560          N  
ATOM    201  H   ARG A  15      13.529   1.163   4.021  1.00  1.440          H  
ATOM    202  HA  ARG A  15      12.221   1.168   6.538  1.00  1.300          H  
ATOM    203 1HB  ARG A  15      11.064   0.182   3.889  1.00  1.870          H  
ATOM    204 2HB  ARG A  15      10.122   0.662   5.275  1.00  1.870          H  
ATOM    205 1HG  ARG A  15      11.893   2.593   3.755  1.00  1.870          H  
ATOM    206 2HG  ARG A  15      10.203   2.299   3.339  1.00  1.870          H  
ATOM    207 1HD  ARG A  15       9.644   3.119   5.596  1.00  1.870          H  
ATOM    208 2HD  ARG A  15      11.379   3.512   5.803  1.00  1.870          H  
ATOM    209  HE  ARG A  15      10.238   4.548   3.298  1.00  1.870          H  
ATOM    210 1HH1 ARG A  15      10.651   5.356   6.769  1.00  1.870          H  
ATOM    211 2HH1 ARG A  15      10.437   7.060   6.459  1.00  1.870          H  
ATOM    212 1HH2 ARG A  15      10.015   6.587   2.953  1.00  1.870          H  
ATOM    213 2HH2 ARG A  15      10.076   7.800   4.263  1.00  1.870          H  
ATOM    214  N   ILE A  16      12.498  -1.800   5.159  1.00  1.220          N  
ATOM    215  CA  ILE A  16      12.469  -3.254   5.246  1.00  1.400          C  
ATOM    216  C   ILE A  16      13.354  -3.805   6.377  1.00  1.440          C  
ATOM    217  O   ILE A  16      13.205  -4.959   6.773  1.00  1.520          O  
ATOM    218  CB  ILE A  16      12.849  -3.825   3.855  1.00  1.890          C  
ATOM    219  CG1 ILE A  16      12.417  -5.306   3.701  1.00  1.890          C  
ATOM    220  CG2 ILE A  16      14.332  -3.668   3.617  1.00  1.890          C  
ATOM    221  CD1 ILE A  16      12.449  -5.815   2.246  1.00  1.890          C  
ATOM    222  H   ILE A  16      12.842  -1.394   4.303  1.00  1.460          H  
ATOM    223  HA  ILE A  16      11.445  -3.556   5.461  1.00  1.680          H  
ATOM    224  HB  ILE A  16      12.320  -3.266   3.104  1.00  2.270          H  
ATOM    225 1HG1 ILE A  16      13.072  -5.940   4.301  1.00  2.270          H  
ATOM    226 2HG1 ILE A  16      11.409  -5.408   4.069  1.00  2.270          H  
ATOM    227 1HG2 ILE A  16      14.568  -4.038   2.648  1.00  2.270          H  
ATOM    228 2HG2 ILE A  16      14.618  -2.621   3.690  1.00  2.270          H  
ATOM    229 3HG2 ILE A  16      14.872  -4.250   4.346  1.00  2.270          H  
ATOM    230 1HD1 ILE A  16      12.125  -6.841   2.186  1.00  2.270          H  
ATOM    231 2HD1 ILE A  16      11.786  -5.204   1.643  1.00  2.270          H  
ATOM    232 3HD1 ILE A  16      13.447  -5.759   1.838  1.00  2.270          H  
ATOM    233  N   ARG A  17      14.331  -3.005   6.830  1.00  1.580          N  
ATOM    234  CA  ARG A  17      15.249  -3.381   7.897  1.00  1.870          C  
ATOM    235  C   ARG A  17      14.843  -2.716   9.222  1.00  1.780          C  
ATOM    236  O   ARG A  17      14.966  -3.321  10.291  1.00  2.040          O  
ATOM    237  CB  ARG A  17      16.667  -2.959   7.529  1.00  2.500          C  
ATOM    238  CG  ARG A  17      17.274  -3.711   6.343  1.00  2.500          C  
ATOM    239  CD  ARG A  17      18.622  -3.221   5.992  1.00  2.500          C  
ATOM    240  NE  ARG A  17      19.185  -3.967   4.870  1.00  2.500          N  
ATOM    241  CZ  ARG A  17      20.371  -3.706   4.276  1.00  2.500          C  
ATOM    242  NH1 ARG A  17      21.123  -2.705   4.688  1.00  2.500          N  
ATOM    243  NH2 ARG A  17      20.780  -4.468   3.278  1.00  2.500          N  
ATOM    244  H   ARG A  17      14.396  -2.061   6.471  1.00  1.900          H  
ATOM    245  HA  ARG A  17      15.217  -4.462   8.022  1.00  2.240          H  
ATOM    246 1HB  ARG A  17      16.672  -1.898   7.288  1.00  3.000          H  
ATOM    247 2HB  ARG A  17      17.320  -3.104   8.389  1.00  3.000          H  
ATOM    248 1HG  ARG A  17      17.333  -4.776   6.573  1.00  3.000          H  
ATOM    249 2HG  ARG A  17      16.655  -3.561   5.478  1.00  3.000          H  
ATOM    250 1HD  ARG A  17      18.559  -2.171   5.713  1.00  3.000          H  
ATOM    251 2HD  ARG A  17      19.283  -3.338   6.851  1.00  3.000          H  
ATOM    252  HE  ARG A  17      18.645  -4.749   4.515  1.00  3.000          H  
ATOM    253 1HH1 ARG A  17      20.819  -2.119   5.451  1.00  3.000          H  
ATOM    254 2HH1 ARG A  17      22.007  -2.519   4.236  1.00  3.000          H  
ATOM    255 1HH2 ARG A  17      20.206  -5.241   2.965  1.00  3.000          H  
ATOM    256 2HH2 ARG A  17      21.664  -4.285   2.828  1.00  3.000          H  
ATOM    257  N   LEU A  18      14.364  -1.468   9.133  1.00  1.530          N  
ATOM    258  CA  LEU A  18      13.940  -0.651  10.268  1.00  1.640          C  
ATOM    259  C   LEU A  18      12.688  -1.194  10.933  1.00  1.610          C  
ATOM    260  O   LEU A  18      12.524  -1.097  12.150  1.00  1.900          O  
ATOM    261  CB  LEU A  18      13.614   0.776   9.803  1.00  2.250          C  
ATOM    262  CG  LEU A  18      14.758   1.665   9.304  1.00  2.250          C  
ATOM    263  CD1 LEU A  18      14.140   2.916   8.684  1.00  2.250          C  
ATOM    264  CD2 LEU A  18      15.680   2.033  10.450  1.00  2.250          C  
ATOM    265  H   LEU A  18      14.326  -1.041   8.211  1.00  1.840          H  
ATOM    266  HA  LEU A  18      14.738  -0.646  11.005  1.00  1.970          H  
ATOM    267 1HB  LEU A  18      12.888   0.702   8.994  1.00  2.700          H  
ATOM    268 2HB  LEU A  18      13.138   1.295  10.630  1.00  2.700          H  
ATOM    269  HG  LEU A  18      15.328   1.147   8.546  1.00  2.700          H  
ATOM    270 1HD1 LEU A  18      14.931   3.565   8.310  1.00  2.700          H  
ATOM    271 2HD1 LEU A  18      13.489   2.633   7.860  1.00  2.700          H  
ATOM    272 3HD1 LEU A  18      13.559   3.448   9.436  1.00  2.700          H  
ATOM    273 1HD2 LEU A  18      16.477   2.675  10.077  1.00  2.700          H  
ATOM    274 2HD2 LEU A  18      15.115   2.563  11.216  1.00  2.700          H  
ATOM    275 3HD2 LEU A  18      16.119   1.138  10.878  1.00  2.700          H  
ATOM    276  N   GLY A  19      11.785  -1.752  10.125  1.00  1.410          N  
ATOM    277  CA  GLY A  19      10.514  -2.243  10.627  1.00  1.520          C  
ATOM    278  C   GLY A  19       9.444  -1.181  10.427  1.00  1.520          C  
ATOM    279  O   GLY A  19       8.509  -1.058  11.222  1.00  1.790          O  
ATOM    280  H   GLY A  19      11.974  -1.782   9.123  1.00  1.690          H  
ATOM    281 1HA  GLY A  19      10.241  -3.156  10.097  1.00  1.820          H  
ATOM    282 2HA  GLY A  19      10.604  -2.491  11.684  1.00  1.820          H  
ATOM    283  N   THR A  20       9.602  -0.396   9.358  1.00  1.340          N  
ATOM    284  CA  THR A  20       8.697   0.688   9.010  1.00  1.520          C  
ATOM    285  C   THR A  20       8.108   0.400   7.637  1.00  1.490          C  
ATOM    286  O   THR A  20       7.802   1.312   6.864  1.00  1.770          O  
ATOM    287  CB  THR A  20       9.415   2.040   8.985  1.00  2.060          C  
ATOM    288  OG1 THR A  20      10.453   1.984   8.035  1.00  2.060          O  
ATOM    289  CG2 THR A  20      10.027   2.323  10.343  1.00  2.060          C  
ATOM    290  H   THR A  20      10.384  -0.566   8.721  1.00  1.610          H  
ATOM    291  HA  THR A  20       7.881   0.726   9.732  1.00  1.820          H  
ATOM    292  HB  THR A  20       8.714   2.830   8.716  1.00  2.470          H  
ATOM    293  HG1 THR A  20      10.037   1.901   7.170  1.00  2.470          H  
ATOM    294 1HG2 THR A  20      10.550   3.275  10.315  1.00  2.470          H  
ATOM    295 2HG2 THR A  20       9.238   2.359  11.092  1.00  2.470          H  
ATOM    296 3HG2 THR A  20      10.727   1.534  10.599  1.00  2.470          H  
ATOM    297  N   ILE A  21       8.017  -0.886   7.331  1.00  1.300          N  
ATOM    298  CA  ILE A  21       7.488  -1.398   6.081  1.00  1.380          C  
ATOM    299  C   ILE A  21       5.993  -1.694   6.198  1.00  1.490          C  
ATOM    300  O   ILE A  21       5.573  -2.617   6.889  1.00  1.580          O  
ATOM    301  CB  ILE A  21       8.313  -2.668   5.674  1.00  1.900          C  
ATOM    302  CG1 ILE A  21       7.804  -3.231   4.356  1.00  1.900          C  
ATOM    303  CG2 ILE A  21       8.352  -3.751   6.788  1.00  1.900          C  
ATOM    304  CD1 ILE A  21       8.716  -4.272   3.672  1.00  1.900          C  
ATOM    305  H   ILE A  21       8.311  -1.536   8.041  1.00  1.560          H  
ATOM    306  HA  ILE A  21       7.627  -0.640   5.311  1.00  1.660          H  
ATOM    307  HB  ILE A  21       9.335  -2.345   5.495  1.00  2.280          H  
ATOM    308 1HG1 ILE A  21       6.846  -3.704   4.548  1.00  2.280          H  
ATOM    309 2HG1 ILE A  21       7.645  -2.419   3.686  1.00  2.280          H  
ATOM    310 1HG2 ILE A  21       8.978  -4.576   6.477  1.00  2.280          H  
ATOM    311 2HG2 ILE A  21       8.770  -3.332   7.693  1.00  2.280          H  
ATOM    312 3HG2 ILE A  21       7.362  -4.133   6.998  1.00  2.280          H  
ATOM    313 1HD1 ILE A  21       8.238  -4.603   2.745  1.00  2.280          H  
ATOM    314 2HD1 ILE A  21       9.671  -3.823   3.452  1.00  2.280          H  
ATOM    315 3HD1 ILE A  21       8.863  -5.128   4.314  1.00  2.280          H  
ATOM    316  N   ALA A  22       5.188  -0.904   5.482  1.00  1.670          N  
ATOM    317  CA  ALA A  22       3.726  -1.008   5.521  1.00  1.940          C  
ATOM    318  C   ALA A  22       3.189  -2.355   5.063  1.00  1.930          C  
ATOM    319  O   ALA A  22       2.192  -2.845   5.593  1.00  2.130          O  
ATOM    320  CB  ALA A  22       3.104   0.063   4.647  1.00  2.610          C  
ATOM    321  H   ALA A  22       5.612  -0.146   4.960  1.00  2.000          H  
ATOM    322  HA  ALA A  22       3.413  -0.856   6.555  1.00  2.330          H  
ATOM    323 1HB  ALA A  22       2.019   0.003   4.717  1.00  3.130          H  
ATOM    324 2HB  ALA A  22       3.433   1.053   4.978  1.00  3.130          H  
ATOM    325 3HB  ALA A  22       3.397  -0.079   3.616  1.00  3.130          H  
ATOM    326  N   GLU A  23       3.822  -2.928   4.050  1.00  1.820          N  
ATOM    327  CA  GLU A  23       3.384  -4.196   3.504  1.00  1.910          C  
ATOM    328  C   GLU A  23       4.612  -5.040   3.186  1.00  1.760          C  
ATOM    329  O   GLU A  23       5.563  -4.524   2.602  1.00  2.110          O  
ATOM    330  CB  GLU A  23       2.552  -3.994   2.228  1.00  2.640          C  
ATOM    331  CG  GLU A  23       1.232  -3.237   2.416  1.00  2.640          C  
ATOM    332  CD  GLU A  23       0.415  -3.158   1.135  1.00  2.640          C  
ATOM    333  OE1 GLU A  23       0.793  -3.799   0.187  1.00  2.640          O  
ATOM    334  OE2 GLU A  23      -0.525  -2.387   1.066  1.00  2.640          O  
ATOM    335  H   GLU A  23       4.637  -2.478   3.662  1.00  2.180          H  
ATOM    336  HA  GLU A  23       2.762  -4.672   4.252  1.00  2.290          H  
ATOM    337 1HB  GLU A  23       3.145  -3.438   1.500  1.00  3.170          H  
ATOM    338 2HB  GLU A  23       2.324  -4.963   1.782  1.00  3.170          H  
ATOM    339 1HG  GLU A  23       0.649  -3.734   3.190  1.00  3.170          H  
ATOM    340 2HG  GLU A  23       1.448  -2.226   2.756  1.00  3.170          H  
ATOM    341  N   PRO A  24       4.608  -6.339   3.498  1.00  1.710          N  
ATOM    342  CA  PRO A  24       5.694  -7.252   3.243  1.00  1.810          C  
ATOM    343  C   PRO A  24       5.826  -7.535   1.767  1.00  2.190          C  
ATOM    344  O   PRO A  24       4.844  -7.488   1.025  1.00  2.780          O  
ATOM    345  CB  PRO A  24       5.274  -8.506   4.010  1.00  2.710          C  
ATOM    346  CG  PRO A  24       3.758  -8.445   4.035  1.00  2.710          C  
ATOM    347  CD  PRO A  24       3.423  -6.966   4.121  1.00  2.710          C  
ATOM    348  HA  PRO A  24       6.629  -6.831   3.645  1.00  2.170          H  
ATOM    349 1HB  PRO A  24       5.653  -9.402   3.485  1.00  3.260          H  
ATOM    350 2HB  PRO A  24       5.733  -8.511   5.010  1.00  3.260          H  
ATOM    351 1HG  PRO A  24       3.351  -8.912   3.122  1.00  3.260          H  
ATOM    352 2HG  PRO A  24       3.367  -9.024   4.888  1.00  3.260          H  
ATOM    353 1HD  PRO A  24       2.516  -6.777   3.525  1.00  3.260          H  
ATOM    354 2HD  PRO A  24       3.317  -6.657   5.176  1.00  3.260          H  
ATOM    355  N   ILE A  25       7.024  -7.902   1.375  1.00  2.520          N  
ATOM    356  CA  ILE A  25       7.330  -8.322   0.027  1.00  3.190          C  
ATOM    357  C   ILE A  25       7.949  -9.709   0.046  1.00  2.670          C  
ATOM    358  O   ILE A  25       8.325 -10.221   1.096  1.00  2.580          O  
ATOM    359  CB  ILE A  25       8.263  -7.356  -0.719  1.00  4.200          C  
ATOM    360  CG1 ILE A  25       9.633  -7.237  -0.029  1.00  4.200          C  
ATOM    361  CG2 ILE A  25       7.560  -5.979  -0.831  1.00  4.200          C  
ATOM    362  CD1 ILE A  25      10.688  -6.606  -0.915  1.00  4.200          C  
ATOM    363  H   ILE A  25       7.759  -7.906   2.065  1.00  3.020          H  
ATOM    364  HA  ILE A  25       6.398  -8.378  -0.536  1.00  3.830          H  
ATOM    365  HB  ILE A  25       8.448  -7.742  -1.682  1.00  5.040          H  
ATOM    366 1HG1 ILE A  25       9.522  -6.615   0.857  1.00  5.040          H  
ATOM    367 2HG1 ILE A  25       9.990  -8.199   0.275  1.00  5.040          H  
ATOM    368 1HG2 ILE A  25       8.169  -5.277  -1.383  1.00  5.040          H  
ATOM    369 2HG2 ILE A  25       6.611  -6.105  -1.348  1.00  5.040          H  
ATOM    370 3HG2 ILE A  25       7.369  -5.578   0.166  1.00  5.040          H  
ATOM    371 1HD1 ILE A  25      11.629  -6.523  -0.389  1.00  5.040          H  
ATOM    372 2HD1 ILE A  25      10.831  -7.220  -1.800  1.00  5.040          H  
ATOM    373 3HD1 ILE A  25      10.399  -5.639  -1.229  1.00  5.040          H  
ATOM    374  N   ASN A  26       8.110 -10.296  -1.125  1.00  2.840          N  
ATOM    375  CA  ASN A  26       8.687 -11.629  -1.274  1.00  2.890          C  
ATOM    376  C   ASN A  26      10.118 -11.767  -0.722  1.00  2.500          C  
ATOM    377  O   ASN A  26      10.586 -12.872  -0.458  1.00  2.570          O  
ATOM    378  CB  ASN A  26       8.679 -12.009  -2.740  1.00  4.030          C  
ATOM    379  CG  ASN A  26       7.295 -12.276  -3.259  1.00  4.030          C  
ATOM    380  OD1 ASN A  26       6.353 -12.518  -2.498  1.00  4.030          O  
ATOM    381  ND2 ASN A  26       7.150 -12.226  -4.556  1.00  4.030          N  
ATOM    382  H   ASN A  26       7.776  -9.820  -1.952  1.00  3.410          H  
ATOM    383  HA  ASN A  26       8.063 -12.333  -0.720  1.00  3.470          H  
ATOM    384 1HB  ASN A  26       9.129 -11.203  -3.326  1.00  4.830          H  
ATOM    385 2HB  ASN A  26       9.292 -12.899  -2.887  1.00  4.830          H  
ATOM    386 1HD2 ASN A  26       6.251 -12.390  -4.965  1.00  4.830          H  
ATOM    387 2HD2 ASN A  26       7.934 -12.025  -5.144  1.00  4.830          H  
ATOM    388  N   LEU A  27      10.824 -10.650  -0.588  1.00  2.440          N  
ATOM    389  CA  LEU A  27      12.209 -10.633  -0.132  1.00  2.640          C  
ATOM    390  C   LEU A  27      12.388 -10.442   1.392  1.00  2.460          C  
ATOM    391  O   LEU A  27      13.526 -10.336   1.859  1.00  3.210          O  
ATOM    392  CB  LEU A  27      12.943  -9.524  -0.897  1.00  3.620          C  
ATOM    393  CG  LEU A  27      12.911  -9.657  -2.478  1.00  3.620          C  
ATOM    394  CD1 LEU A  27      13.550  -8.438  -3.114  1.00  3.620          C  
ATOM    395  CD2 LEU A  27      13.639 -10.919  -2.926  1.00  3.620          C  
ATOM    396  H   LEU A  27      10.371  -9.783  -0.819  1.00  2.930          H  
ATOM    397  HA  LEU A  27      12.654 -11.592  -0.375  1.00  3.170          H  
ATOM    398 1HB  LEU A  27      12.533  -8.586  -0.618  1.00  4.340          H  
ATOM    399 2HB  LEU A  27      13.989  -9.536  -0.588  1.00  4.340          H  
ATOM    400  HG  LEU A  27      11.875  -9.698  -2.815  1.00  4.340          H  
ATOM    401 1HD1 LEU A  27      13.499  -8.523  -4.202  1.00  4.340          H  
ATOM    402 2HD1 LEU A  27      13.018  -7.540  -2.807  1.00  4.340          H  
ATOM    403 3HD1 LEU A  27      14.575  -8.380  -2.811  1.00  4.340          H  
ATOM    404 1HD2 LEU A  27      13.600 -10.987  -4.013  1.00  4.340          H  
ATOM    405 2HD2 LEU A  27      14.680 -10.877  -2.603  1.00  4.340          H  
ATOM    406 3HD2 LEU A  27      13.167 -11.799  -2.505  1.00  4.340          H  
ATOM    407  N   ILE A  28      11.288 -10.369   2.157  1.00  2.080          N  
ATOM    408  CA  ILE A  28      11.346 -10.234   3.626  1.00  2.560          C  
ATOM    409  C   ILE A  28      10.658 -11.398   4.346  1.00  3.110          C  
ATOM    410  O   ILE A  28      11.341 -12.264   4.891  1.00  3.880          O  
ATOM    411  OXT ILE A  28       9.468 -11.309   4.638  1.00  3.840          O  
ATOM    412  CB  ILE A  28      10.805  -8.860   4.131  1.00  3.170          C  
ATOM    413  CG1 ILE A  28      10.867  -8.802   5.692  1.00  3.170          C  
ATOM    414  CG2 ILE A  28       9.434  -8.527   3.570  1.00  3.170          C  
ATOM    415  CD1 ILE A  28      10.678  -7.399   6.311  1.00  3.170          C  
ATOM    416  H   ILE A  28      10.369 -10.449   1.709  1.00  2.500          H  
ATOM    417  HA  ILE A  28      12.395 -10.262   3.915  1.00  3.070          H  
ATOM    418  HB  ILE A  28      11.486  -8.119   3.803  1.00  3.800          H  
ATOM    419 1HG1 ILE A  28      10.088  -9.449   6.092  1.00  3.800          H  
ATOM    420 2HG1 ILE A  28      11.831  -9.192   6.009  1.00  3.800          H  
ATOM    421 1HG2 ILE A  28       9.122  -7.544   3.896  1.00  3.800          H  
ATOM    422 2HG2 ILE A  28       9.519  -8.544   2.513  1.00  3.800          H  
ATOM    423 3HG2 ILE A  28       8.697  -9.259   3.887  1.00  3.800          H  
ATOM    424 1HD1 ILE A  28      10.739  -7.479   7.396  1.00  3.800          H  
ATOM    425 2HD1 ILE A  28      11.458  -6.737   5.967  1.00  3.800          H  
ATOM    426 3HD1 ILE A  28       9.711  -6.991   6.042  1.00  3.800          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 -122.765 14.4004 82.377 -7.98807 3.64846 6.23528 39.6203 -46.7348 -0.19061 -1.56204 -20.5003 -12.2203 -8.84208 -1.92643 -4.95246 -2.25732 0 -0.79244 1.99321 14.0892 22.0918 -8.68897 5.83166 -15.9022 -2.88797 15.9691 -51.9547
SER:NtermProteinFull_1 -2.50651 0.43451 2.99522 -0.03275 6e-05 0.06332 0.7782 -1.22026 -0.00363 -0.02311 -2.19307 -1.4914 0 0 -0.49883 0 0 0.01243 0 0.3005 0 0 0.60046 -0.77834 0 0.0522 -3.511
ASP_2 -3.48073 0.20385 3.89212 -0.09299 0.00756 0.26651 1.31294 -1.78237 -0.01134 -0.07915 -0.97347 0.04138 0 0 0 0 0 0.00268 0.00068 0 1.75578 -0.31861 0 -2.3716 -0.14984 0.21253 -1.56406
GLU_3 -1.59384 0.11118 2.27504 -0.46302 0.2673 1.4468 0.44992 -0.96697 -0.02389 -0.14047 -0.10089 -3.02452 0 0 0 0 0 -0.07886 0.0074 0 3.92064 -0.35489 0 -2.7348 -0.50823 0.32127 -1.19081
ASP_4 -3.50225 0.24323 4.02797 -0.12238 0.02842 0.37829 1.57242 -1.74896 -0.0353 -0.17915 -2.08 -0.28878 0 0 0 -1.12866 0 0.07002 0.04348 0 2.30353 -0.33614 0 -2.3716 -0.77688 0.49304 -3.40969
LEU_5 -7.60989 1.03938 2.96692 -0.48185 0.22984 0.10529 1.66874 -2.227 -0.00363 -0.02311 -0.62873 0.14106 0 0 0 0 0 -0.02542 0.38811 0.77114 0 -0.30443 0 0.18072 -0.5063 0.64934 -3.66979
SER_6 -4.17327 0.32622 4.55386 -0.03036 3e-05 0.05573 2.95598 -2.23152 -0.02188 -0.20054 -1.82931 -1.05215 0 0 -1.97739 0 0 -0.00907 0.09066 0.45743 0 -0.37978 0.63594 -0.77834 0.01316 0.55916 -3.03544
THR_7 -3.6081 0.28901 1.77658 -0.12835 0.04653 0.06638 0.73161 -1.16544 -0.01047 -0.16185 0.3875 -0.8471 0 0 0 0 0 0.01142 0.02741 0.05565 0 0.00867 2.2853 -1.0874 0.0295 0.34599 -0.94716
GLU_8 -2.22934 0.29604 2.06197 -0.22951 0.04271 0.36992 0.82663 -0.95412 -0 -0 -0.51937 -0.56649 0 0 -0.89464 0 0 0.0069 0.00179 0 2.92339 -0.04406 0 -2.7348 -0.29332 0.20316 -1.73315
GLN_9 -5.85651 0.60401 5.17477 -0.40366 0.10868 0.31885 1.92581 -2.59546 -0.003 -0.03547 -0.09844 -0.47435 0 0 0 0 0 -0.05246 0.01241 0 3.12809 0.18 0 -0.18838 0.2082 0.93153 2.88462
PRO_10 -3.40714 0.68289 0.71423 -0.08715 0.00021 0.05477 0.38954 -0.62241 -0 -0 -0.18244 0.68171 0 0 0 0 0 -0.07861 0.01989 0.46001 0 -0.13095 0 -2.4119 0.21508 1.11202 -2.59025
VAL_11 -4.78614 0.574 2.25277 -0.29631 0.26698 0.07737 1.45114 -1.72664 -0 -0 -0.25582 -0.77139 0 0 0 0 0 0.00884 0.02196 0.21278 0 -0.04804 0 1.9342 0.2078 0.46305 -0.41345
HIS_D_12 -10.6464 1.57569 7.90188 -0.45508 0.12355 0.5412 4.11593 -4.19808 -0.003 -0.03547 -1.73491 -0.57164 0 0 -1.08276 0 0 0.00307 0.02673 0 3.12286 -0.11662 0 -0.45461 0.94019 0.79708 -0.15034
GLY_13 -1.43156 0.21244 1.71378 -5e-05 0 0 0.9882 -0.88409 -0 -0 -0.99094 -0.44063 0 0 0 0 0 -0.02128 0 0 0 -1.19677 0 0.83697 0.13762 0.72381 -0.35251
GLY_14 -3.89158 0.67083 3.8976 -6e-05 0 0 2.27677 -2.06715 -0.0137 -0.15525 -1.93701 -0.38305 0 0 0 0 0 -0.1189 0 0 0 -1.50582 0 0.83697 -0.84598 0.39171 -2.84463
ARG_15 -7.62203 0.54098 7.93954 -0.55704 0.04969 0.28255 4.25238 -3.46322 -0.01552 -0.13716 -4.8651 0.46007 0 0 0 -1.12866 0 -0.04894 0.26545 2.73252 0 -0.15644 0 -1.2888 -0.68603 1.12271 -2.32305
ILE_16 -7.8544 1.02216 2.37638 -0.59455 0.35923 0.17958 1.33094 -2.16778 -0 -0 0.40269 0.10797 0 0 0 0 0 -0.09913 0.04416 1.47172 0 0.36545 0 0.73287 -0.35344 1.20453 -1.47162
ARG_17 -3.81588 0.3782 2.78386 -0.42716 0.045 0.21699 1.11838 -1.56427 -0 -0 0.0247 0.1942 0 0 0 0 0 0.00781 0.01234 2.09782 0 -0.08916 0 -1.2888 0.03873 0.48979 0.22256
LEU_18 -3.97955 0.19946 2.96355 -0.49105 0.16913 0.11829 1.33637 -1.58703 -0 -0 -0.49065 0.23256 0 0 0 0 0 -0.04481 0.05461 0.31963 0 -0.31012 0 0.18072 0.00983 0.30061 -1.01846
GLY_19 -1.91549 0.11376 2.11923 -6e-05 0 0 1.0808 -1.15503 -0.00733 -0.05028 -0.04585 -0.37483 0 0 0 0 0 -0.08198 0 0 0 -1.51902 0 0.83697 0.13867 0.22917 -0.63128
THR_20 -3.87924 0.19723 3.28662 -0.14498 0.07788 0.1034 1.26543 -1.60284 -0.02189 -0.24212 -0.78619 -1.17468 0 0 0 0 0 -0.04956 0.05995 0.0485 0 -0.29734 2.30995 -1.0874 0.4206 0.28739 -1.2293
ILE_21 -6.6032 0.51887 1.57547 -0.60245 0.61814 0.16951 0.9992 -1.71115 -0 -0 0.80062 -0.06233 0 0 0 0 0 -0.03912 0.20061 2.33155 0 -0.47104 0 0.73287 -0.05806 0.61223 -0.98829
ALA_22 -2.2405 0.14312 1.15041 -0.02349 0 0 0.15141 -0.81814 -0.01134 -0.07915 0.18882 -0.35118 0 0 0 0 0 -0.06072 0 0 0 -0.3171 0 1.8394 -0.46943 0.49633 -0.40156
GLU_23 -4.40688 0.83258 4.51971 -0.20445 0.02777 0.30483 1.68116 -2.08542 -0 -0 -2.16883 -0.66749 0 0 -0.49883 0 0 -0.00454 0.0392 0 3.38633 -0.10277 0 -2.7348 0.05843 0.79195 -1.23208
PRO_24 -2.22316 0.33711 0.53693 -0.19713 0.00373 0.14152 0.09245 -0.43862 -0 -0 -0.17667 0.03083 0 0 0 0 0 0.00167 0.00477 0.47451 0 -0.9495 0 -2.4119 0.11453 0.85049 -3.80844
ILE_25 -8.39571 1.45369 2.73498 -0.52666 0.29707 0.13073 2.10006 -2.47131 -0.00235 -0.00989 0.00086 -0.09079 0 0 0 0 0 -0.0266 0.2826 0.51829 0 -0.28317 0 0.73287 -0.21675 0.44126 -3.3308
ASN_26 -2.23582 0.07461 1.5964 -0.18866 0.02959 0.29181 0.56408 -0.8412 -0 -0 0.52953 -0.34921 0 0 0 0 0 -0.09353 0.03955 0 1.55122 0.13468 0 -0.93687 0.02937 0.37942 0.57497
LEU_27 -4.71754 0.69339 1.38956 -0.513 0.26026 0.14929 0.67813 -1.207 -0 -0 -0.08743 0.11479 0 0 0 0 0 0.01626 0.19415 0.11015 0 -0.14603 0 0.18072 -0.28756 0.397 -2.77487
ILE:CtermProteinFull_28 -4.15256 0.63201 1.19962 -0.69387 0.58908 0.40237 1.52569 -1.23129 -0.00235 -0.00989 -0.68991 -1.24284 0 0 0 0 0 0 0.1553 1.72702 0 0 0 0.73287 -0.29786 1.11034 -0.24628
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 699803 DOMAINID 690196 MODEL 4 LI0649-2
MODEL     4
REMARK    Rerank model02.pdb to model04.pdb score: 3.775
REMARK    CLUSTER 0002 t000_.out.valid.rescored.best_scoring.binary cluster_size: 14 cluster_threshold: 3.238783
REMARK    SCORE     hbond_sr_bb:          -8.822
REMARK    SCORE          fa_rep:          14.558
REMARK    SCORE     rama_prepro:          -2.586
REMARK    SCORE     hbond_lr_bb:          -0.861
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE         p_aa_pp:          -7.940
REMARK    SCORE         fa_elec:         -25.743
REMARK    SCORE           omega:           0.027
REMARK    SCORE fa_intra_sol_xover4:           4.979
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE            time:           0.000
REMARK    SCORE     cart_bonded:          17.219
REMARK    SCORE        hbond_sc:          -3.414
REMARK    SCORE     lk_ball_wtd:          -4.755
REMARK    SCORE             ref:           3.253
REMARK    SCORE          fa_dun:          32.825
REMARK    SCORE     hbond_bb_sc:          -5.354
REMARK    SCORE           score:         -45.938
REMARK    SCORE     description: cluster0002_0001
REMARK    SCORE          fa_sol:          60.740
REMARK    SCORE     total_score:         -45.938
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE          fa_atr:        -120.349
REMARK    SCORE    fa_intra_rep:           0.285
ATOM      1  N   SER A   1       0.035   0.073  -0.388  1.00  4.730          N  
ATOM      2  CA  SER A   1       1.481  -0.039  -0.276  1.00  4.100          C  
ATOM      3  C   SER A   1       2.132   1.299   0.013  1.00  3.180          C  
ATOM      4  O   SER A   1       1.906   2.296  -0.684  1.00  3.180          O  
ATOM      5  CB  SER A   1       2.046  -0.609  -1.554  1.00  5.990          C  
ATOM      6  OG  SER A   1       1.594  -1.908  -1.753  1.00  5.990          O  
ATOM      7 1H   SER A   1      -0.342  -0.828  -0.645  1.00  5.680          H  
ATOM      8 2H   SER A   1      -0.354   0.366   0.497  1.00  5.680          H  
ATOM      9 3H   SER A   1      -0.194   0.750  -1.102  1.00  5.680          H  
ATOM     10  HA  SER A   1       1.712  -0.717   0.548  1.00  4.920          H  
ATOM     11 1HB  SER A   1       1.750   0.017  -2.398  1.00  7.190          H  
ATOM     12 2HB  SER A   1       3.132  -0.599  -1.515  1.00  7.190          H  
ATOM     13  HG  SER A   1       2.023  -2.201  -2.562  1.00  7.190          H  
ATOM     14  N   ASP A   2       2.967   1.347   1.039  1.00  2.880          N  
ATOM     15  CA  ASP A   2       3.621   2.610   1.322  1.00  2.460          C  
ATOM     16  C   ASP A   2       4.848   2.738   0.434  1.00  2.090          C  
ATOM     17  O   ASP A   2       5.933   2.206   0.720  1.00  2.230          O  
ATOM     18  CB  ASP A   2       4.010   2.766   2.784  1.00  3.610          C  
ATOM     19  CG  ASP A   2       4.525   4.173   3.072  1.00  3.610          C  
ATOM     20  OD1 ASP A   2       4.826   4.912   2.120  1.00  3.610          O  
ATOM     21  OD2 ASP A   2       4.591   4.525   4.234  1.00  3.610          O  
ATOM     22  H   ASP A   2       3.150   0.523   1.617  1.00  3.460          H  
ATOM     23  HA  ASP A   2       2.939   3.425   1.076  1.00  2.950          H  
ATOM     24 1HB  ASP A   2       3.153   2.552   3.423  1.00  4.330          H  
ATOM     25 2HB  ASP A   2       4.795   2.054   3.029  1.00  4.330          H  
ATOM     26  N   GLU A   3       4.622   3.415  -0.686  1.00  2.100          N  
ATOM     27  CA  GLU A   3       5.606   3.636  -1.736  1.00  2.240          C  
ATOM     28  C   GLU A   3       6.245   5.035  -1.647  1.00  2.220          C  
ATOM     29  O   GLU A   3       6.938   5.463  -2.572  1.00  2.680          O  
ATOM     30  CB  GLU A   3       4.966   3.418  -3.117  1.00  3.080          C  
ATOM     31  CG  GLU A   3       4.452   1.974  -3.353  1.00  3.080          C  
ATOM     32  CD  GLU A   3       3.845   1.743  -4.742  1.00  3.080          C  
ATOM     33  OE1 GLU A   3       3.917   2.634  -5.562  1.00  3.080          O  
ATOM     34  OE2 GLU A   3       3.306   0.675  -4.975  1.00  3.080          O  
ATOM     35  H   GLU A   3       3.665   3.755  -0.816  1.00  2.520          H  
ATOM     36  HA  GLU A   3       6.382   2.894  -1.626  1.00  2.690          H  
ATOM     37 1HB  GLU A   3       4.126   4.103  -3.241  1.00  3.700          H  
ATOM     38 2HB  GLU A   3       5.694   3.644  -3.893  1.00  3.700          H  
ATOM     39 1HG  GLU A   3       5.285   1.280  -3.209  1.00  3.700          H  
ATOM     40 2HG  GLU A   3       3.708   1.752  -2.600  1.00  3.700          H  
ATOM     41  N   ASP A   4       5.990   5.763  -0.544  1.00  2.000          N  
ATOM     42  CA  ASP A   4       6.473   7.144  -0.369  1.00  2.310          C  
ATOM     43  C   ASP A   4       7.659   7.285   0.597  1.00  1.960          C  
ATOM     44  O   ASP A   4       7.921   8.370   1.124  1.00  2.260          O  
ATOM     45  CB  ASP A   4       5.325   8.031   0.123  1.00  3.110          C  
ATOM     46  CG  ASP A   4       4.186   8.211  -0.908  1.00  3.110          C  
ATOM     47  OD1 ASP A   4       4.469   8.362  -2.076  1.00  3.110          O  
ATOM     48  OD2 ASP A   4       3.042   8.211  -0.506  1.00  3.110          O  
ATOM     49  H   ASP A   4       5.440   5.342   0.228  1.00  2.400          H  
ATOM     50  HA  ASP A   4       6.795   7.513  -1.342  1.00  2.770          H  
ATOM     51 1HB  ASP A   4       4.905   7.587   1.033  1.00  3.730          H  
ATOM     52 2HB  ASP A   4       5.712   9.012   0.388  1.00  3.730          H  
ATOM     53  N   LEU A   5       8.341   6.185   0.857  1.00  1.710          N  
ATOM     54  CA  LEU A   5       9.448   6.126   1.798  1.00  1.690          C  
ATOM     55  C   LEU A   5      10.791   6.555   1.236  1.00  1.860          C  
ATOM     56  O   LEU A   5      10.994   6.578   0.027  1.00  2.210          O  
ATOM     57  CB  LEU A   5       9.517   4.709   2.364  1.00  2.370          C  
ATOM     58  CG  LEU A   5       8.234   4.259   3.141  1.00  2.370          C  
ATOM     59  CD1 LEU A   5       8.361   2.833   3.504  1.00  2.370          C  
ATOM     60  CD2 LEU A   5       8.045   5.091   4.408  1.00  2.370          C  
ATOM     61  H   LEU A   5       8.085   5.340   0.369  1.00  2.050          H  
ATOM     62  HA  LEU A   5       9.230   6.817   2.605  1.00  2.030          H  
ATOM     63 1HB  LEU A   5       9.672   4.013   1.538  1.00  2.850          H  
ATOM     64 2HB  LEU A   5      10.377   4.629   3.036  1.00  2.850          H  
ATOM     65  HG  LEU A   5       7.356   4.370   2.503  1.00  2.850          H  
ATOM     66 1HD1 LEU A   5       7.469   2.509   4.037  1.00  2.850          H  
ATOM     67 2HD1 LEU A   5       8.462   2.265   2.626  1.00  2.850          H  
ATOM     68 3HD1 LEU A   5       9.223   2.691   4.121  1.00  2.850          H  
ATOM     69 1HD2 LEU A   5       7.148   4.740   4.929  1.00  2.850          H  
ATOM     70 2HD2 LEU A   5       8.907   4.976   5.054  1.00  2.850          H  
ATOM     71 3HD2 LEU A   5       7.910   6.136   4.170  1.00  2.850          H  
ATOM     72  N   SER A   6      11.674   6.955   2.155  1.00  1.920          N  
ATOM     73  CA  SER A   6      13.036   7.423   1.911  1.00  2.210          C  
ATOM     74  C   SER A   6      13.969   6.268   1.633  1.00  1.980          C  
ATOM     75  O   SER A   6      13.539   5.135   1.460  1.00  2.320          O  
ATOM     76  CB  SER A   6      13.578   8.155   3.120  1.00  2.980          C  
ATOM     77  OG  SER A   6      13.913   7.236   4.140  1.00  2.980          O  
ATOM     78  H   SER A   6      11.392   6.910   3.123  1.00  2.300          H  
ATOM     79  HA  SER A   6      13.029   8.087   1.045  1.00  2.650          H  
ATOM     80 1HB  SER A   6      14.450   8.744   2.845  1.00  3.570          H  
ATOM     81 2HB  SER A   6      12.823   8.848   3.488  1.00  3.570          H  
ATOM     82  HG  SER A   6      14.209   7.775   4.890  1.00  3.570          H  
ATOM     83  N   THR A   7      15.262   6.576   1.573  1.00  1.900          N  
ATOM     84  CA  THR A   7      16.319   5.639   1.219  1.00  2.120          C  
ATOM     85  C   THR A   7      16.712   4.656   2.320  1.00  1.930          C  
ATOM     86  O   THR A   7      17.500   3.741   2.074  1.00  2.350          O  
ATOM     87  CB  THR A   7      17.575   6.433   0.817  1.00  2.880          C  
ATOM     88  OG1 THR A   7      18.015   7.232   1.929  1.00  2.880          O  
ATOM     89  CG2 THR A   7      17.242   7.355  -0.332  1.00  2.880          C  
ATOM     90  H   THR A   7      15.542   7.529   1.761  1.00  2.280          H  
ATOM     91  HA  THR A   7      15.982   5.053   0.377  1.00  2.540          H  
ATOM     92  HB  THR A   7      18.370   5.745   0.513  1.00  3.460          H  
ATOM     93  HG1 THR A   7      18.466   6.666   2.571  1.00  3.460          H  
ATOM     94 1HG2 THR A   7      18.135   7.914  -0.613  1.00  3.460          H  
ATOM     95 2HG2 THR A   7      16.910   6.758  -1.157  1.00  3.460          H  
ATOM     96 3HG2 THR A   7      16.457   8.049  -0.051  1.00  3.460          H  
ATOM     97  N   GLU A   8      16.213   4.856   3.542  1.00  1.650          N  
ATOM     98  CA  GLU A   8      16.597   3.956   4.633  1.00  1.750          C  
ATOM     99  C   GLU A   8      15.554   2.883   4.976  1.00  1.610          C  
ATOM    100  O   GLU A   8      15.910   1.742   5.273  1.00  2.030          O  
ATOM    101  CB  GLU A   8      16.906   4.769   5.893  1.00  2.410          C  
ATOM    102  CG  GLU A   8      18.127   5.686   5.771  1.00  2.410          C  
ATOM    103  CD  GLU A   8      18.392   6.482   7.025  1.00  2.410          C  
ATOM    104  OE1 GLU A   8      17.584   6.416   7.921  1.00  2.410          O  
ATOM    105  OE2 GLU A   8      19.397   7.150   7.086  1.00  2.410          O  
ATOM    106  H   GLU A   8      15.561   5.626   3.687  1.00  1.980          H  
ATOM    107  HA  GLU A   8      17.509   3.441   4.338  1.00  2.100          H  
ATOM    108 1HB  GLU A   8      16.044   5.389   6.142  1.00  2.890          H  
ATOM    109 2HB  GLU A   8      17.074   4.090   6.729  1.00  2.890          H  
ATOM    110 1HG  GLU A   8      19.001   5.077   5.545  1.00  2.890          H  
ATOM    111 2HG  GLU A   8      17.970   6.371   4.938  1.00  2.890          H  
ATOM    112  N   GLN A   9      14.277   3.242   4.959  1.00  1.260          N  
ATOM    113  CA  GLN A   9      13.217   2.318   5.338  1.00  1.330          C  
ATOM    114  C   GLN A   9      12.738   1.543   4.114  1.00  1.360          C  
ATOM    115  O   GLN A   9      12.401   2.181   3.129  1.00  1.460          O  
ATOM    116  CB  GLN A   9      12.039   3.079   5.938  1.00  1.830          C  
ATOM    117  CG  GLN A   9      10.928   2.197   6.438  1.00  1.830          C  
ATOM    118  CD  GLN A   9       9.794   2.981   6.996  1.00  1.830          C  
ATOM    119  OE1 GLN A   9       9.930   4.160   7.332  1.00  1.830          O  
ATOM    120  NE2 GLN A   9       8.649   2.337   7.091  1.00  1.830          N  
ATOM    121  H   GLN A   9      14.045   4.186   4.690  1.00  1.510          H  
ATOM    122  HA  GLN A   9      13.610   1.661   6.101  1.00  1.600          H  
ATOM    123 1HB  GLN A   9      12.388   3.691   6.770  1.00  2.200          H  
ATOM    124 2HB  GLN A   9      11.620   3.751   5.189  1.00  2.200          H  
ATOM    125 1HG  GLN A   9      10.549   1.576   5.628  1.00  2.200          H  
ATOM    126 2HG  GLN A   9      11.319   1.567   7.235  1.00  2.200          H  
ATOM    127 1HE2 GLN A   9       7.834   2.799   7.448  1.00  2.200          H  
ATOM    128 2HE2 GLN A   9       8.605   1.386   6.792  1.00  2.200          H  
ATOM    129  N   PRO A  10      12.611   0.196   4.151  1.00  1.750          N  
ATOM    130  CA  PRO A  10      12.144  -0.636   3.048  1.00  1.980          C  
ATOM    131  C   PRO A  10      10.830  -0.141   2.500  1.00  1.640          C  
ATOM    132  O   PRO A  10       9.921   0.199   3.255  1.00  1.530          O  
ATOM    133  CB  PRO A  10      12.002  -2.011   3.705  1.00  2.970          C  
ATOM    134  CG  PRO A  10      13.037  -2.005   4.802  1.00  2.970          C  
ATOM    135  CD  PRO A  10      13.028  -0.583   5.343  1.00  2.970          C  
ATOM    136  HA  PRO A  10      12.886  -0.679   2.254  1.00  2.380          H  
ATOM    137 1HB  PRO A  10      10.975  -2.143   4.079  1.00  3.560          H  
ATOM    138 2HB  PRO A  10      12.171  -2.802   2.958  1.00  3.560          H  
ATOM    139 1HG  PRO A  10      12.777  -2.751   5.570  1.00  3.560          H  
ATOM    140 2HG  PRO A  10      14.022  -2.294   4.399  1.00  3.560          H  
ATOM    141 1HD  PRO A  10      12.311  -0.474   6.165  1.00  3.560          H  
ATOM    142 2HD  PRO A  10      14.065  -0.346   5.635  1.00  3.560          H  
ATOM    143  N   VAL A  11      10.728  -0.176   1.180  1.00  1.860          N  
ATOM    144  CA  VAL A  11       9.566   0.293   0.453  1.00  1.910          C  
ATOM    145  C   VAL A  11       8.694  -0.902   0.213  1.00  1.960          C  
ATOM    146  O   VAL A  11       9.196  -1.991  -0.092  1.00  2.120          O  
ATOM    147  CB  VAL A  11       9.970   0.988  -0.860  1.00  2.650          C  
ATOM    148  CG1 VAL A  11      10.622   0.042  -1.787  1.00  2.650          C  
ATOM    149  CG2 VAL A  11       8.778   1.595  -1.500  1.00  2.650          C  
ATOM    150  H   VAL A  11      11.507  -0.546   0.659  1.00  2.230          H  
ATOM    151  HA  VAL A  11       9.019   1.002   1.053  1.00  2.290          H  
ATOM    152  HB  VAL A  11      10.681   1.772  -0.625  1.00  3.180          H  
ATOM    153 1HG1 VAL A  11      10.887   0.571  -2.657  1.00  3.180          H  
ATOM    154 2HG1 VAL A  11      11.493  -0.374  -1.338  1.00  3.180          H  
ATOM    155 3HG1 VAL A  11       9.940  -0.742  -2.048  1.00  3.180          H  
ATOM    156 1HG2 VAL A  11       9.072   2.119  -2.408  1.00  3.180          H  
ATOM    157 2HG2 VAL A  11       8.042   0.826  -1.759  1.00  3.180          H  
ATOM    158 3HG2 VAL A  11       8.346   2.302  -0.795  1.00  3.180          H  
ATOM    159  N   HIS A  12       7.401  -0.740   0.421  1.00  2.320          N  
ATOM    160  CA  HIS A  12       6.545  -1.885   0.301  1.00  2.670          C  
ATOM    161  C   HIS A  12       6.621  -2.481  -1.092  1.00  2.260          C  
ATOM    162  O   HIS A  12       6.670  -1.779  -2.105  1.00  2.690          O  
ATOM    163  CB  HIS A  12       5.119  -1.498   0.664  1.00  3.600          C  
ATOM    164  CG  HIS A  12       4.951  -1.143   2.136  1.00  3.600          C  
ATOM    165  ND1 HIS A  12       3.710  -0.957   2.724  1.00  3.600          N  
ATOM    166  CD2 HIS A  12       5.866  -0.933   3.128  1.00  3.600          C  
ATOM    167  CE1 HIS A  12       3.872  -0.655   4.010  1.00  3.600          C  
ATOM    168  NE2 HIS A  12       5.163  -0.636   4.271  1.00  3.600          N  
ATOM    169  H   HIS A  12       7.009   0.183   0.649  1.00  2.780          H  
ATOM    170  HA  HIS A  12       6.869  -2.651   1.004  1.00  3.200          H  
ATOM    171 1HB  HIS A  12       4.839  -0.628   0.079  1.00  4.320          H  
ATOM    172 2HB  HIS A  12       4.434  -2.308   0.412  1.00  4.320          H  
ATOM    173  HD2 HIS A  12       6.953  -0.987   3.055  1.00  4.320          H  
ATOM    174  HE1 HIS A  12       3.076  -0.456   4.726  1.00  4.320          H  
ATOM    175  HE2 HIS A  12       5.584  -0.434   5.166  1.00  4.320          H  
ATOM    176  N   GLY A  13       6.743  -3.799  -1.127  1.00  1.970          N  
ATOM    177  CA  GLY A  13       6.768  -4.564  -2.364  1.00  1.820          C  
ATOM    178  C   GLY A  13       8.119  -4.515  -3.065  1.00  1.510          C  
ATOM    179  O   GLY A  13       8.290  -5.117  -4.125  1.00  1.800          O  
ATOM    180  H   GLY A  13       6.764  -4.304  -0.251  1.00  2.360          H  
ATOM    181 1HA  GLY A  13       6.512  -5.601  -2.147  1.00  2.180          H  
ATOM    182 2HA  GLY A  13       5.998  -4.184  -3.033  1.00  2.180          H  
ATOM    183  N   GLY A  14       9.079  -3.768  -2.504  1.00  1.600          N  
ATOM    184  CA  GLY A  14      10.374  -3.608  -3.147  1.00  2.340          C  
ATOM    185  C   GLY A  14      10.246  -2.584  -4.278  1.00  2.010          C  
ATOM    186  O   GLY A  14      11.163  -2.396  -5.088  1.00  2.120          O  
ATOM    187  H   GLY A  14       8.916  -3.286  -1.614  1.00  1.920          H  
ATOM    188 1HA  GLY A  14      11.102  -3.265  -2.412  1.00  2.810          H  
ATOM    189 2HA  GLY A  14      10.718  -4.563  -3.537  1.00  2.810          H  
ATOM    190  N   ARG A  15       9.099  -1.902  -4.337  1.00  1.860          N  
ATOM    191  CA  ARG A  15       8.821  -0.950  -5.394  1.00  1.790          C  
ATOM    192  C   ARG A  15       9.527   0.368  -5.206  1.00  1.600          C  
ATOM    193  O   ARG A  15       8.921   1.377  -4.851  1.00  1.730          O  
ATOM    194  CB  ARG A  15       7.328  -0.711  -5.506  1.00  2.530          C  
ATOM    195  CG  ARG A  15       6.532  -1.908  -5.987  1.00  2.530          C  
ATOM    196  CD  ARG A  15       5.096  -1.590  -6.078  1.00  2.530          C  
ATOM    197  NE  ARG A  15       4.319  -2.695  -6.635  1.00  2.530          N  
ATOM    198  CZ  ARG A  15       2.992  -2.657  -6.912  1.00  2.530          C  
ATOM    199  NH1 ARG A  15       2.280  -1.567  -6.667  1.00  2.530          N  
ATOM    200  NH2 ARG A  15       2.404  -3.727  -7.432  1.00  2.530          N  
ATOM    201  H   ARG A  15       8.381  -2.058  -3.620  1.00  2.230          H  
ATOM    202  HA  ARG A  15       9.162  -1.383  -6.334  1.00  2.150          H  
ATOM    203 1HB  ARG A  15       6.936  -0.435  -4.524  1.00  3.040          H  
ATOM    204 2HB  ARG A  15       7.134   0.122  -6.182  1.00  3.040          H  
ATOM    205 1HG  ARG A  15       6.885  -2.214  -6.968  1.00  3.040          H  
ATOM    206 2HG  ARG A  15       6.657  -2.731  -5.282  1.00  3.040          H  
ATOM    207 1HD  ARG A  15       4.726  -1.388  -5.071  1.00  3.040          H  
ATOM    208 2HD  ARG A  15       4.952  -0.709  -6.703  1.00  3.040          H  
ATOM    209  HE  ARG A  15       4.815  -3.552  -6.843  1.00  3.040          H  
ATOM    210 1HH1 ARG A  15       2.718  -0.730  -6.244  1.00  3.040          H  
ATOM    211 2HH1 ARG A  15       1.295  -1.549  -6.874  1.00  3.040          H  
ATOM    212 1HH2 ARG A  15       2.945  -4.560  -7.621  1.00  3.040          H  
ATOM    213 2HH2 ARG A  15       1.417  -3.712  -7.644  1.00  3.040          H  
ATOM    214  N   ILE A  16      10.817   0.366  -5.477  1.00  1.560          N  
ATOM    215  CA  ILE A  16      11.594   1.573  -5.290  1.00  1.560          C  
ATOM    216  C   ILE A  16      11.369   2.607  -6.375  1.00  1.510          C  
ATOM    217  O   ILE A  16      11.666   2.391  -7.548  1.00  1.620          O  
ATOM    218  CB  ILE A  16      13.111   1.245  -5.196  1.00  2.180          C  
ATOM    219  CG1 ILE A  16      13.375   0.393  -3.909  1.00  2.180          C  
ATOM    220  CG2 ILE A  16      13.953   2.514  -5.267  1.00  2.180          C  
ATOM    221  CD1 ILE A  16      14.763  -0.195  -3.774  1.00  2.180          C  
ATOM    222  H   ILE A  16      11.233  -0.530  -5.745  1.00  1.870          H  
ATOM    223  HA  ILE A  16      11.291   2.023  -4.352  1.00  1.870          H  
ATOM    224  HB  ILE A  16      13.381   0.609  -6.039  1.00  2.620          H  
ATOM    225 1HG1 ILE A  16      13.194   1.018  -3.046  1.00  2.620          H  
ATOM    226 2HG1 ILE A  16      12.671  -0.438  -3.897  1.00  2.620          H  
ATOM    227 1HG2 ILE A  16      15.007   2.276  -5.222  1.00  2.620          H  
ATOM    228 2HG2 ILE A  16      13.770   3.050  -6.195  1.00  2.620          H  
ATOM    229 3HG2 ILE A  16      13.693   3.133  -4.459  1.00  2.620          H  
ATOM    230 1HD1 ILE A  16      14.829  -0.768  -2.845  1.00  2.620          H  
ATOM    231 2HD1 ILE A  16      14.962  -0.857  -4.618  1.00  2.620          H  
ATOM    232 3HD1 ILE A  16      15.502   0.586  -3.752  1.00  2.620          H  
ATOM    233  N   ARG A  17      10.909   3.771  -5.932  1.00  1.540          N  
ATOM    234  CA  ARG A  17      10.662   4.925  -6.768  1.00  1.680          C  
ATOM    235  C   ARG A  17      11.732   5.951  -6.435  1.00  1.470          C  
ATOM    236  O   ARG A  17      11.672   6.603  -5.380  1.00  1.180          O  
ATOM    237  CB  ARG A  17       9.275   5.510  -6.530  1.00  2.300          C  
ATOM    238  CG  ARG A  17       8.103   4.619  -6.939  1.00  2.300          C  
ATOM    239  CD  ARG A  17       6.793   5.286  -6.661  1.00  2.300          C  
ATOM    240  NE  ARG A  17       5.650   4.432  -6.994  1.00  2.300          N  
ATOM    241  CZ  ARG A  17       5.062   4.315  -8.206  1.00  2.300          C  
ATOM    242  NH1 ARG A  17       5.493   4.995  -9.255  1.00  2.300          N  
ATOM    243  NH2 ARG A  17       4.035   3.494  -8.312  1.00  2.300          N  
ATOM    244  H   ARG A  17      10.671   3.826  -4.951  1.00  1.850          H  
ATOM    245  HA  ARG A  17      10.751   4.636  -7.817  1.00  2.020          H  
ATOM    246 1HB  ARG A  17       9.158   5.735  -5.468  1.00  2.760          H  
ATOM    247 2HB  ARG A  17       9.179   6.449  -7.073  1.00  2.760          H  
ATOM    248 1HG  ARG A  17       8.167   4.388  -8.001  1.00  2.760          H  
ATOM    249 2HG  ARG A  17       8.139   3.687  -6.364  1.00  2.760          H  
ATOM    250 1HD  ARG A  17       6.739   5.506  -5.588  1.00  2.760          H  
ATOM    251 2HD  ARG A  17       6.713   6.213  -7.218  1.00  2.760          H  
ATOM    252  HE  ARG A  17       5.234   3.865  -6.238  1.00  2.760          H  
ATOM    253 1HH1 ARG A  17       6.276   5.622  -9.168  1.00  2.760          H  
ATOM    254 2HH1 ARG A  17       5.035   4.889 -10.148  1.00  2.760          H  
ATOM    255 1HH2 ARG A  17       3.733   2.986  -7.464  1.00  2.760          H  
ATOM    256 2HH2 ARG A  17       3.559   3.369  -9.190  1.00  2.760          H  
ATOM    257  N   LEU A  18      12.655   6.158  -7.370  1.00  1.930          N  
ATOM    258  CA  LEU A  18      13.845   6.970  -7.129  1.00  2.100          C  
ATOM    259  C   LEU A  18      13.589   8.475  -7.104  1.00  2.040          C  
ATOM    260  O   LEU A  18      14.504   9.265  -6.883  1.00  2.670          O  
ATOM    261  CB  LEU A  18      14.919   6.643  -8.179  1.00  2.870          C  
ATOM    262  CG  LEU A  18      15.494   5.157  -8.187  1.00  2.870          C  
ATOM    263  CD1 LEU A  18      16.447   5.016  -9.362  1.00  2.870          C  
ATOM    264  CD2 LEU A  18      16.224   4.818  -6.863  1.00  2.870          C  
ATOM    265  H   LEU A  18      12.582   5.641  -8.237  1.00  2.320          H  
ATOM    266  HA  LEU A  18      14.222   6.698  -6.158  1.00  2.520          H  
ATOM    267 1HB  LEU A  18      14.514   6.854  -9.164  1.00  3.450          H  
ATOM    268 2HB  LEU A  18      15.765   7.313  -8.007  1.00  3.450          H  
ATOM    269  HG  LEU A  18      14.676   4.452  -8.329  1.00  3.450          H  
ATOM    270 1HD1 LEU A  18      16.836   3.998  -9.398  1.00  3.450          H  
ATOM    271 2HD1 LEU A  18      15.921   5.235 -10.292  1.00  3.450          H  
ATOM    272 3HD1 LEU A  18      17.275   5.717  -9.238  1.00  3.450          H  
ATOM    273 1HD2 LEU A  18      16.604   3.805  -6.910  1.00  3.450          H  
ATOM    274 2HD2 LEU A  18      17.056   5.512  -6.702  1.00  3.450          H  
ATOM    275 3HD2 LEU A  18      15.538   4.890  -6.033  1.00  3.450          H  
ATOM    276  N   GLY A  19      12.335   8.883  -7.320  1.00  1.970          N  
ATOM    277  CA  GLY A  19      11.967  10.296  -7.229  1.00  2.390          C  
ATOM    278  C   GLY A  19      11.896  10.720  -5.752  1.00  2.310          C  
ATOM    279  O   GLY A  19      11.856  11.912  -5.436  1.00  2.840          O  
ATOM    280  H   GLY A  19      11.628   8.197  -7.537  1.00  2.360          H  
ATOM    281 1HA  GLY A  19      12.701  10.903  -7.758  1.00  2.870          H  
ATOM    282 2HA  GLY A  19      11.001  10.456  -7.707  1.00  2.870          H  
ATOM    283  N   THR A  20      11.892   9.719  -4.865  1.00  1.900          N  
ATOM    284  CA  THR A  20      11.866   9.862  -3.413  1.00  2.210          C  
ATOM    285  C   THR A  20      13.125   9.172  -2.896  1.00  2.100          C  
ATOM    286  O   THR A  20      13.935   9.730  -2.136  1.00  2.510          O  
ATOM    287  CB  THR A  20      10.604   9.214  -2.783  1.00  2.970          C  
ATOM    288  OG1 THR A  20       9.418   9.825  -3.315  1.00  2.970          O  
ATOM    289  CG2 THR A  20      10.615   9.394  -1.262  1.00  2.970          C  
ATOM    290  H   THR A  20      11.914   8.771  -5.228  1.00  2.280          H  
ATOM    291  HA  THR A  20      11.905  10.919  -3.147  1.00  2.650          H  
ATOM    292  HB  THR A  20      10.590   8.148  -3.020  1.00  3.560          H  
ATOM    293  HG1 THR A  20       8.662   9.280  -3.084  1.00  3.560          H  
ATOM    294 1HG2 THR A  20       9.727   8.928  -0.837  1.00  3.560          H  
ATOM    295 2HG2 THR A  20      11.501   8.923  -0.842  1.00  3.560          H  
ATOM    296 3HG2 THR A  20      10.621  10.452  -1.018  1.00  3.560          H  
ATOM    297  N   ILE A  21      13.316   7.941  -3.344  1.00  2.150          N  
ATOM    298  CA  ILE A  21      14.439   7.155  -2.908  1.00  2.310          C  
ATOM    299  C   ILE A  21      15.646   7.505  -3.755  1.00  2.390          C  
ATOM    300  O   ILE A  21      16.019   6.785  -4.665  1.00  3.020          O  
ATOM    301  CB  ILE A  21      14.052   5.660  -3.022  1.00  3.170          C  
ATOM    302  CG1 ILE A  21      12.826   5.416  -2.121  1.00  3.170          C  
ATOM    303  CG2 ILE A  21      15.202   4.739  -2.675  1.00  3.170          C  
ATOM    304  CD1 ILE A  21      12.129   4.105  -2.307  1.00  3.170          C  
ATOM    305  H   ILE A  21      12.642   7.523  -3.983  1.00  2.580          H  
ATOM    306  HA  ILE A  21      14.649   7.390  -1.866  1.00  2.770          H  
ATOM    307  HB  ILE A  21      13.731   5.463  -4.040  1.00  3.800          H  
ATOM    308 1HG1 ILE A  21      13.154   5.474  -1.089  1.00  3.800          H  
ATOM    309 2HG1 ILE A  21      12.092   6.197  -2.285  1.00  3.800          H  
ATOM    310 1HG2 ILE A  21      14.921   3.717  -2.752  1.00  3.800          H  
ATOM    311 2HG2 ILE A  21      16.018   4.900  -3.336  1.00  3.800          H  
ATOM    312 3HG2 ILE A  21      15.511   4.931  -1.684  1.00  3.800          H  
ATOM    313 1HD1 ILE A  21      11.290   4.053  -1.609  1.00  3.800          H  
ATOM    314 2HD1 ILE A  21      11.766   4.059  -3.309  1.00  3.800          H  
ATOM    315 3HD1 ILE A  21      12.792   3.289  -2.130  1.00  3.800          H  
ATOM    316  N   ALA A  22      16.363   8.542  -3.340  1.00  2.360          N  
ATOM    317  CA  ALA A  22      17.498   9.036  -4.123  1.00  2.980          C  
ATOM    318  C   ALA A  22      18.532   7.942  -4.379  1.00  2.570          C  
ATOM    319  O   ALA A  22      19.171   7.905  -5.432  1.00  2.670          O  
ATOM    320  CB  ALA A  22      18.162  10.196  -3.402  1.00  3.920          C  
ATOM    321  H   ALA A  22      15.986   9.074  -2.551  1.00  2.830          H  
ATOM    322  HA  ALA A  22      17.115   9.377  -5.088  1.00  3.580          H  
ATOM    323 1HB  ALA A  22      18.987  10.573  -4.006  1.00  4.710          H  
ATOM    324 2HB  ALA A  22      17.430  10.989  -3.246  1.00  4.710          H  
ATOM    325 3HB  ALA A  22      18.543   9.857  -2.440  1.00  4.710          H  
ATOM    326  N   GLU A  23      18.710   7.070  -3.402  1.00  2.560          N  
ATOM    327  CA  GLU A  23      19.625   5.958  -3.505  1.00  2.430          C  
ATOM    328  C   GLU A  23      18.808   4.733  -3.121  1.00  2.370          C  
ATOM    329  O   GLU A  23      18.092   4.800  -2.128  1.00  2.740          O  
ATOM    330  CB  GLU A  23      20.812   6.130  -2.554  1.00  3.450          C  
ATOM    331  CG  GLU A  23      21.689   7.346  -2.845  1.00  3.450          C  
ATOM    332  CD  GLU A  23      22.876   7.461  -1.911  1.00  3.450          C  
ATOM    333  OE1 GLU A  23      22.980   6.656  -1.015  1.00  3.450          O  
ATOM    334  OE2 GLU A  23      23.676   8.349  -2.099  1.00  3.450          O  
ATOM    335  H   GLU A  23      18.174   7.182  -2.556  1.00  3.070          H  
ATOM    336  HA  GLU A  23      19.995   5.907  -4.517  1.00  2.920          H  
ATOM    337 1HB  GLU A  23      20.444   6.223  -1.530  1.00  4.140          H  
ATOM    338 2HB  GLU A  23      21.442   5.242  -2.596  1.00  4.140          H  
ATOM    339 1HG  GLU A  23      22.046   7.285  -3.872  1.00  4.140          H  
ATOM    340 2HG  GLU A  23      21.081   8.244  -2.756  1.00  4.140          H  
ATOM    341  N   PRO A  24      18.905   3.594  -3.818  1.00  2.470          N  
ATOM    342  CA  PRO A  24      18.162   2.384  -3.521  1.00  2.710          C  
ATOM    343  C   PRO A  24      18.339   1.959  -2.074  1.00  2.570          C  
ATOM    344  O   PRO A  24      19.434   2.048  -1.519  1.00  2.960          O  
ATOM    345  CB  PRO A  24      18.793   1.370  -4.477  1.00  4.060          C  
ATOM    346  CG  PRO A  24      19.273   2.202  -5.641  1.00  4.060          C  
ATOM    347  CD  PRO A  24      19.754   3.501  -5.022  1.00  4.060          C  
ATOM    348  HA  PRO A  24      17.100   2.543  -3.754  1.00  3.250          H  
ATOM    349 1HB  PRO A  24      19.604   0.828  -3.965  1.00  4.880          H  
ATOM    350 2HB  PRO A  24      18.044   0.617  -4.770  1.00  4.880          H  
ATOM    351 1HG  PRO A  24      20.076   1.670  -6.177  1.00  4.880          H  
ATOM    352 2HG  PRO A  24      18.459   2.348  -6.363  1.00  4.880          H  
ATOM    353 1HD  PRO A  24      20.821   3.465  -4.753  1.00  4.880          H  
ATOM    354 2HD  PRO A  24      19.517   4.291  -5.751  1.00  4.880          H  
ATOM    355  N   ILE A  25      17.248   1.485  -1.496  1.00  2.530          N  
ATOM    356  CA  ILE A  25      17.169   1.037  -0.118  1.00  2.750          C  
ATOM    357  C   ILE A  25      17.760  -0.343   0.011  1.00  2.310          C  
ATOM    358  O   ILE A  25      17.385  -1.246  -0.742  1.00  2.470          O  
ATOM    359  CB  ILE A  25      15.707   0.890   0.307  1.00  3.760          C  
ATOM    360  CG1 ILE A  25      14.984   2.178   0.217  1.00  3.760          C  
ATOM    361  CG2 ILE A  25      15.694   0.432   1.804  1.00  3.760          C  
ATOM    362  CD1 ILE A  25      13.511   2.014   0.224  1.00  3.760          C  
ATOM    363  H   ILE A  25      16.408   1.444  -2.049  1.00  3.040          H  
ATOM    364  HA  ILE A  25      17.707   1.734   0.526  1.00  3.300          H  
ATOM    365  HB  ILE A  25      15.208   0.179  -0.326  1.00  4.510          H  
ATOM    366 1HG1 ILE A  25      15.230   2.763   1.081  1.00  4.510          H  
ATOM    367 2HG1 ILE A  25      15.281   2.717  -0.658  1.00  4.510          H  
ATOM    368 1HG2 ILE A  25      14.723   0.340   2.158  1.00  4.510          H  
ATOM    369 2HG2 ILE A  25      16.184  -0.518   1.935  1.00  4.510          H  
ATOM    370 3HG2 ILE A  25      16.205   1.184   2.411  1.00  4.510          H  
ATOM    371 1HD1 ILE A  25      13.039   2.991   0.205  1.00  4.510          H  
ATOM    372 2HD1 ILE A  25      13.210   1.441  -0.641  1.00  4.510          H  
ATOM    373 3HD1 ILE A  25      13.200   1.509   1.085  1.00  4.510          H  
ATOM    374  N   ASN A  26      18.674  -0.561   0.948  1.00  2.400          N  
ATOM    375  CA  ASN A  26      19.190  -1.915   1.046  1.00  2.420          C  
ATOM    376  C   ASN A  26      18.245  -2.782   1.857  1.00  2.310          C  
ATOM    377  O   ASN A  26      18.428  -3.009   3.053  1.00  2.870          O  
ATOM    378  CB  ASN A  26      20.578  -2.016   1.604  1.00  3.380          C  
ATOM    379  CG  ASN A  26      21.066  -3.454   1.438  1.00  3.380          C  
ATOM    380  OD1 ASN A  26      20.322  -4.339   0.937  1.00  3.380          O  
ATOM    381  ND2 ASN A  26      22.293  -3.703   1.837  1.00  3.380          N  
ATOM    382  H   ASN A  26      18.967   0.180   1.572  1.00  2.880          H  
ATOM    383  HA  ASN A  26      19.225  -2.340   0.042  1.00  2.900          H  
ATOM    384 1HB  ASN A  26      21.246  -1.339   1.071  1.00  4.060          H  
ATOM    385 2HB  ASN A  26      20.585  -1.745   2.659  1.00  4.060          H  
ATOM    386 1HD2 ASN A  26      22.669  -4.628   1.754  1.00  4.060          H  
ATOM    387 2HD2 ASN A  26      22.851  -2.970   2.228  1.00  4.060          H  
ATOM    388  N   LEU A  27      17.223  -3.236   1.166  1.00  2.100          N  
ATOM    389  CA  LEU A  27      16.150  -4.062   1.688  1.00  2.530          C  
ATOM    390  C   LEU A  27      16.335  -5.522   1.284  1.00  2.970          C  
ATOM    391  O   LEU A  27      15.393  -6.313   1.372  1.00  3.460          O  
ATOM    392  CB  LEU A  27      14.778  -3.489   1.262  1.00  3.370          C  
ATOM    393  CG  LEU A  27      14.493  -3.229  -0.275  1.00  3.370          C  
ATOM    394  CD1 LEU A  27      14.130  -4.510  -1.027  1.00  3.370          C  
ATOM    395  CD2 LEU A  27      13.353  -2.229  -0.378  1.00  3.370          C  
ATOM    396  H   LEU A  27      17.196  -2.918   0.195  1.00  2.520          H  
ATOM    397  HA  LEU A  27      16.191  -4.018   2.775  1.00  3.040          H  
ATOM    398 1HB  LEU A  27      14.008  -4.166   1.622  1.00  4.040          H  
ATOM    399 2HB  LEU A  27      14.649  -2.541   1.773  1.00  4.040          H  
ATOM    400  HG  LEU A  27      15.379  -2.809  -0.741  1.00  4.040          H  
ATOM    401 1HD1 LEU A  27      13.936  -4.266  -2.071  1.00  4.040          H  
ATOM    402 2HD1 LEU A  27      14.937  -5.226  -0.987  1.00  4.040          H  
ATOM    403 3HD1 LEU A  27      13.236  -4.953  -0.586  1.00  4.040          H  
ATOM    404 1HD2 LEU A  27      13.163  -2.021  -1.431  1.00  4.040          H  
ATOM    405 2HD2 LEU A  27      12.455  -2.648   0.083  1.00  4.040          H  
ATOM    406 3HD2 LEU A  27      13.623  -1.320   0.127  1.00  4.040          H  
ATOM    407  N   ILE A  28      17.524  -5.844   0.762  1.00  3.400          N  
ATOM    408  CA  ILE A  28      17.831  -7.171   0.259  1.00  4.170          C  
ATOM    409  C   ILE A  28      18.062  -8.181   1.379  1.00  4.790          C  
ATOM    410  O   ILE A  28      17.781  -9.365   1.194  1.00  5.360          O  
ATOM    411  OXT ILE A  28      18.869  -7.894   2.261  1.00  6.250          O  
ATOM    412  CB  ILE A  28      19.079  -7.090  -0.636  1.00  5.170          C  
ATOM    413  CG1 ILE A  28      18.754  -6.177  -1.846  1.00  5.170          C  
ATOM    414  CG2 ILE A  28      19.508  -8.502  -1.081  1.00  5.170          C  
ATOM    415  CD1 ILE A  28      19.959  -5.750  -2.660  1.00  5.170          C  
ATOM    416  H   ILE A  28      18.279  -5.145   0.754  1.00  4.080          H  
ATOM    417  HA  ILE A  28      16.989  -7.514  -0.340  1.00  5.000          H  
ATOM    418  HB  ILE A  28      19.894  -6.630  -0.084  1.00  6.200          H  
ATOM    419 1HG1 ILE A  28      18.062  -6.702  -2.498  1.00  6.200          H  
ATOM    420 2HG1 ILE A  28      18.266  -5.275  -1.483  1.00  6.200          H  
ATOM    421 1HG2 ILE A  28      20.387  -8.447  -1.707  1.00  6.200          H  
ATOM    422 2HG2 ILE A  28      19.744  -9.110  -0.209  1.00  6.200          H  
ATOM    423 3HG2 ILE A  28      18.695  -8.969  -1.634  1.00  6.200          H  
ATOM    424 1HD1 ILE A  28      19.630  -5.109  -3.477  1.00  6.200          H  
ATOM    425 2HD1 ILE A  28      20.647  -5.196  -2.017  1.00  6.200          H  
ATOM    426 3HD1 ILE A  28      20.466  -6.614  -3.071  1.00  6.200          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 -120.332 14.5573 76.4822 -8.11528 4.54034 5.77094 37.8364 -45.3286 -0.13607 -1.1238 -28.0141 -8.64191 -9.9969 -0.97523 -4.96513 -3.38309 0 0.03111 1.51323 10.4259 22.3792 -8.07268 5.75329 -15.9022 -2.87802 17.3675 -61.2081
SER:NtermProteinFull_1 -2.29494 0.14637 2.00087 -0.033 0.00037 0.02405 0.68822 -0.85114 -0.01064 -0.10343 -1.013 -1.18458 0 0 0 0 0 -0.02934 0.00054 0.48988 0 0 0.60225 -0.77834 0 0.11578 -2.23008
ASP_2 -4.94912 0.22918 5.96163 -0.23558 0.1047 0.76214 2.78084 -2.63068 -0.00273 -0.04521 -3.51189 -1.28959 0 0 -1.37819 0 0 -0.0223 0.12378 0 1.85847 -0.84713 0 -2.3716 -0.13136 0.4504 -5.14424
GLU_3 -5.11997 0.35108 6.6307 -0.22384 0.04244 0.35432 2.79073 -2.5621 -0.01285 -0.14678 -3.999 -0.53203 0 0 0 -1.69154 0 0.02023 0.01071 0 2.99479 0.09795 0 -2.7348 -0.27431 0.46353 -3.54075
ASP_4 -2.13065 0.08221 2.72577 -0.12196 0.04121 0.38168 0.93737 -1.2522 -0.00014 -0.0025 -1.98519 -0.21422 0 0 -0.62876 0 0 0.03375 0 0 2.51228 -0.40849 0 -2.3716 -0.38603 0.30309 -2.48438
LEU_5 -6.44974 0.65967 3.94255 -0.47641 0.32286 0.0762 1.34309 -2.33385 -0 -0 -0.62141 0.3729 0 0 0 0 0 0.06836 0.03004 0.34784 0 -0.21705 0 0.18072 -0.40363 0.58599 -2.57185
SER_6 -3.26291 0.18959 3.13944 -0.02366 0 0.05523 1.5226 -1.63291 -0 -0 -0.02902 -0.88826 0 0 -0.58394 0 0 -0.04488 0.158 0.18648 0 -0.22251 0.60438 -0.77834 0.25519 0.56285 -0.79267
THR_7 -5.22916 0.71326 2.38588 -0.13216 0.09947 0.06899 1.1708 -1.76184 -0.02106 -0.11354 -0.11402 -0.95624 0 0 0 0 0 -0.05229 0.00219 0.07259 0 -0.06133 2.2625 -1.0874 0.21905 0.40623 -2.12809
GLU_8 -2.3065 0.1256 2.17799 -0.20855 0.0342 0.30773 0.74673 -1.01003 -0 -0 -0.10826 -0.53617 0 0 -0.58394 0 0 -0.05459 0.00081 0 3.01715 -0.07444 0 -2.7348 -0.03313 0.37511 -0.8651
GLN_9 -4.3392 0.771 3.01779 -0.37218 0.0722 0.2404 1.02489 -1.65213 -0.01553 -0.10524 0.03209 -0.19396 0 0 0 0 0 -0.04726 0.03629 0 3.00825 0.07092 0 -0.18838 0.19735 0.96326 2.52056
PRO_10 -4.05899 0.71269 1.08496 -0.11604 0.00345 0.08562 0.64764 -0.79208 -0.01827 -0.15045 -0.51365 0.26135 0 0 0 0 0 -0.08743 0.0337 0.0946 0 -1.0192 0 -2.4119 -0.24343 1.07305 -5.41435
VAL_11 -7.66655 1.0578 1.66226 -0.37627 0.37131 0.08804 1.71427 -2.36085 -0 -0 -1.71451 0.1328 0 0 0 0 0 0.17511 0.06551 1.34441 0 -0.46258 0 1.9342 -0.42426 0.60964 -3.84968
HIS_12 -5.58693 0.42444 5.13102 -0.43945 0.22332 0.41244 2.56098 -2.5563 -0 -0 -2.32101 -0.3735 0 0 -0.74943 0 0 -0.02561 0.00098 0 3.91264 -0.05645 0 -0.45461 -0.39234 0.62188 0.33208
GLY_13 -1.43135 0.22344 1.49627 -5e-05 0 0 0.53975 -0.75496 -0 -0 0.44479 -0.41618 0 0 0 0 0 -0.12945 0 0 0 -1.39799 0 0.83697 -0.66831 0.29619 -0.96088
GLY_14 -2.73094 0.32958 2.23044 -5e-05 0 0 1.40519 -1.35472 -0 -0 -1.98648 -0.4349 0 0 0 0 0 -0.14566 0 0 0 -1.37146 0 0.83697 -0.94503 0.12753 -4.03953
ARG_15 -4.58085 0.4443 4.934 -0.48088 0.06601 0.28665 1.86713 -2.20748 -0 -0 -2.22953 0.15056 0 0 0 -0.59315 0 -0.00101 0.08964 1.77193 0 0.10458 0 -1.2888 -0.15738 0.24831 -1.57598
ILE_16 -6.20983 0.85043 0.31379 -0.4843 0.4089 0.11035 1.09814 -1.24392 -0.0032 -0.00919 -0.55396 0.13463 0 0 0 0 0 0.09182 0.11449 0.31518 0 -0.39526 0 0.73287 0.18697 0.57318 -3.9689
ARG_17 -4.53751 0.25062 5.14744 -0.59512 0.07833 0.36215 3.14543 -2.28643 -0 -0 -3.67708 -0.0557 0 0 0 -1.0984 0 0.17781 0.02486 2.68898 0 0.19287 0 -1.2888 0.10923 0.81404 -0.54729
LEU_18 -4.62518 0.70861 2.20529 -0.50222 0.18894 0.14306 0.83334 -1.65142 -0.0032 -0.00919 0.13038 0.16269 0 0 0 0 0 0.09745 0.03793 0.11759 0 -0.04001 0 0.18072 0.23051 0.62395 -1.17074
GLY_19 -1.11134 0.18932 1.59105 -5e-05 0 0 0.34224 -0.76019 -0 -0 0.03707 -0.42334 0 0 0 0 0 0.01891 0 0 0 0.43702 0 0.83697 -0.03672 0.31195 1.43289
THR_20 -3.66983 0.38496 3.14707 -0.17931 0.0658 0.06217 1.57626 -1.7755 -0.00218 -0.04521 -1.40336 0.23191 0 0 0 0 0 0.02737 0 0.1551 0 -0.28454 2.28416 -1.0874 0.50667 0.35875 0.35289
ILE_21 -10.6322 2.00484 3.15891 -0.53452 0.78835 0.1379 2.03901 -3.11497 -0 -0 -0.03549 -0.50579 0 0 0 0 0 0.03094 0.10754 0.33732 0 0.32874 0 0.73287 0.77077 0.94139 -3.44436
ALA_22 -2.44809 0.19373 1.5423 -0.02284 0 0 0.68759 -1.06572 -0 -0 -0.56965 -0.3967 0 0 0 0 0 0.03232 0 0 0 -0.41883 0 1.8394 -0.00089 0.7605 0.13311
GLU_23 -3.60709 0.94502 2.82617 -0.21189 0.03085 0.32769 1.21726 -1.57939 -0 -0 0.02364 -0.63922 0 0 0 0 0 -0.00413 0.00961 0 3.1904 0.0959 0 -2.7348 0.0224 1.0119 0.92432
PRO_24 -2.91738 0.35377 0.65008 -0.11672 0.0022 0.08608 0.18474 -0.58186 -0 -0 0.03454 0.26303 0 0 0 0 0 -0.10114 0.02974 0.10142 0 -1.04993 0 -2.4119 0.0022 1.14029 -4.33084
ILE_25 -9.00817 1.43264 2.07317 -0.52642 0.48218 0.12436 2.02518 -2.37735 -0.0126 -0.13976 -1.40871 0.39909 0 0 0 0 0 -0.06229 0.37173 0.40029 0 -0.47998 0 0.73287 -0.59474 0.92021 -5.6483
ASN_26 -2.36811 0.23309 2.01641 -0.35184 0.21701 0.68046 1.01493 -1.04533 -0.03366 -0.2533 0.30032 -0.90387 0 0 -0.52043 0 0 0.04159 0.00487 0 1.88521 -0.5644 0 -0.93687 -0.27308 1.21549 0.3585
LEU_27 -5.16976 0.45452 1.42643 -0.74634 0.38149 0.35585 1.06638 -1.27185 -0 -0 -0.89414 0.04995 0 0 0 0 0 0.02285 0.20551 1.58936 0 -0.02907 0 0.18072 -0.19845 0.83303 -1.74352
ILE:CtermProteinFull_28 -1.89022 0.09556 1.86251 -0.60364 0.51475 0.23738 0.86562 -0.8614 -0 -0 -0.32753 -0.85659 0 0 -0.52043 0 0 0 0.05475 0.41289 0 0 0 0.73287 -0.21526 0.65996 0.16123
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 699803 DOMAINID 690196 MODEL 5 LI0649-2
MODEL     5
REMARK    Rerank model03.pdb to model05.pdb score: 3.002
REMARK    CLUSTER 0003 t000_.out.valid.rescored.best_scoring.binary cluster_size: 10 cluster_threshold: 3.238783
REMARK    SCORE         p_aa_pp:         -10.796
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE           omega:          -0.048
REMARK    SCORE fa_intra_sol_xover4:           5.352
REMARK    SCORE         fa_elec:         -36.222
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE     cart_bonded:          14.494
REMARK    SCORE            time:           0.000
REMARK    SCORE        hbond_sc:          -3.771
REMARK    SCORE     hbond_sr_bb:          -9.450
REMARK    SCORE          fa_rep:          13.442
REMARK    SCORE     rama_prepro:          -5.762
REMARK    SCORE     hbond_lr_bb:          -5.443
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE          fa_atr:        -122.904
REMARK    SCORE    fa_intra_rep:           0.262
REMARK    SCORE          fa_dun:          31.751
REMARK    SCORE             ref:           3.253
REMARK    SCORE     lk_ball_wtd:          -4.630
REMARK    SCORE     hbond_bb_sc:          -4.044
REMARK    SCORE           score:         -56.718
REMARK    SCORE     description: cluster0003_0001
REMARK    SCORE          fa_sol:          77.798
REMARK    SCORE     total_score:         -56.718
ATOM      1  N   SER A   1       0.193  -0.392  -0.155  1.00  3.550          N  
ATOM      2  CA  SER A   1       1.645  -0.316  -0.043  1.00  3.180          C  
ATOM      3  C   SER A   1       2.154   1.117   0.064  1.00  2.140          C  
ATOM      4  O   SER A   1       2.462   1.601   1.155  1.00  2.040          O  
ATOM      5  CB  SER A   1       2.291  -0.990  -1.231  1.00  4.600          C  
ATOM      6  OG  SER A   1       2.006  -0.287  -2.401  1.00  4.600          O  
ATOM      7 1H   SER A   1      -0.053  -1.285  -0.554  1.00  4.260          H  
ATOM      8 2H   SER A   1      -0.256  -0.300   0.747  1.00  4.260          H  
ATOM      9 3H   SER A   1      -0.129   0.339  -0.775  1.00  4.260          H  
ATOM     10  HA  SER A   1       1.943  -0.846   0.863  1.00  3.820          H  
ATOM     11 1HB  SER A   1       3.372  -1.037  -1.084  1.00  5.520          H  
ATOM     12 2HB  SER A   1       1.925  -2.010  -1.316  1.00  5.520          H  
ATOM     13  HG  SER A   1       2.363  -0.822  -3.126  1.00  5.520          H  
ATOM     14  N   ASP A   2       2.287   1.793  -1.073  1.00  2.160          N  
ATOM     15  CA  ASP A   2       2.871   3.137  -1.113  1.00  2.080          C  
ATOM     16  C   ASP A   2       2.112   4.165  -0.274  1.00  1.780          C  
ATOM     17  O   ASP A   2       2.707   5.020   0.376  1.00  2.040          O  
ATOM     18  CB  ASP A   2       2.916   3.612  -2.566  1.00  2.940          C  
ATOM     19  CG  ASP A   2       1.512   3.578  -3.212  1.00  2.940          C  
ATOM     20  OD1 ASP A   2       0.629   2.965  -2.604  1.00  2.940          O  
ATOM     21  OD2 ASP A   2       1.305   4.208  -4.256  1.00  2.940          O  
ATOM     22  H   ASP A   2       1.976   1.365  -1.946  1.00  2.590          H  
ATOM     23  HA  ASP A   2       3.886   3.063  -0.746  1.00  2.500          H  
ATOM     24 1HB  ASP A   2       3.304   4.630  -2.603  1.00  3.530          H  
ATOM     25 2HB  ASP A   2       3.598   2.981  -3.139  1.00  3.530          H  
ATOM     26  N   GLU A   3       0.814   3.992  -0.187  1.00  2.160          N  
ATOM     27  CA  GLU A   3      -0.090   4.859   0.566  1.00  2.870          C  
ATOM     28  C   GLU A   3       0.211   4.931   2.067  1.00  2.730          C  
ATOM     29  O   GLU A   3      -0.279   5.843   2.755  1.00  3.390          O  
ATOM     30  CB  GLU A   3      -1.538   4.404   0.343  1.00  3.730          C  
ATOM     31  CG  GLU A   3      -1.878   3.047   0.971  1.00  3.730          C  
ATOM     32  CD  GLU A   3      -3.254   2.546   0.629  1.00  3.730          C  
ATOM     33  OE1 GLU A   3      -4.020   3.276   0.053  1.00  3.730          O  
ATOM     34  OE2 GLU A   3      -3.536   1.415   0.951  1.00  3.730          O  
ATOM     35  H   GLU A   3       0.439   3.289  -0.827  1.00  2.590          H  
ATOM     36  HA  GLU A   3       0.013   5.862   0.179  1.00  3.440          H  
ATOM     37 1HB  GLU A   3      -2.220   5.153   0.746  1.00  4.480          H  
ATOM     38 2HB  GLU A   3      -1.728   4.336  -0.731  1.00  4.480          H  
ATOM     39 1HG  GLU A   3      -1.141   2.314   0.651  1.00  4.480          H  
ATOM     40 2HG  GLU A   3      -1.805   3.137   2.056  1.00  4.480          H  
ATOM     41  N   ASP A   4       0.964   3.944   2.591  1.00  2.360          N  
ATOM     42  CA  ASP A   4       1.307   3.859   4.010  1.00  2.790          C  
ATOM     43  C   ASP A   4       2.737   4.330   4.327  1.00  2.310          C  
ATOM     44  O   ASP A   4       3.214   4.161   5.455  1.00  2.710          O  
ATOM     45  CB  ASP A   4       1.173   2.406   4.472  1.00  3.730          C  
ATOM     46  CG  ASP A   4      -0.250   1.866   4.412  1.00  3.730          C  
ATOM     47  OD1 ASP A   4      -1.167   2.526   4.855  1.00  3.730          O  
ATOM     48  OD2 ASP A   4      -0.400   0.775   3.897  1.00  3.730          O  
ATOM     49  H   ASP A   4       1.350   3.229   1.970  1.00  2.830          H  
ATOM     50  HA  ASP A   4       0.610   4.482   4.567  1.00  3.350          H  
ATOM     51 1HB  ASP A   4       1.806   1.780   3.838  1.00  4.480          H  
ATOM     52 2HB  ASP A   4       1.543   2.314   5.492  1.00  4.480          H  
ATOM     53  N   LEU A   5       3.428   4.902   3.351  1.00  1.730          N  
ATOM     54  CA  LEU A   5       4.805   5.355   3.530  1.00  1.530          C  
ATOM     55  C   LEU A   5       5.012   6.619   4.348  1.00  1.530          C  
ATOM     56  O   LEU A   5       4.216   7.547   4.306  1.00  2.000          O  
ATOM     57  CB  LEU A   5       5.403   5.603   2.160  1.00  2.220          C  
ATOM     58  CG  LEU A   5       5.631   4.408   1.269  1.00  2.220          C  
ATOM     59  CD1 LEU A   5       5.899   4.920  -0.133  1.00  2.220          C  
ATOM     60  CD2 LEU A   5       6.842   3.633   1.779  1.00  2.220          C  
ATOM     61  H   LEU A   5       2.995   5.017   2.425  1.00  2.080          H  
ATOM     62  HA  LEU A   5       5.340   4.556   4.031  1.00  1.840          H  
ATOM     63 1HB  LEU A   5       4.718   6.267   1.629  1.00  2.670          H  
ATOM     64 2HB  LEU A   5       6.356   6.115   2.292  1.00  2.670          H  
ATOM     65  HG  LEU A   5       4.764   3.758   1.262  1.00  2.670          H  
ATOM     66 1HD1 LEU A   5       6.091   4.101  -0.812  1.00  2.670          H  
ATOM     67 2HD1 LEU A   5       5.036   5.477  -0.492  1.00  2.670          H  
ATOM     68 3HD1 LEU A   5       6.711   5.559  -0.111  1.00  2.670          H  
ATOM     69 1HD2 LEU A   5       7.039   2.795   1.137  1.00  2.670          H  
ATOM     70 2HD2 LEU A   5       7.713   4.284   1.799  1.00  2.670          H  
ATOM     71 3HD2 LEU A   5       6.658   3.265   2.780  1.00  2.670          H  
ATOM     72  N   SER A   6       6.136   6.652   5.057  1.00  1.570          N  
ATOM     73  CA  SER A   6       6.595   7.830   5.787  1.00  1.850          C  
ATOM     74  C   SER A   6       7.468   8.702   4.913  1.00  1.790          C  
ATOM     75  O   SER A   6       8.251   8.199   4.109  1.00  2.210          O  
ATOM     76  CB  SER A   6       7.365   7.461   7.023  1.00  2.480          C  
ATOM     77  OG  SER A   6       7.981   8.609   7.565  1.00  2.480          O  
ATOM     78  H   SER A   6       6.706   5.818   5.068  1.00  1.880          H  
ATOM     79  HA  SER A   6       5.722   8.413   6.084  1.00  2.220          H  
ATOM     80 1HB  SER A   6       6.686   7.027   7.754  1.00  2.970          H  
ATOM     81 2HB  SER A   6       8.099   6.719   6.781  1.00  2.970          H  
ATOM     82  HG  SER A   6       8.349   8.332   8.416  1.00  2.970          H  
ATOM     83  N   THR A   7       7.394  10.010   5.117  1.00  1.850          N  
ATOM     84  CA  THR A   7       8.147  10.981   4.326  1.00  2.290          C  
ATOM     85  C   THR A   7       9.636  10.982   4.621  1.00  2.020          C  
ATOM     86  O   THR A   7      10.413  11.632   3.922  1.00  2.640          O  
ATOM     87  CB  THR A   7       7.587  12.396   4.552  1.00  3.030          C  
ATOM     88  OG1 THR A   7       7.699  12.743   5.940  1.00  3.030          O  
ATOM     89  CG2 THR A   7       6.130  12.435   4.161  1.00  3.030          C  
ATOM     90  H   THR A   7       6.770  10.358   5.834  1.00  2.220          H  
ATOM     91  HA  THR A   7       8.027  10.732   3.276  1.00  2.750          H  
ATOM     92  HB  THR A   7       8.149  13.114   3.954  1.00  3.640          H  
ATOM     93  HG1 THR A   7       8.620  12.948   6.149  1.00  3.640          H  
ATOM     94 1HG2 THR A   7       5.741  13.437   4.327  1.00  3.640          H  
ATOM     95 2HG2 THR A   7       6.021  12.178   3.117  1.00  3.640          H  
ATOM     96 3HG2 THR A   7       5.570  11.729   4.762  1.00  3.640          H  
ATOM     97  N   GLU A   8      10.028  10.300   5.690  1.00  1.540          N  
ATOM     98  CA  GLU A   8      11.429  10.197   6.072  1.00  1.700          C  
ATOM     99  C   GLU A   8      12.035   8.827   5.743  1.00  1.480          C  
ATOM    100  O   GLU A   8      13.179   8.556   6.110  1.00  1.980          O  
ATOM    101  CB  GLU A   8      11.586  10.485   7.570  1.00  2.320          C  
ATOM    102  CG  GLU A   8      11.203  11.913   7.979  1.00  2.320          C  
ATOM    103  CD  GLU A   8      11.365  12.182   9.461  1.00  2.320          C  
ATOM    104  OE1 GLU A   8      11.674  11.267  10.184  1.00  2.320          O  
ATOM    105  OE2 GLU A   8      11.178  13.309   9.863  1.00  2.320          O  
ATOM    106  H   GLU A   8       9.319   9.809   6.236  1.00  1.850          H  
ATOM    107  HA  GLU A   8      11.988  10.949   5.518  1.00  2.040          H  
ATOM    108 1HB  GLU A   8      10.960   9.796   8.136  1.00  2.780          H  
ATOM    109 2HB  GLU A   8      12.621  10.311   7.870  1.00  2.780          H  
ATOM    110 1HG  GLU A   8      11.824  12.614   7.422  1.00  2.780          H  
ATOM    111 2HG  GLU A   8      10.167  12.089   7.697  1.00  2.780          H  
ATOM    112  N   GLN A   9      11.258   7.939   5.118  1.00  1.490          N  
ATOM    113  CA  GLN A   9      11.719   6.584   4.846  1.00  1.790          C  
ATOM    114  C   GLN A   9      11.912   6.293   3.362  1.00  1.790          C  
ATOM    115  O   GLN A   9      11.371   7.018   2.540  1.00  2.210          O  
ATOM    116  CB  GLN A   9      10.743   5.595   5.485  1.00  2.390          C  
ATOM    117  CG  GLN A   9      10.694   5.716   6.988  1.00  2.390          C  
ATOM    118  CD  GLN A   9      12.020   5.353   7.587  1.00  2.390          C  
ATOM    119  OE1 GLN A   9      12.556   4.279   7.299  1.00  2.390          O  
ATOM    120  NE2 GLN A   9      12.569   6.235   8.404  1.00  2.390          N  
ATOM    121  H   GLN A   9      10.323   8.207   4.792  1.00  1.790          H  
ATOM    122  HA  GLN A   9      12.669   6.481   5.347  1.00  2.150          H  
ATOM    123 1HB  GLN A   9       9.743   5.805   5.106  1.00  2.860          H  
ATOM    124 2HB  GLN A   9      10.971   4.576   5.216  1.00  2.860          H  
ATOM    125 1HG  GLN A   9      10.467   6.744   7.262  1.00  2.860          H  
ATOM    126 2HG  GLN A   9       9.938   5.040   7.385  1.00  2.860          H  
ATOM    127 1HE2 GLN A   9      13.459   6.046   8.820  1.00  2.860          H  
ATOM    128 2HE2 GLN A   9      12.106   7.101   8.603  1.00  2.860          H  
ATOM    129  N   PRO A  10      12.701   5.261   2.986  1.00  1.790          N  
ATOM    130  CA  PRO A  10      12.862   4.775   1.625  1.00  2.030          C  
ATOM    131  C   PRO A  10      11.483   4.437   1.101  1.00  2.300          C  
ATOM    132  O   PRO A  10      10.636   3.992   1.877  1.00  2.530          O  
ATOM    133  CB  PRO A  10      13.726   3.521   1.805  1.00  3.040          C  
ATOM    134  CG  PRO A  10      14.499   3.770   3.082  1.00  3.040          C  
ATOM    135  CD  PRO A  10      13.555   4.535   3.977  1.00  3.040          C  
ATOM    136  HA  PRO A  10      13.353   5.539   1.015  1.00  2.440          H  
ATOM    137 1HB  PRO A  10      13.086   2.630   1.851  1.00  3.650          H  
ATOM    138 2HB  PRO A  10      14.386   3.396   0.935  1.00  3.650          H  
ATOM    139 1HG  PRO A  10      14.817   2.814   3.524  1.00  3.650          H  
ATOM    140 2HG  PRO A  10      15.420   4.332   2.859  1.00  3.650          H  
ATOM    141 1HD  PRO A  10      12.975   3.838   4.591  1.00  3.650          H  
ATOM    142 2HD  PRO A  10      14.170   5.217   4.578  1.00  3.650          H  
ATOM    143  N   VAL A  11      11.243   4.624  -0.194  1.00  2.770          N  
ATOM    144  CA  VAL A  11       9.880   4.378  -0.661  1.00  3.390          C  
ATOM    145  C   VAL A  11       9.621   3.358  -1.757  1.00  3.250          C  
ATOM    146  O   VAL A  11      10.386   3.184  -2.715  1.00  3.590          O  
ATOM    147  CB  VAL A  11       9.290   5.706  -1.144  1.00  4.500          C  
ATOM    148  CG1 VAL A  11       9.177   6.683   0.016  1.00  4.500          C  
ATOM    149  CG2 VAL A  11      10.161   6.308  -2.238  1.00  4.500          C  
ATOM    150  H   VAL A  11      11.993   4.975  -0.800  1.00  3.320          H  
ATOM    151  HA  VAL A  11       9.302   4.058   0.195  1.00  4.070          H  
ATOM    152  HB  VAL A  11       8.328   5.516  -1.548  1.00  5.400          H  
ATOM    153 1HG1 VAL A  11       8.749   7.608  -0.341  1.00  5.400          H  
ATOM    154 2HG1 VAL A  11       8.563   6.283   0.804  1.00  5.400          H  
ATOM    155 3HG1 VAL A  11      10.137   6.867   0.414  1.00  5.400          H  
ATOM    156 1HG2 VAL A  11       9.719   7.242  -2.577  1.00  5.400          H  
ATOM    157 2HG2 VAL A  11      11.151   6.506  -1.860  1.00  5.400          H  
ATOM    158 3HG2 VAL A  11      10.227   5.626  -3.062  1.00  5.400          H  
ATOM    159  N   HIS A  12       8.441   2.755  -1.647  1.00  3.090          N  
ATOM    160  CA  HIS A  12       7.971   1.813  -2.633  1.00  3.120          C  
ATOM    161  C   HIS A  12       7.738   2.567  -3.917  1.00  2.950          C  
ATOM    162  O   HIS A  12       7.171   3.660  -3.909  1.00  3.180          O  
ATOM    163  CB  HIS A  12       6.620   1.192  -2.234  1.00  4.360          C  
ATOM    164  CG  HIS A  12       6.628   0.355  -1.011  1.00  4.360          C  
ATOM    165  ND1 HIS A  12       7.393  -0.780  -0.891  1.00  4.360          N  
ATOM    166  CD2 HIS A  12       5.931   0.465   0.145  1.00  4.360          C  
ATOM    167  CE1 HIS A  12       7.182  -1.325   0.294  1.00  4.360          C  
ATOM    168  NE2 HIS A  12       6.298  -0.589   0.941  1.00  4.360          N  
ATOM    169  H   HIS A  12       7.889   2.942  -0.821  1.00  3.710          H  
ATOM    170  HA  HIS A  12       8.706   1.027  -2.802  1.00  3.740          H  
ATOM    171 1HB  HIS A  12       5.892   1.986  -2.087  1.00  5.230          H  
ATOM    172 2HB  HIS A  12       6.255   0.578  -3.055  1.00  5.230          H  
ATOM    173  HD2 HIS A  12       5.209   1.244   0.398  1.00  5.230          H  
ATOM    174  HE1 HIS A  12       7.654  -2.232   0.672  1.00  5.230          H  
ATOM    175  HE2 HIS A  12       5.945  -0.772   1.872  1.00  5.230          H  
ATOM    176  N   GLY A  13       8.205   2.019  -5.024  1.00  2.880          N  
ATOM    177  CA  GLY A  13       7.914   2.598  -6.324  1.00  2.830          C  
ATOM    178  C   GLY A  13       8.743   3.827  -6.655  1.00  2.050          C  
ATOM    179  O   GLY A  13       8.579   4.404  -7.730  1.00  2.600          O  
ATOM    180  H   GLY A  13       8.719   1.150  -4.967  1.00  3.460          H  
ATOM    181 1HA  GLY A  13       8.072   1.841  -7.093  1.00  3.400          H  
ATOM    182 2HA  GLY A  13       6.858   2.860  -6.359  1.00  3.400          H  
ATOM    183  N   GLY A  14       9.613   4.256  -5.741  1.00  1.500          N  
ATOM    184  CA  GLY A  14      10.379   5.464  -5.981  1.00  1.800          C  
ATOM    185  C   GLY A  14       9.513   6.713  -5.774  1.00  1.630          C  
ATOM    186  O   GLY A  14       9.831   7.781  -6.296  1.00  1.620          O  
ATOM    187  H   GLY A  14       9.744   3.752  -4.857  1.00  1.800          H  
ATOM    188 1HA  GLY A  14      11.227   5.490  -5.297  1.00  2.160          H  
ATOM    189 2HA  GLY A  14      10.781   5.454  -6.992  1.00  2.160          H  
ATOM    190  N   ARG A  15       8.379   6.577  -5.064  1.00  1.620          N  
ATOM    191  CA  ARG A  15       7.483   7.710  -4.830  1.00  1.530          C  
ATOM    192  C   ARG A  15       6.951   7.737  -3.405  1.00  1.660          C  
ATOM    193  O   ARG A  15       6.729   6.696  -2.794  1.00  2.120          O  
ATOM    194  CB  ARG A  15       6.295   7.641  -5.777  1.00  2.180          C  
ATOM    195  CG  ARG A  15       5.422   6.384  -5.582  1.00  2.180          C  
ATOM    196  CD  ARG A  15       4.263   6.333  -6.494  1.00  2.180          C  
ATOM    197  NE  ARG A  15       3.461   5.117  -6.264  1.00  2.180          N  
ATOM    198  CZ  ARG A  15       3.628   3.927  -6.883  1.00  2.180          C  
ATOM    199  NH1 ARG A  15       4.560   3.746  -7.808  1.00  2.180          N  
ATOM    200  NH2 ARG A  15       2.821   2.946  -6.532  1.00  2.180          N  
ATOM    201  H   ARG A  15       8.120   5.664  -4.675  1.00  1.940          H  
ATOM    202  HA  ARG A  15       8.033   8.636  -5.009  1.00  1.840          H  
ATOM    203 1HB  ARG A  15       5.663   8.519  -5.631  1.00  2.610          H  
ATOM    204 2HB  ARG A  15       6.651   7.651  -6.806  1.00  2.610          H  
ATOM    205 1HG  ARG A  15       6.027   5.491  -5.742  1.00  2.610          H  
ATOM    206 2HG  ARG A  15       5.018   6.363  -4.572  1.00  2.610          H  
ATOM    207 1HD  ARG A  15       3.627   7.199  -6.302  1.00  2.610          H  
ATOM    208 2HD  ARG A  15       4.594   6.350  -7.527  1.00  2.610          H  
ATOM    209  HE  ARG A  15       2.717   5.141  -5.541  1.00  2.610          H  
ATOM    210 1HH1 ARG A  15       5.174   4.507  -8.068  1.00  2.610          H  
ATOM    211 2HH1 ARG A  15       4.663   2.847  -8.254  1.00  2.610          H  
ATOM    212 1HH2 ARG A  15       2.121   3.150  -5.799  1.00  2.610          H  
ATOM    213 2HH2 ARG A  15       2.888   2.035  -6.955  1.00  2.610          H  
ATOM    214  N   ILE A  16       6.681   8.926  -2.888  1.00  1.390          N  
ATOM    215  CA  ILE A  16       6.097   9.025  -1.562  1.00  1.560          C  
ATOM    216  C   ILE A  16       4.614   9.278  -1.671  1.00  1.350          C  
ATOM    217  O   ILE A  16       4.191  10.210  -2.355  1.00  1.030          O  
ATOM    218  CB  ILE A  16       6.805  10.122  -0.702  1.00  2.120          C  
ATOM    219  CG1 ILE A  16       6.180  10.230   0.722  1.00  2.120          C  
ATOM    220  CG2 ILE A  16       6.770  11.496  -1.377  1.00  2.120          C  
ATOM    221  CD1 ILE A  16       6.411   9.057   1.614  1.00  2.120          C  
ATOM    222  H   ILE A  16       6.834   9.763  -3.450  1.00  1.670          H  
ATOM    223  HA  ILE A  16       6.235   8.070  -1.061  1.00  1.870          H  
ATOM    224  HB  ILE A  16       7.849   9.837  -0.576  1.00  2.540          H  
ATOM    225 1HG1 ILE A  16       6.606  11.098   1.199  1.00  2.540          H  
ATOM    226 2HG1 ILE A  16       5.102  10.382   0.637  1.00  2.540          H  
ATOM    227 1HG2 ILE A  16       7.305  12.212  -0.761  1.00  2.540          H  
ATOM    228 2HG2 ILE A  16       7.244  11.442  -2.345  1.00  2.540          H  
ATOM    229 3HG2 ILE A  16       5.750  11.840  -1.502  1.00  2.540          H  
ATOM    230 1HD1 ILE A  16       5.940   9.243   2.577  1.00  2.540          H  
ATOM    231 2HD1 ILE A  16       5.973   8.185   1.179  1.00  2.540          H  
ATOM    232 3HD1 ILE A  16       7.480   8.893   1.752  1.00  2.540          H  
ATOM    233  N   ARG A  17       3.817   8.471  -0.984  1.00  1.680          N  
ATOM    234  CA  ARG A  17       2.382   8.653  -1.017  1.00  1.700          C  
ATOM    235  C   ARG A  17       1.798   8.598   0.376  1.00  2.000          C  
ATOM    236  O   ARG A  17       2.095   7.714   1.171  1.00  2.570          O  
ATOM    237  CB  ARG A  17       1.729   7.602  -1.890  1.00  2.370          C  
ATOM    238  CG  ARG A  17       0.208   7.705  -2.049  1.00  2.370          C  
ATOM    239  CD  ARG A  17      -0.265   6.630  -2.939  1.00  2.370          C  
ATOM    240  NE  ARG A  17      -1.701   6.609  -3.109  1.00  2.370          N  
ATOM    241  CZ  ARG A  17      -2.355   5.811  -3.994  1.00  2.370          C  
ATOM    242  NH1 ARG A  17      -1.677   4.980  -4.781  1.00  2.370          N  
ATOM    243  NH2 ARG A  17      -3.680   5.852  -4.080  1.00  2.370          N  
ATOM    244  H   ARG A  17       4.207   7.699  -0.453  1.00  2.020          H  
ATOM    245  HA  ARG A  17       2.162   9.631  -1.429  1.00  2.040          H  
ATOM    246 1HB  ARG A  17       2.166   7.636  -2.886  1.00  2.850          H  
ATOM    247 2HB  ARG A  17       1.942   6.631  -1.490  1.00  2.850          H  
ATOM    248 1HG  ARG A  17      -0.283   7.601  -1.097  1.00  2.850          H  
ATOM    249 2HG  ARG A  17      -0.081   8.658  -2.471  1.00  2.850          H  
ATOM    250 1HD  ARG A  17       0.206   6.726  -3.916  1.00  2.850          H  
ATOM    251 2HD  ARG A  17       0.017   5.697  -2.489  1.00  2.850          H  
ATOM    252  HE  ARG A  17      -2.259   7.197  -2.474  1.00  2.850          H  
ATOM    253 1HH1 ARG A  17      -0.648   4.899  -4.706  1.00  2.850          H  
ATOM    254 2HH1 ARG A  17      -2.166   4.388  -5.432  1.00  2.850          H  
ATOM    255 1HH2 ARG A  17      -4.216   6.470  -3.487  1.00  2.850          H  
ATOM    256 2HH2 ARG A  17      -4.161   5.255  -4.732  1.00  2.850          H  
ATOM    257  N   LEU A  18       0.970   9.576   0.675  1.00  1.860          N  
ATOM    258  CA  LEU A  18       0.282   9.615   1.939  1.00  2.430          C  
ATOM    259  C   LEU A  18      -1.205   9.524   1.646  1.00  2.570          C  
ATOM    260  O   LEU A  18      -1.823  10.515   1.228  1.00  2.310          O  
ATOM    261  CB  LEU A  18       0.617  10.931   2.652  1.00  3.170          C  
ATOM    262  CG  LEU A  18       2.147  11.240   2.823  1.00  3.170          C  
ATOM    263  CD1 LEU A  18       2.297  12.614   3.439  1.00  3.170          C  
ATOM    264  CD2 LEU A  18       2.831  10.169   3.673  1.00  3.170          C  
ATOM    265  H   LEU A  18       0.796  10.302  -0.022  1.00  2.230          H  
ATOM    266  HA  LEU A  18       0.566   8.754   2.546  1.00  2.920          H  
ATOM    267 1HB  LEU A  18       0.174  11.751   2.085  1.00  3.810          H  
ATOM    268 2HB  LEU A  18       0.165  10.910   3.641  1.00  3.810          H  
ATOM    269  HG  LEU A  18       2.620  11.257   1.841  1.00  3.810          H  
ATOM    270 1HD1 LEU A  18       3.347  12.856   3.538  1.00  3.810          H  
ATOM    271 2HD1 LEU A  18       1.817  13.352   2.794  1.00  3.810          H  
ATOM    272 3HD1 LEU A  18       1.827  12.628   4.420  1.00  3.810          H  
ATOM    273 1HD2 LEU A  18       3.888  10.391   3.767  1.00  3.810          H  
ATOM    274 2HD2 LEU A  18       2.385  10.131   4.663  1.00  3.810          H  
ATOM    275 3HD2 LEU A  18       2.727   9.198   3.199  1.00  3.810          H  
ATOM    276  N   GLY A  19      -1.817   8.367   1.853  1.00  3.130          N  
ATOM    277  CA  GLY A  19      -3.216   8.290   1.457  1.00  3.380          C  
ATOM    278  C   GLY A  19      -3.354   8.509  -0.056  1.00  3.040          C  
ATOM    279  O   GLY A  19      -2.884   7.691  -0.848  1.00  3.170          O  
ATOM    280  H   GLY A  19      -1.307   7.554   2.228  1.00  3.760          H  
ATOM    281 1HA  GLY A  19      -3.616   7.311   1.726  1.00  4.060          H  
ATOM    282 2HA  GLY A  19      -3.796   9.038   1.996  1.00  4.060          H  
ATOM    283  N   THR A  20      -4.056   9.576  -0.457  1.00  2.840          N  
ATOM    284  CA  THR A  20      -4.294   9.883  -1.869  1.00  2.780          C  
ATOM    285  C   THR A  20      -3.367  10.959  -2.465  1.00  2.270          C  
ATOM    286  O   THR A  20      -3.514  11.331  -3.631  1.00  2.490          O  
ATOM    287  CB  THR A  20      -5.751  10.335  -2.064  1.00  3.920          C  
ATOM    288  OG1 THR A  20      -5.984  11.532  -1.307  1.00  3.920          O  
ATOM    289  CG2 THR A  20      -6.686   9.243  -1.568  1.00  3.920          C  
ATOM    290  H   THR A  20      -4.425  10.212   0.240  1.00  3.410          H  
ATOM    291  HA  THR A  20      -4.141   8.970  -2.442  1.00  3.340          H  
ATOM    292  HB  THR A  20      -5.943  10.530  -3.120  1.00  4.700          H  
ATOM    293  HG1 THR A  20      -5.570  12.278  -1.760  1.00  4.700          H  
ATOM    294 1HG2 THR A  20      -7.718   9.566  -1.701  1.00  4.700          H  
ATOM    295 2HG2 THR A  20      -6.512   8.332  -2.137  1.00  4.700          H  
ATOM    296 3HG2 THR A  20      -6.504   9.050  -0.514  1.00  4.700          H  
ATOM    297  N   ILE A  21      -2.438  11.481  -1.670  1.00  1.820          N  
ATOM    298  CA  ILE A  21      -1.535  12.537  -2.135  1.00  1.560          C  
ATOM    299  C   ILE A  21      -0.107  12.036  -2.305  1.00  1.190          C  
ATOM    300  O   ILE A  21       0.482  11.476  -1.383  1.00  1.130          O  
ATOM    301  CB  ILE A  21      -1.556  13.747  -1.175  1.00  2.290          C  
ATOM    302  CG1 ILE A  21      -2.999  14.339  -1.147  1.00  2.290          C  
ATOM    303  CG2 ILE A  21      -0.501  14.806  -1.612  1.00  2.290          C  
ATOM    304  CD1 ILE A  21      -3.252  15.373  -0.069  1.00  2.290          C  
ATOM    305  H   ILE A  21      -2.350  11.124  -0.712  1.00  2.180          H  
ATOM    306  HA  ILE A  21      -1.881  12.879  -3.108  1.00  1.870          H  
ATOM    307  HB  ILE A  21      -1.325  13.404  -0.165  1.00  2.750          H  
ATOM    308 1HG1 ILE A  21      -3.209  14.789  -2.116  1.00  2.750          H  
ATOM    309 2HG1 ILE A  21      -3.701  13.526  -0.987  1.00  2.750          H  
ATOM    310 1HG2 ILE A  21      -0.513  15.647  -0.930  1.00  2.750          H  
ATOM    311 2HG2 ILE A  21       0.500  14.374  -1.603  1.00  2.750          H  
ATOM    312 3HG2 ILE A  21      -0.732  15.156  -2.619  1.00  2.750          H  
ATOM    313 1HD1 ILE A  21      -4.287  15.709  -0.132  1.00  2.750          H  
ATOM    314 2HD1 ILE A  21      -3.075  14.927   0.912  1.00  2.750          H  
ATOM    315 3HD1 ILE A  21      -2.596  16.227  -0.198  1.00  2.750          H  
ATOM    316  N   ALA A  22       0.482  12.262  -3.479  1.00  1.300          N  
ATOM    317  CA  ALA A  22       1.834  11.757  -3.700  1.00  1.080          C  
ATOM    318  C   ALA A  22       2.724  12.704  -4.472  1.00  1.120          C  
ATOM    319  O   ALA A  22       2.257  13.541  -5.251  1.00  1.700          O  
ATOM    320  CB  ALA A  22       1.778  10.443  -4.459  1.00  1.600          C  
ATOM    321  H   ALA A  22      -0.022  12.744  -4.212  1.00  1.560          H  
ATOM    322  HA  ALA A  22       2.292  11.605  -2.728  1.00  1.300          H  
ATOM    323 1HB  ALA A  22       2.792  10.056  -4.585  1.00  1.920          H  
ATOM    324 2HB  ALA A  22       1.194   9.742  -3.919  1.00  1.920          H  
ATOM    325 3HB  ALA A  22       1.330  10.611  -5.434  1.00  1.920          H  
ATOM    326  N   GLU A  23       4.026  12.531  -4.250  1.00  0.820          N  
ATOM    327  CA  GLU A  23       5.060  13.292  -4.932  1.00  1.200          C  
ATOM    328  C   GLU A  23       6.153  12.340  -5.458  1.00  1.000          C  
ATOM    329  O   GLU A  23       6.537  11.374  -4.782  1.00  0.930          O  
ATOM    330  CB  GLU A  23       5.655  14.349  -3.985  1.00  1.530          C  
ATOM    331  CG  GLU A  23       4.645  15.416  -3.519  1.00  1.530          C  
ATOM    332  CD  GLU A  23       5.242  16.496  -2.636  1.00  1.530          C  
ATOM    333  OE1 GLU A  23       6.402  16.412  -2.336  1.00  1.530          O  
ATOM    334  OE2 GLU A  23       4.530  17.402  -2.270  1.00  1.530          O  
ATOM    335  H   GLU A  23       4.283  11.805  -3.571  1.00  0.980          H  
ATOM    336  HA  GLU A  23       4.583  13.812  -5.755  1.00  1.440          H  
ATOM    337 1HB  GLU A  23       6.050  13.859  -3.099  1.00  1.830          H  
ATOM    338 2HB  GLU A  23       6.486  14.861  -4.464  1.00  1.830          H  
ATOM    339 1HG  GLU A  23       4.199  15.882  -4.397  1.00  1.830          H  
ATOM    340 2HG  GLU A  23       3.848  14.921  -2.967  1.00  1.830          H  
ATOM    341  N   PRO A  24       6.754  12.616  -6.630  1.00  1.180          N  
ATOM    342  CA  PRO A  24       7.790  11.810  -7.270  1.00  1.220          C  
ATOM    343  C   PRO A  24       9.160  11.993  -6.636  1.00  1.160          C  
ATOM    344  O   PRO A  24      10.093  12.488  -7.271  1.00  1.500          O  
ATOM    345  CB  PRO A  24       7.765  12.347  -8.705  1.00  1.830          C  
ATOM    346  CG  PRO A  24       7.389  13.806  -8.547  1.00  1.830          C  
ATOM    347  CD  PRO A  24       6.380  13.826  -7.403  1.00  1.830          C  
ATOM    348  HA  PRO A  24       7.495  10.750  -7.241  1.00  1.460          H  
ATOM    349 1HB  PRO A  24       8.748  12.204  -9.180  1.00  2.200          H  
ATOM    350 2HB  PRO A  24       7.038  11.781  -9.306  1.00  2.200          H  
ATOM    351 1HG  PRO A  24       8.293  14.399  -8.327  1.00  2.200          H  
ATOM    352 2HG  PRO A  24       6.976  14.196  -9.490  1.00  2.200          H  
ATOM    353 1HD  PRO A  24       6.513  14.743  -6.810  1.00  2.200          H  
ATOM    354 2HD  PRO A  24       5.364  13.733  -7.822  1.00  2.200          H  
ATOM    355  N   ILE A  25       9.255  11.615  -5.372  1.00  1.180          N  
ATOM    356  CA  ILE A  25      10.495  11.745  -4.631  1.00  1.270          C  
ATOM    357  C   ILE A  25      11.097  10.381  -4.334  1.00  1.600          C  
ATOM    358  O   ILE A  25      10.604   9.622  -3.496  1.00  2.310          O  
ATOM    359  CB  ILE A  25      10.263  12.503  -3.321  1.00  1.740          C  
ATOM    360  CG1 ILE A  25       9.666  13.894  -3.646  1.00  1.740          C  
ATOM    361  CG2 ILE A  25      11.595  12.636  -2.571  1.00  1.740          C  
ATOM    362  CD1 ILE A  25       9.167  14.666  -2.460  1.00  1.740          C  
ATOM    363  H   ILE A  25       8.414  11.242  -4.939  1.00  1.420          H  
ATOM    364  HA  ILE A  25      11.206  12.307  -5.235  1.00  1.520          H  
ATOM    365  HB  ILE A  25       9.554  11.961  -2.705  1.00  2.090          H  
ATOM    366 1HG1 ILE A  25      10.424  14.486  -4.153  1.00  2.090          H  
ATOM    367 2HG1 ILE A  25       8.825  13.767  -4.321  1.00  2.090          H  
ATOM    368 1HG2 ILE A  25      11.450  13.161  -1.636  1.00  2.090          H  
ATOM    369 2HG2 ILE A  25      12.002  11.661  -2.359  1.00  2.090          H  
ATOM    370 3HG2 ILE A  25      12.305  13.187  -3.187  1.00  2.090          H  
ATOM    371 1HD1 ILE A  25       8.758  15.620  -2.799  1.00  2.090          H  
ATOM    372 2HD1 ILE A  25       8.379  14.104  -1.962  1.00  2.090          H  
ATOM    373 3HD1 ILE A  25       9.966  14.859  -1.758  1.00  2.090          H  
ATOM    374  N   ASN A  26      12.228  10.096  -4.957  1.00  1.700          N  
ATOM    375  CA  ASN A  26      12.855   8.794  -4.798  1.00  2.200          C  
ATOM    376  C   ASN A  26      13.676   8.730  -3.522  1.00  2.750          C  
ATOM    377  O   ASN A  26      14.905   8.788  -3.555  1.00  3.250          O  
ATOM    378  CB  ASN A  26      13.706   8.457  -6.008  1.00  2.880          C  
ATOM    379  CG  ASN A  26      14.181   7.025  -6.015  1.00  2.880          C  
ATOM    380  OD1 ASN A  26      13.714   6.197  -5.225  1.00  2.880          O  
ATOM    381  ND2 ASN A  26      15.095   6.718  -6.906  1.00  2.880          N  
ATOM    382  H   ASN A  26      12.616  10.771  -5.603  1.00  2.040          H  
ATOM    383  HA  ASN A  26      12.069   8.044  -4.713  1.00  2.640          H  
ATOM    384 1HB  ASN A  26      13.124   8.638  -6.913  1.00  3.460          H  
ATOM    385 2HB  ASN A  26      14.573   9.115  -6.039  1.00  3.460          H  
ATOM    386 1HD2 ASN A  26      15.447   5.783  -6.963  1.00  3.460          H  
ATOM    387 2HD2 ASN A  26      15.443   7.419  -7.528  1.00  3.460          H  
ATOM    388  N   LEU A  27      12.982   8.659  -2.395  1.00  3.270          N  
ATOM    389  CA  LEU A  27      13.648   8.585  -1.106  1.00  4.240          C  
ATOM    390  C   LEU A  27      14.319   7.222  -1.005  1.00  4.790          C  
ATOM    391  O   LEU A  27      13.714   6.193  -1.351  1.00  5.140          O  
ATOM    392  CB  LEU A  27      12.647   8.722   0.054  1.00  5.550          C  
ATOM    393  CG  LEU A  27      11.852  10.059   0.196  1.00  5.550          C  
ATOM    394  CD1 LEU A  27      10.828   9.925   1.334  1.00  5.550          C  
ATOM    395  CD2 LEU A  27      12.806  11.212   0.480  1.00  5.550          C  
ATOM    396  H   LEU A  27      11.965   8.673  -2.486  1.00  3.920          H  
ATOM    397  HA  LEU A  27      14.417   9.351  -1.049  1.00  5.090          H  
ATOM    398 1HB  LEU A  27      11.940   7.937  -0.041  1.00  6.660          H  
ATOM    399 2HB  LEU A  27      13.182   8.560   0.992  1.00  6.660          H  
ATOM    400  HG  LEU A  27      11.299  10.246  -0.718  1.00  6.660          H  
ATOM    401 1HD1 LEU A  27      10.262  10.850   1.424  1.00  6.660          H  
ATOM    402 2HD1 LEU A  27      10.146   9.115   1.131  1.00  6.660          H  
ATOM    403 3HD1 LEU A  27      11.345   9.725   2.275  1.00  6.660          H  
ATOM    404 1HD2 LEU A  27      12.234  12.133   0.581  1.00  6.660          H  
ATOM    405 2HD2 LEU A  27      13.343  11.017   1.410  1.00  6.660          H  
ATOM    406 3HD2 LEU A  27      13.517  11.322  -0.333  1.00  6.660          H  
ATOM    407  N   ILE A  28      15.554   7.213  -0.509  1.00  5.130          N  
ATOM    408  CA  ILE A  28      16.318   5.989  -0.307  1.00  5.720          C  
ATOM    409  C   ILE A  28      17.074   6.087   1.009  1.00  6.880          C  
ATOM    410  O   ILE A  28      17.413   5.071   1.617  1.00  7.470          O  
ATOM    411  OXT ILE A  28      17.525   7.180   1.344  1.00  8.580          O  
ATOM    412  CB  ILE A  28      17.314   5.730  -1.473  1.00  7.370          C  
ATOM    413  CG1 ILE A  28      16.534   5.623  -2.836  1.00  7.370          C  
ATOM    414  CG2 ILE A  28      18.131   4.452  -1.192  1.00  7.370          C  
ATOM    415  CD1 ILE A  28      17.392   5.561  -4.073  1.00  7.370          C  
ATOM    416  H   ILE A  28      15.984   8.097  -0.266  1.00  6.160          H  
ATOM    417  HA  ILE A  28      15.632   5.148  -0.248  1.00  6.860          H  
ATOM    418  HB  ILE A  28      17.994   6.576  -1.557  1.00  8.840          H  
ATOM    419 1HG1 ILE A  28      15.892   4.746  -2.802  1.00  8.840          H  
ATOM    420 2HG1 ILE A  28      15.921   6.494  -2.964  1.00  8.840          H  
ATOM    421 1HG2 ILE A  28      18.836   4.274  -1.990  1.00  8.840          H  
ATOM    422 2HG2 ILE A  28      18.686   4.557  -0.267  1.00  8.840          H  
ATOM    423 3HG2 ILE A  28      17.453   3.603  -1.109  1.00  8.840          H  
ATOM    424 1HD1 ILE A  28      16.747   5.507  -4.942  1.00  8.840          H  
ATOM    425 2HD1 ILE A  28      18.006   6.459  -4.133  1.00  8.840          H  
ATOM    426 3HD1 ILE A  28      18.028   4.689  -4.054  1.00  8.840          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 -122.874 13.4404 93.6039 -8.29232 3.68514 6.1164 45.1879 -50.6408 -0.41632 -2.16569 -38.9968 -12.4423 -10.708 -6.16873 -3.51299 -3.73757 0 -0.05965 1.48513 13.8509 23.2953 -10.977 5.78356 -15.9022 -6.4076 14.551 -72.3026
SER:NtermProteinFull_1 -3.01908 0.1387 4.20101 -0.02157 7e-05 0.03155 1.61183 -1.81954 -0.07997 -0.23163 -2.1239 -1.76916 0 0 0 0 0 0.1375 0.00165 0.6323 0 0 0.6215 -0.77834 0 0.06942 -2.39766
ASP_2 -6.79024 0.85532 8.39771 -0.16827 0.05745 0.59896 4.17942 -3.43399 -0.01106 -0.09594 -5.99251 -1.7268 0 0 -0.44463 -1.86878 0 -0.05404 0.04497 0 4.24906 0.018 0 -2.3716 -0.21457 0.60825 -4.16328
GLU_3 -5.58348 0.39159 6.77353 -0.32916 0.06822 0.45316 1.88006 -2.89992 -0.09324 -0.32506 -2.09534 -0.52819 0 0 -0.44463 0 0 -0.11099 0.0416 0 3.68903 -0.2507 0 -2.7348 -0.47649 0.6973 -1.87752
ASP_4 -2.64889 0.22681 4.04834 -0.12222 0.0232 0.3813 1.21146 -1.69385 -0.01327 -0.09342 -1.44702 -0.2868 0 0 0 0 0 -0.05493 0.01275 0 2.53213 -0.3117 0 -2.3716 -0.60019 0.29774 -0.91015
LEU_5 -7.6706 1.23772 3.09372 -0.48638 0.21766 0.08321 3.23822 -2.51433 -0.00791 -0.08724 -0.99413 0.34277 0 0 0 0 0 0.11086 0.52119 0.4228 0 -0.14958 0 0.18072 -0.59014 0.59842 -2.45302
SER_6 -3.65861 0.39355 3.33869 -0.02984 0 0.0521 1.49658 -1.74755 -0.01124 -0.14786 -0.68812 -1.06542 0 0 -0.78929 0 0 0.13592 0.13661 1.2643 0 0.07781 0.63652 -0.77834 -0.27656 0.58199 -1.07874
THR_7 -3.25429 0.32385 1.18309 -0.13016 0.08062 0.06747 0.4573 -1.05344 -0.01124 -0.14786 0.08925 -0.87513 0 0 0 0 0 -0.01177 1e-05 0.0686 0 0.00094 2.2653 -1.0874 -0.14981 0.23306 -1.95159
GLU_8 -2.55847 0.25596 2.4751 -0.23009 0.04668 0.37782 0.77258 -1.14483 -0 -0 -0.43841 -0.5379 0 0 -0.78929 0 0 0.00941 0.00084 0 2.92459 0.09249 0 -2.7348 -0.20295 0.20112 -1.48016
GLN_9 -4.65325 0.68153 4.50898 -0.62465 0.14614 0.61545 1.87275 -2.05598 -0 -0 -0.57437 -0.72438 0 0 0 0 0 0.13111 0.09551 0 2.16316 -0.00234 0 -0.18838 -0.183 0.84719 2.05548
PRO_10 -3.66441 0.72134 1.91987 -0.13008 0.00093 0.09659 0.31264 -0.95502 -0.0133 -0.05601 -1.12397 0.21103 0 0 0 0 0 0.12511 0.02269 0.11953 0 -1.14826 0 -2.4119 -0.40324 1.09553 -5.28092
VAL_11 -7.74793 1.3716 2.24532 -0.31768 0.32393 0.07039 1.98668 -2.4593 -0 -0 -1.87588 -0.47536 0 0 0 0 0 -0.0124 0.0182 0.73072 0 -0.46701 0 1.9342 -0.3883 1.07237 -3.99046
HIS_12 -4.5762 0.35309 3.39655 -0.39018 0.00524 0.43635 1.81391 -1.85752 -0.0133 -0.05601 -0.09593 -0.42349 0 0 0 0 0 0.19978 0.03259 0 2.7743 -0.0319 0 -0.45461 -0.31655 1.01861 1.81475
GLY_13 -1.64693 0.13104 1.68823 -5e-05 0 0 0.43529 -0.86889 -0 -0 0.29864 -0.41451 0 0 0 0 0 -0.1435 0 0 0 -1.37954 0 0.83697 -0.61574 0.38308 -1.29589
GLY_14 -3.12094 0.30632 2.6717 -5e-05 0 0 0.91592 -1.56725 -0.0005 -0.00781 -0.92838 -0.41329 0 0 0 0 0 -0.16659 0 0 0 -1.29865 0 0.83697 -0.86596 0.18563 -3.45289
ARG_15 -6.25797 0.45692 6.01032 -0.80038 0.27284 0.62059 2.66355 -2.92296 -0.00303 -0.01607 -2.44968 -0.07233 0 0 0 -1.0959 0 -0.0013 0.12413 2.98819 0 -0.23528 0 -1.2888 -0.59365 0.398 -2.20279
ILE_16 -7.92758 0.79473 2.16582 -0.66837 0.49508 0.15162 2.74312 -2.38029 -0.04534 -0.15432 -1.54208 0.0701 0 0 0 0 0 -0.03105 0.10943 2.28276 0 -0.70389 0 0.73287 -0.38965 0.55107 -3.74595
ARG_17 -9.08624 0.82364 7.93689 -0.51802 0.08205 0.28021 2.7811 -3.67518 -0.00665 -0.02637 -2.26822 0.46157 0 0 -0.52258 -0.77288 0 0.04087 0.06699 2.18966 0 -0.12391 0 -1.2888 -0.27931 0.4938 -3.41139
LEU_18 -4.47059 0.34537 3.30429 -0.49694 0.19476 0.13713 2.14551 -1.97779 -0.00566 -0.09743 -2.66349 -0.09574 0 0 0 0 0 -0.05552 0.15849 1.12241 0 -0.09585 0 0.18072 0.27857 0.62386 -1.46789
GLY_19 -2.60901 0.11752 3.18244 -0.00018 0 0 1.68545 -1.49467 -0 -0 -2.06436 -0.33194 0 0 -0.52258 0 0 -0.31395 0 0 0 -1.32251 0 0.83697 0.45575 0.471 -1.91006
THR_20 -1.8663 0.08272 1.7768 -0.13156 0.09469 0.07592 0.43148 -0.8846 -0.01563 -0.13179 0.04584 -0.99325 0 0 0 0 0 -0.05239 0.00653 0.01663 0 -0.35298 2.26023 -1.0874 -0.07516 0.26154 -0.53868
ILE_21 -3.21309 0.20726 3.59859 -0.46461 0.33139 0.09904 2.05911 -1.69219 -0 -0 -2.20137 0.0251 0 0 0 0 0 -0.03902 0.00824 0.45316 0 -0.77448 0 0.73287 -0.51487 0.34022 -1.04464
ALA_22 -2.8324 0.48437 0.79367 -0.02202 0 0 0.52433 -0.8405 -0.00997 -0.03436 -0.48494 -0.34045 0 0 0 0 0 0.0026 0 0 0 -0.3206 0 1.8394 -0.18254 0.38126 -1.04214
GLU_23 -4.06049 0.53406 3.54117 -0.19219 0.02936 0.28271 2.88597 -1.75279 -0.0005 -0.00781 -3.00652 -0.59944 0 0 0 0 0 0.07326 0.01416 0 3.12213 -0.02212 0 -2.7348 0.23002 0.87568 -0.78813
PRO_24 -1.74901 0.32129 0.82385 -0.17454 0.0649 0.12194 0.11155 -0.38414 -0.0061 -0.01841 -0.06041 0.06301 0 0 0 0 0 0.00599 0.00035 0.18678 0 -0.88656 0 -2.4119 0.45222 0.79308 -2.74611
ILE_25 -5.37214 0.50423 3.44995 -0.4938 0.41423 0.1214 2.32775 -2.03 -0.05251 -0.27545 -1.49975 -0.19388 0 0 0 0 0 -0.04712 0.03342 0.27021 0 -0.59874 0 0.73287 0.18663 0.32476 -2.19795
ASN_26 -3.43582 0.12593 1.973 -0.34554 0.07165 0.66844 0.37003 -1.31691 -0.01286 -0.12015 -0.0399 -0.79338 0 0 0 0 0 0.09942 0.00452 0 1.84089 -0.54226 0 -0.93687 -0.13416 0.27248 -2.2515
LEU_27 -6.68979 0.93254 3.1585 -0.45688 0.1445 0.08679 2.11066 -2.28853 -0.00306 -0.0347 -2.23976 0.26496 0 0 0 0 0 -0.03694 0.02985 0.72573 0 -0.14737 0 0.18072 -0.28491 0.30606 -4.24166
ILE:CtermProteinFull_28 -2.71062 0.32136 1.94683 -0.5469 0.51956 0.20628 0.16367 -0.92887 -0 -0 -0.53212 -1.21999 0 0 0 0 0 0 0.00041 0.37715 0 0 0 0.73287 -0.27307 0.5685 -1.37495
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

