REMARK ID 699818 DOMAINID 690204 MODEL 1 LI0649-38
MODEL     1
REMARK    Rerank model04.pdb to model01.pdb score: 17.678
REMARK    CLUSTER 0004 t000_.out.valid.rescored.best_scoring.binary cluster_size: 13 cluster_threshold: 2.150861
REMARK    SCORE             ref:           2.371
REMARK    SCORE         p_aa_pp:          -4.150
REMARK    SCORE     hbond_sr_bb:          -5.161
REMARK    SCORE        hbond_sc:          -6.677
REMARK    SCORE     lk_ball_wtd:          -3.835
REMARK    SCORE           score:         -41.504
REMARK    SCORE           omega:          -0.697
REMARK    SCORE     description: cluster0004_0001
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     cart_bonded:          11.127
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE    fa_intra_rep:           0.250
REMARK    SCORE          fa_rep:          10.849
REMARK    SCORE         fa_elec:         -41.821
REMARK    SCORE     total_score:         -41.504
REMARK    SCORE fa_intra_sol_xover4:           5.155
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     hbond_bb_sc:          -8.686
REMARK    SCORE     rama_prepro:          -4.581
REMARK    SCORE     hbond_lr_bb:          -7.222
REMARK    SCORE          fa_sol:          92.394
REMARK    SCORE          fa_dun:          37.291
REMARK    SCORE          fa_atr:        -118.111
REMARK    SCORE            time:           0.000
ATOM      1  N   SER A   1      -0.582   0.368  -0.942  1.00  5.120          N  
ATOM      2  CA  SER A   1       0.864   0.200  -0.851  1.00  4.540          C  
ATOM      3  C   SER A   1       1.600   1.509  -0.649  1.00  3.510          C  
ATOM      4  O   SER A   1       1.356   2.496  -1.341  1.00  3.600          O  
ATOM      5  CB  SER A   1       1.428  -0.465  -2.071  1.00  6.590          C  
ATOM      6  OG  SER A   1       2.814  -0.428  -1.990  1.00  6.590          O  
ATOM      7 1H   SER A   1      -0.959  -0.301  -1.597  1.00  6.140          H  
ATOM      8 2H   SER A   1      -0.996   0.219  -0.032  1.00  6.140          H  
ATOM      9 3H   SER A   1      -0.789   1.305  -1.257  1.00  6.140          H  
ATOM     10  HA  SER A   1       1.074  -0.438   0.008  1.00  5.450          H  
ATOM     11 1HB  SER A   1       1.088  -1.498  -2.126  1.00  7.910          H  
ATOM     12 2HB  SER A   1       1.095   0.048  -2.969  1.00  7.910          H  
ATOM     13  HG  SER A   1       3.152  -0.969  -2.749  1.00  7.910          H  
ATOM     14  N   GLY A   2       2.518   1.523   0.310  1.00  3.080          N  
ATOM     15  CA  GLY A   2       3.301   2.722   0.608  1.00  2.530          C  
ATOM     16  C   GLY A   2       4.551   2.841  -0.266  1.00  2.030          C  
ATOM     17  O   GLY A   2       5.312   3.797  -0.135  1.00  2.250          O  
ATOM     18  H   GLY A   2       2.684   0.684   0.852  1.00  3.700          H  
ATOM     19 1HA  GLY A   2       2.677   3.606   0.473  1.00  3.040          H  
ATOM     20 2HA  GLY A   2       3.595   2.703   1.657  1.00  3.040          H  
ATOM     21  N   GLN A   3       4.737   1.890  -1.182  1.00  1.740          N  
ATOM     22  CA  GLN A   3       5.898   1.790  -2.069  1.00  1.700          C  
ATOM     23  C   GLN A   3       6.047   2.984  -2.995  1.00  1.330          C  
ATOM     24  O   GLN A   3       7.141   3.308  -3.449  1.00  1.850          O  
ATOM     25  CB  GLN A   3       5.773   0.523  -2.901  1.00  2.400          C  
ATOM     26  CG  GLN A   3       5.945  -0.760  -2.104  1.00  2.400          C  
ATOM     27  CD  GLN A   3       5.544  -1.964  -2.916  1.00  2.400          C  
ATOM     28  OE1 GLN A   3       4.413  -1.988  -3.437  1.00  2.400          O  
ATOM     29  NE2 GLN A   3       6.427  -2.947  -3.035  1.00  2.400          N  
ATOM     30  H   GLN A   3       4.026   1.163  -1.255  1.00  2.090          H  
ATOM     31  HA  GLN A   3       6.795   1.724  -1.453  1.00  2.040          H  
ATOM     32 1HB  GLN A   3       4.802   0.509  -3.394  1.00  2.880          H  
ATOM     33 2HB  GLN A   3       6.530   0.530  -3.685  1.00  2.880          H  
ATOM     34 1HG  GLN A   3       6.994  -0.866  -1.832  1.00  2.880          H  
ATOM     35 2HG  GLN A   3       5.331  -0.720  -1.208  1.00  2.880          H  
ATOM     36 1HE2 GLN A   3       6.198  -3.766  -3.566  1.00  2.880          H  
ATOM     37 2HE2 GLN A   3       7.324  -2.878  -2.594  1.00  2.880          H  
ATOM     38  N   PHE A   4       4.947   3.657  -3.257  1.00  1.120          N  
ATOM     39  CA  PHE A   4       4.913   4.800  -4.149  1.00  1.490          C  
ATOM     40  C   PHE A   4       5.634   5.992  -3.533  1.00  1.120          C  
ATOM     41  O   PHE A   4       5.974   6.952  -4.223  1.00  1.530          O  
ATOM     42  CB  PHE A   4       3.469   5.160  -4.456  1.00  1.940          C  
ATOM     43  CG  PHE A   4       2.796   4.116  -5.278  1.00  1.940          C  
ATOM     44  CD1 PHE A   4       1.936   3.205  -4.680  1.00  1.940          C  
ATOM     45  CD2 PHE A   4       3.021   4.022  -6.642  1.00  1.940          C  
ATOM     46  CE1 PHE A   4       1.319   2.228  -5.425  1.00  1.940          C  
ATOM     47  CE2 PHE A   4       2.402   3.043  -7.390  1.00  1.940          C  
ATOM     48  CZ  PHE A   4       1.551   2.145  -6.780  1.00  1.940          C  
ATOM     49  H   PHE A   4       4.092   3.327  -2.831  1.00  1.340          H  
ATOM     50  HA  PHE A   4       5.421   4.531  -5.076  1.00  1.790          H  
ATOM     51 1HB  PHE A   4       2.914   5.284  -3.525  1.00  2.330          H  
ATOM     52 2HB  PHE A   4       3.431   6.106  -4.995  1.00  2.330          H  
ATOM     53  HD1 PHE A   4       1.747   3.267  -3.607  1.00  2.330          H  
ATOM     54  HD2 PHE A   4       3.697   4.730  -7.125  1.00  2.330          H  
ATOM     55  HE1 PHE A   4       0.646   1.522  -4.946  1.00  2.330          H  
ATOM     56  HE2 PHE A   4       2.585   2.977  -8.464  1.00  2.330          H  
ATOM     57  HZ  PHE A   4       1.062   1.371  -7.370  1.00  2.330          H  
ATOM     58  N   ALA A   5       5.839   5.946  -2.215  1.00  0.740          N  
ATOM     59  CA  ALA A   5       6.519   6.997  -1.487  1.00  0.850          C  
ATOM     60  C   ALA A   5       8.041   6.820  -1.522  1.00  0.710          C  
ATOM     61  O   ALA A   5       8.762   7.629  -0.931  1.00  0.860          O  
ATOM     62  CB  ALA A   5       6.043   7.019  -0.043  1.00  1.150          C  
ATOM     63  H   ALA A   5       5.542   5.125  -1.679  1.00  0.890          H  
ATOM     64  HA  ALA A   5       6.278   7.948  -1.962  1.00  1.020          H  
ATOM     65 1HB  ALA A   5       6.533   7.818   0.502  1.00  1.380          H  
ATOM     66 2HB  ALA A   5       4.966   7.171  -0.018  1.00  1.380          H  
ATOM     67 3HB  ALA A   5       6.285   6.067   0.426  1.00  1.380          H  
ATOM     68  N   THR A   6       8.536   5.740  -2.145  1.00  0.720          N  
ATOM     69  CA  THR A   6       9.974   5.458  -2.148  1.00  0.710          C  
ATOM     70  C   THR A   6      10.628   5.578  -3.531  1.00  0.810          C  
ATOM     71  O   THR A   6      10.151   5.021  -4.522  1.00  1.090          O  
ATOM     72  CB  THR A   6      10.216   4.033  -1.581  1.00  1.000          C  
ATOM     73  OG1 THR A   6       9.719   3.968  -0.243  1.00  1.000          O  
ATOM     74  CG2 THR A   6      11.691   3.682  -1.560  1.00  1.000          C  
ATOM     75  H   THR A   6       7.919   5.082  -2.634  1.00  0.860          H  
ATOM     76  HA  THR A   6      10.467   6.172  -1.493  1.00  0.850          H  
ATOM     77  HB  THR A   6       9.678   3.308  -2.195  1.00  1.200          H  
ATOM     78  HG1 THR A   6       8.767   4.070  -0.275  1.00  1.200          H  
ATOM     79 1HG2 THR A   6      11.811   2.682  -1.148  1.00  1.200          H  
ATOM     80 2HG2 THR A   6      12.097   3.702  -2.568  1.00  1.200          H  
ATOM     81 3HG2 THR A   6      12.227   4.397  -0.939  1.00  1.200          H  
ATOM     82  N   ASN A   7      11.742   6.305  -3.586  1.00  0.710          N  
ATOM     83  CA  ASN A   7      12.521   6.455  -4.808  1.00  0.870          C  
ATOM     84  C   ASN A   7      13.593   5.382  -4.856  1.00  0.760          C  
ATOM     85  O   ASN A   7      14.085   4.941  -3.812  1.00  0.640          O  
ATOM     86  CB  ASN A   7      13.155   7.823  -4.915  1.00  1.150          C  
ATOM     87  CG  ASN A   7      12.185   8.925  -5.176  1.00  1.150          C  
ATOM     88  OD1 ASN A   7      11.156   8.750  -5.836  1.00  1.150          O  
ATOM     89  ND2 ASN A   7      12.512  10.076  -4.701  1.00  1.150          N  
ATOM     90  H   ASN A   7      12.077   6.722  -2.722  1.00  0.850          H  
ATOM     91  HA  ASN A   7      11.866   6.303  -5.666  1.00  1.040          H  
ATOM     92 1HB  ASN A   7      13.658   8.032  -3.973  1.00  1.380          H  
ATOM     93 2HB  ASN A   7      13.916   7.819  -5.697  1.00  1.380          H  
ATOM     94 1HD2 ASN A   7      11.927  10.878  -4.858  1.00  1.380          H  
ATOM     95 2HD2 ASN A   7      13.361  10.169  -4.176  1.00  1.380          H  
ATOM     96  N   ARG A   8      14.000   4.998  -6.063  1.00  0.890          N  
ATOM     97  CA  ARG A   8      15.061   4.012  -6.233  1.00  0.850          C  
ATOM     98  C   ARG A   8      16.053   4.471  -7.289  1.00  0.860          C  
ATOM     99  O   ARG A   8      15.648   4.843  -8.394  1.00  1.040          O  
ATOM    100  CB  ARG A   8      14.450   2.688  -6.672  1.00  1.210          C  
ATOM    101  CG  ARG A   8      15.378   1.474  -6.737  1.00  1.210          C  
ATOM    102  CD  ARG A   8      14.627   0.286  -7.258  1.00  1.210          C  
ATOM    103  NE  ARG A   8      15.423  -0.946  -7.252  1.00  1.210          N  
ATOM    104  CZ  ARG A   8      15.405  -1.894  -6.295  1.00  1.210          C  
ATOM    105  NH1 ARG A   8      14.617  -1.806  -5.233  1.00  1.210          N  
ATOM    106  NH2 ARG A   8      16.201  -2.925  -6.461  1.00  1.210          N  
ATOM    107  H   ARG A   8      13.559   5.395  -6.883  1.00  1.070          H  
ATOM    108  HA  ARG A   8      15.587   3.883  -5.289  1.00  1.020          H  
ATOM    109 1HB  ARG A   8      13.636   2.435  -5.992  1.00  1.450          H  
ATOM    110 2HB  ARG A   8      14.017   2.811  -7.661  1.00  1.450          H  
ATOM    111 1HG  ARG A   8      16.206   1.675  -7.419  1.00  1.450          H  
ATOM    112 2HG  ARG A   8      15.775   1.242  -5.750  1.00  1.450          H  
ATOM    113 1HD  ARG A   8      13.729   0.132  -6.671  1.00  1.450          H  
ATOM    114 2HD  ARG A   8      14.341   0.491  -8.291  1.00  1.450          H  
ATOM    115  HE  ARG A   8      16.085  -1.116  -8.033  1.00  1.450          H  
ATOM    116 1HH1 ARG A   8      13.998  -1.021  -5.124  1.00  1.450          H  
ATOM    117 2HH1 ARG A   8      14.626  -2.537  -4.536  1.00  1.450          H  
ATOM    118 1HH2 ARG A   8      16.801  -2.939  -7.309  1.00  1.450          H  
ATOM    119 2HH2 ARG A   8      16.235  -3.671  -5.785  1.00  1.450          H  
ATOM    120  N   THR A   9      17.345   4.434  -6.963  1.00  0.750          N  
ATOM    121  CA  THR A   9      18.376   4.820  -7.925  1.00  0.880          C  
ATOM    122  C   THR A   9      19.503   3.793  -7.965  1.00  0.770          C  
ATOM    123  O   THR A   9      19.767   3.105  -6.977  1.00  0.690          O  
ATOM    124  CB  THR A   9      18.951   6.217  -7.600  1.00  1.180          C  
ATOM    125  OG1 THR A   9      19.600   6.192  -6.320  1.00  1.180          O  
ATOM    126  CG2 THR A   9      17.821   7.254  -7.564  1.00  1.180          C  
ATOM    127  H   THR A   9      17.608   4.121  -6.022  1.00  0.900          H  
ATOM    128  HA  THR A   9      17.928   4.859  -8.918  1.00  1.060          H  
ATOM    129  HB  THR A   9      19.676   6.500  -8.363  1.00  1.420          H  
ATOM    130  HG1 THR A   9      20.429   5.701  -6.387  1.00  1.420          H  
ATOM    131 1HG2 THR A   9      18.232   8.235  -7.340  1.00  1.420          H  
ATOM    132 2HG2 THR A   9      17.325   7.283  -8.533  1.00  1.420          H  
ATOM    133 3HG2 THR A   9      17.097   6.996  -6.802  1.00  1.420          H  
ATOM    134  N   LYS A  10      20.215   3.725  -9.088  1.00  0.860          N  
ATOM    135  CA  LYS A  10      21.331   2.787  -9.211  1.00  0.830          C  
ATOM    136  C   LYS A  10      22.689   3.437  -8.992  1.00  0.930          C  
ATOM    137  O   LYS A  10      23.028   4.416  -9.662  1.00  1.210          O  
ATOM    138  CB  LYS A  10      21.293   2.121 -10.585  1.00  1.170          C  
ATOM    139  CG  LYS A  10      22.267   0.947 -10.751  1.00  1.170          C  
ATOM    140  CD  LYS A  10      22.193   0.286 -12.157  1.00  1.170          C  
ATOM    141  CE  LYS A  10      20.816  -0.379 -12.473  1.00  1.170          C  
ATOM    142  NZ  LYS A  10      20.460  -1.479 -11.524  1.00  1.170          N  
ATOM    143  H   LYS A  10      19.969   4.315  -9.871  1.00  1.030          H  
ATOM    144  HA  LYS A  10      21.217   2.008  -8.457  1.00  1.000          H  
ATOM    145 1HB  LYS A  10      20.286   1.755 -10.744  1.00  1.410          H  
ATOM    146 2HB  LYS A  10      21.507   2.857 -11.359  1.00  1.410          H  
ATOM    147 1HG  LYS A  10      23.287   1.308 -10.604  1.00  1.410          H  
ATOM    148 2HG  LYS A  10      22.058   0.203  -9.979  1.00  1.410          H  
ATOM    149 1HD  LYS A  10      22.394   1.046 -12.913  1.00  1.410          H  
ATOM    150 2HD  LYS A  10      22.967  -0.477 -12.227  1.00  1.410          H  
ATOM    151 1HE  LYS A  10      20.032   0.368 -12.459  1.00  1.410          H  
ATOM    152 2HE  LYS A  10      20.872  -0.798 -13.476  1.00  1.410          H  
ATOM    153 1HZ  LYS A  10      19.574  -1.880 -11.784  1.00  1.410          H  
ATOM    154 2HZ  LYS A  10      21.164  -2.195 -11.537  1.00  1.410          H  
ATOM    155 3HZ  LYS A  10      20.372  -1.108 -10.562  1.00  1.410          H  
ATOM    156  N   THR A  11      23.485   2.862  -8.093  1.00  0.860          N  
ATOM    157  CA  THR A  11      24.821   3.353  -7.823  1.00  1.170          C  
ATOM    158  C   THR A  11      25.837   2.459  -8.520  1.00  1.300          C  
ATOM    159  O   THR A  11      26.185   1.362  -8.046  1.00  1.120          O  
ATOM    160  CB  THR A  11      25.080   3.409  -6.295  1.00  1.510          C  
ATOM    161  OG1 THR A  11      24.139   4.317  -5.698  1.00  1.510          O  
ATOM    162  CG2 THR A  11      26.506   3.871  -5.985  1.00  1.510          C  
ATOM    163  H   THR A  11      23.141   2.061  -7.555  1.00  1.030          H  
ATOM    164  HA  THR A  11      24.913   4.361  -8.225  1.00  1.400          H  
ATOM    165  HB  THR A  11      24.923   2.414  -5.871  1.00  1.820          H  
ATOM    166  HG1 THR A  11      24.113   4.200  -4.719  1.00  1.820          H  
ATOM    167 1HG2 THR A  11      26.643   3.897  -4.904  1.00  1.820          H  
ATOM    168 2HG2 THR A  11      27.220   3.183  -6.415  1.00  1.820          H  
ATOM    169 3HG2 THR A  11      26.667   4.865  -6.395  1.00  1.820          H  
ATOM    170  N   LYS A  12      26.354   2.968  -9.643  1.00  1.720          N  
ATOM    171  CA  LYS A  12      27.288   2.234 -10.496  1.00  2.010          C  
ATOM    172  C   LYS A  12      28.569   1.906  -9.760  1.00  2.130          C  
ATOM    173  O   LYS A  12      29.156   0.841  -9.950  1.00  2.260          O  
ATOM    174  CB  LYS A  12      27.593   3.023 -11.765  1.00  2.700          C  
ATOM    175  CG  LYS A  12      26.422   3.099 -12.741  1.00  2.700          C  
ATOM    176  CD  LYS A  12      26.784   3.907 -13.987  1.00  2.700          C  
ATOM    177  CE  LYS A  12      25.614   3.980 -14.967  1.00  2.700          C  
ATOM    178  NZ  LYS A  12      25.944   4.798 -16.173  1.00  2.700          N  
ATOM    179  H   LYS A  12      26.040   3.887  -9.934  1.00  2.060          H  
ATOM    180  HA  LYS A  12      26.821   1.292 -10.786  1.00  2.410          H  
ATOM    181 1HB  LYS A  12      27.886   4.039 -11.502  1.00  3.240          H  
ATOM    182 2HB  LYS A  12      28.436   2.563 -12.282  1.00  3.240          H  
ATOM    183 1HG  LYS A  12      26.140   2.089 -13.038  1.00  3.240          H  
ATOM    184 2HG  LYS A  12      25.567   3.560 -12.245  1.00  3.240          H  
ATOM    185 1HD  LYS A  12      27.068   4.919 -13.697  1.00  3.240          H  
ATOM    186 2HD  LYS A  12      27.633   3.440 -14.487  1.00  3.240          H  
ATOM    187 1HE  LYS A  12      25.352   2.972 -15.284  1.00  3.240          H  
ATOM    188 2HE  LYS A  12      24.756   4.425 -14.463  1.00  3.240          H  
ATOM    189 1HZ  LYS A  12      25.146   4.821 -16.793  1.00  3.240          H  
ATOM    190 2HZ  LYS A  12      26.177   5.740 -15.891  1.00  3.240          H  
ATOM    191 3HZ  LYS A  12      26.731   4.388 -16.656  1.00  3.240          H  
ATOM    192  N   CYS A  13      28.966   2.816  -8.879  1.00  2.200          N  
ATOM    193  CA  CYS A  13      30.177   2.689  -8.091  1.00  2.460          C  
ATOM    194  C   CYS A  13      30.175   1.512  -7.118  1.00  2.110          C  
ATOM    195  O   CYS A  13      31.247   1.107  -6.663  1.00  2.310          O  
ATOM    196  CB  CYS A  13      30.402   3.965  -7.289  1.00  3.340          C  
ATOM    197  SG  CYS A  13      30.709   5.408  -8.313  1.00  3.340          S  
ATOM    198  H   CYS A  13      28.435   3.673  -8.822  1.00  2.640          H  
ATOM    199  HA  CYS A  13      31.011   2.560  -8.780  1.00  2.950          H  
ATOM    200 1HB  CYS A  13      29.536   4.165  -6.664  1.00  4.010          H  
ATOM    201 2HB  CYS A  13      31.258   3.829  -6.628  1.00  4.010          H  
ATOM    202  HG  CYS A  13      31.771   4.903  -8.936  1.00  4.010          H  
ATOM    203  N   THR A  14      28.999   0.982  -6.755  1.00  1.620          N  
ATOM    204  CA  THR A  14      28.963  -0.145  -5.836  1.00  1.390          C  
ATOM    205  C   THR A  14      28.243  -1.352  -6.447  1.00  1.060          C  
ATOM    206  O   THR A  14      28.468  -2.487  -6.013  1.00  1.050          O  
ATOM    207  CB  THR A  14      28.298   0.238  -4.501  1.00  2.040          C  
ATOM    208  OG1 THR A  14      26.937   0.622  -4.729  1.00  2.040          O  
ATOM    209  CG2 THR A  14      29.036   1.404  -3.869  1.00  2.040          C  
ATOM    210  H   THR A  14      28.114   1.320  -7.128  1.00  1.940          H  
ATOM    211  HA  THR A  14      29.985  -0.450  -5.623  1.00  1.670          H  
ATOM    212  HB  THR A  14      28.327  -0.615  -3.829  1.00  2.450          H  
ATOM    213  HG1 THR A  14      26.454   0.579  -3.894  1.00  2.450          H  
ATOM    214 1HG2 THR A  14      28.561   1.662  -2.924  1.00  2.450          H  
ATOM    215 2HG2 THR A  14      30.073   1.120  -3.690  1.00  2.450          H  
ATOM    216 3HG2 THR A  14      29.007   2.264  -4.530  1.00  2.450          H  
ATOM    217  N   GLY A  15      27.439  -1.138  -7.502  1.00  1.030          N  
ATOM    218  CA  GLY A  15      26.670  -2.215  -8.120  1.00  1.100          C  
ATOM    219  C   GLY A  15      25.351  -2.511  -7.402  1.00  1.000          C  
ATOM    220  O   GLY A  15      24.859  -3.641  -7.439  1.00  1.430          O  
ATOM    221  H   GLY A  15      27.280  -0.190  -7.832  1.00  1.240          H  
ATOM    222 1HA  GLY A  15      26.462  -1.942  -9.154  1.00  1.320          H  
ATOM    223 2HA  GLY A  15      27.278  -3.117  -8.148  1.00  1.320          H  
ATOM    224  N   PHE A  16      24.807  -1.503  -6.712  1.00  0.720          N  
ATOM    225  CA  PHE A  16      23.562  -1.682  -5.951  1.00  0.920          C  
ATOM    226  C   PHE A  16      22.497  -0.632  -6.205  1.00  0.730          C  
ATOM    227  O   PHE A  16      22.793   0.524  -6.513  1.00  0.530          O  
ATOM    228  CB  PHE A  16      23.828  -1.701  -4.443  1.00  1.210          C  
ATOM    229  CG  PHE A  16      24.638  -2.858  -3.965  1.00  1.210          C  
ATOM    230  CD1 PHE A  16      26.000  -2.796  -3.954  1.00  1.210          C  
ATOM    231  CD2 PHE A  16      24.022  -4.013  -3.509  1.00  1.210          C  
ATOM    232  CE1 PHE A  16      26.757  -3.847  -3.516  1.00  1.210          C  
ATOM    233  CE2 PHE A  16      24.773  -5.079  -3.061  1.00  1.210          C  
ATOM    234  CZ  PHE A  16      26.148  -4.993  -3.067  1.00  1.210          C  
ATOM    235  H   PHE A  16      25.248  -0.581  -6.797  1.00  0.860          H  
ATOM    236  HA  PHE A  16      23.140  -2.648  -6.228  1.00  1.100          H  
ATOM    237 1HB  PHE A  16      24.351  -0.789  -4.168  1.00  1.450          H  
ATOM    238 2HB  PHE A  16      22.878  -1.701  -3.907  1.00  1.450          H  
ATOM    239  HD1 PHE A  16      26.477  -1.905  -4.313  1.00  1.450          H  
ATOM    240  HD2 PHE A  16      22.932  -4.074  -3.507  1.00  1.450          H  
ATOM    241  HE1 PHE A  16      27.845  -3.767  -3.533  1.00  1.450          H  
ATOM    242  HE2 PHE A  16      24.282  -5.986  -2.706  1.00  1.450          H  
ATOM    243  HZ  PHE A  16      26.750  -5.830  -2.719  1.00  1.450          H  
ATOM    244  N   ASP A  17      21.245  -1.040  -6.023  1.00  0.970          N  
ATOM    245  CA  ASP A  17      20.125  -0.114  -6.083  1.00  0.840          C  
ATOM    246  C   ASP A  17      19.814   0.384  -4.680  1.00  0.870          C  
ATOM    247  O   ASP A  17      19.586  -0.419  -3.770  1.00  1.160          O  
ATOM    248  CB  ASP A  17      18.876  -0.746  -6.664  1.00  1.230          C  
ATOM    249  CG  ASP A  17      18.956  -1.117  -8.177  1.00  1.230          C  
ATOM    250  OD1 ASP A  17      19.877  -0.700  -8.866  1.00  1.230          O  
ATOM    251  OD2 ASP A  17      18.045  -1.799  -8.634  1.00  1.230          O  
ATOM    252  H   ASP A  17      21.068  -2.013  -5.813  1.00  1.160          H  
ATOM    253  HA  ASP A  17      20.401   0.740  -6.693  1.00  1.010          H  
ATOM    254 1HB  ASP A  17      18.645  -1.638  -6.094  1.00  1.470          H  
ATOM    255 2HB  ASP A  17      18.055  -0.049  -6.524  1.00  1.470          H  
ATOM    256  N   GLU A  18      19.873   1.689  -4.489  1.00  0.750          N  
ATOM    257  CA  GLU A  18      19.621   2.282  -3.186  1.00  0.930          C  
ATOM    258  C   GLU A  18      18.234   2.901  -3.168  1.00  0.800          C  
ATOM    259  O   GLU A  18      17.733   3.364  -4.199  1.00  0.690          O  
ATOM    260  CB  GLU A  18      20.688   3.326  -2.828  1.00  1.230          C  
ATOM    261  CG  GLU A  18      22.116   2.752  -2.672  1.00  1.230          C  
ATOM    262  CD  GLU A  18      23.134   3.775  -2.169  1.00  1.230          C  
ATOM    263  OE1 GLU A  18      23.156   4.004  -0.982  1.00  1.230          O  
ATOM    264  OE2 GLU A  18      23.882   4.313  -2.959  1.00  1.230          O  
ATOM    265  H   GLU A  18      20.049   2.286  -5.301  1.00  0.900          H  
ATOM    266  HA  GLU A  18      19.652   1.498  -2.430  1.00  1.120          H  
ATOM    267 1HB  GLU A  18      20.716   4.095  -3.602  1.00  1.480          H  
ATOM    268 2HB  GLU A  18      20.413   3.810  -1.894  1.00  1.480          H  
ATOM    269 1HG  GLU A  18      22.082   1.913  -1.980  1.00  1.480          H  
ATOM    270 2HG  GLU A  18      22.442   2.369  -3.645  1.00  1.480          H  
ATOM    271  N   THR A  19      17.610   2.933  -1.994  1.00  0.890          N  
ATOM    272  CA  THR A  19      16.292   3.537  -1.881  1.00  0.810          C  
ATOM    273  C   THR A  19      16.205   4.598  -0.802  1.00  0.790          C  
ATOM    274  O   THR A  19      16.935   4.559   0.191  1.00  0.980          O  
ATOM    275  CB  THR A  19      15.245   2.455  -1.590  1.00  1.170          C  
ATOM    276  OG1 THR A  19      15.573   1.798  -0.352  1.00  1.170          O  
ATOM    277  CG2 THR A  19      15.195   1.442  -2.726  1.00  1.170          C  
ATOM    278  H   THR A  19      18.041   2.528  -1.174  1.00  1.070          H  
ATOM    279  HA  THR A  19      16.051   4.013  -2.826  1.00  0.970          H  
ATOM    280  HB  THR A  19      14.288   2.920  -1.492  1.00  1.400          H  
ATOM    281  HG1 THR A  19      15.480   2.421   0.379  1.00  1.400          H  
ATOM    282 1HG2 THR A  19      14.440   0.691  -2.510  1.00  1.400          H  
ATOM    283 2HG2 THR A  19      14.939   1.965  -3.640  1.00  1.400          H  
ATOM    284 3HG2 THR A  19      16.160   0.954  -2.842  1.00  1.400          H  
ATOM    285  N   TYR A  20      15.251   5.512  -0.983  1.00  0.620          N  
ATOM    286  CA  TYR A  20      14.987   6.586  -0.019  1.00  0.620          C  
ATOM    287  C   TYR A  20      13.567   7.146  -0.135  1.00  0.570          C  
ATOM    288  O   TYR A  20      12.914   6.991  -1.165  1.00  0.550          O  
ATOM    289  CB  TYR A  20      16.071   7.659  -0.194  1.00  0.870          C  
ATOM    290  CG  TYR A  20      16.190   8.252  -1.609  1.00  0.870          C  
ATOM    291  CD1 TYR A  20      15.591   9.455  -1.948  1.00  0.870          C  
ATOM    292  CD2 TYR A  20      16.915   7.552  -2.580  1.00  0.870          C  
ATOM    293  CE1 TYR A  20      15.738   9.956  -3.230  1.00  0.870          C  
ATOM    294  CE2 TYR A  20      17.037   8.042  -3.840  1.00  0.870          C  
ATOM    295  CZ  TYR A  20      16.468   9.239  -4.179  1.00  0.870          C  
ATOM    296  OH  TYR A  20      16.643   9.697  -5.468  1.00  0.870          O  
ATOM    297  H   TYR A  20      14.731   5.459  -1.867  1.00  0.740          H  
ATOM    298  HA  TYR A  20      15.086   6.176   0.986  1.00  0.740          H  
ATOM    299 1HB  TYR A  20      15.875   8.482   0.498  1.00  1.040          H  
ATOM    300 2HB  TYR A  20      17.034   7.244   0.082  1.00  1.040          H  
ATOM    301  HD1 TYR A  20      15.020  10.019  -1.203  1.00  1.040          H  
ATOM    302  HD2 TYR A  20      17.394   6.609  -2.337  1.00  1.040          H  
ATOM    303  HE1 TYR A  20      15.289  10.897  -3.484  1.00  1.040          H  
ATOM    304  HE2 TYR A  20      17.608   7.483  -4.579  1.00  1.040          H  
ATOM    305  HH  TYR A  20      16.495  10.671  -5.537  1.00  1.040          H  
ATOM    306  N   ASN A  21      13.079   7.822   0.905  1.00  0.630          N  
ATOM    307  CA  ASN A  21      11.741   8.412   0.835  1.00  0.640          C  
ATOM    308  C   ASN A  21      11.724   9.570  -0.144  1.00  0.590          C  
ATOM    309  O   ASN A  21      12.677  10.337  -0.217  1.00  0.600          O  
ATOM    310  CB  ASN A  21      11.247   8.843   2.199  1.00  0.890          C  
ATOM    311  CG  ASN A  21       9.789   9.189   2.207  1.00  0.890          C  
ATOM    312  OD1 ASN A  21       9.384  10.272   1.754  1.00  0.890          O  
ATOM    313  ND2 ASN A  21       8.980   8.287   2.728  1.00  0.890          N  
ATOM    314  H   ASN A  21      13.634   7.967   1.763  1.00  0.760          H  
ATOM    315  HA  ASN A  21      11.047   7.659   0.454  1.00  0.770          H  
ATOM    316 1HB  ASN A  21      11.432   8.050   2.923  1.00  1.070          H  
ATOM    317 2HB  ASN A  21      11.797   9.702   2.516  1.00  1.070          H  
ATOM    318 1HD2 ASN A  21       7.994   8.461   2.773  1.00  1.070          H  
ATOM    319 2HD2 ASN A  21       9.350   7.428   3.089  1.00  1.070          H  
ATOM    320  N   TRP A  22      10.620   9.764  -0.854  1.00  0.620          N  
ATOM    321  CA  TRP A  22      10.503  10.891  -1.782  1.00  0.640          C  
ATOM    322  C   TRP A  22      10.882  12.252  -1.176  1.00  0.680          C  
ATOM    323  O   TRP A  22      11.251  13.156  -1.921  1.00  0.790          O  
ATOM    324  CB  TRP A  22       9.079  11.020  -2.338  1.00  0.890          C  
ATOM    325  CG  TRP A  22       8.065  11.483  -1.319  1.00  0.890          C  
ATOM    326  CD1 TRP A  22       7.304  10.701  -0.530  1.00  0.890          C  
ATOM    327  CD2 TRP A  22       7.707  12.854  -0.981  1.00  0.890          C  
ATOM    328  NE1 TRP A  22       6.508  11.468   0.278  1.00  0.890          N  
ATOM    329  CE2 TRP A  22       6.747  12.784   0.019  1.00  0.890          C  
ATOM    330  CE3 TRP A  22       8.128  14.113  -1.438  1.00  0.890          C  
ATOM    331  CZ2 TRP A  22       6.196  13.915   0.584  1.00  0.890          C  
ATOM    332  CZ3 TRP A  22       7.580  15.243  -0.869  1.00  0.890          C  
ATOM    333  CH2 TRP A  22       6.640  15.148   0.117  1.00  0.890          C  
ATOM    334  H   TRP A  22       9.856   9.091  -0.774  1.00  0.740          H  
ATOM    335  HA  TRP A  22      11.174  10.704  -2.605  1.00  0.770          H  
ATOM    336 1HB  TRP A  22       9.074  11.719  -3.170  1.00  1.070          H  
ATOM    337 2HB  TRP A  22       8.754  10.049  -2.720  1.00  1.070          H  
ATOM    338  HD1 TRP A  22       7.331   9.634  -0.532  1.00  1.070          H  
ATOM    339  HE1 TRP A  22       5.857  11.114   0.960  1.00  1.070          H  
ATOM    340  HE3 TRP A  22       8.881  14.197  -2.221  1.00  1.070          H  
ATOM    341  HZ2 TRP A  22       5.443  13.860   1.370  1.00  1.070          H  
ATOM    342  HZ3 TRP A  22       7.919  16.214  -1.227  1.00  1.070          H  
ATOM    343  HH2 TRP A  22       6.226  16.061   0.544  1.00  1.070          H  
ATOM    344  N   LYS A  23      10.741  12.429   0.146  1.00  0.680          N  
ATOM    345  CA  LYS A  23      11.050  13.712   0.783  1.00  0.780          C  
ATOM    346  C   LYS A  23      12.532  13.852   1.173  1.00  0.790          C  
ATOM    347  O   LYS A  23      12.948  14.896   1.683  1.00  0.930          O  
ATOM    348  CB  LYS A  23      10.180  13.922   2.027  1.00  1.050          C  
ATOM    349  CG  LYS A  23      10.543  13.051   3.225  1.00  1.050          C  
ATOM    350  CD  LYS A  23       9.552  13.233   4.365  1.00  1.050          C  
ATOM    351  CE  LYS A  23       9.902  12.341   5.555  1.00  1.050          C  
ATOM    352  NZ  LYS A  23       8.923  12.490   6.673  1.00  1.050          N  
ATOM    353  H   LYS A  23      10.395  11.649   0.712  1.00  0.820          H  
ATOM    354  HA  LYS A  23      10.821  14.504   0.072  1.00  0.940          H  
ATOM    355 1HB  LYS A  23      10.233  14.965   2.335  1.00  1.260          H  
ATOM    356 2HB  LYS A  23       9.143  13.709   1.772  1.00  1.260          H  
ATOM    357 1HG  LYS A  23      10.594  12.020   2.940  1.00  1.260          H  
ATOM    358 2HG  LYS A  23      11.529  13.345   3.589  1.00  1.260          H  
ATOM    359 1HD  LYS A  23       9.550  14.274   4.684  1.00  1.260          H  
ATOM    360 2HD  LYS A  23       8.553  12.974   4.009  1.00  1.260          H  
ATOM    361 1HE  LYS A  23       9.911  11.300   5.227  1.00  1.260          H  
ATOM    362 2HE  LYS A  23      10.896  12.605   5.917  1.00  1.260          H  
ATOM    363 1HZ  LYS A  23       9.189  11.885   7.438  1.00  1.260          H  
ATOM    364 2HZ  LYS A  23       8.915  13.450   6.992  1.00  1.260          H  
ATOM    365 3HZ  LYS A  23       8.000  12.236   6.350  1.00  1.260          H  
ATOM    366  N   GLU A  24      13.302  12.783   1.010  1.00  0.710          N  
ATOM    367  CA  GLU A  24      14.704  12.724   1.395  1.00  0.760          C  
ATOM    368  C   GLU A  24      15.603  12.985   0.197  1.00  0.740          C  
ATOM    369  O   GLU A  24      15.240  12.699  -0.934  1.00  0.720          O  
ATOM    370  CB  GLU A  24      15.033  11.349   2.019  1.00  1.040          C  
ATOM    371  CG  GLU A  24      14.323  11.064   3.362  1.00  1.040          C  
ATOM    372  CD  GLU A  24      14.642   9.668   3.986  1.00  1.040          C  
ATOM    373  OE1 GLU A  24      14.326   8.625   3.400  1.00  1.040          O  
ATOM    374  OE2 GLU A  24      15.195   9.668   5.064  1.00  1.040          O  
ATOM    375  H   GLU A  24      12.904  11.971   0.543  1.00  0.850          H  
ATOM    376  HA  GLU A  24      14.893  13.497   2.140  1.00  0.910          H  
ATOM    377 1HB  GLU A  24      14.747  10.562   1.324  1.00  1.250          H  
ATOM    378 2HB  GLU A  24      16.109  11.264   2.179  1.00  1.250          H  
ATOM    379 1HG  GLU A  24      14.636  11.829   4.070  1.00  1.250          H  
ATOM    380 2HG  GLU A  24      13.260  11.178   3.224  1.00  1.250          H  
ATOM    381  N   ASN A  25      16.793  13.526   0.444  1.00  0.850          N  
ATOM    382  CA  ASN A  25      17.755  13.705  -0.639  1.00  0.920          C  
ATOM    383  C   ASN A  25      19.043  12.948  -0.330  1.00  1.040          C  
ATOM    384  O   ASN A  25      20.125  13.306  -0.803  1.00  1.110          O  
ATOM    385  CB  ASN A  25      18.000  15.171  -0.903  1.00  1.260          C  
ATOM    386  CG  ASN A  25      16.748  15.885  -1.433  1.00  1.260          C  
ATOM    387  OD1 ASN A  25      16.247  15.689  -2.563  1.00  1.260          O  
ATOM    388  ND2 ASN A  25      16.221  16.747  -0.598  1.00  1.260          N  
ATOM    389  H   ASN A  25      17.041  13.792   1.386  1.00  1.020          H  
ATOM    390  HA  ASN A  25      17.335  13.274  -1.544  1.00  1.100          H  
ATOM    391 1HB  ASN A  25      18.326  15.658   0.015  1.00  1.510          H  
ATOM    392 2HB  ASN A  25      18.803  15.276  -1.632  1.00  1.510          H  
ATOM    393 1HD2 ASN A  25      15.401  17.258  -0.857  1.00  1.510          H  
ATOM    394 2HD2 ASN A  25      16.634  16.894   0.300  1.00  1.510          H  
ATOM    395  N   VAL A  26      18.913  11.937   0.521  1.00  1.150          N  
ATOM    396  CA  VAL A  26      20.007  11.080   0.940  1.00  1.390          C  
ATOM    397  C   VAL A  26      19.626   9.609   0.741  1.00  1.550          C  
ATOM    398  O   VAL A  26      18.587   9.197   1.241  1.00  1.630          O  
ATOM    399  CB  VAL A  26      20.353  11.330   2.421  1.00  1.850          C  
ATOM    400  CG1 VAL A  26      21.477  10.395   2.873  1.00  1.850          C  
ATOM    401  CG2 VAL A  26      20.780  12.776   2.588  1.00  1.850          C  
ATOM    402  H   VAL A  26      17.977  11.734   0.852  1.00  1.380          H  
ATOM    403  HA  VAL A  26      20.879  11.341   0.357  1.00  1.670          H  
ATOM    404  HB  VAL A  26      19.478  11.125   3.041  1.00  2.220          H  
ATOM    405 1HG1 VAL A  26      21.705  10.590   3.920  1.00  2.220          H  
ATOM    406 2HG1 VAL A  26      21.176   9.353   2.768  1.00  2.220          H  
ATOM    407 3HG1 VAL A  26      22.365  10.579   2.272  1.00  2.220          H  
ATOM    408 1HG2 VAL A  26      21.026  12.962   3.632  1.00  2.220          H  
ATOM    409 2HG2 VAL A  26      21.655  12.967   1.966  1.00  2.220          H  
ATOM    410 3HG2 VAL A  26      19.979  13.441   2.290  1.00  2.220          H  
ATOM    411  N   PRO A  27      20.475   8.787   0.092  1.00  1.720          N  
ATOM    412  CA  PRO A  27      21.773   9.033  -0.547  1.00  1.760          C  
ATOM    413  C   PRO A  27      21.800  10.035  -1.699  1.00  1.550          C  
ATOM    414  O   PRO A  27      22.851  10.607  -1.983  1.00  1.580          O  
ATOM    415  CB  PRO A  27      22.130   7.636  -1.077  1.00  2.640          C  
ATOM    416  CG  PRO A  27      21.348   6.685  -0.216  1.00  2.640          C  
ATOM    417  CD  PRO A  27      20.059   7.390   0.048  1.00  2.640          C  
ATOM    418  HA  PRO A  27      22.498   9.331   0.222  1.00  2.110          H  
ATOM    419 1HB  PRO A  27      21.866   7.551  -2.144  1.00  3.170          H  
ATOM    420 2HB  PRO A  27      23.215   7.461  -1.007  1.00  3.170          H  
ATOM    421 1HG  PRO A  27      21.213   5.735  -0.745  1.00  3.170          H  
ATOM    422 2HG  PRO A  27      21.912   6.447   0.697  1.00  3.170          H  
ATOM    423 1HD  PRO A  27      19.358   7.228  -0.780  1.00  3.170          H  
ATOM    424 2HD  PRO A  27      19.630   7.076   1.014  1.00  3.170          H  
ATOM    425  N   THR A  28      20.670  10.255  -2.362  1.00  1.440          N  
ATOM    426  CA  THR A  28      20.666  11.218  -3.453  1.00  1.370          C  
ATOM    427  C   THR A  28      19.367  11.976  -3.615  1.00  1.180          C  
ATOM    428  O   THR A  28      18.357  11.680  -2.988  1.00  1.130          O  
ATOM    429  CB  THR A  28      21.056  10.593  -4.791  1.00  1.950          C  
ATOM    430  OG1 THR A  28      21.268  11.660  -5.737  1.00  1.950          O  
ATOM    431  CG2 THR A  28      19.977   9.672  -5.286  1.00  1.950          C  
ATOM    432  H   THR A  28      19.816   9.768  -2.133  1.00  1.730          H  
ATOM    433  HA  THR A  28      21.425  11.967  -3.228  1.00  1.640          H  
ATOM    434  HB  THR A  28      21.983  10.034  -4.668  1.00  2.340          H  
ATOM    435  HG1 THR A  28      21.643  11.292  -6.548  1.00  2.340          H  
ATOM    436 1HG2 THR A  28      20.277   9.241  -6.237  1.00  2.340          H  
ATOM    437 2HG2 THR A  28      19.822   8.874  -4.563  1.00  2.340          H  
ATOM    438 3HG2 THR A  28      19.057  10.220  -5.423  1.00  2.340          H  
ATOM    439  N   GLU A  29      19.408  12.936  -4.518  1.00  1.190          N  
ATOM    440  CA  GLU A  29      18.309  13.852  -4.799  1.00  1.150          C  
ATOM    441  C   GLU A  29      17.000  13.191  -5.224  1.00  1.180          C  
ATOM    442  O   GLU A  29      16.980  12.268  -6.044  1.00  1.310          O  
ATOM    443  CB  GLU A  29      18.754  14.856  -5.864  1.00  1.630          C  
ATOM    444  CG  GLU A  29      17.754  15.968  -6.166  1.00  1.630          C  
ATOM    445  CD  GLU A  29      18.292  16.969  -7.145  1.00  1.630          C  
ATOM    446  OE1 GLU A  29      19.393  16.786  -7.601  1.00  1.630          O  
ATOM    447  OE2 GLU A  29      17.611  17.924  -7.430  1.00  1.630          O  
ATOM    448  H   GLU A  29      20.285  13.023  -5.030  1.00  1.430          H  
ATOM    449  HA  GLU A  29      18.107  14.407  -3.888  1.00  1.380          H  
ATOM    450 1HB  GLU A  29      19.686  15.324  -5.548  1.00  1.950          H  
ATOM    451 2HB  GLU A  29      18.954  14.327  -6.794  1.00  1.950          H  
ATOM    452 1HG  GLU A  29      16.843  15.536  -6.585  1.00  1.950          H  
ATOM    453 2HG  GLU A  29      17.488  16.473  -5.236  1.00  1.950          H  
ATOM    454  N   ALA A  30      15.903  13.679  -4.654  1.00  1.170          N  
ATOM    455  CA  ALA A  30      14.565  13.198  -4.978  1.00  1.310          C  
ATOM    456  C   ALA A  30      13.995  13.944  -6.179  1.00  1.420          C  
ATOM    457  O   ALA A  30      13.532  13.324  -7.136  1.00  1.650          O  
ATOM    458  OXT ALA A  30      13.778  15.149  -6.082  1.00  1.970          O  
ATOM    459  CB  ALA A  30      13.639  13.368  -3.789  1.00  1.680          C  
ATOM    460  H   ALA A  30      16.011  14.426  -3.963  1.00  1.400          H  
ATOM    461  HA  ALA A  30      14.631  12.146  -5.241  1.00  1.570          H  
ATOM    462 1HB  ALA A  30      12.652  12.994  -4.040  1.00  2.020          H  
ATOM    463 2HB  ALA A  30      14.018  12.818  -2.947  1.00  2.020          H  
ATOM    464 3HB  ALA A  30      13.566  14.419  -3.522  1.00  2.020          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 -118.085 10.8274 103.122 -8.62185 1.81425 5.83151 51.7951 -53.1521 -0.22785 -1.85207 -47.5532 -9.92738 -5.84565 -8.18119 -8.70038 -6.75498 0 -0.83413 1.55202 13.2263 30.1681 -4.21761 14.72 -13.1533 -5.0922 11.0161 -48.1255
SER:NtermProteinFull_1 -2.09249 0.25971 2.11129 -0.03763 0 0.06011 1.41974 -0.96451 -0.01198 -0.10716 -1.13222 -1.27755 0 0 -0.81984 -0.67813 0 -0.01773 0.02643 0.73428 0 0 0.6265 -0.77834 0 0.14702 -2.53251
GLY_2 -1.63575 0.21528 1.91879 -6e-05 0 0 1.30749 -1.00411 -0.00865 -0.07615 -1.01586 -0.39548 0 0 0 0 0 -0.1073 0 0 0 0.26485 0 0.83697 -0.03125 0.24786 0.51665
GLN_3 -3.23589 0.42382 3.69019 -0.27968 0.0474 0.23555 2.05892 -1.70872 -0 -0 -1.36255 -0.44227 0 0 -0.81984 -0.67813 0 -0.09425 0.25709 0 3.09603 -0.16662 0 -0.18838 -0.26984 0.22937 0.79219
PHE_4 -2.38406 0.31245 2.26515 -0.65057 0.03968 0.34204 0.91777 -1.21406 -0.01198 -0.10716 0.0138 -0.01917 0 0 0 0 0 -0.02704 0.06209 0 2.32888 0.07619 0 1.0402 -0.33457 0.19377 2.84343
ALA_5 -3.53512 0.44314 3.35214 -0.02787 0.00517 0 2.50478 -1.95577 -0.01381 -0.05194 -2.65456 -0.43099 0 0 0 0 0 -0.02161 0 0 0 0.07974 0 1.8394 -0.40404 0.19441 -0.67692
THR_6 -4.03812 0.34632 3.23619 -0.17357 0.09072 0.06113 1.61703 -1.91543 -0.00865 -0.07615 -0.79824 -0.31493 0 0 0 0 0 0.03886 0.00205 0.17228 0 -0.18123 2.33914 -1.0874 -0.26775 0.28686 -0.6709
ASN_7 -5.31933 0.46633 4.50445 -0.16056 0.01546 0.22614 2.71512 -2.45626 -0.02591 -0.11795 -2.87193 -0.30824 0 0 0 0 0 -0.0084 0.05586 0 1.76268 0.09953 0 -0.93687 0.08662 0.26019 -2.01308
ARG_8 -4.01622 0.36475 3.1544 -0.6247 0.11622 0.37131 1.04151 -1.4891 -0 -0 -2.00022 0.27224 0 0 0 -1.1486 0 -0.0027 0.32063 2.903 0 -0.12856 0 -1.2888 0.06468 0.37015 -1.72
THR_9 -3.75626 0.27618 3.61642 -0.11342 0.05491 0.08422 2.26674 -1.86947 -0.01547 -0.22704 -2.29367 -0.53124 0 0 0 0 0 0.03199 6e-05 0.20832 0 -0.27729 2.2771 -1.0874 -0.16953 0.3491 -1.17575
LYS_10 -2.80184 0.11725 3.62461 -0.616 0.23171 0.36851 1.55351 -1.45665 -0.00022 -0.0005 -3.33005 0.44482 0 0 0 -0.81502 0 -0.00068 0.1866 2.61901 0 0.22094 0 -1.5107 -0.18689 0.27551 -1.0761
THR_11 -4.86492 0.20258 5.31038 -0.18342 0.1003 0.07823 3.64068 -2.54422 -0.01827 -0.18921 -4.28851 0.04378 0 0 0 -0.73574 0 -0.05873 0.01683 0.14355 0 0.44065 2.2979 -1.0874 0.42519 0.39691 -0.87345
LYS_12 -2.05009 0.133 2.16798 -0.30621 0.02827 0.13781 0.65232 -1.04759 -0 -0 0.33421 -0.01475 0 0 0 0 0 -0.06062 0.00178 1.7489 0 -0.06157 0 -1.5107 0.12636 0.31576 0.59486
CYS_13 -2.03583 0.21483 1.37704 -0.05226 0.00266 0.02054 0.19214 -0.84107 -0 -0 0.19346 -0.46401 0 0 0 0 0 -0.06435 0.01491 0.58008 0 0.27536 0 3.6196 -0.48205 0.29264 2.84369
THR_14 -3.71343 0.37674 3.19946 -0.10949 0.0595 0.0599 1.55757 -1.69358 -0.01491 -0.07881 0.13824 -1.17751 0 0 0 0 0 -0.03555 0.00222 0.17826 0 -0.68277 2.28362 -1.0874 -0.22397 0.38153 -0.58041
GLY_15 -1.98478 0.07999 2.11022 -5e-05 0 0 0.96765 -1.13644 -0 -0 -0.16571 -0.36439 0 0 0 0 0 -0.14152 0 0 0 -1.40776 0 0.83697 -0.21818 0.33386 -1.09013
PHE_16 -4.17233 0.25129 4.32002 -0.56466 0.04635 0.27914 1.90504 -2.08928 -0.02358 -0.13659 -1.54101 0.05227 0 0 0 0 0 0.09055 0.05916 0 1.89974 -0.29069 0 1.0402 -0.3526 0.33603 1.10904
ASP_17 -4.06314 0.27587 5.44736 -0.1079 0.00394 0.31243 2.45461 -2.14811 -0.00022 -0.0005 -5.04271 -0.08128 0 0 0 -1.96362 0 -0.07464 0.01022 0 2.83767 -0.10184 0 -2.3716 -0.17863 0.40431 -4.38778
GLU_18 -4.179 0.23712 5.37487 -0.17998 0.01574 0.22713 2.60033 -2.18135 -0.00152 -0.02478 -3.91743 -0.41576 0 0 0 -0.73574 0 0.01073 0.08715 0 3.97142 0.05917 0 -2.7348 -0.02208 0.28608 -1.52272
THR_19 -3.45203 0.47445 1.0825 -0.11929 0.05231 0.08652 0.49014 -0.97037 -0.00373 -0.05127 -0.7747 -0.66991 0 0 0 0 0 -0.00394 0.0309 0.18215 0 -0.30979 2.33155 -1.0874 -0.17636 0.23374 -2.65453
TYR_20 -10.1841 0.61912 5.67946 -0.94207 0.14098 0.5899 3.88753 -3.6372 -0.00739 -0.12038 -3.92149 -0.35781 0 0 -0.39573 0 0 0.01792 0.14269 0 1.63718 -0.31073 0.24683 1.2797 -0.27637 0.52118 -5.39077
ASN_21 -6.68331 0.66847 6.76223 -0.23701 0.01738 0.35093 3.90769 -3.19706 -0 -0 -3.16571 -0.50902 0 0 -2.16046 0 0 -0.02797 0.0145 0 2.79237 0.21498 0 -0.93687 -0.20689 0.50307 -1.89271
TRP_22 -5.91446 0.68092 4.19182 -1.4316 0.27785 0.59045 1.98221 -2.44717 -0.0121 -0.06601 -0.85054 -0.69421 0 0 0 0 0 -0.18024 0.08501 0 1.16484 -0.08426 0 1.6906 -0.13157 0.36243 -0.78604
LYS_23 -4.27948 0.5209 3.2834 -0.46414 0.07906 0.29216 0.84135 -1.53465 -0 -0 -0.72633 0.08943 0 0 -1.20327 0 0 -0.04493 0.11004 2.01817 0 -0.10741 0 -1.5107 -0.32683 0.38783 -2.57541
GLU_24 -5.53817 0.43202 6.03912 -0.17504 0.02033 0.22882 3.52029 -2.68635 -0.0023 -0.009 -2.2086 -0.39191 0 0 -0.95719 0 0 0.01611 0.01172 0 3.60338 -0.00181 0 -2.7348 -0.32335 0.33035 -0.82637
ASN_25 -4.48571 0.4349 3.24596 -0.19121 0.02063 0.30718 0.84863 -1.9796 -0.01389 -0.12677 -0.94493 -0.6757 0 0 -0.97415 0 0 -0.05019 0.01828 0 2.28234 -0.63151 0 -0.93687 -0.16584 0.34336 -3.67509
VAL_26 -3.24843 0.49209 2.38811 -0.27341 0.16847 0.05901 0.82015 -1.39895 -0.00373 -0.05127 0.29529 -0.37364 0 0 0 0 0 0.02141 0.0002 0.29292 0 -0.75275 0 1.9342 -0.02288 0.78984 1.13661
PRO_27 -3.12235 0.43932 1.4545 -0.07606 0 0.0461 0.1489 -0.64777 -0.00668 -0.04883 -0.06665 0.61041 0 0 0 0 0 -0.10573 0.00852 0.49543 0 -0.29556 0 -2.4119 -0.14651 0.92786 -2.79701
THR_28 -4.82489 0.55741 3.49866 -0.20386 0.12549 0.07727 1.70667 -2.17996 -0.00898 -0.05783 -1.1495 -1.19185 0 0 0 0 0 0.13233 0.00361 0.94993 0 -0.11225 2.31736 -1.0874 -0.23771 0.64121 -1.04428
GLU_29 -3.12848 0.12118 2.48359 -0.28374 0.05126 0.339 0.81682 -1.26984 -0 -0 -1.55291 -0.23209 0 0 -0.39573 0 0 -0.06591 0.02349 0 2.79157 -0.04463 0 -2.7348 -0.31319 0.46291 -2.93151
ALA:CtermProteinFull_30 -3.34466 0.38995 2.23206 -0.0364 0.00245 0 1.45176 -1.48743 -0.01389 -0.12677 -0.75222 -0.10662 0 0 -0.97415 0 0 0 0 0 0 0 0 1.8394 -0.32614 0.21095 -1.04169
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 699818 DOMAINID 690204 MODEL 2 LI0649-38
MODEL     2
REMARK    Rerank model05.pdb to model02.pdb score: 17.305
REMARK    S_0000_0001
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     cart_bonded:          13.584
REMARK    SCORE     description: best_scoring0001_0001_0001
REMARK    SCORE     lk_ball_wtd:          -5.179
REMARK    SCORE           score:         -53.298
REMARK    SCORE           omega:          -0.745
REMARK    SCORE     hbond_sr_bb:          -5.294
REMARK    SCORE        hbond_sc:          -4.110
REMARK    SCORE             ref:           2.371
REMARK    SCORE         p_aa_pp:          -7.367
REMARK    SCORE            time:           0.000
REMARK    SCORE     hbond_lr_bb:          -5.783
REMARK    SCORE     rama_prepro:          -7.723
REMARK    SCORE          fa_sol:         103.514
REMARK    SCORE          fa_dun:          38.261
REMARK    SCORE          fa_atr:        -132.557
REMARK    SCORE     hbond_bb_sc:         -15.248
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE         fa_elec:         -45.314
REMARK    SCORE          fa_rep:          11.923
REMARK    SCORE fa_intra_sol_xover4:           6.079
REMARK    SCORE     total_score:         -53.298
REMARK    SCORE    fa_intra_rep:           0.289
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE   yhh_planarity:           0.000
ATOM      1  N   SER A   1       0.354   0.062   0.424  1.00  4.16           N  
ATOM      2  CA  SER A   1       1.803   0.049   0.491  1.00  3.64           C  
ATOM      3  C   SER A   1       2.372   1.458   0.461  1.00  2.85           C  
ATOM      4  O   SER A   1       3.518   1.680   0.042  1.00  3.02           O  
ATOM      5  CB  SER A   1       2.342  -0.763  -0.661  1.00  5.31           C  
ATOM      6  OG  SER A   1       1.942  -0.196  -1.870  1.00  5.31           O  
ATOM      7 1H   SER A   1      -0.016  -0.782   0.835  1.00  4.99           H  
ATOM      8 2H   SER A   1      -0.022   0.870   0.919  1.00  4.99           H  
ATOM      9 3H   SER A   1       0.085   0.114  -0.547  1.00  4.99           H  
ATOM     10  HA  SER A   1       2.101  -0.419   1.430  1.00  4.37           H  
ATOM     11 1HB  SER A   1       3.431  -0.793  -0.609  1.00  6.37           H  
ATOM     12 2HB  SER A   1       1.979  -1.787  -0.593  1.00  6.37           H  
ATOM     13  HG  SER A   1       2.359  -0.725  -2.562  1.00  6.37           H  
ATOM     14  N   GLY A   2       1.572   2.412   0.930  1.00  2.61           N  
ATOM     15  CA  GLY A   2       1.999   3.800   1.026  1.00  2.39           C  
ATOM     16  C   GLY A   2       3.130   3.911   2.031  1.00  1.84           C  
ATOM     17  O   GLY A   2       3.246   3.086   2.944  1.00  1.92           O  
ATOM     18  H   GLY A   2       0.624   2.187   1.246  1.00  3.13           H  
ATOM     19 1HA  GLY A   2       2.329   4.159   0.051  1.00  2.87           H  
ATOM     20 2HA  GLY A   2       1.157   4.412   1.339  1.00  2.87           H  
ATOM     21  N   GLN A   3       3.992   4.902   1.839  1.00  1.81           N  
ATOM     22  CA  GLN A   3       5.123   5.111   2.726  1.00  1.95           C  
ATOM     23  C   GLN A   3       4.963   6.381   3.535  1.00  1.79           C  
ATOM     24  O   GLN A   3       4.269   7.312   3.120  1.00  2.02           O  
ATOM     25  CB  GLN A   3       6.420   5.128   1.916  1.00  2.68           C  
ATOM     26  CG  GLN A   3       6.622   3.847   1.122  1.00  2.68           C  
ATOM     27  CD  GLN A   3       6.763   2.666   2.037  1.00  2.68           C  
ATOM     28  OE1 GLN A   3       7.621   2.685   2.930  1.00  2.68           O  
ATOM     29  NE2 GLN A   3       5.925   1.651   1.852  1.00  2.68           N  
ATOM     30  H   GLN A   3       3.845   5.568   1.080  1.00  2.17           H  
ATOM     31  HA  GLN A   3       5.168   4.281   3.434  1.00  2.34           H  
ATOM     32 1HB  GLN A   3       6.406   5.961   1.221  1.00  3.22           H  
ATOM     33 2HB  GLN A   3       7.271   5.263   2.580  1.00  3.22           H  
ATOM     34 1HG  GLN A   3       5.759   3.675   0.476  1.00  3.22           H  
ATOM     35 2HG  GLN A   3       7.527   3.930   0.525  1.00  3.22           H  
ATOM     36 1HE2 GLN A   3       5.969   0.853   2.446  1.00  3.22           H  
ATOM     37 2HE2 GLN A   3       5.211   1.681   1.111  1.00  3.22           H  
ATOM     38  N   PHE A   4       5.679   6.478   4.652  1.00  1.93           N  
ATOM     39  CA  PHE A   4       5.634   7.711   5.442  1.00  2.27           C  
ATOM     40  C   PHE A   4       6.124   8.898   4.598  1.00  1.83           C  
ATOM     41  O   PHE A   4       5.693  10.042   4.761  1.00  2.29           O  
ATOM     42  CB  PHE A   4       6.532   7.577   6.667  1.00  3.05           C  
ATOM     43  CG  PHE A   4       7.978   7.719   6.345  1.00  3.05           C  
ATOM     44  CD1 PHE A   4       8.586   8.967   6.425  1.00  3.05           C  
ATOM     45  CD2 PHE A   4       8.741   6.634   5.934  1.00  3.05           C  
ATOM     46  CE1 PHE A   4       9.909   9.126   6.101  1.00  3.05           C  
ATOM     47  CE2 PHE A   4      10.066   6.798   5.610  1.00  3.05           C  
ATOM     48  CZ  PHE A   4      10.650   8.044   5.694  1.00  3.05           C  
ATOM     49  H   PHE A   4       6.231   5.691   4.961  1.00  2.32           H  
ATOM     50  HA  PHE A   4       4.603   7.892   5.757  1.00  2.72           H  
ATOM     51 1HB  PHE A   4       6.283   8.336   7.365  1.00  3.66           H  
ATOM     52 2HB  PHE A   4       6.368   6.617   7.152  1.00  3.66           H  
ATOM     53  HD1 PHE A   4       7.993   9.831   6.742  1.00  3.66           H  
ATOM     54  HD2 PHE A   4       8.290   5.648   5.864  1.00  3.66           H  
ATOM     55  HE1 PHE A   4      10.371  10.112   6.165  1.00  3.66           H  
ATOM     56  HE2 PHE A   4      10.656   5.942   5.284  1.00  3.66           H  
ATOM     57  HZ  PHE A   4      11.700   8.171   5.434  1.00  3.66           H  
ATOM     58  N   ALA A   5       6.970   8.597   3.615  1.00  1.29           N  
ATOM     59  CA  ALA A   5       7.587   9.573   2.742  1.00  1.20           C  
ATOM     60  C   ALA A   5       6.631  10.053   1.656  1.00  1.06           C  
ATOM     61  O   ALA A   5       6.972  10.948   0.880  1.00  1.24           O  
ATOM     62  CB  ALA A   5       8.823   8.963   2.113  1.00  1.72           C  
ATOM     63  H   ALA A   5       7.240   7.630   3.516  1.00  1.55           H  
ATOM     64  HA  ALA A   5       7.876  10.431   3.345  1.00  1.44           H  
ATOM     65 1HB  ALA A   5       9.310   9.701   1.479  1.00  2.06           H  
ATOM     66 2HB  ALA A   5       9.508   8.647   2.899  1.00  2.06           H  
ATOM     67 3HB  ALA A   5       8.534   8.102   1.515  1.00  2.06           H  
ATOM     68  N   THR A   6       5.446   9.443   1.588  1.00  0.95           N  
ATOM     69  CA  THR A   6       4.427   9.787   0.617  1.00  0.90           C  
ATOM     70  C   THR A   6       3.196  10.248   1.404  1.00  0.84           C  
ATOM     71  O   THR A   6       2.090  10.330   0.864  1.00  0.98           O  
ATOM     72  CB  THR A   6       4.068   8.595  -0.310  1.00  1.28           C  
ATOM     73  OG1 THR A   6       3.527   7.493   0.452  1.00  1.28           O  
ATOM     74  CG2 THR A   6       5.351   8.117  -0.986  1.00  1.28           C  
ATOM     75  H   THR A   6       5.202   8.715   2.258  1.00  1.14           H  
ATOM     76  HA  THR A   6       4.771  10.618   0.006  1.00  1.08           H  
ATOM     77  HB  THR A   6       3.346   8.908  -1.062  1.00  1.54           H  
ATOM     78  HG1 THR A   6       2.602   7.700   0.650  1.00  1.54           H  
ATOM     79 1HG2 THR A   6       5.123   7.279  -1.642  1.00  1.54           H  
ATOM     80 2HG2 THR A   6       5.777   8.932  -1.566  1.00  1.54           H  
ATOM     81 3HG2 THR A   6       6.064   7.799  -0.235  1.00  1.54           H  
ATOM     82  N   ASN A   7       3.416  10.544   2.698  1.00  0.83           N  
ATOM     83  CA  ASN A   7       2.412  10.960   3.669  1.00  1.00           C  
ATOM     84  C   ASN A   7       1.297   9.928   3.890  1.00  0.82           C  
ATOM     85  O   ASN A   7       0.138  10.296   4.113  1.00  0.73           O  
ATOM     86  CB  ASN A   7       1.820  12.306   3.250  1.00  1.33           C  
ATOM     87  CG  ASN A   7       1.135  13.069   4.381  1.00  1.33           C  
ATOM     88  OD1 ASN A   7       1.509  12.941   5.547  1.00  1.33           O  
ATOM     89  ND2 ASN A   7       0.158  13.883   4.039  1.00  1.33           N  
ATOM     90  H   ASN A   7       4.366  10.462   3.067  1.00  1.00           H  
ATOM     91  HA  ASN A   7       2.925  11.093   4.622  1.00  1.20           H  
ATOM     92 1HB  ASN A   7       2.612  12.932   2.837  1.00  1.60           H  
ATOM     93 2HB  ASN A   7       1.090  12.146   2.456  1.00  1.60           H  
ATOM     94 1HD2 ASN A   7      -0.308  14.426   4.741  1.00  1.60           H  
ATOM     95 2HD2 ASN A   7      -0.113  13.967   3.081  1.00  1.60           H  
ATOM     96  N   ARG A   8       1.651   8.640   3.921  1.00  0.95           N  
ATOM     97  CA  ARG A   8       0.697   7.564   4.185  1.00  0.85           C  
ATOM     98  C   ARG A   8       1.280   6.508   5.116  1.00  0.81           C  
ATOM     99  O   ARG A   8       2.483   6.270   5.129  1.00  0.96           O  
ATOM    100  CB  ARG A   8       0.285   6.871   2.900  1.00  1.23           C  
ATOM    101  CG  ARG A   8      -0.475   7.712   1.877  1.00  1.23           C  
ATOM    102  CD  ARG A   8      -1.862   8.063   2.327  1.00  1.23           C  
ATOM    103  NE  ARG A   8      -2.585   8.782   1.282  1.00  1.23           N  
ATOM    104  CZ  ARG A   8      -2.524  10.122   1.076  1.00  1.23           C  
ATOM    105  NH1 ARG A   8      -1.763  10.889   1.842  1.00  1.23           N  
ATOM    106  NH2 ARG A   8      -3.230  10.660   0.086  1.00  1.23           N  
ATOM    107  H   ARG A   8       2.622   8.368   3.734  1.00  1.14           H  
ATOM    108  HA  ARG A   8      -0.178   7.986   4.665  1.00  1.02           H  
ATOM    109 1HB  ARG A   8       1.189   6.528   2.406  1.00  1.48           H  
ATOM    110 2HB  ARG A   8      -0.299   6.002   3.138  1.00  1.48           H  
ATOM    111 1HG  ARG A   8       0.072   8.629   1.671  1.00  1.48           H  
ATOM    112 2HG  ARG A   8      -0.565   7.141   0.956  1.00  1.48           H  
ATOM    113 1HD  ARG A   8      -2.415   7.148   2.555  1.00  1.48           H  
ATOM    114 2HD  ARG A   8      -1.832   8.683   3.212  1.00  1.48           H  
ATOM    115  HE  ARG A   8      -3.180   8.236   0.671  1.00  1.48           H  
ATOM    116 1HH1 ARG A   8      -1.213  10.477   2.607  1.00  1.48           H  
ATOM    117 2HH1 ARG A   8      -1.710  11.882   1.677  1.00  1.48           H  
ATOM    118 1HH2 ARG A   8      -3.809  10.074  -0.500  1.00  1.48           H  
ATOM    119 2HH2 ARG A   8      -3.195  11.655  -0.080  1.00  1.48           H  
ATOM    120  N   THR A   9       0.432   5.853   5.891  1.00  0.70           N  
ATOM    121  CA  THR A   9       0.950   4.767   6.713  1.00  0.77           C  
ATOM    122  C   THR A   9      -0.138   3.735   6.975  1.00  0.65           C  
ATOM    123  O   THR A   9      -1.318   4.079   7.075  1.00  0.65           O  
ATOM    124  CB  THR A   9       1.504   5.346   8.027  1.00  1.06           C  
ATOM    125  OG1 THR A   9       2.206   4.330   8.763  1.00  1.06           O  
ATOM    126  CG2 THR A   9       0.345   5.905   8.888  1.00  1.06           C  
ATOM    127  H   THR A   9      -0.554   6.128   5.910  1.00  0.84           H  
ATOM    128  HA  THR A   9       1.759   4.270   6.173  1.00  0.92           H  
ATOM    129  HB  THR A   9       2.192   6.142   7.784  1.00  1.27           H  
ATOM    130  HG1 THR A   9       2.996   4.096   8.245  1.00  1.27           H  
ATOM    131 1HG2 THR A   9       0.741   6.337   9.793  1.00  1.27           H  
ATOM    132 2HG2 THR A   9      -0.188   6.665   8.326  1.00  1.27           H  
ATOM    133 3HG2 THR A   9      -0.353   5.111   9.155  1.00  1.27           H  
ATOM    134  N   LYS A  10       0.244   2.476   7.135  1.00  0.72           N  
ATOM    135  CA  LYS A  10      -0.774   1.471   7.422  1.00  0.70           C  
ATOM    136  C   LYS A  10      -1.180   1.471   8.884  1.00  0.77           C  
ATOM    137  O   LYS A  10      -0.352   1.315   9.785  1.00  0.95           O  
ATOM    138  CB  LYS A  10      -0.314   0.077   6.994  1.00  0.98           C  
ATOM    139  CG  LYS A  10      -1.392  -1.024   7.168  1.00  0.98           C  
ATOM    140  CD  LYS A  10      -0.913  -2.372   6.630  1.00  0.98           C  
ATOM    141  CE  LYS A  10      -1.987  -3.443   6.772  1.00  0.98           C  
ATOM    142  NZ  LYS A  10      -1.532  -4.766   6.249  1.00  0.98           N  
ATOM    143  H   LYS A  10       1.219   2.223   7.035  1.00  0.86           H  
ATOM    144  HA  LYS A  10      -1.658   1.711   6.838  1.00  0.84           H  
ATOM    145 1HB  LYS A  10      -0.034   0.104   5.937  1.00  1.18           H  
ATOM    146 2HB  LYS A  10       0.575  -0.210   7.565  1.00  1.18           H  
ATOM    147 1HG  LYS A  10      -1.630  -1.140   8.229  1.00  1.18           H  
ATOM    148 2HG  LYS A  10      -2.308  -0.725   6.643  1.00  1.18           H  
ATOM    149 1HD  LYS A  10      -0.650  -2.267   5.574  1.00  1.18           H  
ATOM    150 2HD  LYS A  10      -0.024  -2.682   7.179  1.00  1.18           H  
ATOM    151 1HE  LYS A  10      -2.249  -3.548   7.823  1.00  1.18           H  
ATOM    152 2HE  LYS A  10      -2.871  -3.134   6.218  1.00  1.18           H  
ATOM    153 1HZ  LYS A  10      -2.272  -5.446   6.358  1.00  1.18           H  
ATOM    154 2HZ  LYS A  10      -1.302  -4.677   5.269  1.00  1.18           H  
ATOM    155 3HZ  LYS A  10      -0.717  -5.073   6.761  1.00  1.18           H  
ATOM    156  N   THR A  11      -2.478   1.608   9.102  1.00  0.73           N  
ATOM    157  CA  THR A  11      -3.054   1.613  10.428  1.00  0.93           C  
ATOM    158  C   THR A  11      -3.569   0.224  10.785  1.00  1.01           C  
ATOM    159  O   THR A  11      -4.470  -0.330  10.144  1.00  0.88           O  
ATOM    160  CB  THR A  11      -4.141   2.705  10.531  1.00  1.22           C  
ATOM    161  OG1 THR A  11      -3.528   3.990  10.358  1.00  1.22           O  
ATOM    162  CG2 THR A  11      -4.892   2.677  11.792  1.00  1.22           C  
ATOM    163  H   THR A  11      -3.084   1.752   8.283  1.00  0.88           H  
ATOM    164  HA  THR A  11      -2.270   1.879  11.139  1.00  1.12           H  
ATOM    165  HB  THR A  11      -4.848   2.557   9.716  1.00  1.46           H  
ATOM    166  HG1 THR A  11      -2.825   4.119  11.045  1.00  1.46           H  
ATOM    167 1HG2 THR A  11      -5.635   3.471  11.786  1.00  1.46           H  
ATOM    168 2HG2 THR A  11      -5.385   1.738  11.902  1.00  1.46           H  
ATOM    169 3HG2 THR A  11      -4.200   2.824  12.581  1.00  1.46           H  
ATOM    170  N   LYS A  12      -3.051  -0.315  11.886  1.00  1.29           N  
ATOM    171  CA  LYS A  12      -3.385  -1.664  12.359  1.00  1.50           C  
ATOM    172  C   LYS A  12      -4.865  -1.863  12.678  1.00  1.58           C  
ATOM    173  O   LYS A  12      -5.358  -2.988  12.735  1.00  1.67           O  
ATOM    174  CB  LYS A  12      -2.552  -1.995  13.603  1.00  2.02           C  
ATOM    175  CG  LYS A  12      -2.912  -1.182  14.859  1.00  2.02           C  
ATOM    176  CD  LYS A  12      -2.002  -1.524  16.035  1.00  2.02           C  
ATOM    177  CE  LYS A  12      -2.404  -0.747  17.293  1.00  2.02           C  
ATOM    178  NZ  LYS A  12      -1.508  -1.061  18.450  1.00  2.02           N  
ATOM    179  H   LYS A  12      -2.335   0.214  12.369  1.00  1.55           H  
ATOM    180  HA  LYS A  12      -3.122  -2.369  11.572  1.00  1.80           H  
ATOM    181 1HB  LYS A  12      -2.677  -3.052  13.846  1.00  2.42           H  
ATOM    182 2HB  LYS A  12      -1.498  -1.832  13.386  1.00  2.42           H  
ATOM    183 1HG  LYS A  12      -2.851  -0.118  14.648  1.00  2.42           H  
ATOM    184 2HG  LYS A  12      -3.928  -1.417  15.156  1.00  2.42           H  
ATOM    185 1HD  LYS A  12      -2.067  -2.592  16.242  1.00  2.42           H  
ATOM    186 2HD  LYS A  12      -0.969  -1.280  15.784  1.00  2.42           H  
ATOM    187 1HE  LYS A  12      -2.353   0.320  17.083  1.00  2.42           H  
ATOM    188 2HE  LYS A  12      -3.429  -1.006  17.557  1.00  2.42           H  
ATOM    189 1HZ  LYS A  12      -1.805  -0.532  19.260  1.00  2.42           H  
ATOM    190 2HZ  LYS A  12      -1.559  -2.048  18.660  1.00  2.42           H  
ATOM    191 3HZ  LYS A  12      -0.557  -0.814  18.220  1.00  2.42           H  
ATOM    192  N   CYS A  13      -5.564  -0.764  12.911  1.00  1.65           N  
ATOM    193  CA  CYS A  13      -6.969  -0.781  13.259  1.00  1.84           C  
ATOM    194  C   CYS A  13      -7.912  -0.683  12.062  1.00  1.59           C  
ATOM    195  O   CYS A  13      -9.127  -0.754  12.248  1.00  1.74           O  
ATOM    196  CB  CYS A  13      -7.277   0.368  14.212  1.00  2.50           C  
ATOM    197  SG  CYS A  13      -6.423   0.236  15.788  1.00  2.50           S  
ATOM    198  H   CYS A  13      -5.084   0.115  12.827  1.00  1.98           H  
ATOM    199  HA  CYS A  13      -7.173  -1.718  13.777  1.00  2.21           H  
ATOM    200 1HB  CYS A  13      -6.998   1.312  13.752  1.00  3.00           H  
ATOM    201 2HB  CYS A  13      -8.348   0.402  14.407  1.00  3.00           H  
ATOM    202  HG  CYS A  13      -6.907  -0.970  16.090  1.00  3.00           H  
ATOM    203  N   THR A  14      -7.384  -0.473  10.843  1.00  1.26           N  
ATOM    204  CA  THR A  14      -8.278  -0.369   9.690  1.00  1.11           C  
ATOM    205  C   THR A  14      -7.810  -1.282   8.558  1.00  0.90           C  
ATOM    206  O   THR A  14      -8.620  -1.772   7.773  1.00  0.89           O  
ATOM    207  CB  THR A  14      -8.352   1.074   9.138  1.00  1.62           C  
ATOM    208  OG1 THR A  14      -7.077   1.468   8.595  1.00  1.62           O  
ATOM    209  CG2 THR A  14      -8.700   2.036  10.270  1.00  1.62           C  
ATOM    210  H   THR A  14      -6.374  -0.439  10.709  1.00  1.51           H  
ATOM    211  HA  THR A  14      -9.276  -0.687   9.984  1.00  1.33           H  
ATOM    212  HB  THR A  14      -9.111   1.136   8.362  1.00  1.94           H  
ATOM    213  HG1 THR A  14      -7.184   2.366   8.147  1.00  1.94           H  
ATOM    214 1HG2 THR A  14      -8.750   3.052   9.872  1.00  1.94           H  
ATOM    215 2HG2 THR A  14      -9.664   1.761  10.696  1.00  1.94           H  
ATOM    216 3HG2 THR A  14      -7.939   1.995  11.039  1.00  1.94           H  
ATOM    217  N   GLY A  15      -6.503  -1.556   8.505  1.00  0.87           N  
ATOM    218  CA  GLY A  15      -5.899  -2.357   7.441  1.00  0.90           C  
ATOM    219  C   GLY A  15      -5.587  -1.548   6.176  1.00  0.83           C  
ATOM    220  O   GLY A  15      -5.114  -2.094   5.177  1.00  1.11           O  
ATOM    221  H   GLY A  15      -5.879  -1.144   9.197  1.00  1.04           H  
ATOM    222 1HA  GLY A  15      -4.979  -2.798   7.821  1.00  1.08           H  
ATOM    223 2HA  GLY A  15      -6.566  -3.178   7.188  1.00  1.08           H  
ATOM    224  N   PHE A  16      -5.843  -0.246   6.235  1.00  0.66           N  
ATOM    225  CA  PHE A  16      -5.658   0.674   5.122  1.00  0.78           C  
ATOM    226  C   PHE A  16      -4.564   1.693   5.361  1.00  0.62           C  
ATOM    227  O   PHE A  16      -4.130   1.917   6.498  1.00  0.52           O  
ATOM    228  CB  PHE A  16      -6.954   1.426   4.814  1.00  1.05           C  
ATOM    229  CG  PHE A  16      -8.055   0.567   4.285  1.00  1.05           C  
ATOM    230  CD1 PHE A  16      -8.972  -0.007   5.134  1.00  1.05           C  
ATOM    231  CD2 PHE A  16      -8.177   0.334   2.920  1.00  1.05           C  
ATOM    232  CE1 PHE A  16      -9.987  -0.795   4.647  1.00  1.05           C  
ATOM    233  CE2 PHE A  16      -9.194  -0.457   2.427  1.00  1.05           C  
ATOM    234  CZ  PHE A  16     -10.101  -1.022   3.294  1.00  1.05           C  
ATOM    235  H   PHE A  16      -6.214   0.128   7.105  1.00  0.79           H  
ATOM    236  HA  PHE A  16      -5.384   0.091   4.244  1.00  0.94           H  
ATOM    237 1HB  PHE A  16      -7.311   1.912   5.727  1.00  1.26           H  
ATOM    238 2HB  PHE A  16      -6.757   2.219   4.095  1.00  1.26           H  
ATOM    239  HD1 PHE A  16      -8.890   0.165   6.200  1.00  1.26           H  
ATOM    240  HD2 PHE A  16      -7.461   0.780   2.231  1.00  1.26           H  
ATOM    241  HE1 PHE A  16     -10.700  -1.244   5.342  1.00  1.26           H  
ATOM    242  HE2 PHE A  16      -9.282  -0.634   1.354  1.00  1.26           H  
ATOM    243  HZ  PHE A  16     -10.905  -1.647   2.912  1.00  1.26           H  
ATOM    244  N   ASP A  17      -4.115   2.302   4.263  1.00  0.76           N  
ATOM    245  CA  ASP A  17      -3.159   3.395   4.331  1.00  0.69           C  
ATOM    246  C   ASP A  17      -3.881   4.696   4.641  1.00  0.73           C  
ATOM    247  O   ASP A  17      -4.657   5.207   3.826  1.00  0.94           O  
ATOM    248  CB  ASP A  17      -2.404   3.550   3.021  1.00  1.00           C  
ATOM    249  CG  ASP A  17      -1.369   2.474   2.742  1.00  1.00           C  
ATOM    250  OD1 ASP A  17      -0.839   1.901   3.645  1.00  1.00           O  
ATOM    251  OD2 ASP A  17      -1.084   2.249   1.580  1.00  1.00           O  
ATOM    252  H   ASP A  17      -4.470   2.022   3.359  1.00  0.91           H  
ATOM    253  HA  ASP A  17      -2.452   3.193   5.129  1.00  0.83           H  
ATOM    254 1HB  ASP A  17      -3.119   3.556   2.199  1.00  1.20           H  
ATOM    255 2HB  ASP A  17      -1.919   4.504   3.016  1.00  1.20           H  
ATOM    256  N   GLU A  18      -3.630   5.206   5.830  1.00  0.68           N  
ATOM    257  CA  GLU A  18      -4.259   6.395   6.369  1.00  0.83           C  
ATOM    258  C   GLU A  18      -3.269   7.533   6.246  1.00  0.68           C  
ATOM    259  O   GLU A  18      -2.070   7.299   6.058  1.00  0.59           O  
ATOM    260  CB  GLU A  18      -4.656   6.197   7.837  1.00  1.10           C  
ATOM    261  CG  GLU A  18      -5.612   5.012   8.133  1.00  1.10           C  
ATOM    262  CD  GLU A  18      -6.980   5.116   7.561  1.00  1.10           C  
ATOM    263  OE1 GLU A  18      -7.381   6.200   7.200  1.00  1.10           O  
ATOM    264  OE2 GLU A  18      -7.654   4.094   7.509  1.00  1.10           O  
ATOM    265  H   GLU A  18      -2.944   4.715   6.407  1.00  0.82           H  
ATOM    266  HA  GLU A  18      -5.149   6.635   5.785  1.00  1.00           H  
ATOM    267 1HB  GLU A  18      -3.751   6.034   8.429  1.00  1.32           H  
ATOM    268 2HB  GLU A  18      -5.128   7.105   8.209  1.00  1.32           H  
ATOM    269 1HG  GLU A  18      -5.150   4.097   7.758  1.00  1.32           H  
ATOM    270 2HG  GLU A  18      -5.701   4.919   9.213  1.00  1.32           H  
ATOM    271  N   THR A  19      -3.742   8.767   6.314  1.00  0.78           N  
ATOM    272  CA  THR A  19      -2.812   9.881   6.256  1.00  0.70           C  
ATOM    273  C   THR A  19      -1.800   9.774   7.407  1.00  0.64           C  
ATOM    274  O   THR A  19      -2.168   9.591   8.582  1.00  0.80           O  
ATOM    275  CB  THR A  19      -3.570  11.225   6.272  1.00  1.02           C  
ATOM    276  OG1 THR A  19      -4.479  11.286   5.160  1.00  1.02           O  
ATOM    277  CG2 THR A  19      -2.577  12.371   6.171  1.00  1.02           C  
ATOM    278  H   THR A  19      -4.732   8.941   6.427  1.00  0.94           H  
ATOM    279  HA  THR A  19      -2.255   9.825   5.319  1.00  0.84           H  
ATOM    280  HB  THR A  19      -4.149  11.298   7.169  1.00  1.22           H  
ATOM    281  HG1 THR A  19      -5.074  12.040   5.271  1.00  1.22           H  
ATOM    282 1HG2 THR A  19      -3.113  13.309   6.164  1.00  1.22           H  
ATOM    283 2HG2 THR A  19      -1.889  12.358   7.017  1.00  1.22           H  
ATOM    284 3HG2 THR A  19      -2.013  12.273   5.245  1.00  1.22           H  
ATOM    285  N   TYR A  20      -0.525   9.871   7.049  1.00  0.57           N  
ATOM    286  CA  TYR A  20       0.567   9.753   8.003  1.00  0.61           C  
ATOM    287  C   TYR A  20       0.548  10.791   9.101  1.00  0.61           C  
ATOM    288  O   TYR A  20       0.543  11.997   8.861  1.00  0.63           O  
ATOM    289  CB  TYR A  20       1.880   9.780   7.245  1.00  0.85           C  
ATOM    290  CG  TYR A  20       3.106   9.769   8.041  1.00  0.85           C  
ATOM    291  CD1 TYR A  20       3.402   8.727   8.878  1.00  0.85           C  
ATOM    292  CD2 TYR A  20       3.980  10.824   7.900  1.00  0.85           C  
ATOM    293  CE1 TYR A  20       4.557   8.748   9.590  1.00  0.85           C  
ATOM    294  CE2 TYR A  20       5.146  10.847   8.605  1.00  0.85           C  
ATOM    295  CZ  TYR A  20       5.442   9.824   9.454  1.00  0.85           C  
ATOM    296  OH  TYR A  20       6.618   9.860  10.167  1.00  0.85           O  
ATOM    297  H   TYR A  20      -0.320  10.018   6.057  1.00  0.68           H  
ATOM    298  HA  TYR A  20       0.481   8.788   8.483  1.00  0.73           H  
ATOM    299 1HB  TYR A  20       1.918   8.924   6.595  1.00  1.02           H  
ATOM    300 2HB  TYR A  20       1.894  10.656   6.635  1.00  1.02           H  
ATOM    301  HD1 TYR A  20       2.722   7.898   8.992  1.00  1.02           H  
ATOM    302  HD2 TYR A  20       3.736  11.643   7.219  1.00  1.02           H  
ATOM    303  HE1 TYR A  20       4.779   7.929  10.264  1.00  1.02           H  
ATOM    304  HE2 TYR A  20       5.839  11.680   8.495  1.00  1.02           H  
ATOM    305  HH  TYR A  20       6.584   9.197  10.893  1.00  1.02           H  
ATOM    306  N   ASN A  21       0.536  10.287  10.335  1.00  0.71           N  
ATOM    307  CA  ASN A  21       0.534  11.068  11.561  1.00  0.81           C  
ATOM    308  C   ASN A  21      -0.545  12.151  11.547  1.00  0.76           C  
ATOM    309  O   ASN A  21      -0.327  13.278  11.998  1.00  0.68           O  
ATOM    310  CB  ASN A  21       1.919  11.602  11.840  1.00  1.09           C  
ATOM    311  CG  ASN A  21       2.872  10.442  12.018  1.00  1.09           C  
ATOM    312  OD1 ASN A  21       2.422   9.277  11.907  1.00  1.09           O  
ATOM    313  ND2 ASN A  21       4.124  10.719  12.309  1.00  1.09           N  
ATOM    314  H   ASN A  21       0.531   9.281  10.427  1.00  0.85           H  
ATOM    315  HA  ASN A  21       0.276  10.398  12.383  1.00  0.97           H  
ATOM    316 1HB  ASN A  21       2.256  12.223  11.007  1.00  1.31           H  
ATOM    317 2HB  ASN A  21       1.913  12.215  12.739  1.00  1.31           H  
ATOM    318 1HD2 ASN A  21       4.807   9.963  12.448  1.00  1.31           H  
ATOM    319 2HD2 ASN A  21       4.421  11.667  12.394  1.00  1.31           H  
ATOM    320  N   TRP A  22      -1.719  11.764  11.063  1.00  0.89           N  
ATOM    321  CA  TRP A  22      -2.886  12.609  10.940  1.00  0.96           C  
ATOM    322  C   TRP A  22      -3.540  12.945  12.275  1.00  0.95           C  
ATOM    323  O   TRP A  22      -3.472  12.163  13.228  1.00  1.02           O  
ATOM    324  CB  TRP A  22      -3.816  11.910   9.979  1.00  1.31           C  
ATOM    325  CG  TRP A  22      -5.038  12.588   9.611  1.00  1.31           C  
ATOM    326  CD1 TRP A  22      -6.277  12.170   9.887  1.00  1.31           C  
ATOM    327  CD2 TRP A  22      -5.180  13.820   8.877  1.00  1.31           C  
ATOM    328  NE1 TRP A  22      -7.188  13.033   9.377  1.00  1.31           N  
ATOM    329  CE2 TRP A  22      -6.539  14.050   8.751  1.00  1.31           C  
ATOM    330  CE3 TRP A  22      -4.273  14.727   8.322  1.00  1.31           C  
ATOM    331  CZ2 TRP A  22      -7.035  15.144   8.088  1.00  1.31           C  
ATOM    332  CZ3 TRP A  22      -4.769  15.834   7.657  1.00  1.31           C  
ATOM    333  CH2 TRP A  22      -6.117  16.036   7.542  1.00  1.31           C  
ATOM    334  H   TRP A  22      -1.802  10.818  10.677  1.00  1.07           H  
ATOM    335  HA  TRP A  22      -2.566  13.542  10.484  1.00  1.15           H  
ATOM    336 1HB  TRP A  22      -3.259  11.753   9.094  1.00  1.57           H  
ATOM    337 2HB  TRP A  22      -4.073  10.928  10.367  1.00  1.57           H  
ATOM    338  HD1 TRP A  22      -6.518  11.263  10.427  1.00  1.57           H  
ATOM    339  HE1 TRP A  22      -8.229  12.897   9.471  1.00  1.57           H  
ATOM    340  HE3 TRP A  22      -3.200  14.571   8.404  1.00  1.57           H  
ATOM    341  HZ2 TRP A  22      -8.106  15.318   7.988  1.00  1.57           H  
ATOM    342  HZ3 TRP A  22      -4.060  16.541   7.223  1.00  1.57           H  
ATOM    343  HH2 TRP A  22      -6.475  16.915   7.010  1.00  1.57           H  
ATOM    344  N   LYS A  23      -4.191  14.112  12.317  1.00  0.97           N  
ATOM    345  CA  LYS A  23      -4.855  14.710  13.486  1.00  1.05           C  
ATOM    346  C   LYS A  23      -5.909  13.844  14.177  1.00  0.94           C  
ATOM    347  O   LYS A  23      -6.307  14.133  15.304  1.00  1.05           O  
ATOM    348  CB  LYS A  23      -5.496  16.045  13.099  1.00  1.44           C  
ATOM    349  CG  LYS A  23      -6.702  15.944  12.163  1.00  1.44           C  
ATOM    350  CD  LYS A  23      -7.242  17.330  11.812  1.00  1.44           C  
ATOM    351  CE  LYS A  23      -8.505  17.248  10.963  1.00  1.44           C  
ATOM    352  NZ  LYS A  23      -9.028  18.600  10.609  1.00  1.44           N  
ATOM    353  H   LYS A  23      -4.177  14.663  11.467  1.00  1.16           H  
ATOM    354  HA  LYS A  23      -4.079  14.915  14.225  1.00  1.26           H  
ATOM    355 1HB  LYS A  23      -5.819  16.563  14.003  1.00  1.73           H  
ATOM    356 2HB  LYS A  23      -4.752  16.674  12.611  1.00  1.73           H  
ATOM    357 1HG  LYS A  23      -6.413  15.431  11.254  1.00  1.73           H  
ATOM    358 2HG  LYS A  23      -7.497  15.373  12.641  1.00  1.73           H  
ATOM    359 1HD  LYS A  23      -7.461  17.878  12.729  1.00  1.73           H  
ATOM    360 2HD  LYS A  23      -6.482  17.878  11.253  1.00  1.73           H  
ATOM    361 1HE  LYS A  23      -8.286  16.711  10.055  1.00  1.73           H  
ATOM    362 2HE  LYS A  23      -9.269  16.705  11.516  1.00  1.73           H  
ATOM    363 1HZ  LYS A  23      -9.863  18.502  10.048  1.00  1.73           H  
ATOM    364 2HZ  LYS A  23      -9.248  19.109  11.454  1.00  1.73           H  
ATOM    365 3HZ  LYS A  23      -8.330  19.107  10.084  1.00  1.73           H  
ATOM    366  N   GLU A  24      -6.371  12.793  13.512  1.00  0.79           N  
ATOM    367  CA  GLU A  24      -7.362  11.890  14.086  1.00  0.78           C  
ATOM    368  C   GLU A  24      -6.682  10.842  14.973  1.00  0.71           C  
ATOM    369  O   GLU A  24      -7.349   9.983  15.547  1.00  0.71           O  
ATOM    370  CB  GLU A  24      -8.200  11.223  12.995  1.00  1.10           C  
ATOM    371  CG  GLU A  24      -9.075  12.201  12.211  1.00  1.10           C  
ATOM    372  CD  GLU A  24      -9.838  11.562  11.073  1.00  1.10           C  
ATOM    373  OE1 GLU A  24     -10.404  10.511  11.268  1.00  1.10           O  
ATOM    374  OE2 GLU A  24      -9.813  12.116   9.988  1.00  1.10           O  
ATOM    375  H   GLU A  24      -6.008  12.619  12.586  1.00  0.95           H  
ATOM    376  HA  GLU A  24      -8.034  12.475  14.714  1.00  0.94           H  
ATOM    377 1HB  GLU A  24      -7.556  10.706  12.306  1.00  1.32           H  
ATOM    378 2HB  GLU A  24      -8.854  10.479  13.448  1.00  1.32           H  
ATOM    379 1HG  GLU A  24      -9.792  12.641  12.901  1.00  1.32           H  
ATOM    380 2HG  GLU A  24      -8.454  13.007  11.835  1.00  1.32           H  
ATOM    381  N   ASN A  25      -5.348  10.941  15.095  1.00  0.83           N  
ATOM    382  CA  ASN A  25      -4.513  10.069  15.905  1.00  0.89           C  
ATOM    383  C   ASN A  25      -4.617   8.605  15.533  1.00  1.00           C  
ATOM    384  O   ASN A  25      -4.706   7.727  16.395  1.00  1.08           O  
ATOM    385  CB  ASN A  25      -4.827  10.276  17.374  1.00  1.22           C  
ATOM    386  CG  ASN A  25      -4.534  11.686  17.813  1.00  1.22           C  
ATOM    387  OD1 ASN A  25      -3.493  12.269  17.473  1.00  1.22           O  
ATOM    388  ND2 ASN A  25      -5.440  12.252  18.568  1.00  1.22           N  
ATOM    389  H   ASN A  25      -4.861  11.664  14.561  1.00  1.00           H  
ATOM    390  HA  ASN A  25      -3.474  10.359  15.735  1.00  1.07           H  
ATOM    391 1HB  ASN A  25      -5.870  10.051  17.574  1.00  1.46           H  
ATOM    392 2HB  ASN A  25      -4.226   9.593  17.973  1.00  1.46           H  
ATOM    393 1HD2 ASN A  25      -5.309  13.189  18.893  1.00  1.46           H  
ATOM    394 2HD2 ASN A  25      -6.268  11.748  18.818  1.00  1.46           H  
ATOM    395  N   VAL A  26      -4.593   8.348  14.240  1.00  1.13           N  
ATOM    396  CA  VAL A  26      -4.647   6.994  13.750  1.00  1.40           C  
ATOM    397  C   VAL A  26      -3.273   6.373  14.003  1.00  1.62           C  
ATOM    398  O   VAL A  26      -2.269   7.075  13.870  1.00  1.75           O  
ATOM    399  CB  VAL A  26      -4.972   6.979  12.233  1.00  1.85           C  
ATOM    400  CG1 VAL A  26      -6.287   7.711  11.998  1.00  1.85           C  
ATOM    401  CG2 VAL A  26      -3.817   7.622  11.408  1.00  1.85           C  
ATOM    402  H   VAL A  26      -4.518   9.132  13.611  1.00  1.36           H  
ATOM    403  HA  VAL A  26      -5.442   6.477  14.275  1.00  1.68           H  
ATOM    404  HB  VAL A  26      -5.110   5.948  11.906  1.00  2.22           H  
ATOM    405 1HG1 VAL A  26      -6.537   7.680  10.934  1.00  2.22           H  
ATOM    406 2HG1 VAL A  26      -7.077   7.228  12.571  1.00  2.22           H  
ATOM    407 3HG1 VAL A  26      -6.197   8.743  12.317  1.00  2.22           H  
ATOM    408 1HG2 VAL A  26      -4.068   7.603  10.355  1.00  2.22           H  
ATOM    409 2HG2 VAL A  26      -3.668   8.652  11.715  1.00  2.22           H  
ATOM    410 3HG2 VAL A  26      -2.889   7.071  11.547  1.00  2.22           H  
ATOM    411  N   PRO A  27      -3.183   5.102  14.418  1.00  1.80           N  
ATOM    412  CA  PRO A  27      -1.935   4.386  14.603  1.00  1.81           C  
ATOM    413  C   PRO A  27      -1.085   4.476  13.347  1.00  1.67           C  
ATOM    414  O   PRO A  27      -1.591   4.386  12.224  1.00  1.73           O  
ATOM    415  CB  PRO A  27      -2.413   2.970  14.913  1.00  2.72           C  
ATOM    416  CG  PRO A  27      -3.757   3.185  15.599  1.00  2.72           C  
ATOM    417  CD  PRO A  27      -4.378   4.395  14.920  1.00  2.72           C  
ATOM    418  HA  PRO A  27      -1.399   4.817  15.462  1.00  2.17           H  
ATOM    419 1HB  PRO A  27      -2.468   2.379  13.994  1.00  3.26           H  
ATOM    420 2HB  PRO A  27      -1.682   2.466  15.564  1.00  3.26           H  
ATOM    421 1HG  PRO A  27      -4.370   2.287  15.496  1.00  3.26           H  
ATOM    422 2HG  PRO A  27      -3.612   3.342  16.678  1.00  3.26           H  
ATOM    423 1HD  PRO A  27      -5.080   4.140  14.137  1.00  3.26           H  
ATOM    424 2HD  PRO A  27      -4.856   4.989  15.718  1.00  3.26           H  
ATOM    425  N   THR A  28       0.214   4.644  13.578  1.00  1.63           N  
ATOM    426  CA  THR A  28       1.227   4.840  12.545  1.00  1.70           C  
ATOM    427  C   THR A  28       2.438   3.953  12.704  1.00  1.46           C  
ATOM    428  O   THR A  28       2.723   3.466  13.800  1.00  1.34           O  
ATOM    429  CB  THR A  28       1.714   6.304  12.600  1.00  2.35           C  
ATOM    430  OG1 THR A  28       2.663   6.566  11.558  1.00  2.35           O  
ATOM    431  CG2 THR A  28       2.380   6.596  13.936  1.00  2.35           C  
ATOM    432  H   THR A  28       0.517   4.668  14.540  1.00  1.96           H  
ATOM    433  HA  THR A  28       0.779   4.628  11.573  1.00  2.04           H  
ATOM    434  HB  THR A  28       0.859   6.967  12.475  1.00  2.82           H  
ATOM    435  HG1 THR A  28       2.828   7.545  11.568  1.00  2.82           H  
ATOM    436 1HG2 THR A  28       2.702   7.637  13.955  1.00  2.82           H  
ATOM    437 2HG2 THR A  28       1.675   6.428  14.742  1.00  2.82           H  
ATOM    438 3HG2 THR A  28       3.250   5.960  14.081  1.00  2.82           H  
ATOM    439  N   GLU A  29       3.187   3.788  11.614  1.00  1.53           N  
ATOM    440  CA  GLU A  29       4.447   3.047  11.655  1.00  1.48           C  
ATOM    441  C   GLU A  29       5.645   3.938  12.009  1.00  1.62           C  
ATOM    442  O   GLU A  29       6.763   3.441  12.171  1.00  1.88           O  
ATOM    443  CB  GLU A  29       4.710   2.350  10.319  1.00  2.09           C  
ATOM    444  CG  GLU A  29       3.715   1.241   9.973  1.00  2.09           C  
ATOM    445  CD  GLU A  29       4.014   0.579   8.642  1.00  2.09           C  
ATOM    446  OE1 GLU A  29       4.904   1.035   7.963  1.00  2.09           O  
ATOM    447  OE2 GLU A  29       3.360  -0.383   8.312  1.00  2.09           O  
ATOM    448  H   GLU A  29       2.860   4.190  10.733  1.00  1.84           H  
ATOM    449  HA  GLU A  29       4.365   2.282  12.425  1.00  1.78           H  
ATOM    450 1HB  GLU A  29       4.683   3.087   9.518  1.00  2.51           H  
ATOM    451 2HB  GLU A  29       5.709   1.914  10.328  1.00  2.51           H  
ATOM    452 1HG  GLU A  29       3.741   0.489  10.759  1.00  2.51           H  
ATOM    453 2HG  GLU A  29       2.706   1.665   9.948  1.00  2.51           H  
ATOM    454  N   ALA A  30       5.414   5.244  12.105  1.00  1.57           N  
ATOM    455  CA  ALA A  30       6.477   6.196  12.409  1.00  1.85           C  
ATOM    456  C   ALA A  30       5.891   7.492  12.960  1.00  1.97           C  
ATOM    457  O   ALA A  30       5.443   7.524  14.105  1.00  2.33           O  
ATOM    458  OXT ALA A  30       6.182   8.553  12.412  1.00  2.77           O  
ATOM    459  CB  ALA A  30       7.317   6.466  11.165  1.00  2.33           C  
ATOM    460  H   ALA A  30       4.459   5.578  11.963  1.00  1.88           H  
ATOM    461  HA  ALA A  30       7.112   5.761  13.181  1.00  2.22           H  
ATOM    462 1HB  ALA A  30       8.121   7.158  11.413  1.00  2.80           H  
ATOM    463 2HB  ALA A  30       7.747   5.529  10.812  1.00  2.80           H  
ATOM    464 3HB  ALA A  30       6.711   6.891  10.384  1.00  2.80           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 -132.426 11.9199 116.198 -9.49535 2.35473 6.73102 53.6044 -57.75 -0.45712 -2.96257 -47.1403 -14.4651 -5.99697 -6.55213 -14.8895 -4.04992 0 -0.89705 1.32779 11.8503 32.2727 -7.48845 16.2817 -13.1533 -8.59647 13.3207 -60.4596
SER:NtermProteinFull_1 -1.31256 0.04255 2.43735 -0.04364 0.01215 0.07339 1.42997 -1.04501 -0 -0 -3.11154 -1.3643 0 0 -1.64749 0 0 0.06717 0.02206 0.36401 0 0 0.60641 -0.77834 0 0.05823 -4.18959
GLY_2 -2.51249 0.16346 2.813 -0.00026 0 0 0.8169 -1.35071 -0.01557 -0.09721 -1.52045 -0.21121 0 0 -0.74552 0 0 -0.06046 0 0 0 0.43418 0 0.83697 0.02939 0.12765 -1.29232
GLN_3 -5.38377 0.53052 6.19475 -0.63633 0.12804 0.66986 3.47989 -3.02383 -0 -0 -2.57112 -0.78642 0 0 -0.98402 0 0 0.00537 0.02178 0 2.12866 -0.01201 0 -0.18838 -0.01229 0.22971 -0.20959
PHE_4 -5.10233 0.52537 2.52935 -1.02765 0.18037 0.34092 1.67537 -1.89169 -0.00157 -0.03959 -0.37054 -0.45829 0 0 0 0 0 -0.0929 0.02959 0 2.57747 0.21903 0 1.0402 -0.14385 0.38126 0.37052
ALA_5 -2.85118 0.52475 1.39568 -0.02716 0.00283 0 0.85139 -1.24067 -0 -0 0.28329 -0.4317 0 0 0 0 0 -0.04157 0 0 0 -0.03873 0 1.8394 -0.38381 0.29151 0.17401
THR_6 -3.84606 0.30443 4.42967 -0.12904 0.07583 0.08582 2.18654 -2.12206 -0.06318 -0.32037 -1.40929 -1.10983 0 0 -0.46085 0 0 -0.0208 0.11404 0.05109 0 -0.46657 2.25238 -1.0874 -0.36685 0.41232 -1.49018
ASN_7 -5.05223 0.35222 4.89488 -0.37643 0.06762 0.76121 2.38527 -2.48046 -0.01901 -0.113 -2.3915 -0.7771 0 0 0 0 0 -0.08002 0.01179 0 1.75723 -0.98133 0 -0.93687 -0.49449 0.54596 -2.92626
ARG_8 -7.75105 0.59011 7.71945 -0.90972 0.2172 0.65711 2.32986 -3.5533 -0.08909 -0.45132 -1.89164 -0.01031 0 0 0 0 0 0.01567 0.01431 1.8407 0 -0.23549 0 -1.2888 -0.52843 0.44185 -2.88288
THR_9 -6.48625 0.42902 5.89408 -0.23532 0.22263 0.09348 3.42021 -3.00608 -0.02673 -0.21007 -2.61556 -1.10446 0 0 -0.75912 0 0 0.00215 0.07951 0.46807 0 0.07768 2.32383 -1.0874 -0.09057 0.45226 -2.15863
LYS_10 -3.97889 0.13243 4.20986 -0.37446 0.04789 0.17753 0.97604 -1.84475 -0.00044 -0.00116 -0.96408 0.08287 0 0 0 0 0 -0.03156 0.02059 1.77278 0 0.06586 0 -1.5107 -0.02786 0.32194 -0.9261
THR_11 -7.2002 0.73695 5.86175 -0.18234 0.07111 0.06677 3.92148 -2.91095 -0.05229 -0.36388 -3.83693 -0.03956 0 0 -0.57302 0 0 -0.05755 0.10348 0.08717 0 0.08756 4.05663 -1.0874 -0.00154 0.50172 -0.81104
LYS_12 -2.71995 0.11702 2.03714 -0.42229 0.06957 0.22488 0.54585 -0.83457 -0.00044 -0.00116 0.42059 0.09242 0 0 0 0 0 -0.11142 0.00958 1.4311 0 -0.02621 0 -1.5107 -0.2263 0.48691 -0.41797
CYS_13 -3.11837 0.50943 1.77789 -0.05339 0.01112 0.02222 0.55461 -0.91778 -0 -0 0.10041 -0.50806 0 0 0 0 0 -0.03451 0.00314 0.47346 0 0.15775 0 3.6196 -0.52198 0.28806 2.3636
THR_14 -4.24123 0.30176 4.16678 -0.10634 0.06896 0.0592 2.56295 -1.98319 -0 -0 -1.29522 -1.23131 0 0 -0.76881 -0.7823 0 -0.00268 0.11594 0.35859 0 -0.54931 2.31006 -1.0874 -0.03055 0.38505 -1.74905
GLY_15 -2.26351 0.05993 2.29304 -6e-05 0 0 0.87021 -1.15108 -0 -0 -0.66466 -0.38614 0 0 0 0 0 -0.17922 0 0 0 -1.44681 0 0.83697 -0.35545 0.2636 -2.12317
PHE_16 -4.42251 0.27335 4.95531 -0.56342 0.03115 0.26767 2.00742 -2.26142 -0.04824 -0.3323 -1.49112 0.23552 0 0 -0.76881 0 0 0.07676 0.03349 0 2.06584 -0.28436 0 1.0402 -0.61114 0.18907 0.39246
ASP_17 -4.28042 0.27824 5.64044 -0.11279 0.00938 0.32523 2.17053 -2.38991 -0.01557 -0.09721 -4.75095 -0.40434 0 0 -1.86984 0 0 -0.08536 0.09175 0 3.71442 -0.72925 0 -2.3716 -0.22182 0.28317 -4.81591
GLU_18 -5.9428 0.28931 6.89282 -0.34411 0.0489 0.66558 3.28632 -2.89811 -0.06553 -0.45332 -4.41208 -0.59342 0 0 0 -0.7823 0 -0.0165 0.06148 0 2.99403 0.06835 0 -2.7348 -0.1341 0.42043 -3.64985
THR_19 -4.94041 0.50694 2.82208 -0.16157 0.07247 0.05667 1.32357 -1.75663 -0.0294 -0.1618 -1.65613 -0.07715 0 0 0 0 0 -0.06716 1e-05 0.04288 0 0.04644 2.27708 -1.0874 -0.13868 0.38983 -2.53834
TYR_20 -9.96808 1.20489 5.35273 -0.83511 0.06601 0.17795 2.25495 -3.34496 -0 -0 -1.22095 -0.30796 0 0 -0.60454 0 0 -0.04102 0.13368 0 2.27509 0.06275 0.12892 1.2797 -0.31056 0.52724 -3.16928
ASN_21 -4.1245 0.33572 3.62451 -0.19321 0.06097 0.34727 1.47734 -1.89311 -0.00552 -0.07572 -1.27377 -1.11993 0 0 -0.9631 -0.5729 0 -0.07036 0.05311 0 2.96507 -1.04068 0 -0.93687 -0.57916 0.69566 -3.28917
TRP_22 -7.21943 0.99715 5.71551 -0.96301 0.07325 0.12877 3.08692 -2.79748 -0.00036 -0.00811 -2.67606 -0.49537 0 0 0 -0.66976 0 0.24371 0.01059 0 3.20213 -0.10171 0 1.6906 -0.62242 0.97994 0.57484
LYS_23 -3.3928 0.35259 2.57319 -0.43281 0.06985 0.23938 0.65015 -1.18573 -0 -0 0.47227 0.0867 0 0 0 0 0 -0.16543 0.03852 1.27002 0 -0.03082 0 -1.5107 -0.09001 0.86341 -0.19221
GLU_24 -3.78919 0.50891 3.6632 -0.22345 0.03767 0.34649 1.39251 -1.70145 -0 -0 -0.98207 -0.57914 0 0 0 -0.66976 0 -0.04241 0.0154 0 3.68812 -0.07693 0 -2.7348 -0.12171 0.31489 -0.95373
ASN_25 -2.54158 0.28043 2.8132 -0.19641 0.03325 0.33325 1.26599 -1.42167 -0 -0 -1.14427 -1.02334 0 0 0 0 0 -0.10484 0.01957 0 1.97962 -1.01915 0 -0.93687 -0.61284 0.23452 -2.04114
VAL_26 -4.31765 0.4084 2.00292 -0.3477 0.41781 0.07507 0.82669 -1.393 -0.00036 -0.00811 -0.26419 -0.18055 0 0 0 0 0 0.00233 0.03942 1.79629 0 -0.14535 0 1.9342 -0.40431 1.00865 1.45055
PRO_27 -4.27392 0.6637 2.36371 -0.10698 0.00077 0.08129 1.02697 -1.02394 -0 -0 -1.23613 0.29187 0 0 -0.57302 0 0 0.02576 0.15825 0.09643 0 -1.03859 0 -2.4119 -0.28296 1.22599 -5.0127
THR_28 -4.26185 0.23358 3.41031 -0.22912 0.21344 0.09491 2.08445 -1.72713 -0 -0 -1.34546 -1.18201 0 0 -0.92231 -0.5729 0 0.02881 0.1184 1.79767 0 -0.39117 2.32637 -1.0874 -0.52552 0.5667 -1.37024
GLU_29 -2.12924 0.04807 2.46563 -0.22994 0.03667 0.35907 0.84734 -0.99557 -0 -0 -0.82065 -0.58136 0 0 -0.75912 0 0 -0.05902 0.00834 0 2.92499 -0.09357 0 -2.7348 -0.51263 0.28295 -1.94284
ALA:CtermProteinFull_30 -3.00202 0.21863 3.24767 -0.0313 0.00781 0 1.89678 -1.60374 -0.02379 -0.22825 -2.50047 -0.29121 0 0 -2.48995 0 0 0 0 0 0 0 0 1.8394 -0.27403 0.15022 -3.08427
#END_POSE_ENERGIES_TABLE best_scoring0001_0001.pdb

ENDMDL

REMARK ID 699818 DOMAINID 690204 MODEL 3 LI0649-38
MODEL     3
REMARK    Rerank model03.pdb score: 16.445
REMARK    CLUSTER 0003 t000_.out.valid.rescored.best_scoring.binary cluster_size: 14 cluster_threshold: 2.150861
REMARK    SCORE     rama_prepro:          -4.569
REMARK    SCORE          fa_sol:          89.511
REMARK    SCORE     hbond_lr_bb:          -6.942
REMARK    SCORE          fa_dun:          38.300
REMARK    SCORE          fa_atr:        -117.887
REMARK    SCORE            time:           0.000
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     hbond_bb_sc:          -4.304
REMARK    SCORE    fa_intra_rep:           0.244
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE          fa_rep:          10.760
REMARK    SCORE         fa_elec:         -44.197
REMARK    SCORE fa_intra_sol_xover4:           5.784
REMARK    SCORE     total_score:         -38.273
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE     description: cluster0003_0001
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     cart_bonded:          13.709
REMARK    SCORE     lk_ball_wtd:          -5.197
REMARK    SCORE           omega:          -0.130
REMARK    SCORE           score:         -38.273
REMARK    SCORE     hbond_sr_bb:          -4.297
REMARK    SCORE        hbond_sc:          -7.062
REMARK    SCORE             ref:           2.371
REMARK    SCORE         p_aa_pp:          -4.367
ATOM      1  N   SER A   1      -0.173  -1.346   0.726  1.00  3.430          N  
ATOM      2  CA  SER A   1       1.222  -1.125   1.070  1.00  2.820          C  
ATOM      3  C   SER A   1       1.585   0.349   1.056  1.00  2.220          C  
ATOM      4  O   SER A   1       1.413   1.025   0.043  1.00  2.450          O  
ATOM      5  CB  SER A   1       2.102  -1.857   0.090  1.00  4.190          C  
ATOM      6  OG  SER A   1       1.930  -3.233   0.198  1.00  4.190          O  
ATOM      7 1H   SER A   1      -0.258  -2.257   0.295  1.00  4.120          H  
ATOM      8 2H   SER A   1      -0.741  -1.308   1.558  1.00  4.120          H  
ATOM      9 3H   SER A   1      -0.472  -0.634   0.075  1.00  4.120          H  
ATOM     10  HA  SER A   1       1.398  -1.517   2.072  1.00  3.380          H  
ATOM     11 1HB  SER A   1       1.860  -1.540  -0.923  1.00  5.030          H  
ATOM     12 2HB  SER A   1       3.131  -1.600   0.264  1.00  5.030          H  
ATOM     13  HG  SER A   1       2.632  -3.636  -0.366  1.00  5.030          H  
ATOM     14  N   GLY A   2       2.097   0.851   2.175  1.00  2.280          N  
ATOM     15  CA  GLY A   2       2.517   2.247   2.233  1.00  2.450          C  
ATOM     16  C   GLY A   2       3.932   2.380   1.689  1.00  1.840          C  
ATOM     17  O   GLY A   2       4.519   1.393   1.232  1.00  1.680          O  
ATOM     18  H   GLY A   2       2.200   0.273   2.998  1.00  2.740          H  
ATOM     19 1HA  GLY A   2       1.832   2.867   1.651  1.00  2.940          H  
ATOM     20 2HA  GLY A   2       2.480   2.600   3.262  1.00  2.940          H  
ATOM     21  N   GLN A   3       4.485   3.590   1.754  1.00  2.310          N  
ATOM     22  CA  GLN A   3       5.821   3.828   1.230  1.00  2.700          C  
ATOM     23  C   GLN A   3       6.819   2.993   2.009  1.00  2.740          C  
ATOM     24  O   GLN A   3       6.735   2.900   3.236  1.00  3.080          O  
ATOM     25  CB  GLN A   3       6.192   5.309   1.295  1.00  3.620          C  
ATOM     26  CG  GLN A   3       7.474   5.645   0.543  1.00  3.620          C  
ATOM     27  CD  GLN A   3       7.820   7.090   0.619  1.00  3.620          C  
ATOM     28  OE1 GLN A   3       7.277   7.825   1.448  1.00  3.620          O  
ATOM     29  NE2 GLN A   3       8.727   7.528  -0.240  1.00  3.620          N  
ATOM     30  H   GLN A   3       3.960   4.354   2.153  1.00  2.770          H  
ATOM     31  HA  GLN A   3       5.856   3.505   0.189  1.00  3.240          H  
ATOM     32 1HB  GLN A   3       5.387   5.909   0.881  1.00  4.350          H  
ATOM     33 2HB  GLN A   3       6.331   5.604   2.336  1.00  4.350          H  
ATOM     34 1HG  GLN A   3       8.295   5.081   0.925  1.00  4.350          H  
ATOM     35 2HG  GLN A   3       7.330   5.393  -0.507  1.00  4.350          H  
ATOM     36 1HE2 GLN A   3       8.999   8.491  -0.237  1.00  4.350          H  
ATOM     37 2HE2 GLN A   3       9.146   6.892  -0.896  1.00  4.350          H  
ATOM     38  N   PHE A   4       7.749   2.374   1.287  1.00  2.740          N  
ATOM     39  CA  PHE A   4       8.806   1.514   1.798  1.00  2.990          C  
ATOM     40  C   PHE A   4       8.320   0.182   2.345  1.00  2.110          C  
ATOM     41  O   PHE A   4       9.117  -0.611   2.809  1.00  2.090          O  
ATOM     42  CB  PHE A   4       9.603   2.190   2.920  1.00  4.090          C  
ATOM     43  CG  PHE A   4      10.115   3.554   2.616  1.00  4.090          C  
ATOM     44  CD1 PHE A   4       9.633   4.651   3.324  1.00  4.090          C  
ATOM     45  CD2 PHE A   4      11.059   3.761   1.633  1.00  4.090          C  
ATOM     46  CE1 PHE A   4      10.090   5.919   3.051  1.00  4.090          C  
ATOM     47  CE2 PHE A   4      11.515   5.026   1.356  1.00  4.090          C  
ATOM     48  CZ  PHE A   4      11.032   6.108   2.067  1.00  4.090          C  
ATOM     49  H   PHE A   4       7.767   2.509   0.271  1.00  3.290          H  
ATOM     50  HA  PHE A   4       9.475   1.303   0.978  1.00  3.590          H  
ATOM     51 1HB  PHE A   4       9.002   2.244   3.819  1.00  4.900          H  
ATOM     52 2HB  PHE A   4      10.468   1.561   3.145  1.00  4.900          H  
ATOM     53  HD1 PHE A   4       8.877   4.494   4.100  1.00  4.900          H  
ATOM     54  HD2 PHE A   4      11.447   2.910   1.067  1.00  4.900          H  
ATOM     55  HE1 PHE A   4       9.702   6.770   3.609  1.00  4.900          H  
ATOM     56  HE2 PHE A   4      12.259   5.168   0.570  1.00  4.900          H  
ATOM     57  HZ  PHE A   4      11.393   7.110   1.843  1.00  4.900          H  
ATOM     58  N   ALA A   5       7.048  -0.133   2.249  1.00  1.990          N  
ATOM     59  CA  ALA A   5       6.615  -1.401   2.803  1.00  1.720          C  
ATOM     60  C   ALA A   5       7.321  -2.551   2.115  1.00  1.590          C  
ATOM     61  O   ALA A   5       7.682  -2.451   0.933  1.00  1.930          O  
ATOM     62  CB  ALA A   5       5.120  -1.554   2.674  1.00  2.520          C  
ATOM     63  H   ALA A   5       6.364   0.511   1.836  1.00  2.390          H  
ATOM     64  HA  ALA A   5       6.885  -1.425   3.855  1.00  2.060          H  
ATOM     65 1HB  ALA A   5       4.804  -2.505   3.105  1.00  3.020          H  
ATOM     66 2HB  ALA A   5       4.630  -0.731   3.190  1.00  3.020          H  
ATOM     67 3HB  ALA A   5       4.866  -1.528   1.635  1.00  3.020          H  
ATOM     68  N   THR A   6       7.568  -3.622   2.872  1.00  1.280          N  
ATOM     69  CA  THR A   6       8.134  -4.848   2.327  1.00  1.190          C  
ATOM     70  C   THR A   6       7.119  -5.361   1.317  1.00  0.910          C  
ATOM     71  O   THR A   6       5.927  -5.423   1.636  1.00  0.910          O  
ATOM     72  CB  THR A   6       8.404  -5.895   3.441  1.00  1.700          C  
ATOM     73  OG1 THR A   6       9.323  -5.349   4.400  1.00  1.700          O  
ATOM     74  CG2 THR A   6       9.004  -7.171   2.865  1.00  1.700          C  
ATOM     75  H   THR A   6       7.295  -3.597   3.842  1.00  1.540          H  
ATOM     76  HA  THR A   6       9.071  -4.623   1.806  1.00  1.430          H  
ATOM     77  HB  THR A   6       7.466  -6.135   3.939  1.00  2.040          H  
ATOM     78  HG1 THR A   6       8.904  -4.628   4.874  1.00  2.040          H  
ATOM     79 1HG2 THR A   6       9.178  -7.879   3.671  1.00  2.040          H  
ATOM     80 2HG2 THR A   6       8.324  -7.613   2.139  1.00  2.040          H  
ATOM     81 3HG2 THR A   6       9.941  -6.947   2.386  1.00  2.040          H  
ATOM     82  N   ASN A   7       7.572  -5.709   0.115  1.00  0.920          N  
ATOM     83  CA  ASN A   7       6.657  -6.137  -0.950  1.00  1.080          C  
ATOM     84  C   ASN A   7       7.127  -7.283  -1.829  1.00  0.830          C  
ATOM     85  O   ASN A   7       8.308  -7.633  -1.872  1.00  0.760          O  
ATOM     86  CB  ASN A   7       6.271  -4.963  -1.838  1.00  1.450          C  
ATOM     87  CG  ASN A   7       5.265  -4.030  -1.219  1.00  1.450          C  
ATOM     88  OD1 ASN A   7       4.061  -4.353  -1.185  1.00  1.450          O  
ATOM     89  ND2 ASN A   7       5.701  -2.913  -0.751  1.00  1.450          N  
ATOM     90  H   ASN A   7       8.587  -5.676  -0.032  1.00  1.100          H  
ATOM     91  HA  ASN A   7       5.743  -6.484  -0.468  1.00  1.300          H  
ATOM     92 1HB  ASN A   7       7.161  -4.386  -2.050  1.00  1.740          H  
ATOM     93 2HB  ASN A   7       5.885  -5.328  -2.791  1.00  1.740          H  
ATOM     94 1HD2 ASN A   7       5.071  -2.268  -0.336  1.00  1.740          H  
ATOM     95 2HD2 ASN A   7       6.689  -2.689  -0.767  1.00  1.740          H  
ATOM     96  N   ARG A   8       6.138  -7.916  -2.468  1.00  0.970          N  
ATOM     97  CA  ARG A   8       6.325  -9.028  -3.396  1.00  0.820          C  
ATOM     98  C   ARG A   8       6.260  -8.552  -4.847  1.00  0.760          C  
ATOM     99  O   ARG A   8       5.418  -7.719  -5.195  1.00  0.910          O  
ATOM    100  CB  ARG A   8       5.235 -10.059  -3.136  1.00  1.210          C  
ATOM    101  CG  ARG A   8       5.365 -11.417  -3.818  1.00  1.210          C  
ATOM    102  CD  ARG A   8       4.207 -12.276  -3.437  1.00  1.210          C  
ATOM    103  NE  ARG A   8       4.368 -13.675  -3.835  1.00  1.210          N  
ATOM    104  CZ  ARG A   8       4.890 -14.652  -3.068  1.00  1.210          C  
ATOM    105  NH1 ARG A   8       5.329 -14.419  -1.840  1.00  1.210          N  
ATOM    106  NH2 ARG A   8       4.944 -15.857  -3.586  1.00  1.210          N  
ATOM    107  H   ARG A   8       5.195  -7.577  -2.331  1.00  1.160          H  
ATOM    108  HA  ARG A   8       7.296  -9.476  -3.225  1.00  0.980          H  
ATOM    109 1HB  ARG A   8       5.179 -10.245  -2.067  1.00  1.450          H  
ATOM    110 2HB  ARG A   8       4.278  -9.643  -3.442  1.00  1.450          H  
ATOM    111 1HG  ARG A   8       5.361 -11.297  -4.904  1.00  1.450          H  
ATOM    112 2HG  ARG A   8       6.292 -11.907  -3.513  1.00  1.450          H  
ATOM    113 1HD  ARG A   8       4.046 -12.232  -2.365  1.00  1.450          H  
ATOM    114 2HD  ARG A   8       3.320 -11.891  -3.941  1.00  1.450          H  
ATOM    115  HE  ARG A   8       4.066 -13.966  -4.782  1.00  1.450          H  
ATOM    116 1HH1 ARG A   8       5.277 -13.494  -1.448  1.00  1.450          H  
ATOM    117 2HH1 ARG A   8       5.714 -15.174  -1.290  1.00  1.450          H  
ATOM    118 1HH2 ARG A   8       4.580 -15.982  -4.550  1.00  1.450          H  
ATOM    119 2HH2 ARG A   8       5.318 -16.631  -3.062  1.00  1.450          H  
ATOM    120  N   THR A   9       7.133  -9.104  -5.685  1.00  0.590          N  
ATOM    121  CA  THR A   9       7.182  -8.839  -7.121  1.00  0.590          C  
ATOM    122  C   THR A   9       7.263 -10.148  -7.906  1.00  0.490          C  
ATOM    123  O   THR A   9       7.647 -11.191  -7.363  1.00  0.570          O  
ATOM    124  CB  THR A   9       8.408  -7.983  -7.492  1.00  0.830          C  
ATOM    125  OG1 THR A   9       9.582  -8.723  -7.202  1.00  0.830          O  
ATOM    126  CG2 THR A   9       8.442  -6.725  -6.690  1.00  0.830          C  
ATOM    127  H   THR A   9       7.811  -9.763  -5.299  1.00  0.710          H  
ATOM    128  HA  THR A   9       6.272  -8.316  -7.416  1.00  0.710          H  
ATOM    129  HB  THR A   9       8.383  -7.740  -8.551  1.00  0.990          H  
ATOM    130  HG1 THR A   9       9.653  -9.481  -7.792  1.00  0.990          H  
ATOM    131 1HG2 THR A   9       9.324  -6.147  -6.951  1.00  0.990          H  
ATOM    132 2HG2 THR A   9       7.548  -6.135  -6.885  1.00  0.990          H  
ATOM    133 3HG2 THR A   9       8.483  -6.982  -5.645  1.00  0.990          H  
ATOM    134  N   LYS A  10       6.991 -10.104  -9.205  1.00  0.550          N  
ATOM    135  CA  LYS A  10       7.099 -11.318 -10.022  1.00  0.570          C  
ATOM    136  C   LYS A  10       8.182 -11.200 -11.088  1.00  0.600          C  
ATOM    137  O   LYS A  10       8.202 -10.216 -11.836  1.00  0.700          O  
ATOM    138  CB  LYS A  10       5.748 -11.635 -10.667  1.00  0.790          C  
ATOM    139  CG  LYS A  10       5.678 -13.009 -11.371  1.00  0.790          C  
ATOM    140  CD  LYS A  10       4.284 -13.301 -12.003  1.00  0.790          C  
ATOM    141  CE  LYS A  10       3.142 -13.534 -10.960  1.00  0.790          C  
ATOM    142  NZ  LYS A  10       3.315 -14.799 -10.164  1.00  0.790          N  
ATOM    143  H   LYS A  10       6.691  -9.234  -9.630  1.00  0.660          H  
ATOM    144  HA  LYS A  10       7.373 -12.154  -9.378  1.00  0.680          H  
ATOM    145 1HB  LYS A  10       4.991 -11.602  -9.894  1.00  0.950          H  
ATOM    146 2HB  LYS A  10       5.507 -10.867 -11.400  1.00  0.950          H  
ATOM    147 1HG  LYS A  10       6.423 -13.040 -12.171  1.00  0.950          H  
ATOM    148 2HG  LYS A  10       5.927 -13.793 -10.650  1.00  0.950          H  
ATOM    149 1HD  LYS A  10       4.004 -12.461 -12.640  1.00  0.950          H  
ATOM    150 2HD  LYS A  10       4.361 -14.189 -12.630  1.00  0.950          H  
ATOM    151 1HE  LYS A  10       3.090 -12.698 -10.275  1.00  0.950          H  
ATOM    152 2HE  LYS A  10       2.199 -13.597 -11.501  1.00  0.950          H  
ATOM    153 1HZ  LYS A  10       2.549 -14.904  -9.519  1.00  0.950          H  
ATOM    154 2HZ  LYS A  10       3.343 -15.594 -10.776  1.00  0.950          H  
ATOM    155 3HZ  LYS A  10       4.185 -14.774  -9.613  1.00  0.950          H  
ATOM    156  N   THR A  11       9.069 -12.200 -11.171  1.00  0.600          N  
ATOM    157  CA  THR A  11      10.113 -12.187 -12.185  1.00  0.720          C  
ATOM    158  C   THR A  11       9.664 -13.034 -13.373  1.00  0.740          C  
ATOM    159  O   THR A  11       9.766 -14.277 -13.380  1.00  0.660          O  
ATOM    160  CB  THR A  11      11.461 -12.730 -11.628  1.00  0.960          C  
ATOM    161  OG1 THR A  11      11.902 -11.912 -10.537  1.00  0.960          O  
ATOM    162  CG2 THR A  11      12.538 -12.720 -12.710  1.00  0.960          C  
ATOM    163  H   THR A  11       9.020 -12.989 -10.518  1.00  0.720          H  
ATOM    164  HA  THR A  11      10.266 -11.164 -12.526  1.00  0.860          H  
ATOM    165  HB  THR A  11      11.316 -13.751 -11.264  1.00  1.150          H  
ATOM    166  HG1 THR A  11      12.648 -12.359 -10.053  1.00  1.150          H  
ATOM    167 1HG2 THR A  11      13.467 -13.103 -12.289  1.00  1.150          H  
ATOM    168 2HG2 THR A  11      12.242 -13.345 -13.536  1.00  1.150          H  
ATOM    169 3HG2 THR A  11      12.693 -11.703 -13.062  1.00  1.150          H  
ATOM    170  N   LYS A  12       9.207 -12.337 -14.417  1.00  0.900          N  
ATOM    171  CA  LYS A  12       8.658 -12.959 -15.619  1.00  1.020          C  
ATOM    172  C   LYS A  12       9.702 -13.789 -16.332  1.00  1.090          C  
ATOM    173  O   LYS A  12       9.413 -14.850 -16.880  1.00  1.130          O  
ATOM    174  CB  LYS A  12       8.090 -11.900 -16.557  1.00  1.380          C  
ATOM    175  CG  LYS A  12       6.812 -11.236 -16.046  1.00  1.380          C  
ATOM    176  CD  LYS A  12       6.305 -10.176 -17.025  1.00  1.380          C  
ATOM    177  CE  LYS A  12       5.027  -9.511 -16.519  1.00  1.380          C  
ATOM    178  NZ  LYS A  12       4.544  -8.448 -17.450  1.00  1.380          N  
ATOM    179  H   LYS A  12       9.200 -11.325 -14.343  1.00  1.080          H  
ATOM    180  HA  LYS A  12       7.846 -13.628 -15.322  1.00  1.220          H  
ATOM    181 1HB  LYS A  12       8.835 -11.120 -16.717  1.00  1.660          H  
ATOM    182 2HB  LYS A  12       7.875 -12.351 -17.526  1.00  1.660          H  
ATOM    183 1HG  LYS A  12       6.043 -11.997 -15.911  1.00  1.660          H  
ATOM    184 2HG  LYS A  12       7.006 -10.771 -15.077  1.00  1.660          H  
ATOM    185 1HD  LYS A  12       7.071  -9.412 -17.164  1.00  1.660          H  
ATOM    186 2HD  LYS A  12       6.102 -10.641 -17.990  1.00  1.660          H  
ATOM    187 1HE  LYS A  12       4.251 -10.267 -16.413  1.00  1.660          H  
ATOM    188 2HE  LYS A  12       5.221  -9.064 -15.543  1.00  1.660          H  
ATOM    189 1HZ  LYS A  12       3.700  -8.034 -17.080  1.00  1.660          H  
ATOM    190 2HZ  LYS A  12       5.253  -7.734 -17.547  1.00  1.660          H  
ATOM    191 3HZ  LYS A  12       4.350  -8.853 -18.355  1.00  1.660          H  
ATOM    192  N   CYS A  13      10.936 -13.304 -16.273  1.00  1.180          N  
ATOM    193  CA  CYS A  13      12.077 -13.930 -16.910  1.00  1.330          C  
ATOM    194  C   CYS A  13      12.450 -15.299 -16.346  1.00  1.180          C  
ATOM    195  O   CYS A  13      13.176 -16.044 -17.009  1.00  1.300          O  
ATOM    196  CB  CYS A  13      13.290 -13.019 -16.781  1.00  1.800          C  
ATOM    197  SG  CYS A  13      13.105 -11.458 -17.651  1.00  1.800          S  
ATOM    198  H   CYS A  13      11.063 -12.409 -15.824  1.00  1.420          H  
ATOM    199  HA  CYS A  13      11.843 -14.049 -17.967  1.00  1.600          H  
ATOM    200 1HB  CYS A  13      13.480 -12.808 -15.732  1.00  2.160          H  
ATOM    201 2HB  CYS A  13      14.167 -13.528 -17.178  1.00  2.160          H  
ATOM    202  HG  CYS A  13      12.912 -11.998 -18.851  1.00  2.160          H  
ATOM    203  N   THR A  14      12.015 -15.627 -15.123  1.00  0.970          N  
ATOM    204  CA  THR A  14      12.357 -16.919 -14.551  1.00  0.910          C  
ATOM    205  C   THR A  14      11.111 -17.725 -14.162  1.00  0.740          C  
ATOM    206  O   THR A  14      11.183 -18.951 -14.060  1.00  0.770          O  
ATOM    207  CB  THR A  14      13.284 -16.756 -13.331  1.00  1.300          C  
ATOM    208  OG1 THR A  14      12.601 -16.021 -12.308  1.00  1.300          O  
ATOM    209  CG2 THR A  14      14.538 -15.996 -13.730  1.00  1.300          C  
ATOM    210  H   THR A  14      11.413 -15.011 -14.581  1.00  1.160          H  
ATOM    211  HA  THR A  14      12.894 -17.496 -15.301  1.00  1.090          H  
ATOM    212  HB  THR A  14      13.562 -17.736 -12.951  1.00  1.560          H  
ATOM    213  HG1 THR A  14      13.105 -16.053 -11.486  1.00  1.560          H  
ATOM    214 1HG2 THR A  14      15.186 -15.888 -12.863  1.00  1.560          H  
ATOM    215 2HG2 THR A  14      15.061 -16.549 -14.510  1.00  1.560          H  
ATOM    216 3HG2 THR A  14      14.275 -15.012 -14.104  1.00  1.560          H  
ATOM    217  N   GLY A  15       9.951 -17.060 -14.022  1.00  0.680          N  
ATOM    218  CA  GLY A  15       8.724 -17.737 -13.604  1.00  0.690          C  
ATOM    219  C   GLY A  15       8.606 -17.905 -12.087  1.00  0.770          C  
ATOM    220  O   GLY A  15       7.969 -18.850 -11.612  1.00  1.030          O  
ATOM    221  H   GLY A  15       9.929 -16.050 -14.115  1.00  0.820          H  
ATOM    222 1HA  GLY A  15       7.873 -17.162 -13.968  1.00  0.830          H  
ATOM    223 2HA  GLY A  15       8.674 -18.711 -14.083  1.00  0.830          H  
ATOM    224  N   PHE A  16       9.260 -17.019 -11.332  1.00  0.690          N  
ATOM    225  CA  PHE A  16       9.247 -17.100  -9.865  1.00  0.860          C  
ATOM    226  C   PHE A  16       8.874 -15.805  -9.173  1.00  0.670          C  
ATOM    227  O   PHE A  16       9.153 -14.715  -9.677  1.00  0.560          O  
ATOM    228  CB  PHE A  16      10.606 -17.538  -9.321  1.00  1.140          C  
ATOM    229  CG  PHE A  16      11.000 -18.925  -9.694  1.00  1.140          C  
ATOM    230  CD1 PHE A  16      11.642 -19.165 -10.869  1.00  1.140          C  
ATOM    231  CD2 PHE A  16      10.728 -19.993  -8.854  1.00  1.140          C  
ATOM    232  CE1 PHE A  16      12.013 -20.428 -11.234  1.00  1.140          C  
ATOM    233  CE2 PHE A  16      11.100 -21.274  -9.207  1.00  1.140          C  
ATOM    234  CZ  PHE A  16      11.744 -21.489 -10.407  1.00  1.140          C  
ATOM    235  H   PHE A  16       9.705 -16.229 -11.816  1.00  0.830          H  
ATOM    236  HA  PHE A  16       8.510 -17.852  -9.578  1.00  1.030          H  
ATOM    237 1HB  PHE A  16      11.370 -16.858  -9.696  1.00  1.360          H  
ATOM    238 2HB  PHE A  16      10.608 -17.454  -8.230  1.00  1.360          H  
ATOM    239  HD1 PHE A  16      11.844 -18.337 -11.518  1.00  1.360          H  
ATOM    240  HD2 PHE A  16      10.217 -19.814  -7.907  1.00  1.360          H  
ATOM    241  HE1 PHE A  16      12.515 -20.583 -12.190  1.00  1.360          H  
ATOM    242  HE2 PHE A  16      10.883 -22.112  -8.546  1.00  1.360          H  
ATOM    243  HZ  PHE A  16      12.038 -22.494 -10.699  1.00  1.360          H  
ATOM    244  N   ASP A  17       8.272 -15.926  -7.993  1.00  0.740          N  
ATOM    245  CA  ASP A  17       8.011 -14.734  -7.203  1.00  0.650          C  
ATOM    246  C   ASP A  17       9.227 -14.436  -6.340  1.00  0.650          C  
ATOM    247  O   ASP A  17       9.938 -15.350  -5.914  1.00  0.810          O  
ATOM    248  CB  ASP A  17       6.782 -14.887  -6.323  1.00  0.950          C  
ATOM    249  CG  ASP A  17       5.437 -15.015  -7.112  1.00  0.950          C  
ATOM    250  OD1 ASP A  17       5.438 -14.887  -8.329  1.00  0.950          O  
ATOM    251  OD2 ASP A  17       4.418 -15.233  -6.473  1.00  0.950          O  
ATOM    252  H   ASP A  17       8.021 -16.838  -7.638  1.00  0.890          H  
ATOM    253  HA  ASP A  17       7.852 -13.890  -7.868  1.00  0.780          H  
ATOM    254 1HB  ASP A  17       6.908 -15.758  -5.689  1.00  1.140          H  
ATOM    255 2HB  ASP A  17       6.719 -14.012  -5.669  1.00  1.140          H  
ATOM    256  N   GLU A  18       9.427 -13.157  -6.043  1.00  0.570          N  
ATOM    257  CA  GLU A  18      10.511 -12.679  -5.185  1.00  0.680          C  
ATOM    258  C   GLU A  18       9.997 -11.595  -4.246  1.00  0.510          C  
ATOM    259  O   GLU A  18       8.996 -10.944  -4.540  1.00  0.500          O  
ATOM    260  CB  GLU A  18      11.657 -12.093  -6.023  1.00  0.910          C  
ATOM    261  CG  GLU A  18      12.326 -13.054  -7.027  1.00  0.910          C  
ATOM    262  CD  GLU A  18      13.475 -12.395  -7.767  1.00  0.910          C  
ATOM    263  OE1 GLU A  18      13.939 -11.381  -7.302  1.00  0.910          O  
ATOM    264  OE2 GLU A  18      13.878 -12.903  -8.798  1.00  0.910          O  
ATOM    265  H   GLU A  18       8.790 -12.471  -6.456  1.00  0.680          H  
ATOM    266  HA  GLU A  18      10.884 -13.510  -4.584  1.00  0.820          H  
ATOM    267 1HB  GLU A  18      11.279 -11.240  -6.594  1.00  1.090          H  
ATOM    268 2HB  GLU A  18      12.432 -11.713  -5.356  1.00  1.090          H  
ATOM    269 1HG  GLU A  18      12.688 -13.934  -6.496  1.00  1.090          H  
ATOM    270 2HG  GLU A  18      11.579 -13.382  -7.753  1.00  1.090          H  
ATOM    271  N   THR A  19      10.673 -11.370  -3.126  1.00  0.630          N  
ATOM    272  CA  THR A  19      10.279 -10.257  -2.267  1.00  0.560          C  
ATOM    273  C   THR A  19      11.468  -9.352  -2.032  1.00  0.440          C  
ATOM    274  O   THR A  19      12.614  -9.772  -2.205  1.00  0.590          O  
ATOM    275  CB  THR A  19       9.736 -10.745  -0.908  1.00  0.810          C  
ATOM    276  OG1 THR A  19      10.780 -11.433  -0.197  1.00  0.810          O  
ATOM    277  CG2 THR A  19       8.549 -11.698  -1.119  1.00  0.810          C  
ATOM    278  H   THR A  19      11.472 -11.939  -2.878  1.00  0.760          H  
ATOM    279  HA  THR A  19       9.517  -9.666  -2.765  1.00  0.670          H  
ATOM    280  HB  THR A  19       9.407  -9.885  -0.321  1.00  0.970          H  
ATOM    281  HG1 THR A  19      11.448 -10.800   0.093  1.00  0.970          H  
ATOM    282 1HG2 THR A  19       8.178 -12.029  -0.153  1.00  0.970          H  
ATOM    283 2HG2 THR A  19       7.765 -11.179  -1.648  1.00  0.970          H  
ATOM    284 3HG2 THR A  19       8.864 -12.562  -1.697  1.00  0.970          H  
ATOM    285  N   TYR A  20      11.198  -8.124  -1.591  1.00  0.420          N  
ATOM    286  CA  TYR A  20      12.274  -7.195  -1.256  1.00  0.480          C  
ATOM    287  C   TYR A  20      11.912  -6.382  -0.015  1.00  0.610          C  
ATOM    288  O   TYR A  20      10.735  -6.125   0.267  1.00  0.700          O  
ATOM    289  CB  TYR A  20      12.563  -6.295  -2.463  1.00  0.650          C  
ATOM    290  CG  TYR A  20      11.461  -5.306  -2.820  1.00  0.650          C  
ATOM    291  CD1 TYR A  20      11.532  -4.006  -2.352  1.00  0.650          C  
ATOM    292  CD2 TYR A  20      10.385  -5.692  -3.598  1.00  0.650          C  
ATOM    293  CE1 TYR A  20      10.558  -3.086  -2.674  1.00  0.650          C  
ATOM    294  CE2 TYR A  20       9.409  -4.772  -3.899  1.00  0.650          C  
ATOM    295  CZ  TYR A  20       9.498  -3.475  -3.459  1.00  0.650          C  
ATOM    296  OH  TYR A  20       8.507  -2.579  -3.824  1.00  0.650          O  
ATOM    297  H   TYR A  20      10.217  -7.843  -1.512  1.00  0.500          H  
ATOM    298  HA  TYR A  20      13.178  -7.762  -1.026  1.00  0.580          H  
ATOM    299 1HB  TYR A  20      13.475  -5.736  -2.284  1.00  0.780          H  
ATOM    300 2HB  TYR A  20      12.746  -6.921  -3.338  1.00  0.780          H  
ATOM    301  HD1 TYR A  20      12.369  -3.703  -1.733  1.00  0.780          H  
ATOM    302  HD2 TYR A  20      10.308  -6.715  -3.965  1.00  0.780          H  
ATOM    303  HE1 TYR A  20      10.634  -2.062  -2.313  1.00  0.780          H  
ATOM    304  HE2 TYR A  20       8.563  -5.057  -4.502  1.00  0.780          H  
ATOM    305  HH  TYR A  20       8.795  -1.650  -3.651  1.00  0.780          H  
ATOM    306  N   ASN A  21      12.945  -5.931   0.696  1.00  0.790          N  
ATOM    307  CA  ASN A  21      12.802  -5.172   1.939  1.00  1.060          C  
ATOM    308  C   ASN A  21      12.633  -3.661   1.815  1.00  1.020          C  
ATOM    309  O   ASN A  21      12.674  -3.092   0.726  1.00  0.800          O  
ATOM    310  CB  ASN A  21      13.947  -5.524   2.866  1.00  1.380          C  
ATOM    311  CG  ASN A  21      13.815  -6.930   3.383  1.00  1.380          C  
ATOM    312  OD1 ASN A  21      12.720  -7.376   3.747  1.00  1.380          O  
ATOM    313  ND2 ASN A  21      14.908  -7.639   3.422  1.00  1.380          N  
ATOM    314  H   ASN A  21      13.899  -6.166   0.379  1.00  0.950          H  
ATOM    315  HA  ASN A  21      11.890  -5.524   2.423  1.00  1.270          H  
ATOM    316 1HB  ASN A  21      14.887  -5.441   2.317  1.00  1.650          H  
ATOM    317 2HB  ASN A  21      13.999  -4.843   3.709  1.00  1.650          H  
ATOM    318 1HD2 ASN A  21      14.879  -8.581   3.757  1.00  1.650          H  
ATOM    319 2HD2 ASN A  21      15.780  -7.245   3.121  1.00  1.650          H  
ATOM    320  N   TRP A  22      12.503  -3.033   2.983  1.00  1.310          N  
ATOM    321  CA  TRP A  22      12.240  -1.610   3.214  1.00  1.400          C  
ATOM    322  C   TRP A  22      13.190  -0.620   2.532  1.00  1.280          C  
ATOM    323  O   TRP A  22      12.810   0.517   2.255  1.00  1.290          O  
ATOM    324  CB  TRP A  22      12.333  -1.388   4.737  1.00  1.920          C  
ATOM    325  CG  TRP A  22      11.220  -2.064   5.535  1.00  1.920          C  
ATOM    326  CD1 TRP A  22      11.292  -3.297   6.127  1.00  1.920          C  
ATOM    327  CD2 TRP A  22       9.913  -1.533   5.892  1.00  1.920          C  
ATOM    328  NE1 TRP A  22      10.115  -3.585   6.769  1.00  1.920          N  
ATOM    329  CE2 TRP A  22       9.260  -2.516   6.631  1.00  1.920          C  
ATOM    330  CE3 TRP A  22       9.263  -0.328   5.645  1.00  1.920          C  
ATOM    331  CZ2 TRP A  22       7.972  -2.335   7.111  1.00  1.920          C  
ATOM    332  CZ3 TRP A  22       7.979  -0.138   6.117  1.00  1.920          C  
ATOM    333  CH2 TRP A  22       7.344  -1.118   6.828  1.00  1.920          C  
ATOM    334  H   TRP A  22      12.505  -3.618   3.804  1.00  1.570          H  
ATOM    335  HA  TRP A  22      11.240  -1.412   2.869  1.00  1.680          H  
ATOM    336 1HB  TRP A  22      13.289  -1.758   5.100  1.00  2.310          H  
ATOM    337 2HB  TRP A  22      12.301  -0.320   4.944  1.00  2.310          H  
ATOM    338  HD1 TRP A  22      12.152  -3.967   6.084  1.00  2.310          H  
ATOM    339  HE1 TRP A  22       9.918  -4.444   7.266  1.00  2.310          H  
ATOM    340  HE3 TRP A  22       9.759   0.441   5.083  1.00  2.310          H  
ATOM    341  HZ2 TRP A  22       7.455  -3.101   7.691  1.00  2.310          H  
ATOM    342  HZ3 TRP A  22       7.485   0.812   5.901  1.00  2.310          H  
ATOM    343  HH2 TRP A  22       6.331  -0.940   7.185  1.00  2.310          H  
ATOM    344  N   LYS A  23      14.432  -1.026   2.291  1.00  1.260          N  
ATOM    345  CA  LYS A  23      15.404  -0.146   1.661  1.00  1.200          C  
ATOM    346  C   LYS A  23      15.871  -0.648   0.296  1.00  0.910          C  
ATOM    347  O   LYS A  23      16.845  -0.131  -0.255  1.00  0.900          O  
ATOM    348  CB  LYS A  23      16.598   0.062   2.589  1.00  1.700          C  
ATOM    349  CG  LYS A  23      16.237   0.773   3.889  1.00  1.700          C  
ATOM    350  CD  LYS A  23      17.460   1.014   4.758  1.00  1.700          C  
ATOM    351  CE  LYS A  23      17.088   1.741   6.044  1.00  1.700          C  
ATOM    352  NZ  LYS A  23      18.271   1.961   6.923  1.00  1.700          N  
ATOM    353  H   LYS A  23      14.714  -1.960   2.547  1.00  1.510          H  
ATOM    354  HA  LYS A  23      14.932   0.823   1.497  1.00  1.440          H  
ATOM    355 1HB  LYS A  23      17.037  -0.903   2.839  1.00  2.040          H  
ATOM    356 2HB  LYS A  23      17.360   0.651   2.079  1.00  2.040          H  
ATOM    357 1HG  LYS A  23      15.767   1.729   3.654  1.00  2.040          H  
ATOM    358 2HG  LYS A  23      15.521   0.168   4.441  1.00  2.040          H  
ATOM    359 1HD  LYS A  23      17.923   0.060   5.009  1.00  2.040          H  
ATOM    360 2HD  LYS A  23      18.182   1.616   4.206  1.00  2.040          H  
ATOM    361 1HE  LYS A  23      16.652   2.707   5.792  1.00  2.040          H  
ATOM    362 2HE  LYS A  23      16.350   1.151   6.586  1.00  2.040          H  
ATOM    363 1HZ  LYS A  23      17.981   2.446   7.761  1.00  2.040          H  
ATOM    364 2HZ  LYS A  23      18.678   1.071   7.174  1.00  2.040          H  
ATOM    365 3HZ  LYS A  23      18.958   2.519   6.434  1.00  2.040          H  
ATOM    366  N   GLU A  24      15.224  -1.681  -0.235  1.00  0.750          N  
ATOM    367  CA  GLU A  24      15.648  -2.219  -1.517  1.00  0.640          C  
ATOM    368  C   GLU A  24      14.744  -1.703  -2.619  1.00  0.590          C  
ATOM    369  O   GLU A  24      13.536  -1.720  -2.475  1.00  0.680          O  
ATOM    370  CB  GLU A  24      15.624  -3.748  -1.476  1.00  0.940          C  
ATOM    371  CG  GLU A  24      16.633  -4.368  -0.500  1.00  0.940          C  
ATOM    372  CD  GLU A  24      16.642  -5.894  -0.496  1.00  0.940          C  
ATOM    373  OE1 GLU A  24      15.645  -6.502  -0.131  1.00  0.940          O  
ATOM    374  OE2 GLU A  24      17.650  -6.449  -0.869  1.00  0.940          O  
ATOM    375  H   GLU A  24      14.397  -2.072   0.226  1.00  0.900          H  
ATOM    376  HA  GLU A  24      16.665  -1.891  -1.721  1.00  0.770          H  
ATOM    377 1HB  GLU A  24      14.637  -4.070  -1.158  1.00  1.130          H  
ATOM    378 2HB  GLU A  24      15.801  -4.153  -2.473  1.00  1.130          H  
ATOM    379 1HG  GLU A  24      17.629  -4.009  -0.756  1.00  1.130          H  
ATOM    380 2HG  GLU A  24      16.400  -4.010   0.503  1.00  1.130          H  
ATOM    381  N   ASN A  25      15.316  -1.337  -3.762  1.00  0.740          N  
ATOM    382  CA  ASN A  25      14.493  -0.871  -4.878  1.00  0.900          C  
ATOM    383  C   ASN A  25      14.506  -1.837  -6.064  1.00  1.040          C  
ATOM    384  O   ASN A  25      14.253  -1.434  -7.202  1.00  1.250          O  
ATOM    385  CB  ASN A  25      14.935   0.506  -5.316  1.00  1.200          C  
ATOM    386  CG  ASN A  25      14.709   1.575  -4.251  1.00  1.200          C  
ATOM    387  OD1 ASN A  25      13.596   1.886  -3.789  1.00  1.200          O  
ATOM    388  ND2 ASN A  25      15.802   2.170  -3.841  1.00  1.200          N  
ATOM    389  H   ASN A  25      16.324  -1.345  -3.835  1.00  0.890          H  
ATOM    390  HA  ASN A  25      13.462  -0.806  -4.536  1.00  1.080          H  
ATOM    391 1HB  ASN A  25      15.993   0.479  -5.572  1.00  1.440          H  
ATOM    392 2HB  ASN A  25      14.389   0.792  -6.217  1.00  1.440          H  
ATOM    393 1HD2 ASN A  25      15.748   2.886  -3.143  1.00  1.440          H  
ATOM    394 2HD2 ASN A  25      16.690   1.912  -4.221  1.00  1.440          H  
ATOM    395  N   VAL A  26      14.886  -3.081  -5.804  1.00  1.070          N  
ATOM    396  CA  VAL A  26      14.960  -4.106  -6.833  1.00  1.330          C  
ATOM    397  C   VAL A  26      14.210  -5.378  -6.429  1.00  1.480          C  
ATOM    398  O   VAL A  26      14.455  -5.905  -5.349  1.00  1.590          O  
ATOM    399  CB  VAL A  26      16.436  -4.458  -7.131  1.00  1.760          C  
ATOM    400  CG1 VAL A  26      16.534  -5.574  -8.180  1.00  1.760          C  
ATOM    401  CG2 VAL A  26      17.152  -3.215  -7.633  1.00  1.760          C  
ATOM    402  H   VAL A  26      15.086  -3.322  -4.843  1.00  1.280          H  
ATOM    403  HA  VAL A  26      14.533  -3.693  -7.740  1.00  1.600          H  
ATOM    404  HB  VAL A  26      16.914  -4.818  -6.219  1.00  2.110          H  
ATOM    405 1HG1 VAL A  26      17.584  -5.798  -8.365  1.00  2.110          H  
ATOM    406 2HG1 VAL A  26      16.041  -6.479  -7.828  1.00  2.110          H  
ATOM    407 3HG1 VAL A  26      16.071  -5.244  -9.106  1.00  2.110          H  
ATOM    408 1HG2 VAL A  26      18.193  -3.455  -7.841  1.00  2.110          H  
ATOM    409 2HG2 VAL A  26      16.668  -2.865  -8.545  1.00  2.110          H  
ATOM    410 3HG2 VAL A  26      17.113  -2.432  -6.886  1.00  2.110          H  
ATOM    411  N   PRO A  27      13.354  -5.934  -7.310  1.00  1.670          N  
ATOM    412  CA  PRO A  27      12.876  -5.489  -8.627  1.00  1.750          C  
ATOM    413  C   PRO A  27      12.067  -4.186  -8.706  1.00  1.760          C  
ATOM    414  O   PRO A  27      12.016  -3.582  -9.776  1.00  1.920          O  
ATOM    415  CB  PRO A  27      12.012  -6.680  -9.069  1.00  2.620          C  
ATOM    416  CG  PRO A  27      12.535  -7.849  -8.267  1.00  2.620          C  
ATOM    417  CD  PRO A  27      12.868  -7.257  -6.935  1.00  2.620          C  
ATOM    418  HA  PRO A  27      13.738  -5.413  -9.302  1.00  2.100          H  
ATOM    419 1HB  PRO A  27      10.954  -6.469  -8.864  1.00  3.150          H  
ATOM    420 2HB  PRO A  27      12.103  -6.832 -10.153  1.00  3.150          H  
ATOM    421 1HG  PRO A  27      11.801  -8.655  -8.208  1.00  3.150          H  
ATOM    422 2HG  PRO A  27      13.420  -8.286  -8.758  1.00  3.150          H  
ATOM    423 1HD  PRO A  27      11.964  -7.173  -6.306  1.00  3.150          H  
ATOM    424 2HD  PRO A  27      13.661  -7.842  -6.438  1.00  3.150          H  
ATOM    425  N   THR A  28      11.447  -3.745  -7.605  1.00  1.750          N  
ATOM    426  CA  THR A  28      10.661  -2.505  -7.644  1.00  1.980          C  
ATOM    427  C   THR A  28      10.985  -1.586  -6.479  1.00  1.720          C  
ATOM    428  O   THR A  28      11.544  -2.007  -5.473  1.00  1.510          O  
ATOM    429  CB  THR A  28       9.136  -2.777  -7.695  1.00  2.680          C  
ATOM    430  OG1 THR A  28       8.705  -3.434  -6.506  1.00  2.680          O  
ATOM    431  CG2 THR A  28       8.797  -3.661  -8.891  1.00  2.680          C  
ATOM    432  H   THR A  28      11.474  -4.257  -6.735  1.00  2.100          H  
ATOM    433  HA  THR A  28      10.921  -1.959  -8.552  1.00  2.380          H  
ATOM    434  HB  THR A  28       8.603  -1.828  -7.790  1.00  3.220          H  
ATOM    435  HG1 THR A  28       8.724  -2.826  -5.735  1.00  3.220          H  
ATOM    436 1HG2 THR A  28       7.724  -3.833  -8.920  1.00  3.220          H  
ATOM    437 2HG2 THR A  28       9.110  -3.161  -9.808  1.00  3.220          H  
ATOM    438 3HG2 THR A  28       9.304  -4.610  -8.811  1.00  3.220          H  
ATOM    439  N   GLU A  29      10.588  -0.327  -6.609  1.00  1.810          N  
ATOM    440  CA  GLU A  29      10.825   0.706  -5.610  1.00  1.660          C  
ATOM    441  C   GLU A  29      10.200   0.490  -4.235  1.00  1.790          C  
ATOM    442  O   GLU A  29       9.076  -0.013  -4.098  1.00  2.090          O  
ATOM    443  CB  GLU A  29      10.356   2.050  -6.167  1.00  2.380          C  
ATOM    444  CG  GLU A  29      11.149   2.517  -7.391  1.00  2.380          C  
ATOM    445  CD  GLU A  29      10.626   1.937  -8.688  1.00  2.380          C  
ATOM    446  OE1 GLU A  29       9.697   1.155  -8.628  1.00  2.380          O  
ATOM    447  OE2 GLU A  29      11.153   2.254  -9.721  1.00  2.380          O  
ATOM    448  H   GLU A  29      10.112  -0.052  -7.473  1.00  2.170          H  
ATOM    449  HA  GLU A  29      11.898   0.771  -5.465  1.00  1.990          H  
ATOM    450 1HB  GLU A  29       9.302   1.992  -6.431  1.00  2.860          H  
ATOM    451 2HB  GLU A  29      10.458   2.812  -5.390  1.00  2.860          H  
ATOM    452 1HG  GLU A  29      11.108   3.604  -7.447  1.00  2.860          H  
ATOM    453 2HG  GLU A  29      12.192   2.225  -7.263  1.00  2.860          H  
ATOM    454  N   ALA A  30      10.943   0.929  -3.224  1.00  1.700          N  
ATOM    455  CA  ALA A  30      10.516   0.937  -1.837  1.00  1.950          C  
ATOM    456  C   ALA A  30       9.888   2.305  -1.566  1.00  1.980          C  
ATOM    457  O   ALA A  30       8.674   2.417  -1.372  1.00  2.170          O  
ATOM    458  OXT ALA A  30      10.559   3.312  -1.778  1.00  2.920          O  
ATOM    459  CB  ALA A  30      11.700   0.663  -0.907  1.00  2.480          C  
ATOM    460  H   ALA A  30      11.867   1.300  -3.447  1.00  2.040          H  
ATOM    461  HA  ALA A  30       9.758   0.170  -1.688  1.00  2.340          H  
ATOM    462 1HB  ALA A  30      11.385   0.668   0.122  1.00  2.980          H  
ATOM    463 2HB  ALA A  30      12.114  -0.312  -1.135  1.00  2.980          H  
ATOM    464 3HB  ALA A  30      12.468   1.418  -1.052  1.00  2.980          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 -117.882 10.7653 99.0793 -7.9817 1.59907 6.58563 46.9607 -52.0767 -0.1706 -1.32689 -48.7805 -9.77336 -4.86902 -7.86397 -4.79759 -6.88027 0 -0.15792 1.3384 11.9919 30.8985 -4.44087 14.5533 -13.1533 -5.06981 13.4855 -47.9672
SER:NtermProteinFull_1 -1.33197 0.10637 0.91761 -0.03466 0.00137 0.02534 0.56132 -0.5017 -0 -0 -0.72658 -1.20037 0 0 0 -0.81539 0 -0.01936 0.0005 0.53995 0 0 0.6433 -0.77834 0 0.07722 -2.53539
GLY_2 -1.47555 0.0531 1.83134 -0.00033 0 0 1.02013 -0.97061 -0.01442 -0.14828 -1.46783 -0.16214 0 0 0 0 0 -0.10021 0 0 0 -0.66308 0 0.83697 -0.02611 0.10317 -1.18386
GLN_3 -3.33095 0.55687 1.99651 -0.31465 0.0439 0.17439 0.66259 -1.20188 -0.01392 -0.13689 -0.74997 -0.02819 0 0 0 0 0 -0.04529 0.1696 0 2.77682 0.11269 0 -0.18838 -0.2832 0.1738 0.37385
PHE_4 -6.54159 1.33864 3.64721 -0.6156 0.04246 0.38566 1.66391 -2.36449 -0 -0 -2.46007 -0.06827 0 0 0 0 0 0.03202 0.11477 0 1.88575 0.15707 0 1.0402 0.01708 0.61393 -1.1113
ALA_5 -4.22753 0.52363 2.97993 -0.02335 0 0 1.54318 -2.1223 -0 -0 -1.35669 -0.17418 0 0 -0.01088 0 0 0.04926 0 0 0 -0.16999 0 1.8394 -0.16509 0.5983 -0.71631
THR_6 -3.84997 0.23258 3.20951 -0.15945 0.04734 0.05702 1.32337 -1.80762 -0 -0 -0.56392 0.0818 0 0 0 0 0 0.06815 0.0038 0.05706 0 0.04066 2.31898 -1.0874 -0.63982 0.36773 -0.30016
ASN_7 -5.30083 0.3454 5.21439 -0.15944 0.00245 0.21435 3.16907 -2.71101 -0.03213 -0.24326 -2.82836 -0.6945 0 0 -0.01088 -0.81539 0 0.00979 0.24085 0 2.29299 0.44142 0 -0.93687 -0.02108 0.63611 -1.18692
ARG_8 -3.98206 0.27727 3.13341 -0.63365 0.10129 0.36502 1.12003 -1.47538 -0.01917 -0.1158 -2.15956 0.47076 0 0 0 -1.17214 0 -0.00819 0.48845 2.97153 0 0.00323 0 -1.2888 0.13073 0.72361 -1.06944
THR_9 -4.99298 0.44599 4.11067 -0.11894 0.08234 0.08603 2.5395 -2.04351 -0.00604 -0.05363 -2.24796 -0.57891 0 0 0 0 0 -0.00493 0.00012 0.09826 0 -0.46301 2.31049 -1.0874 -0.30358 0.47843 -1.74906
LYS_10 -2.74149 0.14053 3.43949 -0.54309 0.20095 0.29111 1.44877 -1.38067 -0.00193 -0.00474 -3.34832 0.40597 0 0 0 -0.75921 0 -0.03359 0.02783 2.82955 0 0.31771 0 -1.5107 -0.2181 0.35647 -1.08346
THR_11 -5.00278 0.24179 5.40959 -0.18405 0.11224 0.07925 3.26934 -2.56136 -0.01143 -0.08682 -4.14418 -0.02062 0 0 0 -0.32031 0 -0.05897 0.00131 0.11162 0 0.53831 2.29123 -1.0874 0.50844 0.41486 -0.49993
LYS_12 -2.06854 0.12022 2.20673 -0.30518 0.02794 0.1369 0.69314 -1.05776 -0 -0 0.2798 -0.0116 0 0 0 0 0 -0.06049 0.00033 1.75275 0 -0.0569 0 -1.5107 0.18481 0.32915 0.66058
CYS_13 -2.0417 0.20942 1.36747 -0.05252 0.00305 0.02069 0.15657 -0.83692 -0 -0 0.19872 -0.46445 0 0 0 0 0 -0.07422 0.01936 0.59097 0 0.25572 0 3.6196 -0.48551 0.30486 2.7911
THR_14 -3.77636 0.41124 3.21059 -0.10947 0.06377 0.0598 1.61179 -1.70542 -0.01832 -0.14409 0.10007 -1.17063 0 0 0 0 0 -0.03152 0.00444 0.17235 0 -0.6855 2.2839 -1.0874 -0.23044 0.36466 -0.67653
GLY_15 -1.95647 0.08035 2.09455 -5e-05 0 0 0.95756 -1.12492 -0 -0 -0.19658 -0.36295 0 0 0 0 0 -0.15273 0 0 0 -1.40881 0 0.83697 -0.20785 0.31631 -1.12462
PHE_16 -4.12873 0.27061 4.29921 -0.57522 0.05751 0.2884 1.88342 -2.06785 -0.01911 -0.10725 -1.69427 0.03865 0 0 0 0 0 0.07336 0.05371 0 1.8999 -0.28138 0 1.0402 -0.35343 0.33586 1.01358
ASP_17 -3.73333 0.17364 5.13581 -0.10191 0.00298 0.30012 2.43809 -1.97821 -0.00193 -0.00474 -5.24938 0.17872 0 0 0 -1.93135 0 -0.01259 0.02599 0 2.38213 0.22253 0 -2.3716 -0.13192 0.33223 -4.32469
GLU_18 -4.04774 0.18035 5.39925 -0.19437 0.03047 0.27772 2.38403 -2.21599 -0.00459 -0.07002 -3.69858 -0.60403 0 0 0 -0.32031 0 0.04342 0.02512 0 3.40945 -0.01965 0 -2.7348 0.04086 0.29079 -1.82862
THR_19 -2.85098 0.25379 1.38211 -0.11351 0.05007 0.08241 0.45283 -0.91269 -0 -0 -0.48775 -0.53802 0 0 0 0 0 -0.00306 0 0.09788 0 -0.47224 2.28955 -1.0874 -0.20464 0.23604 -1.82561
TYR_20 -9.36501 0.80899 6.11064 -1.05835 0.08562 0.6468 4.32019 -3.58089 -0 -0 -3.94217 -0.30603 0 0 -0.36127 -0.37309 0 0.18188 0.04708 0 2.01359 -0.22983 0.12769 1.2797 -0.33568 0.30683 -3.62329
ASN_21 -4.41532 0.20246 4.45975 -0.16326 0.03995 0.21444 2.49768 -2.17478 -0 -0 -1.96765 -0.18088 0 0 -1.04262 0 0 0.08169 0.01423 0 1.50559 -0.28224 0 -0.93687 -0.17605 0.76863 -1.55526
TRP_22 -5.61485 0.85801 3.14084 -0.83803 0.02727 0.3787 1.6767 -2.00215 -0 -0 -0.4107 -0.18034 0 0 0 0 0 -0.1408 0.019 0 2.57503 0.00716 0 1.6906 -0.18246 0.95936 1.96333
LYS_23 -1.83322 0.17191 1.72904 -0.32774 0.05854 0.19679 0.25616 -0.8425 -0.00366 -0.01159 -0.04854 -0.29787 0 0 0 0 0 -0.04953 0.00162 1.80756 0 0.07177 0 -1.5107 -0.14756 0.52614 -0.25339
GLU_24 -5.15955 0.40573 5.68268 -0.19704 0.02465 0.27416 3.15146 -2.62312 -0 -0 -2.17274 -0.45354 0 0 -1.04262 0 0 -0.03162 0.01081 0 3.81123 0.14792 0 -2.7348 -0.00186 0.26342 -0.64483
ASN_25 -4.49756 0.38244 3.21432 -0.19517 0.03251 0.3146 1.04268 -1.96125 -0.00611 -0.02683 -0.86661 -0.60482 0 0 -0.98402 0 0 -0.0582 0.03285 0 2.15415 -0.59946 0 -0.93687 -0.24058 0.28045 -3.52348
VAL_26 -3.02301 0.42166 2.09701 -0.27163 0.17066 0.05848 0.66367 -1.27092 -0 -0 0.21798 -0.34435 0 0 0 0 0 0.16896 0.00088 0.31801 0 -0.74757 0 1.9342 -0.13132 0.7306 0.99333
PRO_27 -3.52904 0.50634 1.19674 -0.07631 0 0.04602 0.39086 -0.65268 -0 -0 -0.18569 0.59292 0 0 0 0 0 -0.11894 0.02562 0.54261 0 -0.25249 0 -2.4119 -0.13851 1.03984 -3.02462
THR_28 -5.16468 0.55345 4.39241 -0.10575 0.04672 0.07271 1.85651 -2.40145 -0 -0 -1.50944 -0.50382 0 0 0 -0.37309 0 0.09007 0.00134 0.10178 0 -0.44078 2.28812 -1.0874 -0.50776 0.58849 -2.10257
GLU_29 -3.11614 0.09101 2.63739 -0.47793 0.2425 1.53872 0.54337 -1.3038 -0 -0 -1.88788 -2.5534 0 0 -0.36127 0 0 0.04771 0.00881 0 4.1919 0.01586 0 -2.7348 -0.53778 0.43897 -3.21677
ALA:CtermProteinFull_30 -4.78238 0.40156 3.43311 -0.03104 0.0005 0 1.66276 -2.22291 -0.01784 -0.17294 -3.20566 -0.03824 0 0 -0.98402 0 0 0 0 0 0 0 0 1.8394 -0.28142 0.52928 -3.86985
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 699818 DOMAINID 690204 MODEL 4 LI0649-38
MODEL     4
REMARK    Rerank model01.pdb to model04.pdb score: 15.411
REMARK    CLUSTER 0001 t000_.out.valid.rescored.best_scoring.binary cluster_size: 34 cluster_threshold: 2.150861
REMARK    SCORE     rama_prepro:          -0.794
REMARK    SCORE     hbond_lr_bb:          -9.339
REMARK    SCORE          fa_sol:          97.936
REMARK    SCORE          fa_dun:          38.981
REMARK    SCORE          fa_atr:        -128.103
REMARK    SCORE            time:           0.000
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     hbond_bb_sc:          -7.605
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE    fa_intra_rep:           0.270
REMARK    SCORE          fa_rep:          12.059
REMARK    SCORE         fa_elec:         -45.780
REMARK    SCORE     total_score:         -38.171
REMARK    SCORE fa_intra_sol_xover4:           5.856
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE     description: cluster0001_0001
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     cart_bonded:          11.941
REMARK    SCORE     lk_ball_wtd:          -3.862
REMARK    SCORE           omega:          -0.538
REMARK    SCORE           score:         -38.171
REMARK    SCORE     hbond_sr_bb:          -5.216
REMARK    SCORE        hbond_sc:          -2.934
REMARK    SCORE             ref:           2.371
REMARK    SCORE         p_aa_pp:          -3.414
ATOM      1  N   SER A   1       0.372  -0.007  -0.369  1.00  3.450          N  
ATOM      2  CA  SER A   1       1.747   0.041   0.112  1.00  2.870          C  
ATOM      3  C   SER A   1       2.190   1.450   0.472  1.00  2.330          C  
ATOM      4  O   SER A   1       3.292   1.629   1.009  1.00  2.550          O  
ATOM      5  CB  SER A   1       2.677  -0.518  -0.939  1.00  4.250          C  
ATOM      6  OG  SER A   1       2.405  -1.870  -1.165  1.00  4.250          O  
ATOM      7 1H   SER A   1       0.363  -0.356  -1.321  1.00  4.140          H  
ATOM      8 2H   SER A   1      -0.196  -0.596   0.222  1.00  4.140          H  
ATOM      9 3H   SER A   1      -0.013   0.930  -0.411  1.00  4.140          H  
ATOM     10  HA  SER A   1       1.817  -0.577   1.007  1.00  3.440          H  
ATOM     11 1HB  SER A   1       2.549   0.044  -1.868  1.00  5.100          H  
ATOM     12 2HB  SER A   1       3.709  -0.397  -0.621  1.00  5.100          H  
ATOM     13  HG  SER A   1       3.028  -2.158  -1.842  1.00  5.100          H  
ATOM     14  N   GLY A   2       1.292   2.419   0.268  1.00  2.300          N  
ATOM     15  CA  GLY A   2       1.538   3.849   0.479  1.00  2.490          C  
ATOM     16  C   GLY A   2       2.115   4.233   1.822  1.00  1.860          C  
ATOM     17  O   GLY A   2       2.946   5.126   1.886  1.00  1.940          O  
ATOM     18  H   GLY A   2       0.407   2.186  -0.182  1.00  2.760          H  
ATOM     19 1HA  GLY A   2       2.209   4.204  -0.296  1.00  2.990          H  
ATOM     20 2HA  GLY A   2       0.603   4.389   0.328  1.00  2.990          H  
ATOM     21  N   GLN A   3       1.815   3.526   2.900  1.00  1.750          N  
ATOM     22  CA  GLN A   3       2.402   3.963   4.165  1.00  1.980          C  
ATOM     23  C   GLN A   3       3.929   4.085   4.066  1.00  1.980          C  
ATOM     24  O   GLN A   3       4.531   4.910   4.759  1.00  2.130          O  
ATOM     25  CB  GLN A   3       2.025   3.017   5.304  1.00  2.680          C  
ATOM     26  CG  GLN A   3       2.525   3.466   6.678  1.00  2.680          C  
ATOM     27  CD  GLN A   3       1.910   4.773   7.145  1.00  2.680          C  
ATOM     28  OE1 GLN A   3       0.684   4.924   7.156  1.00  2.680          O  
ATOM     29  NE2 GLN A   3       2.753   5.721   7.540  1.00  2.680          N  
ATOM     30  H   GLN A   3       1.154   2.765   2.861  1.00  2.100          H  
ATOM     31  HA  GLN A   3       2.009   4.948   4.401  1.00  2.380          H  
ATOM     32 1HB  GLN A   3       0.944   2.925   5.353  1.00  3.220          H  
ATOM     33 2HB  GLN A   3       2.430   2.028   5.102  1.00  3.220          H  
ATOM     34 1HG  GLN A   3       2.264   2.698   7.402  1.00  3.220          H  
ATOM     35 2HG  GLN A   3       3.606   3.586   6.658  1.00  3.220          H  
ATOM     36 1HE2 GLN A   3       2.408   6.598   7.880  1.00  3.220          H  
ATOM     37 2HE2 GLN A   3       3.743   5.558   7.499  1.00  3.220          H  
ATOM     38  N   PHE A   4       4.563   3.229   3.254  1.00  2.440          N  
ATOM     39  CA  PHE A   4       6.000   3.259   3.106  1.00  2.940          C  
ATOM     40  C   PHE A   4       6.393   3.453   1.634  1.00  2.430          C  
ATOM     41  O   PHE A   4       7.469   3.010   1.222  1.00  2.940          O  
ATOM     42  CB  PHE A   4       6.584   1.960   3.652  1.00  3.920          C  
ATOM     43  CG  PHE A   4       6.194   1.734   5.087  1.00  3.920          C  
ATOM     44  CD1 PHE A   4       5.201   0.818   5.400  1.00  3.920          C  
ATOM     45  CD2 PHE A   4       6.786   2.444   6.114  1.00  3.920          C  
ATOM     46  CE1 PHE A   4       4.815   0.612   6.704  1.00  3.920          C  
ATOM     47  CE2 PHE A   4       6.399   2.241   7.422  1.00  3.920          C  
ATOM     48  CZ  PHE A   4       5.413   1.324   7.716  1.00  3.920          C  
ATOM     49  H   PHE A   4       4.044   2.564   2.677  1.00  2.930          H  
ATOM     50  HA  PHE A   4       6.394   4.096   3.677  1.00  3.530          H  
ATOM     51 1HB  PHE A   4       6.228   1.122   3.057  1.00  4.700          H  
ATOM     52 2HB  PHE A   4       7.670   1.984   3.586  1.00  4.700          H  
ATOM     53  HD1 PHE A   4       4.723   0.259   4.596  1.00  4.700          H  
ATOM     54  HD2 PHE A   4       7.562   3.174   5.882  1.00  4.700          H  
ATOM     55  HE1 PHE A   4       4.034  -0.112   6.934  1.00  4.700          H  
ATOM     56  HE2 PHE A   4       6.872   2.809   8.224  1.00  4.700          H  
ATOM     57  HZ  PHE A   4       5.108   1.164   8.749  1.00  4.700          H  
ATOM     58  N   ALA A   5       5.523   4.084   0.828  1.00  1.680          N  
ATOM     59  CA  ALA A   5       5.837   4.235  -0.598  1.00  1.540          C  
ATOM     60  C   ALA A   5       5.169   5.416  -1.305  1.00  1.340          C  
ATOM     61  O   ALA A   5       3.989   5.706  -1.127  1.00  1.370          O  
ATOM     62  CB  ALA A   5       5.409   2.971  -1.327  1.00  2.210          C  
ATOM     63  H   ALA A   5       4.651   4.452   1.216  1.00  2.020          H  
ATOM     64  HA  ALA A   5       6.914   4.364  -0.684  1.00  1.850          H  
ATOM     65 1HB  ALA A   5       5.679   3.055  -2.380  1.00  2.650          H  
ATOM     66 2HB  ALA A   5       5.906   2.109  -0.888  1.00  2.650          H  
ATOM     67 3HB  ALA A   5       4.333   2.852  -1.236  1.00  2.650          H  
ATOM     68  N   THR A   6       5.921   6.036  -2.207  1.00  1.360          N  
ATOM     69  CA  THR A   6       5.424   7.126  -3.038  1.00  1.260          C  
ATOM     70  C   THR A   6       4.863   6.615  -4.345  1.00  1.110          C  
ATOM     71  O   THR A   6       5.058   5.454  -4.705  1.00  1.300          O  
ATOM     72  CB  THR A   6       6.531   8.153  -3.299  1.00  1.800          C  
ATOM     73  OG1 THR A   6       7.619   7.516  -3.991  1.00  1.800          O  
ATOM     74  CG2 THR A   6       7.005   8.728  -1.979  1.00  1.800          C  
ATOM     75  H   THR A   6       6.887   5.759  -2.327  1.00  1.630          H  
ATOM     76  HA  THR A   6       4.621   7.629  -2.516  1.00  1.510          H  
ATOM     77  HB  THR A   6       6.143   8.962  -3.921  1.00  2.160          H  
ATOM     78  HG1 THR A   6       7.356   7.318  -4.898  1.00  2.160          H  
ATOM     79 1HG2 THR A   6       7.789   9.462  -2.166  1.00  2.160          H  
ATOM     80 2HG2 THR A   6       6.168   9.208  -1.480  1.00  2.160          H  
ATOM     81 3HG2 THR A   6       7.396   7.935  -1.349  1.00  2.160          H  
ATOM     82  N   ASN A   7       4.163   7.491  -5.063  1.00  1.100          N  
ATOM     83  CA  ASN A   7       3.617   7.132  -6.365  1.00  1.330          C  
ATOM     84  C   ASN A   7       4.321   7.831  -7.495  1.00  1.130          C  
ATOM     85  O   ASN A   7       4.758   8.973  -7.356  1.00  1.030          O  
ATOM     86  CB  ASN A   7       2.133   7.395  -6.421  1.00  1.770          C  
ATOM     87  CG  ASN A   7       1.402   6.425  -5.705  1.00  1.770          C  
ATOM     88  OD1 ASN A   7       1.665   5.243  -5.946  1.00  1.770          O  
ATOM     89  ND2 ASN A   7       0.493   6.813  -4.851  1.00  1.770          N  
ATOM     90  H   ASN A   7       4.060   8.449  -4.712  1.00  1.320          H  
ATOM     91  HA  ASN A   7       3.775   6.065  -6.517  1.00  1.600          H  
ATOM     92 1HB  ASN A   7       1.927   8.331  -5.967  1.00  2.120          H  
ATOM     93 2HB  ASN A   7       1.804   7.437  -7.438  1.00  2.120          H  
ATOM     94 1HD2 ASN A   7      -0.022   6.133  -4.338  1.00  2.120          H  
ATOM     95 2HD2 ASN A   7       0.259   7.795  -4.705  1.00  2.120          H  
ATOM     96  N   ARG A   8       4.417   7.152  -8.627  1.00  1.300          N  
ATOM     97  CA  ARG A   8       4.968   7.773  -9.818  1.00  1.150          C  
ATOM     98  C   ARG A   8       4.306   7.224 -11.073  1.00  1.080          C  
ATOM     99  O   ARG A   8       4.061   6.018 -11.173  1.00  1.230          O  
ATOM    100  CB  ARG A   8       6.480   7.592  -9.866  1.00  1.670          C  
ATOM    101  CG  ARG A   8       7.193   8.259 -11.055  1.00  1.670          C  
ATOM    102  CD  ARG A   8       8.669   8.147 -10.941  1.00  1.670          C  
ATOM    103  NE  ARG A   8       9.199   8.981  -9.855  1.00  1.670          N  
ATOM    104  CZ  ARG A   8      10.441   8.889  -9.333  1.00  1.670          C  
ATOM    105  NH1 ARG A   8      11.295   7.990  -9.787  1.00  1.670          N  
ATOM    106  NH2 ARG A   8      10.797   9.714  -8.362  1.00  1.670          N  
ATOM    107  H   ARG A   8       4.080   6.198  -8.663  1.00  1.560          H  
ATOM    108  HA  ARG A   8       4.761   8.831  -9.765  1.00  1.380          H  
ATOM    109 1HB  ARG A   8       6.914   8.001  -8.955  1.00  2.000          H  
ATOM    110 2HB  ARG A   8       6.717   6.531  -9.895  1.00  2.000          H  
ATOM    111 1HG  ARG A   8       6.893   7.793 -11.992  1.00  2.000          H  
ATOM    112 2HG  ARG A   8       6.936   9.322 -11.076  1.00  2.000          H  
ATOM    113 1HD  ARG A   8       8.925   7.109 -10.738  1.00  2.000          H  
ATOM    114 2HD  ARG A   8       9.133   8.462 -11.876  1.00  2.000          H  
ATOM    115  HE  ARG A   8       8.584   9.711  -9.476  1.00  2.000          H  
ATOM    116 1HH1 ARG A   8      11.026   7.364 -10.532  1.00  2.000          H  
ATOM    117 2HH1 ARG A   8      12.223   7.927  -9.393  1.00  2.000          H  
ATOM    118 1HH2 ARG A   8      10.134  10.405  -8.025  1.00  2.000          H  
ATOM    119 2HH2 ARG A   8      11.721   9.662  -7.962  1.00  2.000          H  
ATOM    120  N   THR A   9       4.061   8.090 -12.053  1.00  0.920          N  
ATOM    121  CA  THR A   9       3.490   7.611 -13.311  1.00  0.930          C  
ATOM    122  C   THR A   9       4.058   8.361 -14.508  1.00  0.760          C  
ATOM    123  O   THR A   9       4.463   9.523 -14.406  1.00  0.810          O  
ATOM    124  CB  THR A   9       1.963   7.731 -13.309  1.00  1.300          C  
ATOM    125  OG1 THR A   9       1.446   7.062 -14.459  1.00  1.300          O  
ATOM    126  CG2 THR A   9       1.557   9.198 -13.359  1.00  1.300          C  
ATOM    127  H   THR A   9       4.259   9.083 -11.894  1.00  1.100          H  
ATOM    128  HA  THR A   9       3.745   6.558 -13.429  1.00  1.120          H  
ATOM    129  HB  THR A   9       1.571   7.268 -12.405  1.00  1.560          H  
ATOM    130  HG1 THR A   9       0.488   7.016 -14.393  1.00  1.560          H  
ATOM    131 1HG2 THR A   9       0.472   9.272 -13.347  1.00  1.560          H  
ATOM    132 2HG2 THR A   9       1.965   9.711 -12.503  1.00  1.560          H  
ATOM    133 3HG2 THR A   9       1.928   9.673 -14.263  1.00  1.560          H  
ATOM    134  N   LYS A  10       4.083   7.700 -15.656  1.00  0.750          N  
ATOM    135  CA  LYS A  10       4.603   8.322 -16.869  1.00  0.690          C  
ATOM    136  C   LYS A  10       3.546   8.888 -17.800  1.00  0.820          C  
ATOM    137  O   LYS A  10       2.632   8.176 -18.228  1.00  1.000          O  
ATOM    138  CB  LYS A  10       5.448   7.313 -17.646  1.00  0.990          C  
ATOM    139  CG  LYS A  10       6.182   7.920 -18.863  1.00  0.990          C  
ATOM    140  CD  LYS A  10       7.077   6.908 -19.615  1.00  0.990          C  
ATOM    141  CE  LYS A  10       8.292   6.422 -18.781  1.00  0.990          C  
ATOM    142  NZ  LYS A  10       9.213   7.534 -18.405  1.00  0.990          N  
ATOM    143  H   LYS A  10       3.717   6.757 -15.683  1.00  0.900          H  
ATOM    144  HA  LYS A  10       5.252   9.151 -16.578  1.00  0.830          H  
ATOM    145 1HB  LYS A  10       6.180   6.898 -16.966  1.00  1.190          H  
ATOM    146 2HB  LYS A  10       4.816   6.498 -17.996  1.00  1.190          H  
ATOM    147 1HG  LYS A  10       5.444   8.287 -19.576  1.00  1.190          H  
ATOM    148 2HG  LYS A  10       6.780   8.770 -18.529  1.00  1.190          H  
ATOM    149 1HD  LYS A  10       6.473   6.044 -19.895  1.00  1.190          H  
ATOM    150 2HD  LYS A  10       7.446   7.376 -20.527  1.00  1.190          H  
ATOM    151 1HE  LYS A  10       7.951   5.927 -17.881  1.00  1.190          H  
ATOM    152 2HE  LYS A  10       8.848   5.703 -19.380  1.00  1.190          H  
ATOM    153 1HZ  LYS A  10       9.990   7.171 -17.872  1.00  1.190          H  
ATOM    154 2HZ  LYS A  10       9.561   7.996 -19.224  1.00  1.190          H  
ATOM    155 3HZ  LYS A  10       8.718   8.223 -17.809  1.00  1.190          H  
ATOM    156  N   THR A  11       3.722  10.148 -18.186  1.00  0.780          N  
ATOM    157  CA  THR A  11       2.852  10.776 -19.156  1.00  0.990          C  
ATOM    158  C   THR A  11       3.560  10.645 -20.502  1.00  1.040          C  
ATOM    159  O   THR A  11       4.503  11.389 -20.832  1.00  0.930          O  
ATOM    160  CB  THR A  11       2.592  12.258 -18.795  1.00  1.300          C  
ATOM    161  OG1 THR A  11       1.958  12.329 -17.515  1.00  1.300          O  
ATOM    162  CG2 THR A  11       1.696  12.918 -19.828  1.00  1.300          C  
ATOM    163  H   THR A  11       4.487  10.687 -17.771  1.00  0.940          H  
ATOM    164  HA  THR A  11       1.904  10.243 -19.197  1.00  1.190          H  
ATOM    165  HB  THR A  11       3.544  12.789 -18.748  1.00  1.560          H  
ATOM    166  HG1 THR A  11       2.573  12.026 -16.840  1.00  1.560          H  
ATOM    167 1HG2 THR A  11       1.529  13.956 -19.552  1.00  1.560          H  
ATOM    168 2HG2 THR A  11       2.178  12.879 -20.796  1.00  1.560          H  
ATOM    169 3HG2 THR A  11       0.743  12.397 -19.873  1.00  1.560          H  
ATOM    170  N   LYS A  12       3.104   9.671 -21.285  1.00  1.280          N  
ATOM    171  CA  LYS A  12       3.755   9.321 -22.543  1.00  1.430          C  
ATOM    172  C   LYS A  12       3.723  10.459 -23.542  1.00  1.510          C  
ATOM    173  O   LYS A  12       4.678  10.684 -24.280  1.00  1.560          O  
ATOM    174  CB  LYS A  12       3.130   8.061 -23.130  1.00  1.940          C  
ATOM    175  CG  LYS A  12       3.461   6.792 -22.335  1.00  1.940          C  
ATOM    176  CD  LYS A  12       2.807   5.552 -22.945  1.00  1.940          C  
ATOM    177  CE  LYS A  12       3.149   4.294 -22.147  1.00  1.940          C  
ATOM    178  NZ  LYS A  12       2.489   3.077 -22.706  1.00  1.940          N  
ATOM    179  H   LYS A  12       2.307   9.129 -20.969  1.00  1.540          H  
ATOM    180  HA  LYS A  12       4.804   9.104 -22.331  1.00  1.720          H  
ATOM    181 1HB  LYS A  12       2.047   8.171 -23.168  1.00  2.330          H  
ATOM    182 2HB  LYS A  12       3.484   7.923 -24.152  1.00  2.330          H  
ATOM    183 1HG  LYS A  12       4.543   6.654 -22.318  1.00  2.330          H  
ATOM    184 2HG  LYS A  12       3.118   6.911 -21.305  1.00  2.330          H  
ATOM    185 1HD  LYS A  12       1.723   5.680 -22.954  1.00  2.330          H  
ATOM    186 2HD  LYS A  12       3.149   5.425 -23.972  1.00  2.330          H  
ATOM    187 1HE  LYS A  12       4.229   4.149 -22.160  1.00  2.330          H  
ATOM    188 2HE  LYS A  12       2.825   4.430 -21.114  1.00  2.330          H  
ATOM    189 1HZ  LYS A  12       2.742   2.271 -22.150  1.00  2.330          H  
ATOM    190 2HZ  LYS A  12       1.486   3.195 -22.688  1.00  2.330          H  
ATOM    191 3HZ  LYS A  12       2.792   2.934 -23.660  1.00  2.330          H  
ATOM    192  N   CYS A  13       2.632  11.209 -23.524  1.00  1.580          N  
ATOM    193  CA  CYS A  13       2.440  12.311 -24.448  1.00  1.710          C  
ATOM    194  C   CYS A  13       3.254  13.564 -24.119  1.00  1.500          C  
ATOM    195  O   CYS A  13       3.190  14.533 -24.880  1.00  1.610          O  
ATOM    196  CB  CYS A  13       0.957  12.667 -24.549  1.00  2.340          C  
ATOM    197  SG  CYS A  13       0.249  13.361 -23.067  1.00  2.340          S  
ATOM    198  H   CYS A  13       1.888  10.959 -22.891  1.00  1.900          H  
ATOM    199  HA  CYS A  13       2.752  11.968 -25.433  1.00  2.050          H  
ATOM    200 1HB  CYS A  13       0.814  13.386 -25.358  1.00  2.810          H  
ATOM    201 2HB  CYS A  13       0.391  11.772 -24.802  1.00  2.810          H  
ATOM    202  HG  CYS A  13       0.951  14.500 -23.114  1.00  2.810          H  
ATOM    203  N   THR A  14       3.953  13.608 -22.973  1.00  1.250          N  
ATOM    204  CA  THR A  14       4.759  14.784 -22.662  1.00  1.120          C  
ATOM    205  C   THR A  14       6.202  14.391 -22.343  1.00  0.990          C  
ATOM    206  O   THR A  14       7.100  15.235 -22.403  1.00  1.010          O  
ATOM    207  CB  THR A  14       4.189  15.644 -21.508  1.00  1.620          C  
ATOM    208  OG1 THR A  14       4.181  14.907 -20.291  1.00  1.620          O  
ATOM    209  CG2 THR A  14       2.773  16.072 -21.828  1.00  1.620          C  
ATOM    210  H   THR A  14       4.015  12.799 -22.354  1.00  1.500          H  
ATOM    211  HA  THR A  14       4.791  15.420 -23.545  1.00  1.340          H  
ATOM    212  HB  THR A  14       4.815  16.526 -21.384  1.00  1.940          H  
ATOM    213  HG1 THR A  14       4.015  15.517 -19.562  1.00  1.940          H  
ATOM    214 1HG2 THR A  14       2.387  16.686 -21.019  1.00  1.940          H  
ATOM    215 2HG2 THR A  14       2.767  16.644 -22.755  1.00  1.940          H  
ATOM    216 3HG2 THR A  14       2.157  15.208 -21.939  1.00  1.940          H  
ATOM    217  N   GLY A  15       6.450  13.102 -22.048  1.00  0.960          N  
ATOM    218  CA  GLY A  15       7.789  12.655 -21.674  1.00  0.970          C  
ATOM    219  C   GLY A  15       8.118  13.047 -20.237  1.00  0.820          C  
ATOM    220  O   GLY A  15       9.261  13.369 -19.906  1.00  0.960          O  
ATOM    221  H   GLY A  15       5.683  12.435 -21.997  1.00  1.150          H  
ATOM    222 1HA  GLY A  15       7.848  11.572 -21.782  1.00  1.160          H  
ATOM    223 2HA  GLY A  15       8.521  13.088 -22.354  1.00  1.160          H  
ATOM    224  N   PHE A  16       7.087  13.067 -19.395  1.00  0.640          N  
ATOM    225  CA  PHE A  16       7.246  13.485 -18.002  1.00  0.610          C  
ATOM    226  C   PHE A  16       6.777  12.479 -16.960  1.00  0.470          C  
ATOM    227  O   PHE A  16       5.683  11.913 -17.064  1.00  0.450          O  
ATOM    228  CB  PHE A  16       6.508  14.802 -17.789  1.00  0.870          C  
ATOM    229  CG  PHE A  16       6.517  15.290 -16.382  1.00  0.870          C  
ATOM    230  CD1 PHE A  16       7.653  15.852 -15.829  1.00  0.870          C  
ATOM    231  CD2 PHE A  16       5.373  15.201 -15.606  1.00  0.870          C  
ATOM    232  CE1 PHE A  16       7.647  16.300 -14.531  1.00  0.870          C  
ATOM    233  CE2 PHE A  16       5.367  15.659 -14.318  1.00  0.870          C  
ATOM    234  CZ  PHE A  16       6.503  16.203 -13.777  1.00  0.870          C  
ATOM    235  H   PHE A  16       6.189  12.732 -19.758  1.00  0.770          H  
ATOM    236  HA  PHE A  16       8.307  13.661 -17.828  1.00  0.730          H  
ATOM    237 1HB  PHE A  16       6.947  15.571 -18.424  1.00  1.040          H  
ATOM    238 2HB  PHE A  16       5.477  14.677 -18.095  1.00  1.040          H  
ATOM    239  HD1 PHE A  16       8.559  15.933 -16.430  1.00  1.040          H  
ATOM    240  HD2 PHE A  16       4.466  14.762 -16.032  1.00  1.040          H  
ATOM    241  HE1 PHE A  16       8.547  16.735 -14.098  1.00  1.040          H  
ATOM    242  HE2 PHE A  16       4.464  15.592 -13.720  1.00  1.040          H  
ATOM    243  HZ  PHE A  16       6.496  16.559 -12.749  1.00  1.040          H  
ATOM    244  N   ASP A  17       7.609  12.263 -15.938  1.00  0.620          N  
ATOM    245  CA  ASP A  17       7.244  11.369 -14.847  1.00  0.640          C  
ATOM    246  C   ASP A  17       6.716  12.165 -13.661  1.00  0.740          C  
ATOM    247  O   ASP A  17       7.462  12.927 -13.033  1.00  0.930          O  
ATOM    248  CB  ASP A  17       8.422  10.512 -14.386  1.00  0.890          C  
ATOM    249  CG  ASP A  17       8.912   9.499 -15.437  1.00  0.890          C  
ATOM    250  OD1 ASP A  17       8.256   9.340 -16.449  1.00  0.890          O  
ATOM    251  OD2 ASP A  17       9.931   8.888 -15.206  1.00  0.890          O  
ATOM    252  H   ASP A  17       8.505  12.730 -15.920  1.00  0.740          H  
ATOM    253  HA  ASP A  17       6.454  10.708 -15.186  1.00  0.770          H  
ATOM    254 1HB  ASP A  17       9.252  11.160 -14.105  1.00  1.070          H  
ATOM    255 2HB  ASP A  17       8.122   9.969 -13.498  1.00  1.070          H  
ATOM    256  N   GLU A  18       5.432  12.024 -13.376  1.00  0.780          N  
ATOM    257  CA  GLU A  18       4.827  12.790 -12.301  1.00  0.970          C  
ATOM    258  C   GLU A  18       4.942  11.985 -11.021  1.00  0.770          C  
ATOM    259  O   GLU A  18       4.616  10.799 -10.997  1.00  0.610          O  
ATOM    260  CB  GLU A  18       3.367  13.141 -12.583  1.00  1.280          C  
ATOM    261  CG  GLU A  18       2.787  14.130 -11.570  1.00  1.280          C  
ATOM    262  CD  GLU A  18       1.372  14.533 -11.841  1.00  1.280          C  
ATOM    263  OE1 GLU A  18       0.719  13.894 -12.635  1.00  1.280          O  
ATOM    264  OE2 GLU A  18       0.936  15.486 -11.251  1.00  1.280          O  
ATOM    265  H   GLU A  18       4.893  11.338 -13.910  1.00  0.940          H  
ATOM    266  HA  GLU A  18       5.384  13.716 -12.166  1.00  1.160          H  
ATOM    267 1HB  GLU A  18       3.264  13.547 -13.587  1.00  1.540          H  
ATOM    268 2HB  GLU A  18       2.766  12.232 -12.540  1.00  1.540          H  
ATOM    269 1HG  GLU A  18       2.822  13.676 -10.580  1.00  1.540          H  
ATOM    270 2HG  GLU A  18       3.414  15.018 -11.545  1.00  1.540          H  
ATOM    271  N   THR A  19       5.422  12.630  -9.962  1.00  0.920          N  
ATOM    272  CA  THR A  19       5.616  11.966  -8.674  1.00  0.810          C  
ATOM    273  C   THR A  19       4.660  12.561  -7.655  1.00  0.720          C  
ATOM    274  O   THR A  19       4.451  13.777  -7.627  1.00  0.840          O  
ATOM    275  CB  THR A  19       7.086  12.078  -8.197  1.00  1.180          C  
ATOM    276  OG1 THR A  19       7.949  11.475  -9.180  1.00  1.180          O  
ATOM    277  CG2 THR A  19       7.278  11.313  -6.873  1.00  1.180          C  
ATOM    278  H   THR A  19       5.662  13.606 -10.054  1.00  1.100          H  
ATOM    279  HA  THR A  19       5.376  10.914  -8.777  1.00  0.970          H  
ATOM    280  HB  THR A  19       7.355  13.122  -8.062  1.00  1.410          H  
ATOM    281  HG1 THR A  19       7.952  12.033  -9.971  1.00  1.410          H  
ATOM    282 1HG2 THR A  19       8.317  11.385  -6.565  1.00  1.410          H  
ATOM    283 2HG2 THR A  19       6.651  11.731  -6.088  1.00  1.410          H  
ATOM    284 3HG2 THR A  19       7.017  10.265  -7.020  1.00  1.410          H  
ATOM    285  N   TYR A  20       4.061  11.701  -6.835  1.00  0.740          N  
ATOM    286  CA  TYR A  20       3.079  12.127  -5.850  1.00  0.800          C  
ATOM    287  C   TYR A  20       3.536  11.706  -4.443  1.00  0.770          C  
ATOM    288  O   TYR A  20       4.217  10.680  -4.268  1.00  0.800          O  
ATOM    289  CB  TYR A  20       1.748  11.451  -6.147  1.00  1.100          C  
ATOM    290  CG  TYR A  20       1.305  11.530  -7.582  1.00  1.100          C  
ATOM    291  CD1 TYR A  20       1.663  10.481  -8.418  1.00  1.100          C  
ATOM    292  CD2 TYR A  20       0.577  12.581  -8.074  1.00  1.100          C  
ATOM    293  CE1 TYR A  20       1.297  10.463  -9.714  1.00  1.100          C  
ATOM    294  CE2 TYR A  20       0.205  12.572  -9.407  1.00  1.100          C  
ATOM    295  CZ  TYR A  20       0.559  11.509 -10.226  1.00  1.100          C  
ATOM    296  OH  TYR A  20       0.199  11.497 -11.560  1.00  1.100          O  
ATOM    297  H   TYR A  20       4.307  10.714  -6.924  1.00  0.890          H  
ATOM    298  HA  TYR A  20       2.974  13.213  -5.871  1.00  0.960          H  
ATOM    299 1HB  TYR A  20       1.777  10.435  -5.842  1.00  1.320          H  
ATOM    300 2HB  TYR A  20       0.985  11.934  -5.557  1.00  1.320          H  
ATOM    301  HD1 TYR A  20       2.241   9.665  -8.028  1.00  1.320          H  
ATOM    302  HD2 TYR A  20       0.297  13.411  -7.423  1.00  1.320          H  
ATOM    303  HE1 TYR A  20       1.593   9.626 -10.336  1.00  1.320          H  
ATOM    304  HE2 TYR A  20      -0.372  13.405  -9.814  1.00  1.320          H  
ATOM    305  HH  TYR A  20       0.115  12.420 -11.902  1.00  1.320          H  
ATOM    306  N   ASN A  21       3.109  12.462  -3.431  1.00  0.870          N  
ATOM    307  CA  ASN A  21       3.410  12.172  -2.029  1.00  1.000          C  
ATOM    308  C   ASN A  21       2.836  10.826  -1.640  1.00  0.940          C  
ATOM    309  O   ASN A  21       1.827  10.399  -2.183  1.00  0.840          O  
ATOM    310  CB  ASN A  21       2.872  13.255  -1.113  1.00  1.350          C  
ATOM    311  CG  ASN A  21       3.355  13.123   0.302  1.00  1.350          C  
ATOM    312  OD1 ASN A  21       2.853  12.297   1.088  1.00  1.350          O  
ATOM    313  ND2 ASN A  21       4.331  13.930   0.654  1.00  1.350          N  
ATOM    314  H   ASN A  21       2.509  13.274  -3.633  1.00  1.040          H  
ATOM    315  HA  ASN A  21       4.492  12.117  -1.909  1.00  1.200          H  
ATOM    316 1HB  ASN A  21       3.149  14.235  -1.499  1.00  1.620          H  
ATOM    317 2HB  ASN A  21       1.798  13.206  -1.106  1.00  1.620          H  
ATOM    318 1HD2 ASN A  21       4.700  13.899   1.585  1.00  1.620          H  
ATOM    319 2HD2 ASN A  21       4.704  14.584  -0.007  1.00  1.620          H  
ATOM    320  N   TRP A  22       3.460  10.123  -0.708  1.00  1.100          N  
ATOM    321  CA  TRP A  22       2.920   8.826  -0.297  1.00  1.170          C  
ATOM    322  C   TRP A  22       1.431   8.873   0.104  1.00  1.190          C  
ATOM    323  O   TRP A  22       0.715   7.884  -0.045  1.00  1.220          O  
ATOM    324  CB  TRP A  22       3.711   8.246   0.872  1.00  1.610          C  
ATOM    325  CG  TRP A  22       3.483   8.905   2.196  1.00  1.610          C  
ATOM    326  CD1 TRP A  22       4.181   9.926   2.757  1.00  1.610          C  
ATOM    327  CD2 TRP A  22       2.451   8.548   3.163  1.00  1.610          C  
ATOM    328  NE1 TRP A  22       3.655  10.232   3.991  1.00  1.610          N  
ATOM    329  CE2 TRP A  22       2.599   9.394   4.246  1.00  1.610          C  
ATOM    330  CE3 TRP A  22       1.428   7.587   3.181  1.00  1.610          C  
ATOM    331  CZ2 TRP A  22       1.768   9.317   5.345  1.00  1.610          C  
ATOM    332  CZ3 TRP A  22       0.603   7.508   4.275  1.00  1.610          C  
ATOM    333  CH2 TRP A  22       0.765   8.348   5.331  1.00  1.610          C  
ATOM    334  H   TRP A  22       4.303  10.476  -0.276  1.00  1.320          H  
ATOM    335  HA  TRP A  22       2.996   8.140  -1.135  1.00  1.400          H  
ATOM    336 1HB  TRP A  22       3.470   7.213   0.964  1.00  1.930          H  
ATOM    337 2HB  TRP A  22       4.771   8.299   0.647  1.00  1.930          H  
ATOM    338  HD1 TRP A  22       5.029  10.431   2.304  1.00  1.930          H  
ATOM    339  HE1 TRP A  22       3.993  10.953   4.611  1.00  1.930          H  
ATOM    340  HE3 TRP A  22       1.293   6.916   2.340  1.00  1.930          H  
ATOM    341  HZ2 TRP A  22       1.881   9.981   6.202  1.00  1.930          H  
ATOM    342  HZ3 TRP A  22      -0.182   6.755   4.276  1.00  1.930          H  
ATOM    343  HH2 TRP A  22       0.094   8.257   6.186  1.00  1.930          H  
ATOM    344  N   LYS A  23       0.943  10.022   0.601  1.00  1.260          N  
ATOM    345  CA  LYS A  23      -0.456  10.114   1.019  1.00  1.390          C  
ATOM    346  C   LYS A  23      -1.408  10.401  -0.157  1.00  1.240          C  
ATOM    347  O   LYS A  23      -2.628  10.452   0.027  1.00  1.390          O  
ATOM    348  CB  LYS A  23      -0.625  11.191   2.092  1.00  1.890          C  
ATOM    349  CG  LYS A  23      -0.501  12.628   1.589  1.00  1.890          C  
ATOM    350  CD  LYS A  23      -0.566  13.627   2.737  1.00  1.890          C  
ATOM    351  CE  LYS A  23      -0.419  15.059   2.234  1.00  1.890          C  
ATOM    352  NZ  LYS A  23      -0.462  16.047   3.350  1.00  1.890          N  
ATOM    353  H   LYS A  23       1.555  10.830   0.735  1.00  1.510          H  
ATOM    354  HA  LYS A  23      -0.741   9.158   1.453  1.00  1.670          H  
ATOM    355 1HB  LYS A  23      -1.601  11.081   2.563  1.00  2.270          H  
ATOM    356 2HB  LYS A  23       0.131  11.042   2.865  1.00  2.270          H  
ATOM    357 1HG  LYS A  23       0.413  12.758   1.037  1.00  2.270          H  
ATOM    358 2HG  LYS A  23      -1.334  12.838   0.915  1.00  2.270          H  
ATOM    359 1HD  LYS A  23      -1.518  13.524   3.259  1.00  2.270          H  
ATOM    360 2HD  LYS A  23       0.242  13.415   3.438  1.00  2.270          H  
ATOM    361 1HE  LYS A  23       0.534  15.154   1.711  1.00  2.270          H  
ATOM    362 2HE  LYS A  23      -1.227  15.277   1.535  1.00  2.270          H  
ATOM    363 1HZ  LYS A  23      -0.360  16.982   2.978  1.00  2.270          H  
ATOM    364 2HZ  LYS A  23      -1.347  15.974   3.834  1.00  2.270          H  
ATOM    365 3HZ  LYS A  23       0.291  15.859   3.996  1.00  2.270          H  
ATOM    366  N   GLU A  24      -0.854  10.657  -1.341  1.00  1.040          N  
ATOM    367  CA  GLU A  24      -1.598  11.000  -2.544  1.00  1.020          C  
ATOM    368  C   GLU A  24      -1.753   9.770  -3.434  1.00  0.830          C  
ATOM    369  O   GLU A  24      -0.853   9.434  -4.210  1.00  0.720          O  
ATOM    370  CB  GLU A  24      -0.889  12.123  -3.317  1.00  1.440          C  
ATOM    371  CG  GLU A  24      -0.838  13.474  -2.610  1.00  1.440          C  
ATOM    372  CD  GLU A  24      -0.126  14.582  -3.426  1.00  1.440          C  
ATOM    373  OE1 GLU A  24       1.069  14.485  -3.715  1.00  1.440          O  
ATOM    374  OE2 GLU A  24      -0.801  15.528  -3.761  1.00  1.440          O  
ATOM    375  H   GLU A  24       0.157  10.548  -1.435  1.00  1.250          H  
ATOM    376  HA  GLU A  24      -2.592  11.346  -2.256  1.00  1.220          H  
ATOM    377 1HB  GLU A  24       0.137  11.825  -3.480  1.00  1.720          H  
ATOM    378 2HB  GLU A  24      -1.356  12.257  -4.293  1.00  1.720          H  
ATOM    379 1HG  GLU A  24      -1.862  13.791  -2.423  1.00  1.720          H  
ATOM    380 2HG  GLU A  24      -0.364  13.353  -1.649  1.00  1.720          H  
ATOM    381  N   ASN A  25      -2.916   9.115  -3.334  1.00  0.980          N  
ATOM    382  CA  ASN A  25      -3.165   7.869  -4.056  1.00  0.950          C  
ATOM    383  C   ASN A  25      -4.080   8.057  -5.261  1.00  1.040          C  
ATOM    384  O   ASN A  25      -4.634   7.092  -5.792  1.00  1.090          O  
ATOM    385  CB  ASN A  25      -3.728   6.840  -3.104  1.00  1.340          C  
ATOM    386  CG  ASN A  25      -2.701   6.409  -2.104  1.00  1.340          C  
ATOM    387  OD1 ASN A  25      -1.770   5.629  -2.384  1.00  1.340          O  
ATOM    388  ND2 ASN A  25      -2.847   6.915  -0.902  1.00  1.340          N  
ATOM    389  H   ASN A  25      -3.624   9.469  -2.704  1.00  1.180          H  
ATOM    390  HA  ASN A  25      -2.213   7.502  -4.420  1.00  1.140          H  
ATOM    391 1HB  ASN A  25      -4.582   7.264  -2.576  1.00  1.610          H  
ATOM    392 2HB  ASN A  25      -4.084   5.977  -3.656  1.00  1.610          H  
ATOM    393 1HD2 ASN A  25      -2.203   6.675  -0.174  1.00  1.610          H  
ATOM    394 2HD2 ASN A  25      -3.602   7.542  -0.705  1.00  1.610          H  
ATOM    395  N   VAL A  26      -4.284   9.310  -5.640  1.00  1.210          N  
ATOM    396  CA  VAL A  26      -5.102   9.656  -6.786  1.00  1.470          C  
ATOM    397  C   VAL A  26      -4.349  10.637  -7.676  1.00  1.650          C  
ATOM    398  O   VAL A  26      -3.915  11.679  -7.189  1.00  1.780          O  
ATOM    399  CB  VAL A  26      -6.442  10.284  -6.340  1.00  1.950          C  
ATOM    400  CG1 VAL A  26      -7.278  10.677  -7.563  1.00  1.950          C  
ATOM    401  CG2 VAL A  26      -7.210   9.290  -5.481  1.00  1.950          C  
ATOM    402  H   VAL A  26      -3.808  10.042  -5.127  1.00  1.450          H  
ATOM    403  HA  VAL A  26      -5.320   8.741  -7.332  1.00  1.760          H  
ATOM    404  HB  VAL A  26      -6.244  11.190  -5.769  1.00  2.340          H  
ATOM    405 1HG1 VAL A  26      -8.213  11.122  -7.226  1.00  2.340          H  
ATOM    406 2HG1 VAL A  26      -6.746  11.401  -8.176  1.00  2.340          H  
ATOM    407 3HG1 VAL A  26      -7.497   9.790  -8.154  1.00  2.340          H  
ATOM    408 1HG2 VAL A  26      -8.152   9.737  -5.167  1.00  2.340          H  
ATOM    409 2HG2 VAL A  26      -7.408   8.388  -6.060  1.00  2.340          H  
ATOM    410 3HG2 VAL A  26      -6.633   9.030  -4.602  1.00  2.340          H  
ATOM    411  N   PRO A  27      -4.245  10.374  -8.988  1.00  1.780          N  
ATOM    412  CA  PRO A  27      -4.701   9.235  -9.795  1.00  1.760          C  
ATOM    413  C   PRO A  27      -3.923   7.920  -9.642  1.00  1.600          C  
ATOM    414  O   PRO A  27      -4.397   6.878 -10.085  1.00  1.660          O  
ATOM    415  CB  PRO A  27      -4.527   9.776 -11.220  1.00  2.640          C  
ATOM    416  CG  PRO A  27      -3.405  10.789 -11.115  1.00  2.640          C  
ATOM    417  CD  PRO A  27      -3.585  11.424  -9.763  1.00  2.640          C  
ATOM    418  HA  PRO A  27      -5.769   9.060  -9.606  1.00  2.110          H  
ATOM    419 1HB  PRO A  27      -4.284   8.947 -11.907  1.00  3.170          H  
ATOM    420 2HB  PRO A  27      -5.473  10.217 -11.575  1.00  3.170          H  
ATOM    421 1HG  PRO A  27      -2.425  10.296 -11.224  1.00  3.170          H  
ATOM    422 2HG  PRO A  27      -3.476  11.519 -11.933  1.00  3.170          H  
ATOM    423 1HD  PRO A  27      -2.612  11.667  -9.317  1.00  3.170          H  
ATOM    424 2HD  PRO A  27      -4.235  12.312  -9.826  1.00  3.170          H  
ATOM    425  N   THR A  28      -2.726   7.969  -9.060  1.00  1.530          N  
ATOM    426  CA  THR A  28      -1.887   6.775  -8.957  1.00  1.590          C  
ATOM    427  C   THR A  28      -1.884   6.252  -7.528  1.00  1.340          C  
ATOM    428  O   THR A  28      -1.516   6.973  -6.612  1.00  1.150          O  
ATOM    429  CB  THR A  28      -0.454   7.091  -9.435  1.00  2.200          C  
ATOM    430  OG1 THR A  28      -0.497   7.504 -10.808  1.00  2.200          O  
ATOM    431  CG2 THR A  28       0.443   5.867  -9.335  1.00  2.200          C  
ATOM    432  H   THR A  28      -2.367   8.834  -8.687  1.00  1.840          H  
ATOM    433  HA  THR A  28      -2.299   5.999  -9.598  1.00  1.910          H  
ATOM    434  HB  THR A  28      -0.050   7.896  -8.830  1.00  2.640          H  
ATOM    435  HG1 THR A  28      -0.970   8.335 -10.878  1.00  2.640          H  
ATOM    436 1HG2 THR A  28       1.443   6.123  -9.687  1.00  2.640          H  
ATOM    437 2HG2 THR A  28       0.500   5.522  -8.310  1.00  2.640          H  
ATOM    438 3HG2 THR A  28       0.037   5.071  -9.954  1.00  2.640          H  
ATOM    439  N   GLU A  29      -2.312   5.003  -7.349  1.00  1.450          N  
ATOM    440  CA  GLU A  29      -2.422   4.381  -6.025  1.00  1.400          C  
ATOM    441  C   GLU A  29      -1.194   3.573  -5.611  1.00  1.510          C  
ATOM    442  O   GLU A  29      -0.650   2.819  -6.420  1.00  1.780          O  
ATOM    443  CB  GLU A  29      -3.669   3.489  -5.990  1.00  1.980          C  
ATOM    444  CG  GLU A  29      -3.957   2.821  -4.647  1.00  1.980          C  
ATOM    445  CD  GLU A  29      -5.213   2.000  -4.664  1.00  1.980          C  
ATOM    446  OE1 GLU A  29      -5.831   1.907  -5.698  1.00  1.980          O  
ATOM    447  OE2 GLU A  29      -5.559   1.468  -3.640  1.00  1.980          O  
ATOM    448  H   GLU A  29      -2.592   4.475  -8.163  1.00  1.740          H  
ATOM    449  HA  GLU A  29      -2.552   5.172  -5.295  1.00  1.680          H  
ATOM    450 1HB  GLU A  29      -4.541   4.091  -6.253  1.00  2.380          H  
ATOM    451 2HB  GLU A  29      -3.573   2.707  -6.739  1.00  2.380          H  
ATOM    452 1HG  GLU A  29      -3.129   2.158  -4.393  1.00  2.380          H  
ATOM    453 2HG  GLU A  29      -4.027   3.578  -3.872  1.00  2.380          H  
ATOM    454  N   ALA A  30      -0.786   3.715  -4.334  1.00  1.450          N  
ATOM    455  CA  ALA A  30       0.335   2.955  -3.770  1.00  1.710          C  
ATOM    456  C   ALA A  30      -0.168   1.866  -2.823  1.00  1.920          C  
ATOM    457  O   ALA A  30       0.169   0.692  -2.997  1.00  2.350          O  
ATOM    458  OXT ALA A  30      -0.567   2.194  -1.700  1.00  2.560          O  
ATOM    459  CB  ALA A  30       1.288   3.856  -2.993  1.00  2.150          C  
ATOM    460  H   ALA A  30      -1.275   4.379  -3.731  1.00  1.740          H  
ATOM    461  HA  ALA A  30       0.876   2.482  -4.587  1.00  2.050          H  
ATOM    462 1HB  ALA A  30       2.107   3.260  -2.596  1.00  2.580          H  
ATOM    463 2HB  ALA A  30       1.703   4.617  -3.611  1.00  2.580          H  
ATOM    464 3HB  ALA A  30       0.743   4.323  -2.188  1.00  2.580          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 -128.025 12.0439 108.68 -9.55856 2.07899 6.52482 49.5177 -56.303 -0.16764 -1.08094 -48.167 -10.0384 -5.91204 -10.5767 -7.77346 -3.39225 0 -0.65153 2.38035 12.3232 31 -3.46899 14.8547 -13.1533 -0.88139 11.9249 -47.8214
SER:NtermProteinFull_1 -2.76669 0.35262 3.98819 -0.03112 0.00646 0.02722 2.31181 -1.94551 -0.00151 -0.00841 -3.9864 -0.80909 0 0 0 0 0 0.0763 0.00087 0.60097 0 0 0.60001 -0.77834 0 0.27915 -2.08348
GLY_2 -3.92954 1.02984 3.74053 -4e-05 0 0 2.13931 -2.16037 -0 -0 -1.921 -0.39745 0 0 0 0 0 -0.22541 0 0 0 0.33419 0 0.83697 0.28951 0.81108 0.54761
GLN_3 -3.93731 0.38989 2.02191 -0.88948 0.20223 0.97474 0.52272 -1.34427 -0 -0 0.04642 -1.06694 0 0 0 0 0 -0.09681 0.00998 0 2.8782 -0.14752 0 -0.18838 0.21894 0.64732 0.24166
PHE_4 -3.06283 0.41332 1.99132 -0.66419 0.05431 0.42092 0.82985 -1.18743 -0 -0 -1.08474 0.15412 0 0 0 0 0 0.02084 0.11223 0 1.98729 -0.16452 0 1.0402 -0.03442 0.26359 1.08986
ALA_5 -3.69461 0.17841 2.79526 -0.02408 0.00023 0 1.62425 -1.87534 -0 -0 -1.00836 -0.38319 0 0 0 0 0 -0.01364 0 0 0 -0.30876 0 1.8394 0.15989 0.45117 -0.25939
THR_6 -2.9758 0.19004 1.54508 -0.11625 0.06663 0.07148 0.40682 -1.03813 -0 -0 -0.62207 -0.64146 0 0 0 0 0 -0.02575 0.05429 0.03602 0 -0.488 2.2802 -1.0874 -0.01095 0.39154 -1.96372
ASN_7 -7.41022 0.93082 6.36877 -0.179 0.07278 0.25835 3.64022 -3.4234 -0.01642 -0.11678 -2.54109 -0.58468 0 0 -0.6177 0 0 0.0547 0.29637 0 1.9109 0.44007 0 -0.93687 0.02315 0.40847 -1.42155
ARG_8 -4.41195 0.31246 3.207 -0.65674 0.0933 0.40083 1.12554 -1.47888 -0.02199 -0.16217 -1.63142 0.48614 0 0 0 -0.55474 0 -0.02577 0.07355 2.57524 0 -0.2233 0 -1.2888 0.17035 0.43337 -1.57799
THR_9 -4.06389 0.30748 3.79721 -0.23128 0.23411 0.09354 2.63244 -1.93404 -0.01366 -0.0793 -2.23396 -1.24593 0 0 0 0 0 0.05543 0.0639 0.97445 0 -0.09306 2.29383 -1.0874 -0.06886 0.20549 -0.39351
LYS_10 -3.44199 0.11438 4.04789 -0.62633 0.25405 0.36728 1.64019 -1.64605 -0 -0 -3.46941 0.51128 0 0 0 -0.83369 0 0.17406 0.09806 2.62189 0 0.19894 0 -1.5107 -0.09171 0.34228 -1.24958
THR_11 -4.95801 0.27566 4.74954 -0.18442 0.07369 0.07449 3.04776 -2.38472 -0.01406 -0.09341 -3.46268 -0.3809 0 0 0 0 0 -0.02496 0.0022 0.10839 0 0.55164 2.32855 -1.0874 0.46734 0.4906 -0.42068
LYS_12 -2.2695 0.11587 2.34706 -0.30599 0.03061 0.13889 0.66742 -1.06724 -0 -0 0.25506 -0.01881 0 0 0 0 0 -0.06462 0.00084 1.74841 0 -0.05478 0 -1.5107 0.19495 0.32789 0.53534
CYS_13 -2.35649 0.31788 1.07982 -0.09613 0.0041 0.0516 0.0669 -0.7879 -0 -0 0.13543 -0.4431 0 0 0 0 0 -0.0017 0.00119 0.58452 0 0.15462 0 3.6196 -0.50604 0.40494 2.22925
THR_14 -3.50133 0.37265 2.99235 -0.10908 0.04475 0.06356 1.29607 -1.55661 -0.0222 -0.1046 0.20538 -1.03631 0 0 0 0 0 -0.04001 0.01705 0.12075 0 -0.70139 2.28476 -1.0874 -0.20674 0.54848 -0.41986
GLY_15 -1.45147 0.05686 2.01674 -5e-05 0 0 0.99347 -0.95227 -0.00012 -0.00056 -0.0408 -0.38942 0 0 0 0 0 -0.11246 0 0 0 -1.22881 0 0.83697 -0.14695 0.30048 -0.1184
PHE_16 -5.08186 0.29258 4.86163 -0.83638 0.0493 0.11097 2.10176 -2.43572 -0.02223 -0.10474 -1.59732 -0.54622 0 0 0 0 0 -0.0021 0.03899 0 2.57377 -0.04443 0 1.0402 -0.21489 0.23032 0.41362
ASP_17 -4.09883 0.20974 4.82473 -0.11585 0.00768 0.35133 1.90585 -2.15656 -0.01234 -0.09922 -3.78457 0.06 0 0 0 -0.83369 0 -0.08496 0.03238 0 3.46533 -0.4618 0 -2.3716 -0.13679 0.24543 -3.05375
GLU_18 -5.70947 0.55329 5.20427 -0.27016 0.04075 0.30873 2.50789 -2.52679 -0 -0 -3.73603 -0.26556 0 0 0 -0.3077 0 -0.02529 0.17025 0 3.03001 0.10968 0 -2.7348 -0.10851 0.2141 -3.54533
THR_19 -4.03679 0.25563 2.75696 -0.14951 0.05322 0.05276 1.33927 -1.5365 -0.00077 -0.01633 -1.23137 -0.23415 0 0 0 -0.55474 0 0.09208 0.02242 0.31522 0 -0.20382 2.28288 -1.0874 0.03725 0.23161 -1.61208
TYR_20 -8.99445 0.8497 5.61488 -0.67309 0.07914 0.42066 2.84238 -2.99652 -0.00673 -0.06556 -4.04086 -0.13834 0 0 0 -0.3077 0 -0.00268 1.02568 0 1.87859 -0.41603 0.44624 1.2797 -0.10558 0.50203 -2.80856
ASN_21 -5.46442 0.5688 6.06813 -0.2287 0.01648 0.33476 3.16926 -2.69154 -0 -0 -2.50707 -0.45924 0 0 -2.19572 0 0 -0.01873 1e-05 0 2.95159 0.35202 0 -0.93687 -0.23192 0.53695 -0.73621
TRP_22 -7.2871 0.73316 4.5655 -1.41457 0.26761 0.54564 1.44188 -2.75494 -0.00757 -0.05307 0.11702 -0.70211 0 0 0 0 0 -0.15176 0.24855 0 1.23404 -0.01118 0 1.6906 -0.17996 0.34926 -1.36899
LYS_23 -4.28659 0.42909 3.42641 -0.46257 0.07786 0.28826 0.79423 -1.59885 -0 -0 -0.7881 0.09165 0 0 -1.22189 0 0 -0.06204 0.08956 1.90096 0 -0.08359 0 -1.5107 -0.38188 0.37436 -2.92384
GLU_24 -5.33879 0.35567 6.27994 -0.20838 0.02197 0.30203 3.40587 -2.66904 -0.00077 -0.01633 -2.73525 -0.56007 0 0 -1.59153 0 0 -0.04749 0.01532 0 3.85037 0.21669 0 -2.7348 0.04018 0.3186 -1.09581
ASN_25 -5.33042 0.42284 4.55502 -0.21767 0.03575 0.33874 1.6284 -2.48276 -0.00757 -0.05307 -1.07191 -0.56307 0 0 -1.07331 0 0 -0.03517 0.00091 0 2.2123 -0.5463 0 -0.93687 -0.03728 0.26086 -2.90055
VAL_26 -2.463 0.35518 1.68579 -0.27159 0.15569 0.0589 0.42152 -1.07645 -0 -0 0.33735 -0.38547 0 0 0 0 0 0.02829 4e-05 0.27137 0 -0.69451 0 1.9342 -0.20983 0.65013 0.79762
PRO_27 -2.42845 0.2719 0.90171 -0.0939 0.00205 0.05901 0.23299 -0.51834 -0.00572 -0.01671 0.17078 0.67937 0 0 0 0 0 -0.02607 0.00302 0.36654 0 -0.09948 0 -2.4119 0.10967 0.81548 -1.98806
THR_28 -5.4697 0.55782 4.13515 -0.17708 0.07216 0.06526 1.21462 -2.25543 -0.00673 -0.06556 -0.40247 -0.31802 0 0 0 0 0 -0.04692 0 0.09842 0 0.05545 2.33824 -1.0874 0.05667 0.34261 -0.89291
GLU_29 -3.25142 0.15446 2.27306 -0.28753 0.05417 0.3449 0.5441 -1.19034 -0.00572 -0.01671 0.17647 -0.24567 0 0 0 0 0 -0.01889 0.00269 0 3.02759 0.08901 0 -2.7348 0.05279 0.17279 -0.85905
ALA:CtermProteinFull_30 -4.55164 0.67588 4.83792 -0.03742 0.00792 0 3.02293 -2.63106 -0.00151 -0.00841 -5.71402 -0.20575 0 0 -1.07331 0 0 0 0 0 0 0 0 1.8394 -0.02976 0.37452 -3.4943
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 699818 DOMAINID 690204 MODEL 5 LI0649-38
MODEL     5
REMARK    Rerank model02.pdb to model05.pdb score: 12.217
REMARK    CLUSTER 0002 t000_.out.valid.rescored.best_scoring.binary cluster_size: 34 cluster_threshold: 2.150861
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE    fa_intra_rep:           0.267
REMARK    SCORE fa_intra_sol_xover4:           5.518
REMARK    SCORE     total_score:         -42.010
REMARK    SCORE          fa_rep:          10.388
REMARK    SCORE         fa_elec:         -41.748
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     hbond_bb_sc:          -9.505
REMARK    SCORE          fa_sol:          87.747
REMARK    SCORE     rama_prepro:          -2.207
REMARK    SCORE     hbond_lr_bb:          -7.959
REMARK    SCORE          fa_atr:        -118.711
REMARK    SCORE          fa_dun:          39.882
REMARK    SCORE            time:           0.000
REMARK    SCORE         p_aa_pp:          -3.910
REMARK    SCORE             ref:           2.371
REMARK    SCORE        hbond_sc:          -7.239
REMARK    SCORE     hbond_sr_bb:          -3.208
REMARK    SCORE           omega:          -0.330
REMARK    SCORE           score:         -42.010
REMARK    SCORE     lk_ball_wtd:          -4.114
REMARK    SCORE     description: cluster0002_0001
REMARK    SCORE     cart_bonded:          10.750
REMARK    SCORE linear_chainbreak:           0.000
ATOM      1  N   SER A   1       0.039  -0.130   0.258  1.00  4.670          N  
ATOM      2  CA  SER A   1       1.477  -0.122   0.053  1.00  4.340          C  
ATOM      3  C   SER A   1       2.021   1.299   0.022  1.00  3.350          C  
ATOM      4  O   SER A   1       2.326   1.833  -1.045  1.00  3.480          O  
ATOM      5  CB  SER A   1       1.801  -0.831  -1.239  1.00  6.210          C  
ATOM      6  OG  SER A   1       1.401  -2.166  -1.169  1.00  6.210          O  
ATOM      7 1H   SER A   1      -0.353  -0.914  -0.244  1.00  5.600          H  
ATOM      8 2H   SER A   1      -0.168  -0.222   1.242  1.00  5.600          H  
ATOM      9 3H   SER A   1      -0.355   0.730  -0.093  1.00  5.600          H  
ATOM     10  HA  SER A   1       1.951  -0.654   0.878  1.00  5.210          H  
ATOM     11 1HB  SER A   1       1.295  -0.336  -2.068  1.00  7.450          H  
ATOM     12 2HB  SER A   1       2.873  -0.776  -1.427  1.00  7.450          H  
ATOM     13  HG  SER A   1       1.656  -2.565  -2.010  1.00  7.450          H  
ATOM     14  N   GLY A   2       2.103   1.923   1.197  1.00  2.780          N  
ATOM     15  CA  GLY A   2       2.607   3.290   1.309  1.00  2.100          C  
ATOM     16  C   GLY A   2       4.101   3.275   1.567  1.00  1.630          C  
ATOM     17  O   GLY A   2       4.776   2.279   1.281  1.00  1.840          O  
ATOM     18  H   GLY A   2       1.840   1.436   2.041  1.00  3.340          H  
ATOM     19 1HA  GLY A   2       2.397   3.839   0.393  1.00  2.520          H  
ATOM     20 2HA  GLY A   2       2.098   3.811   2.120  1.00  2.520          H  
ATOM     21  N   GLN A   3       4.630   4.378   2.080  1.00  1.460          N  
ATOM     22  CA  GLN A   3       6.059   4.504   2.324  1.00  1.450          C  
ATOM     23  C   GLN A   3       6.256   5.116   3.700  1.00  1.130          C  
ATOM     24  O   GLN A   3       5.290   5.375   4.418  1.00  1.040          O  
ATOM     25  CB  GLN A   3       6.764   5.332   1.236  1.00  2.030          C  
ATOM     26  CG  GLN A   3       6.650   4.769  -0.187  1.00  2.030          C  
ATOM     27  CD  GLN A   3       5.358   5.176  -0.901  1.00  2.030          C  
ATOM     28  OE1 GLN A   3       4.938   6.336  -0.844  1.00  2.030          O  
ATOM     29  NE2 GLN A   3       4.735   4.218  -1.578  1.00  2.030          N  
ATOM     30  H   GLN A   3       4.022   5.166   2.320  1.00  1.750          H  
ATOM     31  HA  GLN A   3       6.505   3.510   2.337  1.00  1.740          H  
ATOM     32 1HB  GLN A   3       6.410   6.336   1.237  1.00  2.440          H  
ATOM     33 2HB  GLN A   3       7.824   5.382   1.462  1.00  2.440          H  
ATOM     34 1HG  GLN A   3       7.492   5.124  -0.778  1.00  2.440          H  
ATOM     35 2HG  GLN A   3       6.668   3.678  -0.129  1.00  2.440          H  
ATOM     36 1HE2 GLN A   3       3.883   4.406  -2.068  1.00  2.440          H  
ATOM     37 2HE2 GLN A   3       5.106   3.285  -1.586  1.00  2.440          H  
ATOM     38  N   PHE A   4       7.496   5.303   4.117  1.00  1.430          N  
ATOM     39  CA  PHE A   4       7.688   5.934   5.409  1.00  1.690          C  
ATOM     40  C   PHE A   4       7.064   7.324   5.458  1.00  1.670          C  
ATOM     41  O   PHE A   4       7.297   8.152   4.578  1.00  2.620          O  
ATOM     42  CB  PHE A   4       9.174   6.051   5.734  1.00  2.260          C  
ATOM     43  CG  PHE A   4       9.418   6.738   7.027  1.00  2.260          C  
ATOM     44  CD1 PHE A   4       9.224   6.089   8.229  1.00  2.260          C  
ATOM     45  CD2 PHE A   4       9.837   8.058   7.040  1.00  2.260          C  
ATOM     46  CE1 PHE A   4       9.436   6.747   9.415  1.00  2.260          C  
ATOM     47  CE2 PHE A   4      10.052   8.714   8.223  1.00  2.260          C  
ATOM     48  CZ  PHE A   4       9.849   8.059   9.413  1.00  2.260          C  
ATOM     49  H   PHE A   4       8.283   5.050   3.542  1.00  1.720          H  
ATOM     50  HA  PHE A   4       7.209   5.316   6.167  1.00  2.030          H  
ATOM     51 1HB  PHE A   4       9.619   5.060   5.783  1.00  2.710          H  
ATOM     52 2HB  PHE A   4       9.680   6.607   4.949  1.00  2.710          H  
ATOM     53  HD1 PHE A   4       8.895   5.049   8.232  1.00  2.710          H  
ATOM     54  HD2 PHE A   4       9.989   8.579   6.091  1.00  2.710          H  
ATOM     55  HE1 PHE A   4       9.276   6.228  10.361  1.00  2.710          H  
ATOM     56  HE2 PHE A   4      10.379   9.754   8.221  1.00  2.710          H  
ATOM     57  HZ  PHE A   4      10.016   8.579  10.354  1.00  2.710          H  
ATOM     58  N   ALA A   5       6.310   7.578   6.529  1.00  0.780          N  
ATOM     59  CA  ALA A   5       5.661   8.860   6.796  1.00  0.690          C  
ATOM     60  C   ALA A   5       4.797   9.404   5.654  1.00  0.630          C  
ATOM     61  O   ALA A   5       4.965  10.575   5.291  1.00  0.800          O  
ATOM     62  CB  ALA A   5       6.710   9.897   7.143  1.00  1.000          C  
ATOM     63  H   ALA A   5       6.167   6.827   7.189  1.00  0.940          H  
ATOM     64  HA  ALA A   5       5.014   8.716   7.656  1.00  0.830          H  
ATOM     65 1HB  ALA A   5       6.227  10.834   7.394  1.00  1.200          H  
ATOM     66 2HB  ALA A   5       7.288   9.550   7.993  1.00  1.200          H  
ATOM     67 3HB  ALA A   5       7.367  10.052   6.292  1.00  1.200          H  
ATOM     68  N   THR A   6       3.893   8.570   5.107  1.00  0.470          N  
ATOM     69  CA  THR A   6       2.982   8.975   4.034  1.00  0.450          C  
ATOM     70  C   THR A   6       1.508   8.925   4.425  1.00  0.530          C  
ATOM     71  O   THR A   6       1.123   8.411   5.485  1.00  0.650          O  
ATOM     72  CB  THR A   6       3.160   8.124   2.758  1.00  0.640          C  
ATOM     73  OG1 THR A   6       2.778   6.747   3.005  1.00  0.640          O  
ATOM     74  CG2 THR A   6       4.572   8.187   2.309  1.00  0.640          C  
ATOM     75  H   THR A   6       3.848   7.613   5.440  1.00  0.560          H  
ATOM     76  HA  THR A   6       3.197  10.004   3.782  1.00  0.540          H  
ATOM     77  HB  THR A   6       2.538   8.523   1.976  1.00  0.770          H  
ATOM     78  HG1 THR A   6       1.811   6.670   2.991  1.00  0.770          H  
ATOM     79 1HG2 THR A   6       4.656   7.612   1.408  1.00  0.770          H  
ATOM     80 2HG2 THR A   6       4.854   9.205   2.107  1.00  0.770          H  
ATOM     81 3HG2 THR A   6       5.221   7.783   3.072  1.00  0.770          H  
ATOM     82  N   ASN A   7       0.678   9.455   3.536  1.00  0.590          N  
ATOM     83  CA  ASN A   7      -0.767   9.494   3.700  1.00  0.740          C  
ATOM     84  C   ASN A   7      -1.500   9.328   2.373  1.00  0.560          C  
ATOM     85  O   ASN A   7      -0.942   9.533   1.291  1.00  0.510          O  
ATOM     86  CB  ASN A   7      -1.191  10.775   4.392  1.00  0.980          C  
ATOM     87  CG  ASN A   7      -2.627  10.754   4.816  1.00  0.980          C  
ATOM     88  OD1 ASN A   7      -3.196   9.663   5.014  1.00  0.980          O  
ATOM     89  ND2 ASN A   7      -3.234  11.910   4.932  1.00  0.980          N  
ATOM     90  H   ASN A   7       1.097   9.893   2.717  1.00  0.710          H  
ATOM     91  HA  ASN A   7      -1.059   8.654   4.333  1.00  0.890          H  
ATOM     92 1HB  ASN A   7      -0.586  10.914   5.278  1.00  1.170          H  
ATOM     93 2HB  ASN A   7      -1.010  11.614   3.749  1.00  1.170          H  
ATOM     94 1HD2 ASN A   7      -4.201  11.946   5.200  1.00  1.170          H  
ATOM     95 2HD2 ASN A   7      -2.744  12.768   4.722  1.00  1.170          H  
ATOM     96  N   ARG A   8      -2.743   8.868   2.473  1.00  0.650          N  
ATOM     97  CA  ARG A   8      -3.599   8.648   1.314  1.00  0.590          C  
ATOM     98  C   ARG A   8      -4.553   9.815   1.066  1.00  0.570          C  
ATOM     99  O   ARG A   8      -5.235  10.288   1.981  1.00  0.690          O  
ATOM    100  CB  ARG A   8      -4.417   7.376   1.517  1.00  0.850          C  
ATOM    101  CG  ARG A   8      -5.195   6.859   0.298  1.00  0.850          C  
ATOM    102  CD  ARG A   8      -5.981   5.639   0.656  1.00  0.850          C  
ATOM    103  NE  ARG A   8      -6.595   4.993  -0.511  1.00  0.850          N  
ATOM    104  CZ  ARG A   8      -6.074   3.971  -1.220  1.00  0.850          C  
ATOM    105  NH1 ARG A   8      -4.911   3.423  -0.911  1.00  0.850          N  
ATOM    106  NH2 ARG A   8      -6.774   3.527  -2.237  1.00  0.850          N  
ATOM    107  H   ARG A   8      -3.109   8.739   3.418  1.00  0.780          H  
ATOM    108  HA  ARG A   8      -2.967   8.525   0.434  1.00  0.710          H  
ATOM    109 1HB  ARG A   8      -3.752   6.577   1.837  1.00  1.020          H  
ATOM    110 2HB  ARG A   8      -5.136   7.542   2.316  1.00  1.020          H  
ATOM    111 1HG  ARG A   8      -5.897   7.618  -0.054  1.00  1.020          H  
ATOM    112 2HG  ARG A   8      -4.497   6.610  -0.505  1.00  1.020          H  
ATOM    113 1HD  ARG A   8      -5.344   4.921   1.162  1.00  1.020          H  
ATOM    114 2HD  ARG A   8      -6.785   5.935   1.330  1.00  1.020          H  
ATOM    115  HE  ARG A   8      -7.501   5.351  -0.860  1.00  1.020          H  
ATOM    116 1HH1 ARG A   8      -4.377   3.766  -0.129  1.00  1.020          H  
ATOM    117 2HH1 ARG A   8      -4.555   2.656  -1.463  1.00  1.020          H  
ATOM    118 1HH2 ARG A   8      -7.676   3.996  -2.438  1.00  1.020          H  
ATOM    119 2HH2 ARG A   8      -6.443   2.762  -2.802  1.00  1.020          H  
ATOM    120  N   THR A   9      -4.691  10.217  -0.190  1.00  0.560          N  
ATOM    121  CA  THR A   9      -5.650  11.263  -0.532  1.00  0.710          C  
ATOM    122  C   THR A   9      -6.303  11.008  -1.883  1.00  0.610          C  
ATOM    123  O   THR A   9      -5.726  10.338  -2.742  1.00  0.540          O  
ATOM    124  CB  THR A   9      -5.014  12.655  -0.520  1.00  0.930          C  
ATOM    125  OG1 THR A   9      -6.053  13.615  -0.704  1.00  0.930          O  
ATOM    126  CG2 THR A   9      -3.968  12.796  -1.631  1.00  0.930          C  
ATOM    127  H   THR A   9      -4.085   9.802  -0.905  1.00  0.670          H  
ATOM    128  HA  THR A   9      -6.443  11.260   0.217  1.00  0.850          H  
ATOM    129  HB  THR A   9      -4.552  12.819   0.442  1.00  1.120          H  
ATOM    130  HG1 THR A   9      -5.696  14.508  -0.651  1.00  1.120          H  
ATOM    131 1HG2 THR A   9      -3.536  13.792  -1.586  1.00  1.120          H  
ATOM    132 2HG2 THR A   9      -3.189  12.055  -1.493  1.00  1.120          H  
ATOM    133 3HG2 THR A   9      -4.431  12.647  -2.605  1.00  1.120          H  
ATOM    134  N   LYS A  10      -7.514  11.517  -2.072  1.00  0.720          N  
ATOM    135  CA  LYS A  10      -8.221  11.327  -3.338  1.00  0.710          C  
ATOM    136  C   LYS A  10      -8.021  12.494  -4.301  1.00  0.750          C  
ATOM    137  O   LYS A  10      -8.278  13.647  -3.943  1.00  0.920          O  
ATOM    138  CB  LYS A  10      -9.709  11.108  -3.066  1.00  1.000          C  
ATOM    139  CG  LYS A  10     -10.519  10.636  -4.280  1.00  1.000          C  
ATOM    140  CD  LYS A  10     -12.024  10.393  -3.957  1.00  1.000          C  
ATOM    141  CE  LYS A  10     -12.276   9.252  -2.918  1.00  1.000          C  
ATOM    142  NZ  LYS A  10     -11.769   7.916  -3.370  1.00  1.000          N  
ATOM    143  H   LYS A  10      -7.932  12.068  -1.330  1.00  0.860          H  
ATOM    144  HA  LYS A  10      -7.834  10.435  -3.822  1.00  0.850          H  
ATOM    145 1HB  LYS A  10      -9.791  10.360  -2.288  1.00  1.200          H  
ATOM    146 2HB  LYS A  10     -10.154  12.030  -2.691  1.00  1.200          H  
ATOM    147 1HG  LYS A  10     -10.459  11.394  -5.064  1.00  1.200          H  
ATOM    148 2HG  LYS A  10     -10.073   9.717  -4.668  1.00  1.200          H  
ATOM    149 1HD  LYS A  10     -12.455  11.317  -3.570  1.00  1.200          H  
ATOM    150 2HD  LYS A  10     -12.544  10.136  -4.879  1.00  1.200          H  
ATOM    151 1HE  LYS A  10     -11.814   9.504  -1.971  1.00  1.200          H  
ATOM    152 2HE  LYS A  10     -13.351   9.175  -2.765  1.00  1.200          H  
ATOM    153 1HZ  LYS A  10     -11.972   7.221  -2.671  1.00  1.200          H  
ATOM    154 2HZ  LYS A  10     -12.202   7.652  -4.236  1.00  1.200          H  
ATOM    155 3HZ  LYS A  10     -10.741   7.947  -3.500  1.00  1.200          H  
ATOM    156  N   THR A  11      -7.613  12.195  -5.537  1.00  0.690          N  
ATOM    157  CA  THR A  11      -7.422  13.228  -6.539  1.00  0.860          C  
ATOM    158  C   THR A  11      -8.606  13.258  -7.501  1.00  0.960          C  
ATOM    159  O   THR A  11      -8.758  12.408  -8.403  1.00  0.830          O  
ATOM    160  CB  THR A  11      -6.093  13.013  -7.298  1.00  1.140          C  
ATOM    161  OG1 THR A  11      -5.017  13.088  -6.372  1.00  1.140          O  
ATOM    162  CG2 THR A  11      -5.889  14.079  -8.375  1.00  1.140          C  
ATOM    163  H   THR A  11      -7.399  11.226  -5.790  1.00  0.830          H  
ATOM    164  HA  THR A  11      -7.367  14.191  -6.035  1.00  1.030          H  
ATOM    165  HB  THR A  11      -6.093  12.022  -7.760  1.00  1.360          H  
ATOM    166  HG1 THR A  11      -4.202  12.748  -6.804  1.00  1.360          H  
ATOM    167 1HG2 THR A  11      -4.937  13.895  -8.875  1.00  1.360          H  
ATOM    168 2HG2 THR A  11      -6.686  14.021  -9.098  1.00  1.360          H  
ATOM    169 3HG2 THR A  11      -5.876  15.066  -7.918  1.00  1.360          H  
ATOM    170  N   LYS A  12      -9.415  14.307  -7.338  1.00  1.290          N  
ATOM    171  CA  LYS A  12     -10.649  14.531  -8.092  1.00  1.540          C  
ATOM    172  C   LYS A  12     -10.383  14.765  -9.565  1.00  1.620          C  
ATOM    173  O   LYS A  12     -11.260  14.604 -10.411  1.00  1.740          O  
ATOM    174  CB  LYS A  12     -11.403  15.735  -7.517  1.00  2.060          C  
ATOM    175  CG  LYS A  12     -10.708  17.095  -7.748  1.00  2.060          C  
ATOM    176  CD  LYS A  12     -11.469  18.245  -7.097  1.00  2.060          C  
ATOM    177  CE  LYS A  12     -10.787  19.587  -7.376  1.00  2.060          C  
ATOM    178  NZ  LYS A  12     -11.498  20.723  -6.720  1.00  2.060          N  
ATOM    179  H   LYS A  12      -9.183  14.955  -6.593  1.00  1.550          H  
ATOM    180  HA  LYS A  12     -11.278  13.644  -7.997  1.00  1.850          H  
ATOM    181 1HB  LYS A  12     -12.394  15.787  -7.968  1.00  2.470          H  
ATOM    182 2HB  LYS A  12     -11.536  15.601  -6.444  1.00  2.470          H  
ATOM    183 1HG  LYS A  12      -9.691  17.067  -7.359  1.00  2.470          H  
ATOM    184 2HG  LYS A  12     -10.662  17.300  -8.816  1.00  2.470          H  
ATOM    185 1HD  LYS A  12     -12.485  18.274  -7.492  1.00  2.470          H  
ATOM    186 2HD  LYS A  12     -11.519  18.089  -6.019  1.00  2.470          H  
ATOM    187 1HE  LYS A  12      -9.763  19.550  -7.007  1.00  2.470          H  
ATOM    188 2HE  LYS A  12     -10.767  19.758  -8.453  1.00  2.470          H  
ATOM    189 1HZ  LYS A  12     -11.018  21.588  -6.929  1.00  2.470          H  
ATOM    190 2HZ  LYS A  12     -12.447  20.775  -7.065  1.00  2.470          H  
ATOM    191 3HZ  LYS A  12     -11.513  20.581  -5.719  1.00  2.470          H  
ATOM    192  N   CYS A  13      -9.156  15.156  -9.864  1.00  1.660          N  
ATOM    193  CA  CYS A  13      -8.744  15.474 -11.208  1.00  1.860          C  
ATOM    194  C   CYS A  13      -8.383  14.251 -12.034  1.00  1.590          C  
ATOM    195  O   CYS A  13      -8.150  14.382 -13.237  1.00  1.750          O  
ATOM    196  CB  CYS A  13      -7.546  16.414 -11.165  1.00  2.520          C  
ATOM    197  SG  CYS A  13      -7.919  18.005 -10.406  1.00  2.520          S  
ATOM    198  H   CYS A  13      -8.495  15.242  -9.106  1.00  1.990          H  
ATOM    199  HA  CYS A  13      -9.570  15.989 -11.702  1.00  2.230          H  
ATOM    200 1HB  CYS A  13      -6.733  15.952 -10.614  1.00  3.030          H  
ATOM    201 2HB  CYS A  13      -7.192  16.596 -12.179  1.00  3.030          H  
ATOM    202  HG  CYS A  13      -8.896  18.323 -11.251  1.00  3.030          H  
ATOM    203  N   THR A  14      -8.274  13.069 -11.406  1.00  1.220          N  
ATOM    204  CA  THR A  14      -7.923  11.886 -12.167  1.00  1.030          C  
ATOM    205  C   THR A  14      -8.918  10.782 -11.837  1.00  0.810          C  
ATOM    206  O   THR A  14      -9.133   9.869 -12.637  1.00  0.760          O  
ATOM    207  CB  THR A  14      -6.476  11.417 -11.880  1.00  1.520          C  
ATOM    208  OG1 THR A  14      -6.359  10.987 -10.517  1.00  1.520          O  
ATOM    209  CG2 THR A  14      -5.507  12.566 -12.110  1.00  1.520          C  
ATOM    210  H   THR A  14      -8.489  12.945 -10.415  1.00  1.460          H  
ATOM    211  HA  THR A  14      -8.008  12.104 -13.231  1.00  1.240          H  
ATOM    212  HB  THR A  14      -6.225  10.593 -12.545  1.00  1.820          H  
ATOM    213  HG1 THR A  14      -5.470  10.627 -10.377  1.00  1.820          H  
ATOM    214 1HG2 THR A  14      -4.492  12.227 -11.911  1.00  1.820          H  
ATOM    215 2HG2 THR A  14      -5.585  12.902 -13.143  1.00  1.820          H  
ATOM    216 3HG2 THR A  14      -5.740  13.389 -11.446  1.00  1.820          H  
ATOM    217  N   GLY A  15      -9.595  10.913 -10.686  1.00  0.820          N  
ATOM    218  CA  GLY A  15     -10.523   9.886 -10.210  1.00  0.860          C  
ATOM    219  C   GLY A  15      -9.818   8.721  -9.505  1.00  0.760          C  
ATOM    220  O   GLY A  15     -10.310   7.589  -9.521  1.00  1.040          O  
ATOM    221  H   GLY A  15      -9.392  11.703 -10.075  1.00  0.980          H  
ATOM    222 1HA  GLY A  15     -11.229  10.349  -9.521  1.00  1.030          H  
ATOM    223 2HA  GLY A  15     -11.100   9.508 -11.050  1.00  1.030          H  
ATOM    224  N   PHE A  16      -8.640   8.998  -8.937  1.00  0.620          N  
ATOM    225  CA  PHE A  16      -7.827   7.973  -8.267  1.00  0.730          C  
ATOM    226  C   PHE A  16      -7.300   8.386  -6.910  1.00  0.610          C  
ATOM    227  O   PHE A  16      -7.073   9.571  -6.650  1.00  0.550          O  
ATOM    228  CB  PHE A  16      -6.617   7.568  -9.111  1.00  0.980          C  
ATOM    229  CG  PHE A  16      -6.941   6.891 -10.395  1.00  0.980          C  
ATOM    230  CD1 PHE A  16      -7.160   7.616 -11.528  1.00  0.980          C  
ATOM    231  CD2 PHE A  16      -7.012   5.510 -10.466  1.00  0.980          C  
ATOM    232  CE1 PHE A  16      -7.457   7.007 -12.715  1.00  0.980          C  
ATOM    233  CE2 PHE A  16      -7.308   4.882 -11.657  1.00  0.980          C  
ATOM    234  CZ  PHE A  16      -7.534   5.638 -12.786  1.00  0.980          C  
ATOM    235  H   PHE A  16      -8.368   9.987  -8.906  1.00  0.740          H  
ATOM    236  HA  PHE A  16      -8.453   7.092  -8.124  1.00  0.880          H  
ATOM    237 1HB  PHE A  16      -6.035   8.457  -9.339  1.00  1.170          H  
ATOM    238 2HB  PHE A  16      -5.972   6.908  -8.525  1.00  1.170          H  
ATOM    239  HD1 PHE A  16      -7.107   8.687 -11.473  1.00  1.170          H  
ATOM    240  HD2 PHE A  16      -6.833   4.919  -9.567  1.00  1.170          H  
ATOM    241  HE1 PHE A  16      -7.639   7.618 -13.599  1.00  1.170          H  
ATOM    242  HE2 PHE A  16      -7.367   3.795 -11.706  1.00  1.170          H  
ATOM    243  HZ  PHE A  16      -7.772   5.154 -13.730  1.00  1.170          H  
ATOM    244  N   ASP A  17      -7.065   7.399  -6.055  1.00  0.740          N  
ATOM    245  CA  ASP A  17      -6.395   7.676  -4.798  1.00  0.650          C  
ATOM    246  C   ASP A  17      -4.894   7.692  -5.051  1.00  0.670          C  
ATOM    247  O   ASP A  17      -4.387   6.904  -5.855  1.00  0.860          O  
ATOM    248  CB  ASP A  17      -6.747   6.655  -3.729  1.00  0.950          C  
ATOM    249  CG  ASP A  17      -8.243   6.715  -3.272  1.00  0.950          C  
ATOM    250  OD1 ASP A  17      -8.943   7.660  -3.609  1.00  0.950          O  
ATOM    251  OD2 ASP A  17      -8.660   5.810  -2.563  1.00  0.950          O  
ATOM    252  H   ASP A  17      -7.319   6.449  -6.295  1.00  0.890          H  
ATOM    253  HA  ASP A  17      -6.682   8.659  -4.443  1.00  0.780          H  
ATOM    254 1HB  ASP A  17      -6.525   5.662  -4.106  1.00  1.140          H  
ATOM    255 2HB  ASP A  17      -6.108   6.827  -2.862  1.00  1.140          H  
ATOM    256  N   GLU A  18      -4.190   8.561  -4.339  1.00  0.620          N  
ATOM    257  CA  GLU A  18      -2.743   8.689  -4.426  1.00  0.740          C  
ATOM    258  C   GLU A  18      -2.075   8.748  -3.048  1.00  0.640          C  
ATOM    259  O   GLU A  18      -2.701   9.066  -2.033  1.00  0.560          O  
ATOM    260  CB  GLU A  18      -2.352   9.920  -5.259  1.00  0.990          C  
ATOM    261  CG  GLU A  18      -2.777   9.856  -6.755  1.00  0.990          C  
ATOM    262  CD  GLU A  18      -2.238  11.008  -7.610  1.00  0.990          C  
ATOM    263  OE1 GLU A  18      -2.780  12.091  -7.579  1.00  0.990          O  
ATOM    264  OE2 GLU A  18      -1.277  10.779  -8.302  1.00  0.990          O  
ATOM    265  H   GLU A  18      -4.709   9.180  -3.718  1.00  0.740          H  
ATOM    266  HA  GLU A  18      -2.358   7.808  -4.940  1.00  0.890          H  
ATOM    267 1HB  GLU A  18      -2.834  10.790  -4.828  1.00  1.190          H  
ATOM    268 2HB  GLU A  18      -1.274  10.080  -5.207  1.00  1.190          H  
ATOM    269 1HG  GLU A  18      -2.443   8.908  -7.177  1.00  1.190          H  
ATOM    270 2HG  GLU A  18      -3.869   9.871  -6.800  1.00  1.190          H  
ATOM    271  N   THR A  19      -0.793   8.396  -3.018  1.00  0.700          N  
ATOM    272  CA  THR A  19      -0.004   8.424  -1.786  1.00  0.640          C  
ATOM    273  C   THR A  19       1.016   9.552  -1.830  1.00  0.640          C  
ATOM    274  O   THR A  19       1.688   9.753  -2.846  1.00  0.800          O  
ATOM    275  CB  THR A  19       0.688   7.065  -1.546  1.00  0.920          C  
ATOM    276  OG1 THR A  19      -0.315   6.051  -1.412  1.00  0.920          O  
ATOM    277  CG2 THR A  19       1.526   7.096  -0.266  1.00  0.920          C  
ATOM    278  H   THR A  19      -0.338   8.127  -3.879  1.00  0.840          H  
ATOM    279  HA  THR A  19      -0.672   8.613  -0.949  1.00  0.770          H  
ATOM    280  HB  THR A  19       1.332   6.825  -2.389  1.00  1.100          H  
ATOM    281  HG1 THR A  19      -0.762   5.937  -2.253  1.00  1.100          H  
ATOM    282 1HG2 THR A  19       1.991   6.130  -0.115  1.00  1.100          H  
ATOM    283 2HG2 THR A  19       2.308   7.849  -0.347  1.00  1.100          H  
ATOM    284 3HG2 THR A  19       0.879   7.328   0.581  1.00  1.100          H  
ATOM    285  N   TYR A  20       1.119  10.298  -0.734  1.00  0.530          N  
ATOM    286  CA  TYR A  20       2.059  11.414  -0.667  1.00  0.570          C  
ATOM    287  C   TYR A  20       2.694  11.501   0.722  1.00  0.510          C  
ATOM    288  O   TYR A  20       2.162  10.962   1.694  1.00  0.500          O  
ATOM    289  CB  TYR A  20       1.302  12.702  -1.003  1.00  0.780          C  
ATOM    290  CG  TYR A  20       0.331  13.140   0.084  1.00  0.780          C  
ATOM    291  CD1 TYR A  20       0.716  14.141   0.930  1.00  0.780          C  
ATOM    292  CD2 TYR A  20      -0.894  12.505   0.283  1.00  0.780          C  
ATOM    293  CE1 TYR A  20      -0.081  14.535   1.962  1.00  0.780          C  
ATOM    294  CE2 TYR A  20      -1.704  12.897   1.335  1.00  0.780          C  
ATOM    295  CZ  TYR A  20      -1.291  13.920   2.175  1.00  0.780          C  
ATOM    296  OH  TYR A  20      -2.066  14.324   3.247  1.00  0.780          O  
ATOM    297  H   TYR A  20       0.501  10.078   0.053  1.00  0.640          H  
ATOM    298  HA  TYR A  20       2.857  11.259  -1.394  1.00  0.680          H  
ATOM    299 1HB  TYR A  20       2.020  13.510  -1.168  1.00  0.940          H  
ATOM    300 2HB  TYR A  20       0.749  12.562  -1.923  1.00  0.940          H  
ATOM    301  HD1 TYR A  20       1.674  14.629   0.784  1.00  0.940          H  
ATOM    302  HD2 TYR A  20      -1.205  11.689  -0.368  1.00  0.940          H  
ATOM    303  HE1 TYR A  20       0.262  15.338   2.622  1.00  0.940          H  
ATOM    304  HE2 TYR A  20      -2.650  12.393   1.511  1.00  0.940          H  
ATOM    305  HH  TYR A  20      -1.620  15.062   3.690  1.00  0.940          H  
ATOM    306  N   ASN A  21       3.841  12.170   0.835  1.00  0.550          N  
ATOM    307  CA  ASN A  21       4.512  12.320   2.134  1.00  0.540          C  
ATOM    308  C   ASN A  21       3.793  13.284   3.063  1.00  0.490          C  
ATOM    309  O   ASN A  21       3.230  14.286   2.634  1.00  0.480          O  
ATOM    310  CB  ASN A  21       5.960  12.727   1.972  1.00  0.760          C  
ATOM    311  CG  ASN A  21       6.770  12.544   3.237  1.00  0.760          C  
ATOM    312  OD1 ASN A  21       6.715  13.361   4.181  1.00  0.760          O  
ATOM    313  ND2 ASN A  21       7.542  11.482   3.268  1.00  0.760          N  
ATOM    314  H   ASN A  21       4.269  12.608   0.003  1.00  0.660          H  
ATOM    315  HA  ASN A  21       4.515  11.359   2.634  1.00  0.650          H  
ATOM    316 1HB  ASN A  21       6.416  12.164   1.159  1.00  0.910          H  
ATOM    317 2HB  ASN A  21       5.993  13.756   1.714  1.00  0.910          H  
ATOM    318 1HD2 ASN A  21       8.122  11.297   4.063  1.00  0.910          H  
ATOM    319 2HD2 ASN A  21       7.559  10.849   2.494  1.00  0.910          H  
ATOM    320  N   TRP A  22       3.852  13.039   4.364  1.00  0.560          N  
ATOM    321  CA  TRP A  22       3.228  13.954   5.324  1.00  0.630          C  
ATOM    322  C   TRP A  22       3.705  15.406   5.176  1.00  0.680          C  
ATOM    323  O   TRP A  22       2.969  16.336   5.506  1.00  0.780          O  
ATOM    324  CB  TRP A  22       3.547  13.539   6.761  1.00  0.850          C  
ATOM    325  CG  TRP A  22       2.979  12.239   7.184  1.00  0.850          C  
ATOM    326  CD1 TRP A  22       2.021  11.521   6.569  1.00  0.850          C  
ATOM    327  CD2 TRP A  22       3.366  11.476   8.342  1.00  0.850          C  
ATOM    328  NE1 TRP A  22       1.791  10.361   7.254  1.00  0.850          N  
ATOM    329  CE2 TRP A  22       2.598  10.319   8.338  1.00  0.850          C  
ATOM    330  CE3 TRP A  22       4.298  11.677   9.364  1.00  0.850          C  
ATOM    331  CZ2 TRP A  22       2.728   9.353   9.309  1.00  0.850          C  
ATOM    332  CZ3 TRP A  22       4.430  10.706  10.340  1.00  0.850          C  
ATOM    333  CH2 TRP A  22       3.666   9.573  10.313  1.00  0.850          C  
ATOM    334  H   TRP A  22       4.318  12.189   4.701  1.00  0.670          H  
ATOM    335  HA  TRP A  22       2.151  13.940   5.162  1.00  0.760          H  
ATOM    336 1HB  TRP A  22       4.630  13.476   6.874  1.00  1.020          H  
ATOM    337 2HB  TRP A  22       3.193  14.306   7.445  1.00  1.020          H  
ATOM    338  HD1 TRP A  22       1.520  11.803   5.650  1.00  1.020          H  
ATOM    339  HE1 TRP A  22       1.133   9.617   6.965  1.00  1.020          H  
ATOM    340  HE3 TRP A  22       4.912  12.573   9.388  1.00  1.020          H  
ATOM    341  HZ2 TRP A  22       2.127   8.442   9.301  1.00  1.020          H  
ATOM    342  HZ3 TRP A  22       5.162  10.865  11.132  1.00  1.020          H  
ATOM    343  HH2 TRP A  22       3.794   8.826  11.097  1.00  1.020          H  
ATOM    344  N   LYS A  23       4.937  15.605   4.694  1.00  0.710          N  
ATOM    345  CA  LYS A  23       5.518  16.932   4.531  1.00  0.850          C  
ATOM    346  C   LYS A  23       5.237  17.568   3.162  1.00  0.830          C  
ATOM    347  O   LYS A  23       5.717  18.667   2.876  1.00  0.990          O  
ATOM    348  CB  LYS A  23       7.026  16.863   4.761  1.00  1.130          C  
ATOM    349  CG  LYS A  23       7.416  16.489   6.186  1.00  1.130          C  
ATOM    350  CD  LYS A  23       8.931  16.444   6.361  1.00  1.130          C  
ATOM    351  CE  LYS A  23       9.315  16.067   7.792  1.00  1.130          C  
ATOM    352  NZ  LYS A  23      10.794  15.977   7.970  1.00  1.130          N  
ATOM    353  H   LYS A  23       5.509  14.794   4.450  1.00  0.850          H  
ATOM    354  HA  LYS A  23       5.083  17.585   5.287  1.00  1.020          H  
ATOM    355 1HB  LYS A  23       7.456  16.122   4.085  1.00  1.360          H  
ATOM    356 2HB  LYS A  23       7.476  17.826   4.524  1.00  1.360          H  
ATOM    357 1HG  LYS A  23       6.993  17.218   6.876  1.00  1.360          H  
ATOM    358 2HG  LYS A  23       7.000  15.509   6.423  1.00  1.360          H  
ATOM    359 1HD  LYS A  23       9.351  15.706   5.675  1.00  1.360          H  
ATOM    360 2HD  LYS A  23       9.355  17.419   6.125  1.00  1.360          H  
ATOM    361 1HE  LYS A  23       8.923  16.818   8.476  1.00  1.360          H  
ATOM    362 2HE  LYS A  23       8.871  15.101   8.036  1.00  1.360          H  
ATOM    363 1HZ  LYS A  23      11.003  15.725   8.927  1.00  1.360          H  
ATOM    364 2HZ  LYS A  23      11.168  15.273   7.349  1.00  1.360          H  
ATOM    365 3HZ  LYS A  23      11.216  16.869   7.759  1.00  1.360          H  
ATOM    366  N   GLU A  24       4.516  16.860   2.300  1.00  0.680          N  
ATOM    367  CA  GLU A  24       4.196  17.342   0.964  1.00  0.730          C  
ATOM    368  C   GLU A  24       2.794  17.936   0.932  1.00  0.700          C  
ATOM    369  O   GLU A  24       1.920  17.539   1.695  1.00  0.750          O  
ATOM    370  CB  GLU A  24       4.361  16.217  -0.075  1.00  1.000          C  
ATOM    371  CG  GLU A  24       5.831  15.790  -0.306  1.00  1.000          C  
ATOM    372  CD  GLU A  24       6.039  14.584  -1.267  1.00  1.000          C  
ATOM    373  OE1 GLU A  24       5.289  13.606  -1.231  1.00  1.000          O  
ATOM    374  OE2 GLU A  24       6.963  14.663  -2.042  1.00  1.000          O  
ATOM    375  H   GLU A  24       4.116  15.968   2.597  1.00  0.820          H  
ATOM    376  HA  GLU A  24       4.898  18.133   0.707  1.00  0.880          H  
ATOM    377 1HB  GLU A  24       3.814  15.337   0.256  1.00  1.200          H  
ATOM    378 2HB  GLU A  24       3.935  16.527  -1.029  1.00  1.200          H  
ATOM    379 1HG  GLU A  24       6.344  16.645  -0.742  1.00  1.200          H  
ATOM    380 2HG  GLU A  24       6.302  15.605   0.646  1.00  1.200          H  
ATOM    381  N   ASN A  25       2.592  18.911   0.043  1.00  0.760          N  
ATOM    382  CA  ASN A  25       1.292  19.556  -0.130  1.00  0.800          C  
ATOM    383  C   ASN A  25       0.608  19.154  -1.432  1.00  0.880          C  
ATOM    384  O   ASN A  25      -0.276  19.859  -1.920  1.00  0.900          O  
ATOM    385  CB  ASN A  25       1.455  21.063  -0.065  1.00  1.100          C  
ATOM    386  CG  ASN A  25       1.834  21.541   1.317  1.00  1.100          C  
ATOM    387  OD1 ASN A  25       1.070  21.477   2.302  1.00  1.100          O  
ATOM    388  ND2 ASN A  25       3.042  22.044   1.417  1.00  1.100          N  
ATOM    389  H   ASN A  25       3.366  19.208  -0.534  1.00  0.910          H  
ATOM    390  HA  ASN A  25       0.648  19.241   0.689  1.00  0.960          H  
ATOM    391 1HB  ASN A  25       2.238  21.363  -0.760  1.00  1.320          H  
ATOM    392 2HB  ASN A  25       0.543  21.560  -0.384  1.00  1.320          H  
ATOM    393 1HD2 ASN A  25       3.370  22.381   2.302  1.00  1.320          H  
ATOM    394 2HD2 ASN A  25       3.638  22.088   0.617  1.00  1.320          H  
ATOM    395  N   VAL A  26       1.085  18.070  -2.027  1.00  1.100          N  
ATOM    396  CA  VAL A  26       0.536  17.563  -3.268  1.00  1.410          C  
ATOM    397  C   VAL A  26       0.262  16.068  -3.169  1.00  1.800          C  
ATOM    398  O   VAL A  26       1.148  15.320  -2.781  1.00  2.000          O  
ATOM    399  CB  VAL A  26       1.508  17.824  -4.441  1.00  1.850          C  
ATOM    400  CG1 VAL A  26       0.941  17.251  -5.749  1.00  1.850          C  
ATOM    401  CG2 VAL A  26       1.732  19.320  -4.586  1.00  1.850          C  
ATOM    402  H   VAL A  26       1.828  17.562  -1.566  1.00  1.320          H  
ATOM    403  HA  VAL A  26      -0.384  18.101  -3.471  1.00  1.690          H  
ATOM    404  HB  VAL A  26       2.457  17.325  -4.244  1.00  2.220          H  
ATOM    405 1HG1 VAL A  26       1.645  17.445  -6.557  1.00  2.220          H  
ATOM    406 2HG1 VAL A  26       0.794  16.176  -5.666  1.00  2.220          H  
ATOM    407 3HG1 VAL A  26      -0.006  17.731  -5.976  1.00  2.220          H  
ATOM    408 1HG2 VAL A  26       2.417  19.506  -5.410  1.00  2.220          H  
ATOM    409 2HG2 VAL A  26       0.778  19.811  -4.785  1.00  2.220          H  
ATOM    410 3HG2 VAL A  26       2.157  19.724  -3.676  1.00  2.220          H  
ATOM    411  N   PRO A  27      -0.935  15.606  -3.563  1.00  2.060          N  
ATOM    412  CA  PRO A  27      -2.160  16.296  -3.987  1.00  2.000          C  
ATOM    413  C   PRO A  27      -2.893  17.119  -2.916  1.00  1.790          C  
ATOM    414  O   PRO A  27      -3.721  17.958  -3.260  1.00  1.780          O  
ATOM    415  CB  PRO A  27      -3.049  15.130  -4.437  1.00  3.000          C  
ATOM    416  CG  PRO A  27      -2.100  13.981  -4.688  1.00  3.000          C  
ATOM    417  CD  PRO A  27      -1.013  14.157  -3.678  1.00  3.000          C  
ATOM    418  HA  PRO A  27      -1.934  16.931  -4.854  1.00  2.400          H  
ATOM    419 1HB  PRO A  27      -3.810  14.915  -3.677  1.00  3.600          H  
ATOM    420 2HB  PRO A  27      -3.604  15.410  -5.349  1.00  3.600          H  
ATOM    421 1HG  PRO A  27      -2.641  13.037  -4.569  1.00  3.600          H  
ATOM    422 2HG  PRO A  27      -1.739  13.996  -5.732  1.00  3.600          H  
ATOM    423 1HD  PRO A  27      -1.291  13.711  -2.717  1.00  3.600          H  
ATOM    424 2HD  PRO A  27      -0.064  13.746  -4.060  1.00  3.600          H  
ATOM    425  N   THR A  28      -2.617  16.866  -1.637  1.00  1.800          N  
ATOM    426  CA  THR A  28      -3.326  17.565  -0.567  1.00  1.860          C  
ATOM    427  C   THR A  28      -2.509  18.577   0.205  1.00  1.630          C  
ATOM    428  O   THR A  28      -1.540  18.230   0.875  1.00  1.590          O  
ATOM    429  CB  THR A  28      -3.921  16.554   0.444  1.00  2.580          C  
ATOM    430  OG1 THR A  28      -4.876  15.732  -0.224  1.00  2.580          O  
ATOM    431  CG2 THR A  28      -4.595  17.266   1.617  1.00  2.580          C  
ATOM    432  H   THR A  28      -1.928  16.176  -1.386  1.00  2.160          H  
ATOM    433  HA  THR A  28      -4.158  18.103  -1.017  1.00  2.230          H  
ATOM    434  HB  THR A  28      -3.121  15.920   0.825  1.00  3.100          H  
ATOM    435  HG1 THR A  28      -5.128  14.989   0.341  1.00  3.100          H  
ATOM    436 1HG2 THR A  28      -5.000  16.522   2.298  1.00  3.100          H  
ATOM    437 2HG2 THR A  28      -3.880  17.883   2.161  1.00  3.100          H  
ATOM    438 3HG2 THR A  28      -5.401  17.896   1.247  1.00  3.100          H  
ATOM    439  N   GLU A  29      -2.959  19.824   0.164  1.00  1.670          N  
ATOM    440  CA  GLU A  29      -2.300  20.892   0.890  1.00  1.710          C  
ATOM    441  C   GLU A  29      -2.670  20.781   2.351  1.00  2.010          C  
ATOM    442  O   GLU A  29      -3.843  20.571   2.674  1.00  2.370          O  
ATOM    443  CB  GLU A  29      -2.693  22.260   0.336  1.00  2.380          C  
ATOM    444  CG  GLU A  29      -1.976  23.434   0.995  1.00  2.380          C  
ATOM    445  CD  GLU A  29      -2.332  24.748   0.386  1.00  2.380          C  
ATOM    446  OE1 GLU A  29      -3.098  24.761  -0.547  1.00  2.380          O  
ATOM    447  OE2 GLU A  29      -1.840  25.744   0.851  1.00  2.380          O  
ATOM    448  H   GLU A  29      -3.767  20.029  -0.409  1.00  2.000          H  
ATOM    449  HA  GLU A  29      -1.230  20.770   0.807  1.00  2.050          H  
ATOM    450 1HB  GLU A  29      -2.473  22.290  -0.733  1.00  2.850          H  
ATOM    451 2HB  GLU A  29      -3.765  22.409   0.456  1.00  2.850          H  
ATOM    452 1HG  GLU A  29      -2.236  23.465   2.052  1.00  2.850          H  
ATOM    453 2HG  GLU A  29      -0.901  23.281   0.919  1.00  2.850          H  
ATOM    454  N   ALA A  30      -1.686  20.917   3.231  1.00  1.990          N  
ATOM    455  CA  ALA A  30      -1.958  20.822   4.655  1.00  2.440          C  
ATOM    456  C   ALA A  30      -0.903  21.555   5.476  1.00  2.590          C  
ATOM    457  O   ALA A  30      -1.221  22.524   6.168  1.00  3.170          O  
ATOM    458  OXT ALA A  30       0.171  20.995   5.682  1.00  3.660          O  
ATOM    459  CB  ALA A  30      -2.025  19.358   5.066  1.00  3.020          C  
ATOM    460  H   ALA A  30      -0.732  21.083   2.898  1.00  2.390          H  
ATOM    461  HA  ALA A  30      -2.920  21.293   4.849  1.00  2.930          H  
ATOM    462 1HB  ALA A  30      -2.257  19.291   6.127  1.00  3.630          H  
ATOM    463 2HB  ALA A  30      -2.804  18.855   4.490  1.00  3.630          H  
ATOM    464 3HB  ALA A  30      -1.063  18.882   4.869  1.00  3.630          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 -118.734 10.5194 98.6727 -8.67364 1.93806 6.14615 47.2545 -51.5902 -0.10242 -0.50138 -45.7089 -9.52701 -3.63487 -9.0178 -9.14192 -6.50286 0 -0.39192 1.6746 12.1061 30.8358 -3.97856 14.5847 -13.1533 -2.46659 10.6303 -48.7631
SER:NtermProteinFull_1 -0.48301 0.01518 0.76583 -0.036 0.01152 0.03001 0.25705 -0.34618 -0 -0 -0.49944 -1.05866 0 0 0 0 0 -0.01402 0.01203 0.24452 0 0 0.60133 -0.77834 0 0.03227 -1.24592
GLY_2 -1.64876 0.17869 0.99191 -0.00031 0 0 0.17581 -0.64271 -0 -0 -0.76999 -0.157 0 0 0 0 0 -0.12198 0 0 0 -1.10368 0 0.83697 0.05812 0.05536 -2.14757
GLN_3 -3.68654 0.41426 3.19127 -0.55608 0.06618 0.8985 1.46234 -1.74217 -0 -0 -1.32133 -0.63798 0 0 -0.93239 0 0 -0.01018 0.05115 0 1.17216 0.3598 0 -0.18838 0.5569 0.28025 -0.62223
PHE_4 -2.34437 0.25236 1.44881 -0.85877 0.06576 0.11759 0.30671 -1.05521 -0 -0 0.20072 -0.47492 0 0 0 0 0 -0.04617 0.09065 0 2.03126 0.14601 0 1.0402 0.20834 0.35408 1.48306
ALA_5 -5.05287 0.37266 1.99137 -0.02857 0.0297 0 1.50712 -1.99587 -0 -0 -1.66781 -0.58955 0 0 0 0 0 -0.05611 0 0 0 0.23905 0 1.8394 -0.14643 0.33733 -3.22058
THR_6 -6.78847 0.9023 4.37968 -0.10837 0.06443 0.06879 1.84332 -2.76116 -0 -0 -1.595 -0.55956 0 0 -1.03403 0 0 -0.00084 0.0024 0.11939 0 -0.66145 2.30262 -1.0874 0.0583 0.52295 -4.33211
ASN_7 -5.03841 0.45351 5.04509 -0.19196 0.04085 0.31301 2.82603 -2.54719 -0.00504 -0.0171 -2.79119 -0.64874 0 0 -0.35414 -0.5649 0 0.05253 0.04016 0 3.39082 0.39632 0 -0.93687 0.08253 0.43616 -0.01853
ARG_8 -3.79825 0.26074 3.82078 -0.62733 0.09968 0.36629 1.39148 -1.6709 -0.00432 -0.03606 -2.69989 0.40158 0 0 -0.35414 -1.13224 0 0.03552 0.46822 2.85572 0 0.01824 0 -1.2888 0.1238 0.43807 -1.33181
THR_9 -5.31818 0.51849 4.18531 -0.2209 0.13486 0.09148 2.72951 -2.15289 -0.01145 -0.0589 -2.87712 -1.27641 0 0 0 0 0 0.05496 0.00415 0.97846 0 -0.09549 2.40704 -1.0874 -0.13285 0.38445 -1.74289
LYS_10 -2.85273 0.15988 3.61795 -0.60559 0.22334 0.36497 1.65557 -1.53298 -0.00111 -0.00264 -3.33751 0.42694 0 0 0 -0.82339 0 -0.03686 0.22686 2.60963 0 0.15331 0 -1.5107 -0.11586 0.31013 -1.07079
THR_11 -5.50396 0.30815 5.75533 -0.18136 0.08921 0.07534 4.09234 -2.69967 -0.01091 -0.06339 -4.30874 0.08668 0 0 0 -0.7309 0 -0.0699 0.00526 0.13933 0 0.39461 2.29121 -1.0874 0.27864 0.47254 -0.66759
LYS_12 -2.27968 0.12171 1.90487 -0.42825 0.07775 0.22649 0.50911 -0.91012 -0 -0 0.24403 0.12518 0 0 0 0 0 -0.06326 0.00759 1.49803 0 -0.02726 0 -1.5107 -0.00964 0.32449 -0.18964
CYS_13 -2.74687 0.3994 1.62703 -0.05318 0.00639 0.02132 0.55003 -0.92722 -0 -0 0.12222 -0.50833 0 0 0 0 0 -0.02857 0.02931 0.50852 0 0.18696 0 3.6196 -0.58598 0.26727 2.4879
THR_14 -3.74473 0.36779 3.28178 -0.10614 0.06241 0.05989 1.56606 -1.72001 -0.01868 -0.09609 0.04398 -1.16664 0 0 0 0 0 -0.02587 0.04985 0.16698 0 -0.65955 2.34852 -1.0874 -0.15748 0.39104 -0.4443
GLY_15 -1.97897 0.08038 2.05414 -5e-05 0 0 0.9644 -1.11475 -0 -0 -0.0304 -0.36873 0 0 0 0 0 -0.13308 0 0 0 -1.37518 0 0.83697 -0.10956 0.36387 -0.81098
PHE_16 -4.29025 0.25753 4.49863 -0.56332 0.04152 0.27832 2.04394 -2.15766 -0.02751 -0.15373 -1.62288 0.04 0 0 0 0 0 0.15991 0.06071 0 1.91773 -0.28589 0 1.0402 -0.38551 0.38802 1.23979
ASP_17 -4.09296 0.25024 5.56468 -0.103 0.00454 0.29828 2.51222 -2.15898 -0.00111 -0.00264 -5.27108 0.0504 0 0 0 -1.95563 0 -0.01342 0.02197 0 2.22768 0.21705 0 -2.3716 -0.15683 0.36375 -4.61646
GLU_18 -4.32653 0.17228 5.40374 -0.16719 0.01442 0.21566 2.78245 -2.20378 -0.00166 -0.00634 -3.88991 -0.46198 0 0 0 -0.7309 0 0.02666 0.11643 0 3.73248 0.0029 0 -2.7348 0.005 0.26308 -1.78799
THR_19 -3.31666 0.30473 1.18514 -0.16328 0.07612 0.05688 0.48199 -1.02169 -0 -0 -0.37108 -0.27669 0 0 0 0 0 -0.02592 0.00075 0.22535 0 -0.18871 2.31753 -1.0874 0.05139 0.16628 -1.58528
TYR_20 -9.16673 0.79096 5.60109 -1.15987 0.16971 0.66433 3.69192 -3.27833 -0.00166 -0.00634 -3.63485 -0.27359 0 0 0 -0.5649 0 0.02392 0.13415 0 2.06916 -0.36193 0.00173 1.2797 -0.0933 0.29143 -3.8234
ASN_21 -6.83588 0.74681 6.51402 -0.22839 0.01327 0.33271 3.58007 -3.25726 -0 -0 -3.10879 -0.49705 0 0 -2.13358 0 0 -0.01115 0.06312 0 2.97324 0.18882 0 -0.93687 -0.21146 0.41923 -2.38913
TRP_22 -6.28888 0.55978 4.19074 -0.73533 0.15249 0.40453 1.84229 -2.6759 -0 -0 -1.64779 -0.41392 0 0 -0.10165 0 0 -0.14068 0.06104 0 2.90807 0.03016 0 1.6906 -0.23406 0.41412 0.01562
LYS_23 -2.24131 0.25345 2.44032 -0.32844 0.05164 0.18707 0.87566 -1.08344 -0 -0 -0.87933 -0.1878 0 0 -1.24869 0 0 -0.07249 0.00254 1.75388 0 -0.07179 0 -1.5107 -0.44392 0.35169 -2.15164
GLU_24 -4.71763 0.31565 5.42507 -0.1737 0.02185 0.23793 2.8722 -2.37998 -0 -0 -1.77783 -0.41097 0 0 -0.88489 0 0 0.00511 0.15774 0 3.38322 0.00874 0 -2.7348 -0.31463 0.31253 -0.65439
ASN_25 -4.39339 0.39789 3.32931 -0.20275 0.03502 0.32436 1.11392 -1.87083 -0 -0 -0.50166 -0.59177 0 0 -1.04921 0 0 -0.0636 0.00116 0 2.11087 -0.58035 0 -0.93687 -0.3401 0.29523 -2.92276
VAL_26 -3.18051 0.47352 2.1967 -0.27075 0.16495 0.05801 0.82594 -1.3183 -0 -0 0.32141 -0.35545 0 0 0 0 0 0.22092 3e-05 0.30183 0 -0.70382 0 1.9342 -0.1633 0.67675 1.18214
PRO_27 -3.99135 0.48051 1.44166 -0.07868 0 0.04764 0.25181 -0.67979 -0.00948 -0.02908 -0.14584 0.59614 0 0 0 0 0 -0.06907 0.02413 0.59663 0 -0.26871 0 -2.4119 -0.03795 0.84639 -3.43694
THR_28 -4.44581 0.42583 3.81052 -0.18328 0.16881 0.07682 1.53811 -2.04149 -0 -0 -1.14994 0.2349 0 0 0 0 0 0.04885 0.04025 0.1078 0 0.06603 2.31471 -1.0874 -0.06827 0.45096 0.30742
GLU_29 -2.76992 0.231 1.61863 -0.27859 0.04555 0.32992 0.29219 -0.91926 -0.00948 -0.02908 -0.2323 -0.26079 0 0 0 0 0 -0.01713 0.00294 0 2.9191 -0.00273 0 -2.7348 -0.03768 0.24871 -1.6037
ALA:CtermProteinFull_30 -1.41041 0.0537 1.39126 -0.0342 0.00606 0 0.71288 -0.72442 -0 -0 -0.50957 -0.31232 0 0 -1.04921 0 0 0 0 0 0 0 0 1.8394 -0.1448 0.17191 -0.00972
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

