REMARK ID 695943 DOMAINID 686676 MODEL 1 PA1-5
MODEL     1
REMARK    Rerank model05.pdb to model01.pdb score: 19.986
REMARK    S_0000_0001
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE     total_score:         -94.737
REMARK    SCORE          fa_dun:          37.200
REMARK    SCORE           omega:          -0.309
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE     rama_prepro:          -4.154
REMARK    SCORE     hbond_sr_bb:         -19.938
REMARK    SCORE     hbond_lr_bb:         -12.623
REMARK    SCORE          fa_sol:         143.081
REMARK    SCORE     hbond_bb_sc:          -4.395
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE          fa_rep:          20.525
REMARK    SCORE fa_intra_sol_xover4:           6.809
REMARK    SCORE             ref:          33.249
REMARK    SCORE           score:         -94.737
REMARK    SCORE     lk_ball_wtd:          -9.135
REMARK    SCORE          fa_atr:        -212.479
REMARK    SCORE     description: best_scoring0001_0001_0001
REMARK    SCORE        hbond_sc:          -3.022
REMARK    SCORE    fa_intra_rep:           0.359
REMARK    SCORE     cart_bonded:          18.842
REMARK    SCORE            time:           0.000
REMARK    SCORE         fa_elec:         -74.367
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE         p_aa_pp:         -14.381
ATOM      1  N   LYS A   1      -0.097  -0.118  -0.283  1.00  2.60           N  
ATOM      2  CA  LYS A   1       1.362  -0.058  -0.128  1.00  2.40           C  
ATOM      3  C   LYS A   1       1.990   1.334  -0.156  1.00  2.37           C  
ATOM      4  O   LYS A   1       1.963   2.026  -1.181  1.00  2.84           O  
ATOM      5  CB  LYS A   1       2.040  -0.928  -1.200  1.00  3.44           C  
ATOM      6  CG  LYS A   1       3.597  -0.807  -1.290  1.00  3.44           C  
ATOM      7  CD  LYS A   1       4.326  -1.335  -0.049  1.00  3.44           C  
ATOM      8  CE  LYS A   1       5.842  -1.236  -0.233  1.00  3.44           C  
ATOM      9  NZ  LYS A   1       6.586  -1.678   0.980  1.00  3.44           N  
ATOM     10 1H   LYS A   1      -0.345  -1.086  -0.421  1.00  3.12           H  
ATOM     11 2H   LYS A   1      -0.539   0.197   0.570  1.00  3.12           H  
ATOM     12 3H   LYS A   1      -0.451   0.411  -1.086  1.00  3.12           H  
ATOM     13  HA  LYS A   1       1.597  -0.489   0.845  1.00  2.88           H  
ATOM     14 1HB  LYS A   1       1.801  -1.976  -1.019  1.00  4.13           H  
ATOM     15 2HB  LYS A   1       1.636  -0.669  -2.179  1.00  4.13           H  
ATOM     16 1HG  LYS A   1       3.934  -1.388  -2.148  1.00  4.13           H  
ATOM     17 2HG  LYS A   1       3.894   0.231  -1.459  1.00  4.13           H  
ATOM     18 1HD  LYS A   1       4.060  -0.747   0.826  1.00  4.13           H  
ATOM     19 2HD  LYS A   1       4.052  -2.373   0.128  1.00  4.13           H  
ATOM     20 1HE  LYS A   1       6.139  -1.857  -1.075  1.00  4.13           H  
ATOM     21 2HE  LYS A   1       6.106  -0.199  -0.447  1.00  4.13           H  
ATOM     22 1HZ  LYS A   1       7.578  -1.593   0.817  1.00  4.13           H  
ATOM     23 2HZ  LYS A   1       6.323  -1.090   1.763  1.00  4.13           H  
ATOM     24 3HZ  LYS A   1       6.360  -2.638   1.189  1.00  4.13           H  
ATOM     25  N   TYR A   2       2.593   1.724   0.971  1.00  2.37           N  
ATOM     26  CA  TYR A   2       3.308   2.995   1.068  1.00  2.44           C  
ATOM     27  C   TYR A   2       4.757   2.908   0.636  1.00  2.04           C  
ATOM     28  O   TYR A   2       5.514   2.057   1.121  1.00  2.50           O  
ATOM     29  CB  TYR A   2       3.301   3.575   2.491  1.00  3.39           C  
ATOM     30  CG  TYR A   2       4.278   4.751   2.587  1.00  3.39           C  
ATOM     31  CD1 TYR A   2       4.086   5.922   1.868  1.00  3.39           C  
ATOM     32  CD2 TYR A   2       5.391   4.622   3.385  1.00  3.39           C  
ATOM     33  CE1 TYR A   2       5.017   6.933   1.931  1.00  3.39           C  
ATOM     34  CE2 TYR A   2       6.310   5.629   3.455  1.00  3.39           C  
ATOM     35  CZ  TYR A   2       6.140   6.771   2.727  1.00  3.39           C  
ATOM     36  OH  TYR A   2       7.099   7.752   2.791  1.00  3.39           O  
ATOM     37  H   TYR A   2       2.573   1.122   1.783  1.00  2.84           H  
ATOM     38  HA  TYR A   2       2.833   3.709   0.403  1.00  2.93           H  
ATOM     39 1HB  TYR A   2       2.321   3.904   2.790  1.00  4.07           H  
ATOM     40 2HB  TYR A   2       3.619   2.810   3.195  1.00  4.07           H  
ATOM     41  HD1 TYR A   2       3.213   6.033   1.243  1.00  4.07           H  
ATOM     42  HD2 TYR A   2       5.550   3.706   3.951  1.00  4.07           H  
ATOM     43  HE1 TYR A   2       4.875   7.847   1.352  1.00  4.07           H  
ATOM     44  HE2 TYR A   2       7.195   5.513   4.077  1.00  4.07           H  
ATOM     45  HH  TYR A   2       7.025   8.322   1.998  1.00  4.07           H  
ATOM     46  N   TYR A   3       5.138   3.836  -0.234  1.00  1.89           N  
ATOM     47  CA  TYR A   3       6.502   3.993  -0.688  1.00  1.96           C  
ATOM     48  C   TYR A   3       6.757   5.435  -1.124  1.00  1.93           C  
ATOM     49  O   TYR A   3       5.938   6.041  -1.822  1.00  2.40           O  
ATOM     50  CB  TYR A   3       6.803   3.044  -1.846  1.00  2.71           C  
ATOM     51  CG  TYR A   3       8.211   3.172  -2.353  1.00  2.71           C  
ATOM     52  CD1 TYR A   3       9.241   2.526  -1.699  1.00  2.71           C  
ATOM     53  CD2 TYR A   3       8.476   3.956  -3.467  1.00  2.71           C  
ATOM     54  CE1 TYR A   3      10.532   2.660  -2.153  1.00  2.71           C  
ATOM     55  CE2 TYR A   3       9.766   4.090  -3.920  1.00  2.71           C  
ATOM     56  CZ  TYR A   3      10.794   3.446  -3.267  1.00  2.71           C  
ATOM     57  OH  TYR A   3      12.087   3.578  -3.715  1.00  2.71           O  
ATOM     58  H   TYR A   3       4.424   4.473  -0.612  1.00  2.27           H  
ATOM     59  HA  TYR A   3       7.172   3.773   0.143  1.00  2.35           H  
ATOM     60 1HB  TYR A   3       6.643   2.014  -1.526  1.00  3.25           H  
ATOM     61 2HB  TYR A   3       6.119   3.244  -2.669  1.00  3.25           H  
ATOM     62  HD1 TYR A   3       9.031   1.913  -0.822  1.00  3.25           H  
ATOM     63  HD2 TYR A   3       7.661   4.468  -3.980  1.00  3.25           H  
ATOM     64  HE1 TYR A   3      11.347   2.152  -1.637  1.00  3.25           H  
ATOM     65  HE2 TYR A   3       9.976   4.707  -4.794  1.00  3.25           H  
ATOM     66  HH  TYR A   3      12.102   4.146  -4.489  1.00  3.25           H  
ATOM     67  N   GLY A   4       7.913   5.983  -0.770  1.00  1.74           N  
ATOM     68  CA  GLY A   4       8.243   7.305  -1.273  1.00  2.02           C  
ATOM     69  C   GLY A   4       7.266   8.402  -0.854  1.00  1.68           C  
ATOM     70  O   GLY A   4       7.115   8.719   0.329  1.00  2.00           O  
ATOM     71  H   GLY A   4       8.557   5.487  -0.170  1.00  2.09           H  
ATOM     72 1HA  GLY A   4       9.244   7.570  -0.931  1.00  2.42           H  
ATOM     73 2HA  GLY A   4       8.294   7.266  -2.360  1.00  2.42           H  
ATOM     74  N   ASN A   5       6.636   9.028  -1.846  1.00  1.86           N  
ATOM     75  CA  ASN A   5       5.718  10.132  -1.592  1.00  1.81           C  
ATOM     76  C   ASN A   5       4.226   9.785  -1.524  1.00  1.73           C  
ATOM     77  O   ASN A   5       3.398  10.712  -1.499  1.00  1.97           O  
ATOM     78  CB  ASN A   5       5.943  11.210  -2.632  1.00  2.56           C  
ATOM     79  CG  ASN A   5       7.287  11.872  -2.486  1.00  2.56           C  
ATOM     80  OD1 ASN A   5       7.788  12.085  -1.374  1.00  2.56           O  
ATOM     81  ND2 ASN A   5       7.889  12.204  -3.600  1.00  2.56           N  
ATOM     82  H   ASN A   5       6.789   8.711  -2.793  1.00  2.23           H  
ATOM     83  HA  ASN A   5       5.973  10.550  -0.618  1.00  2.17           H  
ATOM     84 1HB  ASN A   5       5.869  10.775  -3.629  1.00  3.07           H  
ATOM     85 2HB  ASN A   5       5.168  11.971  -2.548  1.00  3.07           H  
ATOM     86 1HD2 ASN A   5       8.786  12.647  -3.571  1.00  3.07           H  
ATOM     87 2HD2 ASN A   5       7.454  12.020  -4.481  1.00  3.07           H  
ATOM     88  N   GLY A   6       3.869   8.492  -1.475  1.00  1.68           N  
ATOM     89  CA  GLY A   6       2.446   8.134  -1.386  1.00  1.86           C  
ATOM     90  C   GLY A   6       2.122   6.639  -1.308  1.00  1.61           C  
ATOM     91  O   GLY A   6       2.997   5.773  -1.207  1.00  1.91           O  
ATOM     92  H   GLY A   6       4.591   7.763  -1.521  1.00  2.02           H  
ATOM     93 1HA  GLY A   6       2.026   8.608  -0.505  1.00  2.23           H  
ATOM     94 2HA  GLY A   6       1.917   8.562  -2.237  1.00  2.23           H  
ATOM     95  N   VAL A   7       0.823   6.345  -1.353  1.00  1.23           N  
ATOM     96  CA  VAL A   7       0.324   4.989  -1.215  1.00  1.08           C  
ATOM     97  C   VAL A   7      -0.393   4.465  -2.451  1.00  0.90           C  
ATOM     98  O   VAL A   7      -1.340   5.073  -2.965  1.00  0.94           O  
ATOM     99  CB  VAL A   7      -0.640   4.909  -0.017  1.00  1.57           C  
ATOM    100  CG1 VAL A   7      -1.182   3.509   0.125  1.00  1.57           C  
ATOM    101  CG2 VAL A   7       0.080   5.307   1.221  1.00  1.57           C  
ATOM    102  H   VAL A   7       0.161   7.113  -1.467  1.00  1.48           H  
ATOM    103  HA  VAL A   7       1.170   4.339  -1.025  1.00  1.30           H  
ATOM    104  HB  VAL A   7      -1.482   5.575  -0.183  1.00  1.88           H  
ATOM    105 1HG1 VAL A   7      -1.843   3.462   0.951  1.00  1.88           H  
ATOM    106 2HG1 VAL A   7      -1.718   3.205  -0.756  1.00  1.88           H  
ATOM    107 3HG1 VAL A   7      -0.365   2.832   0.292  1.00  1.88           H  
ATOM    108 1HG2 VAL A   7      -0.591   5.242   2.066  1.00  1.88           H  
ATOM    109 2HG2 VAL A   7       0.885   4.643   1.357  1.00  1.88           H  
ATOM    110 3HG2 VAL A   7       0.455   6.318   1.124  1.00  1.88           H  
ATOM    111  N   THR A   8       0.052   3.304  -2.913  1.00  0.98           N  
ATOM    112  CA  THR A   8      -0.572   2.653  -4.053  1.00  0.98           C  
ATOM    113  C   THR A   8      -1.873   2.028  -3.574  1.00  0.83           C  
ATOM    114  O   THR A   8      -1.899   1.293  -2.573  1.00  0.96           O  
ATOM    115  CB  THR A   8       0.353   1.594  -4.685  1.00  1.37           C  
ATOM    116  OG1 THR A   8       1.555   2.227  -5.153  1.00  1.37           O  
ATOM    117  CG2 THR A   8      -0.345   0.919  -5.859  1.00  1.37           C  
ATOM    118  H   THR A   8       0.836   2.864  -2.427  1.00  1.18           H  
ATOM    119  HA  THR A   8      -0.809   3.401  -4.810  1.00  1.18           H  
ATOM    120  HB  THR A   8       0.616   0.846  -3.939  1.00  1.64           H  
ATOM    121  HG1 THR A   8       2.068   2.536  -4.401  1.00  1.64           H  
ATOM    122 1HG2 THR A   8       0.327   0.196  -6.285  1.00  1.64           H  
ATOM    123 2HG2 THR A   8      -1.252   0.416  -5.525  1.00  1.64           H  
ATOM    124 3HG2 THR A   8      -0.602   1.668  -6.610  1.00  1.64           H  
ATOM    125  N   CYS A   9      -2.958   2.319  -4.297  1.00  0.90           N  
ATOM    126  CA  CYS A   9      -4.295   1.864  -3.948  1.00  1.05           C  
ATOM    127  C   CYS A   9      -5.048   1.285  -5.153  1.00  1.17           C  
ATOM    128  O   CYS A   9      -4.565   1.314  -6.301  1.00  1.36           O  
ATOM    129  CB  CYS A   9      -5.081   3.046  -3.388  1.00  1.41           C  
ATOM    130  SG  CYS A   9      -4.289   3.853  -1.974  1.00  1.41           S  
ATOM    131  H   CYS A   9      -2.864   2.911  -5.128  1.00  1.08           H  
ATOM    132  HA  CYS A   9      -4.213   1.096  -3.179  1.00  1.26           H  
ATOM    133 1HB  CYS A   9      -5.199   3.787  -4.172  1.00  1.69           H  
ATOM    134 2HB  CYS A   9      -6.071   2.728  -3.084  1.00  1.69           H  
ATOM    135  HG  CYS A   9      -3.100   4.046  -2.596  1.00  1.69           H  
ATOM    136  N   GLY A  10      -6.192   0.657  -4.885  1.00  1.33           N  
ATOM    137  CA  GLY A  10      -7.030   0.150  -5.972  1.00  1.60           C  
ATOM    138  C   GLY A  10      -6.442  -1.069  -6.686  1.00  1.73           C  
ATOM    139  O   GLY A  10      -6.718  -1.273  -7.869  1.00  1.99           O  
ATOM    140  H   GLY A  10      -6.516   0.603  -3.924  1.00  1.60           H  
ATOM    141 1HA  GLY A  10      -8.022  -0.087  -5.589  1.00  1.92           H  
ATOM    142 2HA  GLY A  10      -7.180   0.947  -6.696  1.00  1.92           H  
ATOM    143  N   LYS A  11      -5.602  -1.873  -6.009  1.00  2.21           N  
ATOM    144  CA  LYS A  11      -4.958  -3.013  -6.672  1.00  2.53           C  
ATOM    145  C   LYS A  11      -4.134  -2.526  -7.860  1.00  2.59           C  
ATOM    146  O   LYS A  11      -4.241  -3.062  -8.966  1.00  3.22           O  
ATOM    147  CB  LYS A  11      -5.970  -4.072  -7.142  1.00  3.42           C  
ATOM    148  CG  LYS A  11      -6.772  -4.773  -6.051  1.00  3.42           C  
ATOM    149  CD  LYS A  11      -7.736  -5.779  -6.700  1.00  3.42           C  
ATOM    150  CE  LYS A  11      -8.491  -6.646  -5.690  1.00  3.42           C  
ATOM    151  NZ  LYS A  11      -9.534  -7.482  -6.381  1.00  3.42           N  
ATOM    152  H   LYS A  11      -5.382  -1.687  -5.036  1.00  2.65           H  
ATOM    153  HA  LYS A  11      -4.275  -3.485  -5.965  1.00  3.04           H  
ATOM    154 1HB  LYS A  11      -6.672  -3.651  -7.852  1.00  4.10           H  
ATOM    155 2HB  LYS A  11      -5.426  -4.851  -7.676  1.00  4.10           H  
ATOM    156 1HG  LYS A  11      -6.099  -5.289  -5.366  1.00  4.10           H  
ATOM    157 2HG  LYS A  11      -7.339  -4.035  -5.489  1.00  4.10           H  
ATOM    158 1HD  LYS A  11      -8.473  -5.230  -7.293  1.00  4.10           H  
ATOM    159 2HD  LYS A  11      -7.176  -6.428  -7.371  1.00  4.10           H  
ATOM    160 1HE  LYS A  11      -7.782  -7.308  -5.197  1.00  4.10           H  
ATOM    161 2HE  LYS A  11      -8.964  -6.021  -4.938  1.00  4.10           H  
ATOM    162 1HZ  LYS A  11     -10.021  -8.074  -5.714  1.00  4.10           H  
ATOM    163 2HZ  LYS A  11     -10.215  -6.839  -6.845  1.00  4.10           H  
ATOM    164 3HZ  LYS A  11      -9.095  -8.065  -7.074  1.00  4.10           H  
ATOM    165  N   HIS A  12      -3.300  -1.514  -7.588  1.00  2.29           N  
ATOM    166  CA  HIS A  12      -2.420  -0.844  -8.549  1.00  2.47           C  
ATOM    167  C   HIS A  12      -3.198  -0.102  -9.640  1.00  2.15           C  
ATOM    168  O   HIS A  12      -2.796  -0.111 -10.807  1.00  2.27           O  
ATOM    169  CB  HIS A  12      -1.481  -1.864  -9.211  1.00  3.38           C  
ATOM    170  CG  HIS A  12      -0.693  -2.682  -8.235  1.00  3.38           C  
ATOM    171  ND1 HIS A  12       0.379  -2.181  -7.530  1.00  3.38           N  
ATOM    172  CD2 HIS A  12      -0.844  -3.963  -7.834  1.00  3.38           C  
ATOM    173  CE1 HIS A  12       0.856  -3.125  -6.738  1.00  3.38           C  
ATOM    174  NE2 HIS A  12       0.132  -4.214  -6.903  1.00  3.38           N  
ATOM    175  H   HIS A  12      -3.287  -1.194  -6.631  1.00  2.75           H  
ATOM    176  HA  HIS A  12      -1.814  -0.109  -8.029  1.00  2.96           H  
ATOM    177 1HB  HIS A  12      -2.040  -2.533  -9.860  1.00  4.06           H  
ATOM    178 2HB  HIS A  12      -0.772  -1.333  -9.843  1.00  4.06           H  
ATOM    179  HD1 HIS A  12       0.921  -1.383  -7.800  1.00  4.06           H  
ATOM    180  HD2 HIS A  12      -1.557  -4.742  -8.110  1.00  4.06           H  
ATOM    181  HE1 HIS A  12       1.712  -2.925  -6.092  1.00  4.06           H  
ATOM    182  N   SER A  13      -4.301   0.557  -9.258  1.00  1.89           N  
ATOM    183  CA  SER A  13      -5.111   1.309 -10.225  1.00  1.81           C  
ATOM    184  C   SER A  13      -5.067   2.814  -9.999  1.00  1.54           C  
ATOM    185  O   SER A  13      -5.345   3.603 -10.906  1.00  1.54           O  
ATOM    186  CB  SER A  13      -6.579   0.921 -10.132  1.00  2.57           C  
ATOM    187  OG  SER A  13      -6.797  -0.426 -10.422  1.00  2.57           O  
ATOM    188  H   SER A  13      -4.556   0.554  -8.269  1.00  2.27           H  
ATOM    189  HA  SER A  13      -4.742   1.096 -11.227  1.00  2.17           H  
ATOM    190 1HB  SER A  13      -6.950   1.145  -9.135  1.00  3.08           H  
ATOM    191 2HB  SER A  13      -7.144   1.534 -10.829  1.00  3.08           H  
ATOM    192  HG  SER A  13      -6.687  -0.884  -9.555  1.00  3.08           H  
ATOM    193  N   CYS A  14      -4.763   3.211  -8.774  1.00  1.48           N  
ATOM    194  CA  CYS A  14      -4.834   4.590  -8.339  1.00  1.30           C  
ATOM    195  C   CYS A  14      -3.977   4.804  -7.103  1.00  1.33           C  
ATOM    196  O   CYS A  14      -3.288   3.881  -6.659  1.00  1.54           O  
ATOM    197  CB  CYS A  14      -6.295   4.934  -8.099  1.00  1.89           C  
ATOM    198  SG  CYS A  14      -7.036   3.925  -6.843  1.00  1.89           S  
ATOM    199  H   CYS A  14      -4.524   2.515  -8.069  1.00  1.78           H  
ATOM    200  HA  CYS A  14      -4.455   5.227  -9.138  1.00  1.56           H  
ATOM    201 1HB  CYS A  14      -6.396   5.976  -7.802  1.00  2.27           H  
ATOM    202 2HB  CYS A  14      -6.856   4.795  -9.021  1.00  2.27           H  
ATOM    203  HG  CYS A  14      -6.567   4.628  -5.801  1.00  2.27           H  
ATOM    204  N   SER A  15      -3.934   6.027  -6.592  1.00  1.26           N  
ATOM    205  CA  SER A  15      -3.108   6.287  -5.423  1.00  1.45           C  
ATOM    206  C   SER A  15      -3.576   7.452  -4.565  1.00  1.31           C  
ATOM    207  O   SER A  15      -4.360   8.307  -4.991  1.00  1.38           O  
ATOM    208  CB  SER A  15      -1.675   6.538  -5.862  1.00  1.96           C  
ATOM    209  OG  SER A  15      -1.576   7.704  -6.631  1.00  1.96           O  
ATOM    210  H   SER A  15      -4.474   6.780  -6.993  1.00  1.51           H  
ATOM    211  HA  SER A  15      -3.124   5.397  -4.794  1.00  1.74           H  
ATOM    212 1HB  SER A  15      -1.040   6.631  -4.984  1.00  2.35           H  
ATOM    213 2HB  SER A  15      -1.312   5.685  -6.434  1.00  2.35           H  
ATOM    214  HG  SER A  15      -0.646   7.793  -6.849  1.00  2.35           H  
ATOM    215  N   VAL A  16      -3.049   7.467  -3.346  1.00  1.27           N  
ATOM    216  CA  VAL A  16      -3.268   8.501  -2.345  1.00  1.27           C  
ATOM    217  C   VAL A  16      -1.935   9.175  -2.015  1.00  1.27           C  
ATOM    218  O   VAL A  16      -0.952   8.500  -1.716  1.00  1.34           O  
ATOM    219  CB  VAL A  16      -3.899   7.874  -1.073  1.00  1.78           C  
ATOM    220  CG1 VAL A  16      -4.068   8.884  -0.028  1.00  1.78           C  
ATOM    221  CG2 VAL A  16      -5.236   7.302  -1.419  1.00  1.78           C  
ATOM    222  H   VAL A  16      -2.433   6.681  -3.119  1.00  1.52           H  
ATOM    223  HA  VAL A  16      -3.950   9.248  -2.752  1.00  1.52           H  
ATOM    224  HB  VAL A  16      -3.247   7.094  -0.689  1.00  2.14           H  
ATOM    225 1HG1 VAL A  16      -4.511   8.452   0.850  1.00  2.14           H  
ATOM    226 2HG1 VAL A  16      -3.125   9.302   0.227  1.00  2.14           H  
ATOM    227 3HG1 VAL A  16      -4.700   9.644  -0.407  1.00  2.14           H  
ATOM    228 1HG2 VAL A  16      -5.704   6.851  -0.567  1.00  2.14           H  
ATOM    229 2HG2 VAL A  16      -5.885   8.086  -1.803  1.00  2.14           H  
ATOM    230 3HG2 VAL A  16      -5.094   6.563  -2.165  1.00  2.14           H  
ATOM    231  N   ASP A  17      -1.867  10.502  -2.081  1.00  1.33           N  
ATOM    232  CA  ASP A  17      -0.597  11.152  -1.779  1.00  1.44           C  
ATOM    233  C   ASP A  17      -0.284  10.920  -0.319  1.00  1.30           C  
ATOM    234  O   ASP A  17      -1.195  10.695   0.475  1.00  1.22           O  
ATOM    235  CB  ASP A  17      -0.670  12.648  -2.051  1.00  1.98           C  
ATOM    236  CG  ASP A  17      -1.656  13.316  -1.138  1.00  1.98           C  
ATOM    237  OD1 ASP A  17      -2.811  13.356  -1.496  1.00  1.98           O  
ATOM    238  OD2 ASP A  17      -1.266  13.773  -0.056  1.00  1.98           O  
ATOM    239  H   ASP A  17      -2.684  11.062  -2.318  1.00  1.60           H  
ATOM    240  HA  ASP A  17       0.195  10.709  -2.386  1.00  1.73           H  
ATOM    241 1HB  ASP A  17       0.313  13.095  -1.905  1.00  2.38           H  
ATOM    242 2HB  ASP A  17      -0.963  12.821  -3.086  1.00  2.38           H  
ATOM    243  N   TRP A  18       0.976  11.032   0.069  1.00  1.45           N  
ATOM    244  CA  TRP A  18       1.290  10.815   1.465  1.00  1.40           C  
ATOM    245  C   TRP A  18       0.578  11.749   2.458  1.00  1.14           C  
ATOM    246  O   TRP A  18       0.398  11.365   3.616  1.00  1.14           O  
ATOM    247  CB  TRP A  18       2.793  10.807   1.704  1.00  1.98           C  
ATOM    248  CG  TRP A  18       3.148  10.411   3.088  1.00  1.98           C  
ATOM    249  CD1 TRP A  18       3.813  11.152   4.008  1.00  1.98           C  
ATOM    250  CD2 TRP A  18       2.819   9.153   3.747  1.00  1.98           C  
ATOM    251  NE1 TRP A  18       3.937  10.450   5.174  1.00  1.98           N  
ATOM    252  CE2 TRP A  18       3.331   9.224   5.028  1.00  1.98           C  
ATOM    253  CE3 TRP A  18       2.140   7.998   3.352  1.00  1.98           C  
ATOM    254  CZ2 TRP A  18       3.192   8.186   5.926  1.00  1.98           C  
ATOM    255  CZ3 TRP A  18       1.999   6.970   4.245  1.00  1.98           C  
ATOM    256  CH2 TRP A  18       2.511   7.055   5.499  1.00  1.98           C  
ATOM    257  H   TRP A  18       1.728  11.194  -0.607  1.00  1.74           H  
ATOM    258  HA  TRP A  18       0.963   9.819   1.679  1.00  1.68           H  
ATOM    259 1HB  TRP A  18       3.262  10.102   1.044  1.00  2.38           H  
ATOM    260 2HB  TRP A  18       3.209  11.790   1.494  1.00  2.38           H  
ATOM    261  HD1 TRP A  18       4.190  12.159   3.844  1.00  2.38           H  
ATOM    262  HE1 TRP A  18       4.387  10.780   6.013  1.00  2.38           H  
ATOM    263  HE3 TRP A  18       1.733   7.903   2.358  1.00  2.38           H  
ATOM    264  HZ2 TRP A  18       3.592   8.240   6.937  1.00  2.38           H  
ATOM    265  HZ3 TRP A  18       1.472   6.077   3.919  1.00  2.38           H  
ATOM    266  HH2 TRP A  18       2.384   6.219   6.182  1.00  2.38           H  
ATOM    267  N   GLY A  19       0.229  12.993   2.090  1.00  1.22           N  
ATOM    268  CA  GLY A  19      -0.437  13.865   3.059  1.00  1.37           C  
ATOM    269  C   GLY A  19      -1.778  13.244   3.451  1.00  1.33           C  
ATOM    270  O   GLY A  19      -2.067  12.985   4.637  1.00  1.63           O  
ATOM    271  H   GLY A  19       0.306  13.335   1.125  1.00  1.46           H  
ATOM    272 1HA  GLY A  19       0.195  13.997   3.936  1.00  1.64           H  
ATOM    273 2HA  GLY A  19      -0.599  14.844   2.607  1.00  1.64           H  
ATOM    274  N   LYS A  20      -2.597  13.003   2.427  1.00  1.19           N  
ATOM    275  CA  LYS A  20      -3.890  12.356   2.605  1.00  1.43           C  
ATOM    276  C   LYS A  20      -3.730  10.980   3.235  1.00  1.46           C  
ATOM    277  O   LYS A  20      -4.534  10.596   4.094  1.00  1.56           O  
ATOM    278  CB  LYS A  20      -4.654  12.257   1.280  1.00  1.91           C  
ATOM    279  CG  LYS A  20      -6.031  11.538   1.388  1.00  1.91           C  
ATOM    280  CD  LYS A  20      -6.818  11.531   0.055  1.00  1.91           C  
ATOM    281  CE  LYS A  20      -8.038  10.599   0.149  1.00  1.91           C  
ATOM    282  NZ  LYS A  20      -8.800  10.510  -1.147  1.00  1.91           N  
ATOM    283  H   LYS A  20      -2.273  13.286   1.486  1.00  1.43           H  
ATOM    284  HA  LYS A  20      -4.483  12.964   3.288  1.00  1.72           H  
ATOM    285 1HB  LYS A  20      -4.823  13.260   0.888  1.00  2.29           H  
ATOM    286 2HB  LYS A  20      -4.032  11.740   0.551  1.00  2.29           H  
ATOM    287 1HG  LYS A  20      -5.866  10.511   1.687  1.00  2.29           H  
ATOM    288 2HG  LYS A  20      -6.632  12.022   2.158  1.00  2.29           H  
ATOM    289 1HD  LYS A  20      -7.175  12.543  -0.143  1.00  2.29           H  
ATOM    290 2HD  LYS A  20      -6.190  11.232  -0.774  1.00  2.29           H  
ATOM    291 1HE  LYS A  20      -7.693   9.596   0.418  1.00  2.29           H  
ATOM    292 2HE  LYS A  20      -8.706  10.962   0.927  1.00  2.29           H  
ATOM    293 1HZ  LYS A  20      -9.585   9.873  -1.031  1.00  2.29           H  
ATOM    294 2HZ  LYS A  20      -9.142  11.420  -1.410  1.00  2.29           H  
ATOM    295 3HZ  LYS A  20      -8.196  10.153  -1.880  1.00  2.29           H  
ATOM    296  N   ALA A  21      -2.727  10.212   2.787  1.00  1.53           N  
ATOM    297  CA  ALA A  21      -2.521   8.875   3.305  1.00  1.79           C  
ATOM    298  C   ALA A  21      -2.203   8.895   4.774  1.00  1.62           C  
ATOM    299  O   ALA A  21      -2.800   8.148   5.538  1.00  1.69           O  
ATOM    300  CB  ALA A  21      -1.398   8.179   2.594  1.00  2.40           C  
ATOM    301  H   ALA A  21      -2.097  10.567   2.064  1.00  1.84           H  
ATOM    302  HA  ALA A  21      -3.443   8.331   3.158  1.00  2.15           H  
ATOM    303 1HB  ALA A  21      -1.291   7.188   3.003  1.00  2.88           H  
ATOM    304 2HB  ALA A  21      -1.592   8.121   1.527  1.00  2.88           H  
ATOM    305 3HB  ALA A  21      -0.518   8.732   2.772  1.00  2.88           H  
ATOM    306  N   THR A  22      -1.367   9.828   5.226  1.00  1.54           N  
ATOM    307  CA  THR A  22      -1.031   9.877   6.636  1.00  1.63           C  
ATOM    308  C   THR A  22      -2.315   9.991   7.435  1.00  1.41           C  
ATOM    309  O   THR A  22      -2.520   9.258   8.411  1.00  1.57           O  
ATOM    310  CB  THR A  22      -0.109  11.071   6.965  1.00  2.25           C  
ATOM    311  OG1 THR A  22       1.106  10.949   6.241  1.00  2.25           O  
ATOM    312  CG2 THR A  22       0.218  11.083   8.453  1.00  2.25           C  
ATOM    313  H   THR A  22      -0.879  10.448   4.577  1.00  1.85           H  
ATOM    314  HA  THR A  22      -0.525   8.952   6.911  1.00  1.96           H  
ATOM    315  HB  THR A  22      -0.599  12.003   6.682  1.00  2.70           H  
ATOM    316  HG1 THR A  22       0.923  11.075   5.279  1.00  2.70           H  
ATOM    317 1HG2 THR A  22       0.876  11.921   8.666  1.00  2.70           H  
ATOM    318 2HG2 THR A  22      -0.691  11.186   9.030  1.00  2.70           H  
ATOM    319 3HG2 THR A  22       0.715  10.152   8.721  1.00  2.70           H  
ATOM    320  N   THR A  23      -3.203  10.891   7.000  1.00  1.27           N  
ATOM    321  CA  THR A  23      -4.474  11.069   7.683  1.00  1.35           C  
ATOM    322  C   THR A  23      -5.312   9.786   7.639  1.00  1.31           C  
ATOM    323  O   THR A  23      -5.862   9.375   8.666  1.00  1.30           O  
ATOM    324  CB  THR A  23      -5.281  12.240   7.076  1.00  1.86           C  
ATOM    325  OG1 THR A  23      -4.544  13.464   7.229  1.00  1.86           O  
ATOM    326  CG2 THR A  23      -6.617  12.376   7.803  1.00  1.86           C  
ATOM    327  H   THR A  23      -2.952  11.478   6.196  1.00  1.52           H  
ATOM    328  HA  THR A  23      -4.271  11.304   8.726  1.00  1.62           H  
ATOM    329  HB  THR A  23      -5.458  12.058   6.016  1.00  2.23           H  
ATOM    330  HG1 THR A  23      -3.784  13.458   6.634  1.00  2.23           H  
ATOM    331 1HG2 THR A  23      -7.173  13.208   7.376  1.00  2.23           H  
ATOM    332 2HG2 THR A  23      -7.203  11.465   7.693  1.00  2.23           H  
ATOM    333 3HG2 THR A  23      -6.436  12.563   8.860  1.00  2.23           H  
ATOM    334  N   CYS A  24      -5.395   9.148   6.464  1.00  1.42           N  
ATOM    335  CA  CYS A  24      -6.178   7.928   6.277  1.00  1.62           C  
ATOM    336  C   CYS A  24      -5.664   6.784   7.147  1.00  1.54           C  
ATOM    337  O   CYS A  24      -6.435   5.984   7.675  1.00  1.68           O  
ATOM    338  CB  CYS A  24      -6.106   7.477   4.827  1.00  2.18           C  
ATOM    339  SG  CYS A  24      -6.933   8.575   3.673  1.00  2.18           S  
ATOM    340  H   CYS A  24      -4.929   9.573   5.657  1.00  1.70           H  
ATOM    341  HA  CYS A  24      -7.212   8.142   6.540  1.00  1.94           H  
ATOM    342 1HB  CYS A  24      -5.070   7.402   4.537  1.00  2.62           H  
ATOM    343 2HB  CYS A  24      -6.540   6.486   4.727  1.00  2.62           H  
ATOM    344  HG  CYS A  24      -6.028   9.590   3.802  1.00  2.62           H  
ATOM    345  N   ILE A  25      -4.367   6.689   7.309  1.00  1.45           N  
ATOM    346  CA  ILE A  25      -3.787   5.657   8.139  1.00  1.64           C  
ATOM    347  C   ILE A  25      -4.195   5.902   9.596  1.00  1.57           C  
ATOM    348  O   ILE A  25      -4.707   5.005  10.268  1.00  1.86           O  
ATOM    349  CB  ILE A  25      -2.266   5.624   7.908  1.00  2.23           C  
ATOM    350  CG1 ILE A  25      -2.022   5.136   6.424  1.00  2.23           C  
ATOM    351  CG2 ILE A  25      -1.587   4.693   8.932  1.00  2.23           C  
ATOM    352  CD1 ILE A  25      -0.649   5.370   5.889  1.00  2.23           C  
ATOM    353  H   ILE A  25      -3.771   7.346   6.807  1.00  1.74           H  
ATOM    354  HA  ILE A  25      -4.190   4.700   7.844  1.00  1.97           H  
ATOM    355  HB  ILE A  25      -1.864   6.637   7.997  1.00  2.68           H  
ATOM    356 1HG1 ILE A  25      -2.214   4.070   6.382  1.00  2.68           H  
ATOM    357 2HG1 ILE A  25      -2.729   5.638   5.768  1.00  2.68           H  
ATOM    358 1HG2 ILE A  25      -0.516   4.671   8.759  1.00  2.68           H  
ATOM    359 2HG2 ILE A  25      -1.770   5.054   9.943  1.00  2.68           H  
ATOM    360 3HG2 ILE A  25      -1.992   3.685   8.831  1.00  2.68           H  
ATOM    361 1HD1 ILE A  25      -0.595   4.997   4.867  1.00  2.68           H  
ATOM    362 2HD1 ILE A  25      -0.448   6.443   5.897  1.00  2.68           H  
ATOM    363 3HD1 ILE A  25       0.088   4.857   6.495  1.00  2.68           H  
ATOM    364  N   ILE A  26      -4.047   7.141  10.060  1.00  1.32           N  
ATOM    365  CA  ILE A  26      -4.386   7.522  11.432  1.00  1.46           C  
ATOM    366  C   ILE A  26      -5.857   7.283  11.760  1.00  1.36           C  
ATOM    367  O   ILE A  26      -6.186   6.799  12.845  1.00  1.52           O  
ATOM    368  CB  ILE A  26      -4.032   9.002  11.702  1.00  1.99           C  
ATOM    369  CG1 ILE A  26      -2.490   9.158  11.695  1.00  1.99           C  
ATOM    370  CG2 ILE A  26      -4.659   9.483  13.047  1.00  1.99           C  
ATOM    371  CD1 ILE A  26      -2.002  10.592  11.643  1.00  1.99           C  
ATOM    372  H   ILE A  26      -3.630   7.837   9.434  1.00  1.58           H  
ATOM    373  HA  ILE A  26      -3.792   6.907  12.104  1.00  1.75           H  
ATOM    374  HB  ILE A  26      -4.420   9.614  10.887  1.00  2.39           H  
ATOM    375 1HG1 ILE A  26      -2.086   8.689  12.590  1.00  2.39           H  
ATOM    376 2HG1 ILE A  26      -2.093   8.636  10.826  1.00  2.39           H  
ATOM    377 1HG2 ILE A  26      -4.415  10.521  13.222  1.00  2.39           H  
ATOM    378 2HG2 ILE A  26      -5.745   9.392  13.022  1.00  2.39           H  
ATOM    379 3HG2 ILE A  26      -4.271   8.876  13.866  1.00  2.39           H  
ATOM    380 1HD1 ILE A  26      -0.913  10.598  11.629  1.00  2.39           H  
ATOM    381 2HD1 ILE A  26      -2.380  11.064  10.735  1.00  2.39           H  
ATOM    382 3HD1 ILE A  26      -2.347  11.146  12.506  1.00  2.39           H  
ATOM    383  N   ASN A  27      -6.742   7.636  10.832  1.00  1.21           N  
ATOM    384  CA  ASN A  27      -8.178   7.500  11.028  1.00  1.30           C  
ATOM    385  C   ASN A  27      -8.765   6.183  10.502  1.00  1.32           C  
ATOM    386  O   ASN A  27      -9.983   6.073  10.346  1.00  1.44           O  
ATOM    387  CB  ASN A  27      -8.906   8.662  10.385  1.00  1.78           C  
ATOM    388  CG  ASN A  27      -8.657   9.978  11.064  1.00  1.78           C  
ATOM    389  OD1 ASN A  27      -8.388  10.074  12.271  1.00  1.78           O  
ATOM    390  ND2 ASN A  27      -8.771  11.020  10.289  1.00  1.78           N  
ATOM    391  H   ASN A  27      -6.397   8.067   9.970  1.00  1.45           H  
ATOM    392  HA  ASN A  27      -8.371   7.523  12.100  1.00  1.56           H  
ATOM    393 1HB  ASN A  27      -8.584   8.744   9.343  1.00  2.14           H  
ATOM    394 2HB  ASN A  27      -9.977   8.468  10.382  1.00  2.14           H  
ATOM    395 1HD2 ASN A  27      -8.633  11.938  10.659  1.00  2.14           H  
ATOM    396 2HD2 ASN A  27      -9.018  10.891   9.327  1.00  2.14           H  
ATOM    397  N   ASN A  28      -7.914   5.193  10.210  1.00  1.44           N  
ATOM    398  CA  ASN A  28      -8.287   3.866   9.713  1.00  1.62           C  
ATOM    399  C   ASN A  28      -8.869   3.802   8.289  1.00  1.48           C  
ATOM    400  O   ASN A  28      -9.396   2.760   7.885  1.00  1.53           O  
ATOM    401  CB  ASN A  28      -9.242   3.186  10.680  1.00  2.20           C  
ATOM    402  CG  ASN A  28      -8.635   2.999  12.030  1.00  2.20           C  
ATOM    403  OD1 ASN A  28      -7.448   2.677  12.160  1.00  2.20           O  
ATOM    404  ND2 ASN A  28      -9.426   3.189  13.051  1.00  2.20           N  
ATOM    405  H   ASN A  28      -6.904   5.341  10.340  1.00  1.73           H  
ATOM    406  HA  ASN A  28      -7.370   3.274   9.693  1.00  1.94           H  
ATOM    407 1HB  ASN A  28     -10.170   3.735  10.777  1.00  2.64           H  
ATOM    408 2HB  ASN A  28      -9.501   2.210  10.285  1.00  2.64           H  
ATOM    409 1HD2 ASN A  28      -9.077   3.081  13.981  1.00  2.64           H  
ATOM    410 2HD2 ASN A  28     -10.381   3.449  12.901  1.00  2.64           H  
ATOM    411  N   GLY A  29      -8.668   4.852   7.485  1.00  1.43           N  
ATOM    412  CA  GLY A  29      -9.039   4.859   6.070  1.00  1.45           C  
ATOM    413  C   GLY A  29      -8.257   3.732   5.413  1.00  1.27           C  
ATOM    414  O   GLY A  29      -8.747   3.035   4.526  1.00  1.27           O  
ATOM    415  H   GLY A  29      -8.195   5.661   7.866  1.00  1.72           H  
ATOM    416 1HA  GLY A  29     -10.111   4.703   5.958  1.00  1.74           H  
ATOM    417 2HA  GLY A  29      -8.781   5.818   5.621  1.00  1.74           H  
ATOM    418  N   ALA A  30      -7.054   3.505   5.927  1.00  1.23           N  
ATOM    419  CA  ALA A  30      -6.212   2.431   5.452  1.00  1.22           C  
ATOM    420  C   ALA A  30      -6.876   1.054   5.609  1.00  1.08           C  
ATOM    421  O   ALA A  30      -6.621   0.145   4.805  1.00  1.12           O  
ATOM    422  CB  ALA A  30      -4.886   2.474   6.164  1.00  1.71           C  
ATOM    423  H   ALA A  30      -6.709   4.172   6.623  1.00  1.48           H  
ATOM    424  HA  ALA A  30      -6.057   2.582   4.407  1.00  1.46           H  
ATOM    425 1HB  ALA A  30      -4.234   1.694   5.776  1.00  2.05           H  
ATOM    426 2HB  ALA A  30      -4.443   3.440   5.981  1.00  2.05           H  
ATOM    427 3HB  ALA A  30      -5.037   2.326   7.234  1.00  2.05           H  
ATOM    428  N   MET A  31      -7.697   0.859   6.655  1.00  1.05           N  
ATOM    429  CA  MET A  31      -8.347  -0.423   6.817  1.00  1.15           C  
ATOM    430  C   MET A  31      -9.335  -0.551   5.681  1.00  1.12           C  
ATOM    431  O   MET A  31      -9.438  -1.608   5.052  1.00  1.23           O  
ATOM    432  CB  MET A  31      -9.032  -0.533   8.174  1.00  1.57           C  
ATOM    433  CG  MET A  31      -8.072  -0.587   9.349  1.00  1.57           C  
ATOM    434  SD  MET A  31      -8.916  -0.684  10.934  1.00  1.57           S  
ATOM    435  CE  MET A  31      -7.521  -0.675  12.049  1.00  1.57           C  
ATOM    436  H   MET A  31      -7.938   1.601   7.306  1.00  1.26           H  
ATOM    437  HA  MET A  31      -7.608  -1.218   6.719  1.00  1.38           H  
ATOM    438 1HB  MET A  31      -9.695   0.315   8.319  1.00  1.88           H  
ATOM    439 2HB  MET A  31      -9.646  -1.433   8.199  1.00  1.88           H  
ATOM    440 1HG  MET A  31      -7.421  -1.452   9.246  1.00  1.88           H  
ATOM    441 2HG  MET A  31      -7.452   0.310   9.345  1.00  1.88           H  
ATOM    442 1HE  MET A  31      -7.878  -0.718  13.078  1.00  1.88           H  
ATOM    443 2HE  MET A  31      -6.888  -1.538  11.847  1.00  1.88           H  
ATOM    444 3HE  MET A  31      -6.943   0.232  11.905  1.00  1.88           H  
ATOM    445  N   ALA A  32     -10.060   0.544   5.410  1.00  1.12           N  
ATOM    446  CA  ALA A  32     -11.045   0.567   4.331  1.00  1.27           C  
ATOM    447  C   ALA A  32     -10.378   0.281   2.987  1.00  1.22           C  
ATOM    448  O   ALA A  32     -10.946  -0.412   2.134  1.00  1.36           O  
ATOM    449  CB  ALA A  32     -11.760   1.906   4.286  1.00  1.72           C  
ATOM    450  H   ALA A  32      -9.927   1.362   6.020  1.00  1.34           H  
ATOM    451  HA  ALA A  32     -11.778  -0.211   4.529  1.00  1.52           H  
ATOM    452 1HB  ALA A  32     -12.504   1.895   3.507  1.00  2.06           H  
ATOM    453 2HB  ALA A  32     -12.242   2.087   5.244  1.00  2.06           H  
ATOM    454 3HB  ALA A  32     -11.058   2.696   4.086  1.00  2.06           H  
ATOM    455  N   TRP A  33      -9.158   0.800   2.794  1.00  1.15           N  
ATOM    456  CA  TRP A  33      -8.448   0.555   1.542  1.00  1.28           C  
ATOM    457  C   TRP A  33      -8.319  -0.931   1.318  1.00  1.25           C  
ATOM    458  O   TRP A  33      -8.749  -1.443   0.279  1.00  1.40           O  
ATOM    459  CB  TRP A  33      -7.030   1.145   1.540  1.00  1.74           C  
ATOM    460  CG  TRP A  33      -6.944   2.628   1.470  1.00  1.74           C  
ATOM    461  CD1 TRP A  33      -7.886   3.494   1.034  1.00  1.74           C  
ATOM    462  CD2 TRP A  33      -5.816   3.436   1.867  1.00  1.74           C  
ATOM    463  NE1 TRP A  33      -7.431   4.763   1.121  1.00  1.74           N  
ATOM    464  CE2 TRP A  33      -6.165   4.745   1.646  1.00  1.74           C  
ATOM    465  CE3 TRP A  33      -4.550   3.145   2.395  1.00  1.74           C  
ATOM    466  CZ2 TRP A  33      -5.314   5.768   1.938  1.00  1.74           C  
ATOM    467  CZ3 TRP A  33      -3.710   4.185   2.700  1.00  1.74           C  
ATOM    468  CH2 TRP A  33      -4.079   5.449   2.474  1.00  1.74           C  
ATOM    469  H   TRP A  33      -8.772   1.419   3.516  1.00  1.38           H  
ATOM    470  HA  TRP A  33      -8.998   0.977   0.721  1.00  1.54           H  
ATOM    471 1HB  TRP A  33      -6.502   0.823   2.424  1.00  2.09           H  
ATOM    472 2HB  TRP A  33      -6.491   0.749   0.682  1.00  2.09           H  
ATOM    473  HD1 TRP A  33      -8.862   3.228   0.660  1.00  2.09           H  
ATOM    474  HE1 TRP A  33      -7.991   5.587   0.815  1.00  2.09           H  
ATOM    475  HE3 TRP A  33      -4.249   2.116   2.579  1.00  2.09           H  
ATOM    476  HZ2 TRP A  33      -5.594   6.793   1.766  1.00  2.09           H  
ATOM    477  HZ3 TRP A  33      -2.734   3.957   3.126  1.00  2.09           H  
ATOM    478  HH2 TRP A  33      -3.393   6.218   2.720  1.00  2.09           H  
ATOM    479  N   ALA A  34      -7.740  -1.610   2.323  1.00  1.19           N  
ATOM    480  CA  ALA A  34      -7.498  -3.051   2.314  1.00  1.40           C  
ATOM    481  C   ALA A  34      -8.774  -3.893   2.285  1.00  1.53           C  
ATOM    482  O   ALA A  34      -8.805  -4.966   1.677  1.00  1.78           O  
ATOM    483  CB  ALA A  34      -6.690  -3.422   3.544  1.00  1.88           C  
ATOM    484  H   ALA A  34      -7.444  -1.075   3.150  1.00  1.43           H  
ATOM    485  HA  ALA A  34      -6.923  -3.285   1.419  1.00  1.68           H  
ATOM    486 1HB  ALA A  34      -6.469  -4.486   3.527  1.00  2.26           H  
ATOM    487 2HB  ALA A  34      -5.762  -2.852   3.551  1.00  2.26           H  
ATOM    488 3HB  ALA A  34      -7.270  -3.180   4.438  1.00  2.26           H  
ATOM    489  N   THR A  35      -9.807  -3.432   2.992  1.00  1.47           N  
ATOM    490  CA  THR A  35     -11.076  -4.142   3.099  1.00  1.74           C  
ATOM    491  C   THR A  35     -11.757  -4.224   1.745  1.00  1.80           C  
ATOM    492  O   THR A  35     -12.224  -5.291   1.335  1.00  2.08           O  
ATOM    493  CB  THR A  35     -12.008  -3.451   4.119  1.00  2.33           C  
ATOM    494  OG1 THR A  35     -11.386  -3.455   5.420  1.00  2.33           O  
ATOM    495  CG2 THR A  35     -13.347  -4.183   4.204  1.00  2.33           C  
ATOM    496  H   THR A  35      -9.690  -2.565   3.513  1.00  1.76           H  
ATOM    497  HA  THR A  35     -10.877  -5.155   3.443  1.00  2.09           H  
ATOM    498  HB  THR A  35     -12.180  -2.426   3.809  1.00  2.80           H  
ATOM    499  HG1 THR A  35     -10.588  -2.885   5.392  1.00  2.80           H  
ATOM    500 1HG2 THR A  35     -13.983  -3.679   4.928  1.00  2.80           H  
ATOM    501 2HG2 THR A  35     -13.841  -4.177   3.229  1.00  2.80           H  
ATOM    502 3HG2 THR A  35     -13.179  -5.210   4.518  1.00  2.80           H  
ATOM    503  N   GLY A  36     -11.806  -3.091   1.052  1.00  1.75           N  
ATOM    504  CA  GLY A  36     -12.397  -2.999  -0.270  1.00  2.02           C  
ATOM    505  C   GLY A  36     -13.892  -2.705  -0.285  1.00  2.28           C  
ATOM    506  O   GLY A  36     -14.555  -2.603   0.755  1.00  2.74           O  
ATOM    507  H   GLY A  36     -11.423  -2.238   1.471  1.00  2.10           H  
ATOM    508 1HA  GLY A  36     -11.888  -2.208  -0.813  1.00  2.42           H  
ATOM    509 2HA  GLY A  36     -12.202  -3.921  -0.817  1.00  2.42           H  
ATOM    510  N   GLY A  37     -14.403  -2.507  -1.501  1.00  2.46           N  
ATOM    511  CA  GLY A  37     -15.802  -2.180  -1.760  1.00  3.17           C  
ATOM    512  C   GLY A  37     -16.636  -3.396  -2.152  1.00  3.28           C  
ATOM    513  O   GLY A  37     -16.238  -4.548  -1.964  1.00  3.67           O  
ATOM    514  H   GLY A  37     -13.756  -2.608  -2.285  1.00  2.95           H  
ATOM    515 1HA  GLY A  37     -16.236  -1.722  -0.873  1.00  3.80           H  
ATOM    516 2HA  GLY A  37     -15.853  -1.436  -2.554  1.00  3.80           H  
ATOM    517  N   HIS A  38     -17.785  -3.140  -2.775  1.00  3.44           N  
ATOM    518  CA  HIS A  38     -18.727  -4.184  -3.161  1.00  3.92           C  
ATOM    519  C   HIS A  38     -18.256  -5.003  -4.352  1.00  4.18           C  
ATOM    520  O   HIS A  38     -18.794  -6.070  -4.647  1.00  4.69           O  
ATOM    521  CB  HIS A  38     -20.050  -3.510  -3.457  1.00  5.30           C  
ATOM    522  CG  HIS A  38     -19.884  -2.493  -4.501  1.00  5.30           C  
ATOM    523  ND1 HIS A  38     -19.195  -1.308  -4.269  1.00  5.30           N  
ATOM    524  CD2 HIS A  38     -20.301  -2.442  -5.785  1.00  5.30           C  
ATOM    525  CE1 HIS A  38     -19.203  -0.580  -5.376  1.00  5.30           C  
ATOM    526  NE2 HIS A  38     -19.869  -1.244  -6.305  1.00  5.30           N  
ATOM    527  H   HIS A  38     -18.071  -2.175  -2.974  1.00  4.13           H  
ATOM    528  HA  HIS A  38     -18.870  -4.867  -2.324  1.00  4.70           H  
ATOM    529 1HB  HIS A  38     -20.777  -4.249  -3.796  1.00  6.36           H  
ATOM    530 2HB  HIS A  38     -20.441  -3.038  -2.558  1.00  6.36           H  
ATOM    531  HD2 HIS A  38     -20.873  -3.208  -6.308  1.00  6.36           H  
ATOM    532  HE1 HIS A  38     -18.742   0.400  -5.498  1.00  6.36           H  
ATOM    533  HE2 HIS A  38     -20.039  -0.934  -7.252  1.00  6.36           H  
ATOM    534  N   GLN A  39     -17.227  -4.505  -5.024  1.00  4.22           N  
ATOM    535  CA  GLN A  39     -16.645  -5.180  -6.170  1.00  4.76           C  
ATOM    536  C   GLN A  39     -15.520  -6.112  -5.732  1.00  4.79           C  
ATOM    537  O   GLN A  39     -14.917  -6.798  -6.555  1.00  5.13           O  
ATOM    538  CB  GLN A  39     -16.047  -4.166  -7.142  1.00  6.45           C  
ATOM    539  CG  GLN A  39     -17.014  -3.225  -7.791  1.00  6.45           C  
ATOM    540  CD  GLN A  39     -16.297  -2.189  -8.676  1.00  6.45           C  
ATOM    541  OE1 GLN A  39     -15.052  -2.158  -8.793  1.00  6.45           O  
ATOM    542  NE2 GLN A  39     -17.083  -1.324  -9.312  1.00  6.45           N  
ATOM    543  H   GLN A  39     -16.847  -3.623  -4.712  1.00  5.06           H  
ATOM    544  HA  GLN A  39     -17.415  -5.768  -6.667  1.00  5.71           H  
ATOM    545 1HB  GLN A  39     -15.305  -3.568  -6.623  1.00  7.74           H  
ATOM    546 2HB  GLN A  39     -15.537  -4.704  -7.937  1.00  7.74           H  
ATOM    547 1HG  GLN A  39     -17.708  -3.794  -8.408  1.00  7.74           H  
ATOM    548 2HG  GLN A  39     -17.551  -2.697  -7.017  1.00  7.74           H  
ATOM    549 1HE2 GLN A  39     -16.678  -0.625  -9.905  1.00  7.74           H  
ATOM    550 2HE2 GLN A  39     -18.076  -1.366  -9.208  1.00  7.74           H  
ATOM    551  N   GLY A  40     -15.164  -6.063  -4.441  1.00  4.86           N  
ATOM    552  CA  GLY A  40     -14.037  -6.818  -3.906  1.00  5.36           C  
ATOM    553  C   GLY A  40     -12.722  -6.074  -4.154  1.00  5.49           C  
ATOM    554  O   GLY A  40     -11.641  -6.535  -3.785  1.00  5.81           O  
ATOM    555  H   GLY A  40     -15.706  -5.510  -3.771  1.00  5.83           H  
ATOM    556 1HA  GLY A  40     -14.181  -6.963  -2.834  1.00  6.43           H  
ATOM    557 2HA  GLY A  40     -14.002  -7.803  -4.367  1.00  6.43           H  
ATOM    558  N   ASN A  41     -12.827  -4.914  -4.785  1.00  5.63           N  
ATOM    559  CA  ASN A  41     -11.684  -4.104  -5.141  1.00  6.18           C  
ATOM    560  C   ASN A  41     -11.352  -3.129  -4.037  1.00  6.22           C  
ATOM    561  O   ASN A  41     -12.222  -2.743  -3.255  1.00  6.76           O  
ATOM    562  CB  ASN A  41     -11.933  -3.425  -6.468  1.00  8.44           C  
ATOM    563  CG  ASN A  41     -12.029  -4.440  -7.605  1.00  8.44           C  
ATOM    564  OD1 ASN A  41     -11.344  -5.498  -7.633  1.00  8.44           O  
ATOM    565  ND2 ASN A  41     -12.871  -4.141  -8.565  1.00  8.44           N  
ATOM    566  H   ASN A  41     -13.753  -4.615  -5.042  1.00  6.76           H  
ATOM    567  HA  ASN A  41     -10.823  -4.752  -5.259  1.00  7.42           H  
ATOM    568 1HB  ASN A  41     -12.864  -2.857  -6.422  1.00 10.13           H  
ATOM    569 2HB  ASN A  41     -11.127  -2.722  -6.680  1.00 10.13           H  
ATOM    570 1HD2 ASN A  41     -12.982  -4.762  -9.340  1.00 10.13           H  
ATOM    571 2HD2 ASN A  41     -13.427  -3.282  -8.544  1.00 10.13           H  
ATOM    572  N   HIS A  42     -10.096  -2.710  -3.989  1.00  5.96           N  
ATOM    573  CA  HIS A  42      -9.615  -1.792  -2.966  1.00  6.34           C  
ATOM    574  C   HIS A  42     -10.124  -0.375  -3.123  1.00  6.40           C  
ATOM    575  O   HIS A  42     -10.412   0.090  -4.228  1.00  6.72           O  
ATOM    576  CB  HIS A  42      -8.097  -1.757  -2.950  1.00  8.73           C  
ATOM    577  CG  HIS A  42      -7.446  -2.986  -2.491  1.00  8.73           C  
ATOM    578  ND1 HIS A  42      -6.073  -3.134  -2.494  1.00  8.73           N  
ATOM    579  CD2 HIS A  42      -7.950  -4.147  -2.005  1.00  8.73           C  
ATOM    580  CE1 HIS A  42      -5.764  -4.335  -2.036  1.00  8.73           C  
ATOM    581  NE2 HIS A  42      -6.883  -4.964  -1.731  1.00  8.73           N  
ATOM    582  H   HIS A  42      -9.437  -3.051  -4.675  1.00  7.15           H  
ATOM    583  HA  HIS A  42      -9.938  -2.143  -1.988  1.00  7.61           H  
ATOM    584 1HB  HIS A  42      -7.748  -1.587  -3.936  1.00 10.48           H  
ATOM    585 2HB  HIS A  42      -7.758  -0.929  -2.322  1.00 10.48           H  
ATOM    586  HD2 HIS A  42      -9.003  -4.396  -1.852  1.00 10.48           H  
ATOM    587  HE1 HIS A  42      -4.758  -4.734  -1.924  1.00 10.48           H  
ATOM    588  HE2 HIS A  42      -6.955  -5.899  -1.352  1.00 10.48           H  
ATOM    589  N   LYS A  43     -10.200   0.304  -1.988  1.00  6.39           N  
ATOM    590  CA  LYS A  43     -10.600   1.708  -1.913  1.00  6.74           C  
ATOM    591  C   LYS A  43      -9.377   2.620  -2.003  1.00  6.45           C  
ATOM    592  O   LYS A  43      -8.238   2.142  -1.982  1.00  6.75           O  
ATOM    593  CB  LYS A  43     -11.455   1.987  -0.666  1.00  9.29           C  
ATOM    594  CG  LYS A  43     -12.813   1.294  -0.689  1.00  9.29           C  
ATOM    595  CD  LYS A  43     -13.630   1.605   0.560  1.00  9.29           C  
ATOM    596  CE  LYS A  43     -15.023   0.992   0.476  1.00  9.29           C  
ATOM    597  NZ  LYS A  43     -15.858   1.273   1.686  1.00  9.29           N  
ATOM    598  H   LYS A  43      -9.908  -0.209  -1.152  1.00  7.67           H  
ATOM    599  HA  LYS A  43     -11.224   1.926  -2.780  1.00  8.09           H  
ATOM    600 1HB  LYS A  43     -10.960   1.658   0.222  1.00 11.15           H  
ATOM    601 2HB  LYS A  43     -11.621   3.057  -0.564  1.00 11.15           H  
ATOM    602 1HG  LYS A  43     -13.366   1.605  -1.574  1.00 11.15           H  
ATOM    603 2HG  LYS A  43     -12.656   0.218  -0.745  1.00 11.15           H  
ATOM    604 1HD  LYS A  43     -13.121   1.164   1.412  1.00 11.15           H  
ATOM    605 2HD  LYS A  43     -13.707   2.680   0.709  1.00 11.15           H  
ATOM    606 1HE  LYS A  43     -15.527   1.396  -0.400  1.00 11.15           H  
ATOM    607 2HE  LYS A  43     -14.928  -0.074   0.364  1.00 11.15           H  
ATOM    608 1HZ  LYS A  43     -16.766   0.845   1.567  1.00 11.15           H  
ATOM    609 2HZ  LYS A  43     -15.419   0.885   2.507  1.00 11.15           H  
ATOM    610 3HZ  LYS A  43     -15.969   2.269   1.801  1.00 11.15           H  
ATOM    611  N   CYS A  44      -9.621   3.926  -2.152  1.00  6.14           N  
ATOM    612  CA  CYS A  44      -8.559   4.922  -2.291  1.00  6.08           C  
ATOM    613  C   CYS A  44      -8.932   6.295  -1.702  1.00  6.67           C  
ATOM    614  O   CYS A  44      -8.966   6.468  -0.478  1.00  7.00           O  
ATOM    615  OXT CYS A  44      -8.840   7.283  -2.433  1.00  9.12           O  
ATOM    616  CB  CYS A  44      -8.257   5.069  -3.774  1.00  8.24           C  
ATOM    617  SG  CYS A  44      -6.966   6.213  -4.186  1.00  8.24           S  
ATOM    618  H   CYS A  44     -10.581   4.241  -2.172  1.00  7.37           H  
ATOM    619  HA  CYS A  44      -7.668   4.551  -1.781  1.00  7.30           H  
ATOM    620 1HB  CYS A  44      -7.986   4.093  -4.156  1.00  9.89           H  
ATOM    621 2HB  CYS A  44      -9.160   5.383  -4.295  1.00  9.89           H  
ATOM    622  HG  CYS A  44      -7.429   7.168  -3.356  1.00  9.89           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 -212.474 20.5279 170.645 -11.7052 3.2144 7.89327 83.0219 -93.1498 -0.18405 -0.91493 -85.383 -16.5681 -22.5982 -14.3035 -5.69578 -3.04454 0 -0.37013 2.04534 13.2795 31.6834 -14.6199 11.7906 20.7953 -4.63453 19.2789 -101.47
LYS:NtermProteinFull_1 -3.53332 0.17213 4.14025 -0.6599 0.18906 0.35872 2.06321 -1.87109 -0.00562 -0.01277 -2.84287 0.88007 0 0 0 0 0 0.10309 0.14251 2.03723 0 0 0 -1.5107 0 0.32584 -0.02416
TYR_2 -7.3642 0.9882 2.37174 -0.99537 0.11405 0.23874 0.80166 -2.13001 -0.00546 -0.01235 -2.03828 -0.36151 0 0 -0.49909 0 0 0.15376 0.36014 0 2.6244 -0.04578 0.26313 1.2797 -0.14647 0.73289 -3.67007
TYR_3 -3.5507 0.27215 3.41644 -0.80935 0.063 0.11137 1.764 -1.84473 -0.00016 -0.00042 -1.47598 -0.50275 0 0 0 0 0 0.08052 0.01148 0 1.79971 -0.27859 2e-05 1.2797 0.09844 0.53479 0.96893
GLY_4 -2.25725 0.1632 2.2065 -0.00015 0 0 0.77998 -1.22984 -0 -0 -0.67991 -0.31154 0 0 -0.49909 0 0 -0.26029 0 0 0 -1.32365 0 0.83697 0.35806 0.21012 -2.00689
ASN_5 -1.99509 0.13843 1.97461 -0.20089 0.06031 0.33102 1.08885 -1.03613 -0 -0 -1.45289 -0.43296 0 0 0 0 0 -0.05639 0.01206 0 2.01151 -0.54168 0 -0.93687 -0.28572 0.34955 -0.97228
GLY_6 -3.96329 0.26131 3.24764 -0.00101 0 0 2.13668 -1.92392 -0.01653 -0.06224 -1.92393 -0.31781 0 0 0 0 0 -0.05418 0 0 0 -1.38598 0 0.83697 -0.16133 0.49336 -2.83426
VAL_7 -7.75977 1.00833 3.01459 -0.28374 0.24173 0.06118 2.67287 -2.52163 -0 -0 -3.04693 -0.22451 0 0 0 0 0 0.01536 0.01293 0.27663 0 -0.7813 0 1.9342 0.01928 0.39748 -4.96329
THR_8 -4.13236 0.28551 3.21863 -0.16957 0.07498 0.05939 2.01845 -1.80115 -0.01653 -0.06224 -2.12365 -0.05697 0 0 0 0 0 0.03148 0.00565 0.05859 0 0.05001 2.30498 -1.0874 -0.24693 0.30581 -1.28332
CYS_9 -8.36775 0.46843 4.76573 -0.04464 0 0.01206 2.77933 -2.5566 -0.01583 -0.10924 -2.89678 -0.75497 0 0 0 0 0 0.00958 0.02158 0.46957 0 -0.12546 0 3.6196 0.14438 0.36377 -2.21725
GLY_10 -3.70676 0.48954 3.63074 -4e-05 0 0 1.24392 -1.81974 -0.00213 -0.00587 -0.72374 -0.39981 0 0 -0.4318 0 0 -0.10511 0 0 0 -1.12022 0 0.83697 -0.22486 0.36736 -1.97156
LYS_11 -4.7924 0.42689 5.35635 -0.31825 0.04658 0.19354 1.72925 -2.28861 -7e-05 -0.00018 -1.25552 -0.365 0 0 0 -0.70005 0 -0.05233 0.27799 1.52861 0 -0.18788 0 -1.5107 -0.40926 0.45152 -1.86953
HIS_D_12 -2.67163 0.33266 2.13989 -0.41908 0.0233 0.57351 0.38117 -1.29372 -0 -0 0.09797 -0.55944 0 0 0 0 0 -0.08878 0.06415 0 1.63225 -0.41538 0 -0.45461 -0.11405 0.39146 -0.38035
SER_13 -2.62501 0.13169 3.23342 -0.03126 0.0021 0.02493 1.49411 -1.47306 -0 -0 -1.54477 -0.05009 0 0 -0.4318 0 0 0.05955 0.02262 0.5144 0 0.07411 1.72219 -0.77834 0.11098 0.40407 0.85984
CYS_14 -4.80388 0.43898 3.37717 -0.07315 0 0.04698 1.68065 -1.64429 -0.00635 -0.07417 -2.08366 -0.09859 0 0 0 0 0 0.01915 0.12439 0.24158 0 -0.43485 0 3.6196 0.2583 0.60292 1.19077
SER_15 -3.27238 0.18746 1.84046 -0.02625 0 0.06245 0.57983 -1.04728 -0 -0 -0.19523 -0.192 0 0 0 0 0 -0.01242 0.01252 0.04725 0 -0.53615 0.60063 -0.77834 -0.12182 0.48292 -2.36834
VAL_16 -7.64372 1.23104 2.87989 -0.27748 0.19654 0.05678 2.36899 -2.2685 -0.00948 -0.03507 -2.66954 -0.25591 0 0 0 0 0 -0.06873 0.00543 0.29433 0 -0.79283 0 1.9342 -0.38755 0.49478 -4.94684
ASP_17 -4.65129 0.34451 6.17377 -0.31169 0.02619 1.08794 3.54557 -2.93155 -0 -0 -5.89912 -0.6181 0 0 -1.24269 0 0 0.02069 0.00158 0 3.8496 0.04255 0 -2.3716 -0.30597 0.54687 -2.69274
TRP_18 -8.77783 1.07185 3.76223 -1.49489 0.41935 0.88263 2.61638 -2.93234 -0 -0 -2.66908 -0.15232 0 0 0 0 0 -0.09155 0.05743 0 3.03994 0.09643 0 1.6906 -0.31749 0.96576 -1.83289
GLY_19 -2.86421 0.23619 4.39901 -5e-05 0 0 2.16749 -2.01622 -0 -0 -2.29048 -0.3931 0 0 -0.43267 0 0 0.04799 0 0 0 0.09532 0 0.83697 0.452 0.83014 1.06839
LYS_20 -6.09561 0.48542 6.30066 -0.42485 0.07247 0.25351 2.69741 -2.84988 -0 -0 -4.49647 -0.21747 0 0 -0.81002 0 0 -0.04449 0.31085 2.08735 0 0.00164 0 -1.5107 0.49204 0.29197 -3.45618
ALA_21 -7.75065 1.14739 4.10424 -0.02248 0 0 2.87366 -3.26908 -0.01001 -0.06769 -2.55126 -0.33291 0 0 0 0 0 -0.01863 0 0 0 -0.17806 0 1.8394 -0.34926 0.5159 -4.06946
THR_22 -6.03694 0.37706 6.31166 -0.1997 0.10719 0.0717 3.12418 -3.1053 -0 -0 -3.74792 -0.05853 0 0 0 0 0 0.01927 0.00114 0.07059 0 0.03923 2.2979 -1.0874 -0.07521 0.46619 -1.42487
THR_23 -4.87431 0.275 5.52456 -0.20569 0.14612 0.07501 2.4718 -2.69064 -0 -0 -2.42622 -0.12981 0 0 0 0 0 -0.02393 1e-05 0.07726 0 -0.00963 2.27367 -1.0874 0.11847 0.23388 -0.25185
CYS_24 -7.76941 0.59379 6.03706 -0.05125 0 0.01704 3.27275 -3.16484 -0 -0 -3.63515 0.04907 0 0 0 0 0 0.0365 0.02821 0.29074 0 0.27635 0 3.6196 0.0835 0.2593 -0.05675
ILE_25 -6.20592 0.47105 4.00211 -0.48467 0.25381 0.09233 2.02161 -2.53869 -0.0076 -0.05207 -1.56792 0.07672 0 0 0 0 0 -0.0691 0.11955 0.50893 0 -0.4838 0 0.73287 0.08713 0.4977 -2.54594
ILE_26 -4.12433 0.22194 3.3941 -0.50759 0.40069 0.1043 1.58129 -1.86765 -0.01001 -0.06769 -0.54296 0.02006 0 0 0 0 0 -0.04116 0.01603 0.66807 0 -0.32612 0 0.73287 0.01518 0.49894 0.16594
ASN_27 -3.56044 0.26687 3.50225 -0.1942 0.05565 0.32358 1.47936 -1.88956 -0 -0 -1.15658 -0.43247 0 0 0 0 0 -0.06969 0.01163 0 2.14984 -0.63162 0 -0.93687 -0.30901 0.33788 -1.05339
ASN_28 -4.95417 0.67718 4.86416 -0.19553 0.04212 0.33 2.4582 -2.48824 -0.0076 -0.05207 -2.33953 -0.91062 0 0 0 0 0 0.16421 0.03947 0 1.68898 -0.63399 0 -0.93687 -0.4435 0.58417 -2.11363
GLY_29 -4.0514 0.52637 4.27894 -5e-05 0 0 2.82005 -2.36431 -0 -0 -1.91924 -0.45312 0 0 0 0 0 0.05564 0 0 0 0.45323 0 0.83697 -0.04983 0.61622 0.74946
ALA_30 -5.28407 1.02217 3.28274 -0.02344 0 0 1.7227 -2.38502 -0 -0 -0.92017 -0.39897 0 0 0 0 0 -0.02666 0 0 0 -0.35706 0 1.8394 -0.253 0.50623 -1.27514
MET_31 -5.16924 0.43774 5.072 -0.20062 0.01976 0.06308 2.75095 -2.51437 -0 -0 -3.02523 -0.25442 0 0 0 0 0 0.02241 0.00265 2.13104 0 0.10018 0 0.60916 -0.29156 0.45742 0.21097
ALA_32 -4.71351 0.40862 4.80031 -0.02196 0 0 2.42385 -2.60706 -0.01998 -0.07825 -1.46706 -0.38171 0 0 0 0 0 -0.00046 0 0 0 -0.3401 0 1.8394 -0.22296 0.31085 -0.07002
TRP_33 -12.3766 1.65403 5.58048 -0.69785 0.12925 0.35277 3.36967 -4.051 -0 -0 -2.81005 -0.36498 0 0 -0.67431 0 0 0.01003 0.00477 0 3.43257 -0.42684 0 1.6906 -0.05196 0.5569 -4.67252
ALA_34 -2.92173 0.10194 3.00387 -0.02347 0 0 1.24929 -1.71482 -0.0018 -0.00728 -0.75729 -0.34206 0 0 0 0 0 -0.05719 0 0 0 -0.22148 0 1.8394 -0.0091 0.58747 0.72574
THR_35 -2.93385 0.10734 3.61121 -0.20132 0.11406 0.07231 1.69046 -1.68151 -0.00056 -0.01193 -2.21853 -0.10867 0 0 0 0 0 0.05682 0.00118 0.07044 0 -0.02805 2.32803 -1.0874 -0.1679 0.21904 -0.16881
GLY_36 -3.42134 0.29079 3.01123 -0.00026 0 0 1.17355 -1.64533 -0 -0 -1.39858 -0.18622 0 0 0 0 0 -0.06541 0 0 0 -1.5121 0 0.83697 0.11065 0.24294 -2.5631
GLY_37 -2.50091 0.18367 3.36581 -0.0003 0 0 1.43862 -1.60255 -0.00056 -0.01193 -1.72549 -0.17915 0 0 0 0 0 -0.11685 0 0 0 -1.07066 0 0.83697 0.12407 0.30227 -0.957
HIS_38 -2.09515 0.13568 2.13441 -0.79121 0.02538 0.91081 0.40762 -1.00765 -0.01189 -0.04995 0.24385 -2.76299 0 0 0 0 0 0.01056 0.26514 0 1.72996 -0.10098 0 -0.45461 -0.11332 0.34261 -1.18173
GLN_39 -3.65728 0.4568 3.57602 -0.28826 0.04577 0.24548 1.07427 -1.66997 -0.01189 -0.04995 0.22413 -0.63877 0 0 0 -0.82222 0 0.01939 0.01882 0 2.85248 -0.20264 0 -0.18838 -0.52116 0.41728 0.8799
GLY_40 -2.01623 0.10391 2.73134 -6e-05 0 0 0.84074 -1.32184 -0 -0 -1.39682 -0.41993 0 0 0 0 0 -0.17596 0 0 0 -1.44469 0 0.83697 -0.86881 0.25281 -2.87856
ASN_41 -4.79518 0.47404 5.28914 -0.1651 0.0165 0.23152 2.71997 -2.46186 -0 -0 -2.83557 -0.25503 0 0 0 -1.52227 0 0.13203 0.0108 0 1.71895 0.04758 0 -0.93687 -0.53002 0.1974 -2.66397
HIS_42 -5.67262 0.28599 4.27272 -0.43313 0.10968 0.40487 1.43228 -2.16023 -0.00187 -0.00746 -0.8373 -0.3365 0 0 0 0 0 -0.00546 0.00312 0 3.15321 0.01145 0 -0.45461 -0.16902 0.3599 -0.04499
LYS_43 -5.55313 0.46563 4.72048 -0.27886 0.03328 0.11678 1.25682 -2.19299 -0.02211 -0.08412 -1.54908 0.05223 0 0 0 0 0 0.06662 0.07013 1.7545 0 0.0296 0 -1.5107 -0.07852 0.4041 -2.29934
CYS:CtermProteinFull_44 -5.20675 0.70903 2.72436 -0.17654 0.18547 0.12693 0.75839 -1.27503 -0 -0 -2.81223 -2.43452 0 0 -0.67431 0 0 0 0.00937 0.15245 0 0 0 3.6196 0.11861 0.5681 -3.60707
#END_POSE_ENERGIES_TABLE best_scoring0001_0001.pdb

ENDMDL

REMARK ID 695943 DOMAINID 686676 MODEL 2 PA1-5
MODEL     2
REMARK    Rerank model01.pdb to model02.pdb score: 19.789
REMARK    CLUSTER 0001 t000_.out.valid.rescored.best_scoring.binary cluster_size: 20 cluster_threshold: 2.804607
REMARK    SCORE           score:         -73.058
REMARK    SCORE     description: cluster0001_0001
REMARK    SCORE          fa_atr:        -201.534
REMARK    SCORE     lk_ball_wtd:          -8.816
REMARK    SCORE         fa_elec:         -70.718
REMARK    SCORE            time:           0.000
REMARK    SCORE     cart_bonded:          18.720
REMARK    SCORE    fa_intra_rep:           0.329
REMARK    SCORE        hbond_sc:          -1.769
REMARK    SCORE         p_aa_pp:          -8.970
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE          fa_dun:          35.794
REMARK    SCORE     total_score:         -73.058
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE     hbond_lr_bb:          -6.312
REMARK    SCORE     rama_prepro:           0.093
REMARK    SCORE     hbond_sr_bb:         -23.227
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE           omega:           0.031
REMARK    SCORE     hbond_bb_sc:          -5.583
REMARK    SCORE          fa_rep:          19.205
REMARK    SCORE       dslf_fa13:          -0.853
REMARK    SCORE          fa_sol:         141.110
REMARK    SCORE             ref:          33.249
REMARK    SCORE fa_intra_sol_xover4:           6.193
SSBOND     CYS A    9    CYS A   44                                       2.02  
ATOM      1  N   LYS A   1      -0.228   0.325  -1.817  1.00  2.310          N  
ATOM      2  CA  LYS A   1       1.000   0.005  -1.099  1.00  2.080          C  
ATOM      3  C   LYS A   1       1.709   1.273  -0.656  1.00  2.070          C  
ATOM      4  O   LYS A   1       1.191   2.377  -0.836  1.00  2.680          O  
ATOM      5  CB  LYS A   1       1.928  -0.851  -1.975  1.00  3.000          C  
ATOM      6  CG  LYS A   1       1.405  -2.249  -2.308  1.00  3.000          C  
ATOM      7  CD  LYS A   1       2.435  -3.049  -3.097  1.00  3.000          C  
ATOM      8  CE  LYS A   1       1.923  -4.454  -3.419  1.00  3.000          C  
ATOM      9  NZ  LYS A   1       2.917  -5.255  -4.190  1.00  3.000          N  
ATOM     10 1H   LYS A   1      -1.016  -0.112  -1.360  1.00  2.770          H  
ATOM     11 2H   LYS A   1      -0.357   1.327  -1.828  1.00  2.770          H  
ATOM     12 3H   LYS A   1      -0.152  -0.015  -2.763  1.00  2.770          H  
ATOM     13  HA  LYS A   1       0.745  -0.561  -0.202  1.00  2.500          H  
ATOM     14 1HB  LYS A   1       2.101  -0.337  -2.915  1.00  3.600          H  
ATOM     15 2HB  LYS A   1       2.892  -0.966  -1.503  1.00  3.600          H  
ATOM     16 1HG  LYS A   1       1.181  -2.781  -1.381  1.00  3.600          H  
ATOM     17 2HG  LYS A   1       0.492  -2.177  -2.896  1.00  3.600          H  
ATOM     18 1HD  LYS A   1       2.673  -2.527  -4.026  1.00  3.600          H  
ATOM     19 2HD  LYS A   1       3.348  -3.133  -2.503  1.00  3.600          H  
ATOM     20 1HE  LYS A   1       1.702  -4.972  -2.486  1.00  3.600          H  
ATOM     21 2HE  LYS A   1       1.007  -4.373  -4.003  1.00  3.600          H  
ATOM     22 1HZ  LYS A   1       2.536  -6.173  -4.378  1.00  3.600          H  
ATOM     23 2HZ  LYS A   1       3.122  -4.794  -5.065  1.00  3.600          H  
ATOM     24 3HZ  LYS A   1       3.767  -5.349  -3.653  1.00  3.600          H  
ATOM     25  N   TYR A   2       2.893   1.113  -0.084  1.00  2.080          N  
ATOM     26  CA  TYR A   2       3.692   2.233   0.377  1.00  2.260          C  
ATOM     27  C   TYR A   2       4.848   2.396  -0.584  1.00  1.800          C  
ATOM     28  O   TYR A   2       5.386   1.408  -1.088  1.00  2.190          O  
ATOM     29  CB  TYR A   2       4.222   1.948   1.783  1.00  3.090          C  
ATOM     30  CG  TYR A   2       3.188   1.864   2.859  1.00  3.090          C  
ATOM     31  CD1 TYR A   2       2.559   0.652   3.100  1.00  3.090          C  
ATOM     32  CD2 TYR A   2       2.881   2.969   3.623  1.00  3.090          C  
ATOM     33  CE1 TYR A   2       1.617   0.553   4.096  1.00  3.090          C  
ATOM     34  CE2 TYR A   2       1.939   2.872   4.623  1.00  3.090          C  
ATOM     35  CZ  TYR A   2       1.307   1.673   4.861  1.00  3.090          C  
ATOM     36  OH  TYR A   2       0.365   1.583   5.860  1.00  3.090          O  
ATOM     37  H   TYR A   2       3.290   0.178   0.049  1.00  2.500          H  
ATOM     38  HA  TYR A   2       3.096   3.145   0.367  1.00  2.710          H  
ATOM     39 1HB  TYR A   2       4.703   1.002   1.766  1.00  3.710          H  
ATOM     40 2HB  TYR A   2       4.966   2.695   2.065  1.00  3.710          H  
ATOM     41  HD1 TYR A   2       2.811  -0.220   2.498  1.00  3.710          H  
ATOM     42  HD2 TYR A   2       3.384   3.920   3.441  1.00  3.710          H  
ATOM     43  HE1 TYR A   2       1.119  -0.397   4.285  1.00  3.710          H  
ATOM     44  HE2 TYR A   2       1.700   3.747   5.230  1.00  3.710          H  
ATOM     45  HH  TYR A   2       0.253   2.444   6.272  1.00  3.710          H  
ATOM     46  N   TYR A   3       5.269   3.621  -0.850  1.00  1.860          N  
ATOM     47  CA  TYR A   3       6.399   3.742  -1.752  1.00  2.000          C  
ATOM     48  C   TYR A   3       7.488   4.653  -1.245  1.00  2.200          C  
ATOM     49  O   TYR A   3       7.225   5.717  -0.675  1.00  2.630          O  
ATOM     50  CB  TYR A   3       5.918   4.203  -3.125  1.00  2.740          C  
ATOM     51  CG  TYR A   3       4.957   3.223  -3.788  1.00  2.740          C  
ATOM     52  CD1 TYR A   3       3.585   3.326  -3.571  1.00  2.740          C  
ATOM     53  CD2 TYR A   3       5.450   2.221  -4.606  1.00  2.740          C  
ATOM     54  CE1 TYR A   3       2.724   2.440  -4.172  1.00  2.740          C  
ATOM     55  CE2 TYR A   3       4.585   1.336  -5.206  1.00  2.740          C  
ATOM     56  CZ  TYR A   3       3.227   1.445  -4.995  1.00  2.740          C  
ATOM     57  OH  TYR A   3       2.365   0.565  -5.611  1.00  2.740          O  
ATOM     58  H   TYR A   3       4.826   4.435  -0.445  1.00  2.230          H  
ATOM     59  HA  TYR A   3       6.860   2.760  -1.869  1.00  2.400          H  
ATOM     60 1HB  TYR A   3       5.421   5.167  -3.035  1.00  3.290          H  
ATOM     61 2HB  TYR A   3       6.780   4.336  -3.781  1.00  3.290          H  
ATOM     62  HD1 TYR A   3       3.191   4.110  -2.924  1.00  3.290          H  
ATOM     63  HD2 TYR A   3       6.527   2.132  -4.775  1.00  3.290          H  
ATOM     64  HE1 TYR A   3       1.652   2.525  -4.000  1.00  3.290          H  
ATOM     65  HE2 TYR A   3       4.978   0.550  -5.851  1.00  3.290          H  
ATOM     66  HH  TYR A   3       2.874  -0.106  -6.074  1.00  3.290          H  
ATOM     67  N   GLY A   4       8.711   4.221  -1.508  1.00  2.310          N  
ATOM     68  CA  GLY A   4       9.918   4.949  -1.182  1.00  2.830          C  
ATOM     69  C   GLY A   4      10.591   5.405  -2.457  1.00  2.470          C  
ATOM     70  O   GLY A   4      10.101   5.147  -3.567  1.00  2.260          O  
ATOM     71  H   GLY A   4       8.777   3.309  -1.966  1.00  2.770          H  
ATOM     72 1HA  GLY A   4       9.681   5.801  -0.558  1.00  3.400          H  
ATOM     73 2HA  GLY A   4      10.587   4.307  -0.608  1.00  3.400          H  
ATOM     74  N   ASN A   5      11.791   5.941  -2.348  1.00  2.910          N  
ATOM     75  CA  ASN A   5      12.447   6.442  -3.543  1.00  2.790          C  
ATOM     76  C   ASN A   5      13.045   5.318  -4.369  1.00  2.400          C  
ATOM     77  O   ASN A   5      14.226   4.982  -4.241  1.00  2.350          O  
ATOM     78  CB  ASN A   5      13.487   7.472  -3.168  1.00  3.950          C  
ATOM     79  CG  ASN A   5      12.853   8.710  -2.582  1.00  3.950          C  
ATOM     80  OD1 ASN A   5      11.787   9.160  -3.028  1.00  3.950          O  
ATOM     81  ND2 ASN A   5      13.488   9.268  -1.587  1.00  3.950          N  
ATOM     82  H   ASN A   5      12.187   6.083  -1.430  1.00  3.490          H  
ATOM     83  HA  ASN A   5      11.696   6.932  -4.167  1.00  3.350          H  
ATOM     84 1HB  ASN A   5      14.181   7.050  -2.442  1.00  4.740          H  
ATOM     85 2HB  ASN A   5      14.060   7.751  -4.052  1.00  4.740          H  
ATOM     86 1HD2 ASN A   5      13.120  10.091  -1.157  1.00  4.740          H  
ATOM     87 2HD2 ASN A   5      14.347   8.876  -1.256  1.00  4.740          H  
ATOM     88  N   GLY A   6      12.194   4.748  -5.229  1.00  2.360          N  
ATOM     89  CA  GLY A   6      12.527   3.591  -6.054  1.00  2.260          C  
ATOM     90  C   GLY A   6      12.325   2.275  -5.308  1.00  1.850          C  
ATOM     91  O   GLY A   6      12.933   1.260  -5.658  1.00  1.990          O  
ATOM     92  H   GLY A   6      11.241   5.115  -5.235  1.00  2.830          H  
ATOM     93 1HA  GLY A   6      11.905   3.600  -6.950  1.00  2.710          H  
ATOM     94 2HA  GLY A   6      13.561   3.668  -6.385  1.00  2.710          H  
ATOM     95  N   VAL A   7      11.507   2.307  -4.248  1.00  1.550          N  
ATOM     96  CA  VAL A   7      11.268   1.114  -3.425  1.00  1.310          C  
ATOM     97  C   VAL A   7       9.764   0.820  -3.214  1.00  1.100          C  
ATOM     98  O   VAL A   7       8.986   1.712  -2.875  1.00  1.220          O  
ATOM     99  CB  VAL A   7      11.964   1.278  -2.058  1.00  1.930          C  
ATOM    100  CG1 VAL A   7      11.756   0.039  -1.230  1.00  1.930          C  
ATOM    101  CG2 VAL A   7      13.448   1.566  -2.256  1.00  1.930          C  
ATOM    102  H   VAL A   7      11.019   3.184  -4.039  1.00  1.860          H  
ATOM    103  HA  VAL A   7      11.710   0.253  -3.931  1.00  1.570          H  
ATOM    104  HB  VAL A   7      11.502   2.102  -1.518  1.00  2.320          H  
ATOM    105 1HG1 VAL A   7      12.226   0.174  -0.261  1.00  2.320          H  
ATOM    106 2HG1 VAL A   7      10.730  -0.144  -1.096  1.00  2.320          H  
ATOM    107 3HG1 VAL A   7      12.189  -0.811  -1.734  1.00  2.320          H  
ATOM    108 1HG2 VAL A   7      13.928   1.682  -1.288  1.00  2.320          H  
ATOM    109 2HG2 VAL A   7      13.905   0.738  -2.794  1.00  2.320          H  
ATOM    110 3HG2 VAL A   7      13.581   2.483  -2.827  1.00  2.320          H  
ATOM    111  N   THR A   8       9.345  -0.438  -3.397  1.00  0.980          N  
ATOM    112  CA  THR A   8       7.920  -0.781  -3.171  1.00  0.910          C  
ATOM    113  C   THR A   8       7.775  -1.472  -1.823  1.00  0.790          C  
ATOM    114  O   THR A   8       8.477  -2.450  -1.553  1.00  0.930          O  
ATOM    115  CB  THR A   8       7.350  -1.666  -4.299  1.00  1.300          C  
ATOM    116  OG1 THR A   8       7.419  -0.953  -5.540  1.00  1.300          O  
ATOM    117  CG2 THR A   8       5.888  -2.028  -4.003  1.00  1.300          C  
ATOM    118  H   THR A   8      10.034  -1.164  -3.631  1.00  1.180          H  
ATOM    119  HA  THR A   8       7.332   0.138  -3.133  1.00  1.090          H  
ATOM    120  HB  THR A   8       7.938  -2.576  -4.383  1.00  1.560          H  
ATOM    121  HG1 THR A   8       8.343  -0.838  -5.780  1.00  1.560          H  
ATOM    122 1HG2 THR A   8       5.500  -2.642  -4.811  1.00  1.560          H  
ATOM    123 2HG2 THR A   8       5.820  -2.583  -3.070  1.00  1.560          H  
ATOM    124 3HG2 THR A   8       5.296  -1.123  -3.921  1.00  1.560          H  
ATOM    125  N   CYS A   9       6.874  -0.988  -0.964  1.00  0.840          N  
ATOM    126  CA  CYS A   9       6.806  -1.557   0.374  1.00  0.940          C  
ATOM    127  C   CYS A   9       5.400  -1.954   0.820  1.00  1.050          C  
ATOM    128  O   CYS A   9       4.390  -1.379   0.406  1.00  1.270          O  
ATOM    129  CB  CYS A   9       7.345  -0.530   1.353  1.00  1.280          C  
ATOM    130  SG  CYS A   9       8.875   0.159   0.817  1.00  1.280          S  
ATOM    131  H   CYS A   9       6.298  -0.184  -1.195  1.00  1.010          H  
ATOM    132  HA  CYS A   9       7.436  -2.444   0.405  1.00  1.130          H  
ATOM    133 1HB  CYS A   9       6.644   0.271   1.472  1.00  1.530          H  
ATOM    134 2HB  CYS A   9       7.499  -0.993   2.329  1.00  1.530          H  
ATOM    135  N   GLY A  10       5.358  -2.872   1.771  1.00  1.150          N  
ATOM    136  CA  GLY A  10       4.106  -3.231   2.417  1.00  1.440          C  
ATOM    137  C   GLY A  10       4.310  -4.432   3.308  1.00  1.680          C  
ATOM    138  O   GLY A  10       5.340  -5.096   3.235  1.00  1.920          O  
ATOM    139  H   GLY A  10       6.233  -3.341   2.035  1.00  1.380          H  
ATOM    140 1HA  GLY A  10       3.750  -2.391   3.013  1.00  1.730          H  
ATOM    141 2HA  GLY A  10       3.349  -3.448   1.664  1.00  1.730          H  
ATOM    142  N   LYS A  11       3.350  -4.694   4.189  1.00  2.290          N  
ATOM    143  CA  LYS A  11       3.425  -5.825   5.116  1.00  2.730          C  
ATOM    144  C   LYS A  11       4.747  -5.836   5.893  1.00  2.730          C  
ATOM    145  O   LYS A  11       5.302  -6.903   6.164  1.00  3.410          O  
ATOM    146  CB  LYS A  11       3.265  -7.147   4.361  1.00  3.650          C  
ATOM    147  CG  LYS A  11       1.947  -7.293   3.618  1.00  3.650          C  
ATOM    148  CD  LYS A  11       1.841  -8.659   2.952  1.00  3.650          C  
ATOM    149  CE  LYS A  11       0.540  -8.803   2.171  1.00  3.650          C  
ATOM    150  NZ  LYS A  11       0.445 -10.125   1.484  1.00  3.650          N  
ATOM    151  H   LYS A  11       2.533  -4.097   4.204  1.00  2.750          H  
ATOM    152  HA  LYS A  11       2.617  -5.734   5.843  1.00  3.280          H  
ATOM    153 1HB  LYS A  11       4.076  -7.265   3.644  1.00  4.380          H  
ATOM    154 2HB  LYS A  11       3.337  -7.974   5.067  1.00  4.380          H  
ATOM    155 1HG  LYS A  11       1.121  -7.167   4.317  1.00  4.380          H  
ATOM    156 2HG  LYS A  11       1.877  -6.520   2.855  1.00  4.380          H  
ATOM    157 1HD  LYS A  11       2.683  -8.794   2.272  1.00  4.380          H  
ATOM    158 2HD  LYS A  11       1.885  -9.436   3.715  1.00  4.380          H  
ATOM    159 1HE  LYS A  11      -0.300  -8.699   2.855  1.00  4.380          H  
ATOM    160 2HE  LYS A  11       0.486  -8.013   1.422  1.00  4.380          H  
ATOM    161 1HZ  LYS A  11      -0.429 -10.180   0.978  1.00  4.380          H  
ATOM    162 2HZ  LYS A  11       1.214 -10.227   0.836  1.00  4.380          H  
ATOM    163 3HZ  LYS A  11       0.483 -10.867   2.169  1.00  4.380          H  
ATOM    164  N   HIS A  12       5.223  -4.645   6.262  1.00  2.320          N  
ATOM    165  CA  HIS A  12       6.448  -4.425   7.005  1.00  2.480          C  
ATOM    166  C   HIS A  12       7.719  -4.973   6.350  1.00  2.190          C  
ATOM    167  O   HIS A  12       8.604  -5.478   7.041  1.00  2.510          O  
ATOM    168  CB  HIS A  12       6.286  -4.951   8.424  1.00  3.410          C  
ATOM    169  CG  HIS A  12       5.153  -4.278   9.105  1.00  3.410          C  
ATOM    170  ND1 HIS A  12       5.211  -2.961   9.529  1.00  3.410          N  
ATOM    171  CD2 HIS A  12       3.915  -4.718   9.404  1.00  3.410          C  
ATOM    172  CE1 HIS A  12       4.055  -2.631  10.065  1.00  3.410          C  
ATOM    173  NE2 HIS A  12       3.249  -3.677  10.000  1.00  3.410          N  
ATOM    174  H   HIS A  12       4.712  -3.800   6.018  1.00  2.780          H  
ATOM    175  HA  HIS A  12       6.581  -3.349   7.088  1.00  2.980          H  
ATOM    176 1HB  HIS A  12       6.112  -6.025   8.414  1.00  4.090          H  
ATOM    177 2HB  HIS A  12       7.198  -4.766   8.995  1.00  4.090          H  
ATOM    178  HD1 HIS A  12       6.060  -2.442   9.713  1.00  4.090          H  
ATOM    179  HD2 HIS A  12       3.414  -5.673   9.248  1.00  4.090          H  
ATOM    180  HE1 HIS A  12       3.898  -1.627  10.461  1.00  4.090          H  
ATOM    181  N   SER A  13       7.831  -4.839   5.025  1.00  1.790          N  
ATOM    182  CA  SER A  13       9.026  -5.261   4.304  1.00  1.810          C  
ATOM    183  C   SER A  13       9.211  -4.490   2.987  1.00  1.490          C  
ATOM    184  O   SER A  13       8.244  -4.209   2.260  1.00  1.380          O  
ATOM    185  CB  SER A  13       8.950  -6.748   4.023  1.00  2.530          C  
ATOM    186  OG  SER A  13      10.078  -7.189   3.317  1.00  2.530          O  
ATOM    187  H   SER A  13       7.041  -4.497   4.482  1.00  2.150          H  
ATOM    188  HA  SER A  13       9.890  -5.069   4.938  1.00  2.170          H  
ATOM    189 1HB  SER A  13       8.870  -7.290   4.965  1.00  3.030          H  
ATOM    190 2HB  SER A  13       8.047  -6.958   3.449  1.00  3.030          H  
ATOM    191  HG  SER A  13       9.952  -8.128   3.173  1.00  3.030          H  
ATOM    192  N   CYS A  14      10.461  -4.105   2.694  1.00  1.620          N  
ATOM    193  CA  CYS A  14      10.760  -3.413   1.429  1.00  1.440          C  
ATOM    194  C   CYS A  14      11.219  -4.332   0.292  1.00  1.420          C  
ATOM    195  O   CYS A  14      12.131  -5.146   0.468  1.00  1.650          O  
ATOM    196  CB  CYS A  14      11.869  -2.382   1.607  1.00  2.090          C  
ATOM    197  SG  CYS A  14      11.493  -0.973   2.662  1.00  2.090          S  
ATOM    198  H   CYS A  14      11.197  -4.323   3.375  1.00  1.940          H  
ATOM    199  HA  CYS A  14       9.859  -2.895   1.101  1.00  1.730          H  
ATOM    200 1HB  CYS A  14      12.757  -2.875   1.986  1.00  2.510          H  
ATOM    201 2HB  CYS A  14      12.118  -1.998   0.642  1.00  2.510          H  
ATOM    202  HG  CYS A  14      11.361  -1.619   3.839  1.00  2.510          H  
ATOM    203  N   SER A  15      10.641  -4.139  -0.897  1.00  1.240          N  
ATOM    204  CA  SER A  15      11.052  -4.838  -2.104  1.00  1.340          C  
ATOM    205  C   SER A  15      12.075  -3.959  -2.807  1.00  1.190          C  
ATOM    206  O   SER A  15      11.775  -2.849  -3.286  1.00  1.260          O  
ATOM    207  CB  SER A  15       9.874  -5.133  -3.005  1.00  1.840          C  
ATOM    208  OG  SER A  15      10.299  -5.729  -4.201  1.00  1.840          O  
ATOM    209  H   SER A  15       9.864  -3.487  -0.983  1.00  1.490          H  
ATOM    210  HA  SER A  15      11.530  -5.779  -1.829  1.00  1.610          H  
ATOM    211 1HB  SER A  15       9.178  -5.792  -2.489  1.00  2.200          H  
ATOM    212 2HB  SER A  15       9.348  -4.211  -3.225  1.00  2.200          H  
ATOM    213  HG  SER A  15       9.501  -5.910  -4.701  1.00  2.200          H  
ATOM    214  N   VAL A  16      13.313  -4.440  -2.807  1.00  1.100          N  
ATOM    215  CA  VAL A  16      14.461  -3.689  -3.291  1.00  1.090          C  
ATOM    216  C   VAL A  16      15.350  -4.400  -4.311  1.00  1.110          C  
ATOM    217  O   VAL A  16      15.472  -5.625  -4.311  1.00  1.160          O  
ATOM    218  CB  VAL A  16      15.337  -3.317  -2.068  1.00  1.530          C  
ATOM    219  CG1 VAL A  16      14.610  -2.375  -1.146  1.00  1.530          C  
ATOM    220  CG2 VAL A  16      15.680  -4.564  -1.280  1.00  1.530          C  
ATOM    221  H   VAL A  16      13.449  -5.370  -2.436  1.00  1.320          H  
ATOM    222  HA  VAL A  16      14.087  -2.772  -3.750  1.00  1.310          H  
ATOM    223  HB  VAL A  16      16.228  -2.877  -2.402  1.00  1.840          H  
ATOM    224 1HG1 VAL A  16      15.243  -2.130  -0.298  1.00  1.840          H  
ATOM    225 2HG1 VAL A  16      14.370  -1.471  -1.688  1.00  1.840          H  
ATOM    226 3HG1 VAL A  16      13.708  -2.844  -0.794  1.00  1.840          H  
ATOM    227 1HG2 VAL A  16      16.303  -4.293  -0.436  1.00  1.840          H  
ATOM    228 2HG2 VAL A  16      14.773  -5.035  -0.909  1.00  1.840          H  
ATOM    229 3HG2 VAL A  16      16.212  -5.264  -1.913  1.00  1.840          H  
ATOM    230  N   ASP A  17      16.017  -3.589  -5.139  1.00  1.200          N  
ATOM    231  CA  ASP A  17      17.020  -4.035  -6.108  1.00  1.330          C  
ATOM    232  C   ASP A  17      18.366  -4.100  -5.389  1.00  1.130          C  
ATOM    233  O   ASP A  17      18.440  -3.757  -4.213  1.00  0.960          O  
ATOM    234  CB  ASP A  17      17.054  -3.072  -7.311  1.00  1.810          C  
ATOM    235  CG  ASP A  17      17.680  -3.655  -8.607  1.00  1.810          C  
ATOM    236  OD1 ASP A  17      18.488  -4.560  -8.512  1.00  1.810          O  
ATOM    237  OD2 ASP A  17      17.359  -3.172  -9.658  1.00  1.810          O  
ATOM    238  H   ASP A  17      15.816  -2.601  -5.087  1.00  1.440          H  
ATOM    239  HA  ASP A  17      16.761  -5.036  -6.461  1.00  1.600          H  
ATOM    240 1HB  ASP A  17      16.034  -2.759  -7.543  1.00  2.170          H  
ATOM    241 2HB  ASP A  17      17.608  -2.175  -7.038  1.00  2.170          H  
ATOM    242  N   TRP A  18      19.437  -4.482  -6.074  1.00  1.210          N  
ATOM    243  CA  TRP A  18      20.730  -4.634  -5.402  1.00  1.100          C  
ATOM    244  C   TRP A  18      21.240  -3.363  -4.727  1.00  0.940          C  
ATOM    245  O   TRP A  18      21.672  -3.412  -3.572  1.00  0.810          O  
ATOM    246  CB  TRP A  18      21.800  -5.132  -6.374  1.00  1.580          C  
ATOM    247  CG  TRP A  18      23.132  -5.308  -5.705  1.00  1.580          C  
ATOM    248  CD1 TRP A  18      23.543  -6.420  -5.044  1.00  1.580          C  
ATOM    249  CD2 TRP A  18      24.234  -4.360  -5.615  1.00  1.580          C  
ATOM    250  NE1 TRP A  18      24.800  -6.235  -4.543  1.00  1.580          N  
ATOM    251  CE2 TRP A  18      25.237  -4.980  -4.879  1.00  1.580          C  
ATOM    252  CE3 TRP A  18      24.439  -3.056  -6.087  1.00  1.580          C  
ATOM    253  CZ2 TRP A  18      26.433  -4.346  -4.592  1.00  1.580          C  
ATOM    254  CZ3 TRP A  18      25.632  -2.422  -5.797  1.00  1.580          C  
ATOM    255  CH2 TRP A  18      26.604  -3.049  -5.067  1.00  1.580          C  
ATOM    256  H   TRP A  18      19.316  -4.723  -7.059  1.00  1.450          H  
ATOM    257  HA  TRP A  18      20.609  -5.393  -4.631  1.00  1.320          H  
ATOM    258 1HB  TRP A  18      21.495  -6.090  -6.794  1.00  1.900          H  
ATOM    259 2HB  TRP A  18      21.910  -4.432  -7.198  1.00  1.900          H  
ATOM    260  HD1 TRP A  18      22.952  -7.325  -4.921  1.00  1.900          H  
ATOM    261  HE1 TRP A  18      25.323  -6.909  -4.005  1.00  1.900          H  
ATOM    262  HE3 TRP A  18      23.676  -2.550  -6.666  1.00  1.900          H  
ATOM    263  HZ2 TRP A  18      27.217  -4.830  -4.012  1.00  1.900          H  
ATOM    264  HZ3 TRP A  18      25.779  -1.408  -6.164  1.00  1.900          H  
ATOM    265  HH2 TRP A  18      27.533  -2.522  -4.854  1.00  1.900          H  
ATOM    266  N   GLY A  19      21.216  -2.223  -5.429  1.00  1.060          N  
ATOM    267  CA  GLY A  19      21.735  -0.983  -4.843  1.00  1.070          C  
ATOM    268  C   GLY A  19      20.972  -0.572  -3.587  1.00  0.920          C  
ATOM    269  O   GLY A  19      21.553  -0.035  -2.628  1.00  0.920          O  
ATOM    270  H   GLY A  19      20.854  -2.228  -6.373  1.00  1.270          H  
ATOM    271 1HA  GLY A  19      22.789  -1.115  -4.598  1.00  1.280          H  
ATOM    272 2HA  GLY A  19      21.679  -0.185  -5.583  1.00  1.280          H  
ATOM    273  N   LYS A  20      19.667  -0.826  -3.599  1.00  0.890          N  
ATOM    274  CA  LYS A  20      18.797  -0.480  -2.495  1.00  0.840          C  
ATOM    275  C   LYS A  20      18.981  -1.475  -1.355  1.00  0.710          C  
ATOM    276  O   LYS A  20      18.998  -1.076  -0.189  1.00  0.800          O  
ATOM    277  CB  LYS A  20      17.350  -0.435  -2.982  1.00  1.200          C  
ATOM    278  CG  LYS A  20      17.003   0.664  -3.993  1.00  1.200          C  
ATOM    279  CD  LYS A  20      17.089   2.063  -3.416  1.00  1.200          C  
ATOM    280  CE  LYS A  20      16.642   3.086  -4.445  1.00  1.200          C  
ATOM    281  NZ  LYS A  20      16.732   4.475  -3.925  1.00  1.200          N  
ATOM    282  H   LYS A  20      19.274  -1.254  -4.427  1.00  1.070          H  
ATOM    283  HA  LYS A  20      19.081   0.500  -2.119  1.00  1.010          H  
ATOM    284 1HB  LYS A  20      17.157  -1.347  -3.515  1.00  1.440          H  
ATOM    285 2HB  LYS A  20      16.667  -0.372  -2.136  1.00  1.440          H  
ATOM    286 1HG  LYS A  20      17.684   0.595  -4.840  1.00  1.440          H  
ATOM    287 2HG  LYS A  20      15.985   0.505  -4.360  1.00  1.440          H  
ATOM    288 1HD  LYS A  20      16.455   2.139  -2.533  1.00  1.440          H  
ATOM    289 2HD  LYS A  20      18.112   2.296  -3.135  1.00  1.440          H  
ATOM    290 1HE  LYS A  20      17.272   3.000  -5.327  1.00  1.440          H  
ATOM    291 2HE  LYS A  20      15.609   2.877  -4.729  1.00  1.440          H  
ATOM    292 1HZ  LYS A  20      16.425   5.127  -4.645  1.00  1.440          H  
ATOM    293 2HZ  LYS A  20      16.131   4.568  -3.109  1.00  1.440          H  
ATOM    294 3HZ  LYS A  20      17.682   4.686  -3.668  1.00  1.440          H  
ATOM    295  N   ALA A  21      19.138  -2.766  -1.682  1.00  0.640          N  
ATOM    296  CA  ALA A  21      19.374  -3.784  -0.671  1.00  0.660          C  
ATOM    297  C   ALA A  21      20.690  -3.515   0.036  1.00  0.710          C  
ATOM    298  O   ALA A  21      20.787  -3.646   1.255  1.00  0.840          O  
ATOM    299  CB  ALA A  21      19.414  -5.161  -1.299  1.00  0.920          C  
ATOM    300  H   ALA A  21      19.066  -3.058  -2.657  1.00  0.770          H  
ATOM    301  HA  ALA A  21      18.569  -3.736   0.060  1.00  0.790          H  
ATOM    302 1HB  ALA A  21      19.583  -5.908  -0.527  1.00  1.100          H  
ATOM    303 2HB  ALA A  21      18.482  -5.362  -1.804  1.00  1.100          H  
ATOM    304 3HB  ALA A  21      20.225  -5.197  -2.025  1.00  1.100          H  
ATOM    305  N   THR A  22      21.695  -3.111  -0.746  1.00  0.720          N  
ATOM    306  CA  THR A  22      23.032  -2.812  -0.260  1.00  0.870          C  
ATOM    307  C   THR A  22      22.958  -1.648   0.707  1.00  0.990          C  
ATOM    308  O   THR A  22      23.554  -1.688   1.792  1.00  1.170          O  
ATOM    309  CB  THR A  22      23.981  -2.519  -1.442  1.00  1.160          C  
ATOM    310  OG1 THR A  22      24.056  -3.681  -2.273  1.00  1.160          O  
ATOM    311  CG2 THR A  22      25.368  -2.184  -0.949  1.00  1.160          C  
ATOM    312  H   THR A  22      21.527  -3.057  -1.750  1.00  0.860          H  
ATOM    313  HA  THR A  22      23.411  -3.680   0.276  1.00  1.040          H  
ATOM    314  HB  THR A  22      23.591  -1.689  -2.027  1.00  1.390          H  
ATOM    315  HG1 THR A  22      23.209  -3.785  -2.762  1.00  1.390          H  
ATOM    316 1HG2 THR A  22      26.011  -1.998  -1.807  1.00  1.390          H  
ATOM    317 2HG2 THR A  22      25.334  -1.296  -0.325  1.00  1.390          H  
ATOM    318 3HG2 THR A  22      25.760  -3.020  -0.373  1.00  1.390          H  
ATOM    319  N   THR A  23      22.201  -0.618   0.321  1.00  0.980          N  
ATOM    320  CA  THR A  23      21.992   0.545   1.152  1.00  1.180          C  
ATOM    321  C   THR A  23      21.311   0.119   2.453  1.00  1.260          C  
ATOM    322  O   THR A  23      21.704   0.565   3.528  1.00  1.480          O  
ATOM    323  CB  THR A  23      21.141   1.608   0.425  1.00  1.570          C  
ATOM    324  OG1 THR A  23      21.819   2.033  -0.777  1.00  1.570          O  
ATOM    325  CG2 THR A  23      20.947   2.820   1.340  1.00  1.570          C  
ATOM    326  H   THR A  23      21.787  -0.620  -0.613  1.00  1.180          H  
ATOM    327  HA  THR A  23      22.960   0.981   1.395  1.00  1.420          H  
ATOM    328  HB  THR A  23      20.173   1.191   0.162  1.00  1.890          H  
ATOM    329  HG1 THR A  23      21.798   1.308  -1.448  1.00  1.890          H  
ATOM    330 1HG2 THR A  23      20.354   3.568   0.821  1.00  1.890          H  
ATOM    331 2HG2 THR A  23      20.438   2.525   2.240  1.00  1.890          H  
ATOM    332 3HG2 THR A  23      21.918   3.240   1.597  1.00  1.890          H  
ATOM    333  N   CYS A  24      20.294  -0.755   2.366  1.00  1.130          N  
ATOM    334  CA  CYS A  24      19.577  -1.222   3.555  1.00  1.270          C  
ATOM    335  C   CYS A  24      20.518  -1.953   4.511  1.00  1.330          C  
ATOM    336  O   CYS A  24      20.489  -1.723   5.715  1.00  1.440          O  
ATOM    337  CB  CYS A  24      18.432  -2.142   3.151  1.00  1.720          C  
ATOM    338  SG  CYS A  24      17.095  -1.283   2.263  1.00  1.720          S  
ATOM    339  H   CYS A  24      19.983  -1.053   1.439  1.00  1.360          H  
ATOM    340  HA  CYS A  24      19.164  -0.386   4.079  1.00  1.520          H  
ATOM    341 1HB  CYS A  24      18.800  -2.937   2.522  1.00  2.070          H  
ATOM    342 2HB  CYS A  24      18.016  -2.598   4.046  1.00  2.070          H  
ATOM    343  HG  CYS A  24      17.816  -1.056   1.137  1.00  2.070          H  
ATOM    344  N   ILE A  25      21.413  -2.772   3.972  1.00  1.330          N  
ATOM    345  CA  ILE A  25      22.376  -3.506   4.784  1.00  1.440          C  
ATOM    346  C   ILE A  25      23.329  -2.584   5.554  1.00  1.580          C  
ATOM    347  O   ILE A  25      23.599  -2.824   6.734  1.00  1.790          O  
ATOM    348  CB  ILE A  25      23.162  -4.507   3.910  1.00  1.970          C  
ATOM    349  CG1 ILE A  25      22.180  -5.629   3.440  1.00  1.970          C  
ATOM    350  CG2 ILE A  25      24.362  -5.089   4.698  1.00  1.970          C  
ATOM    351  CD1 ILE A  25      22.698  -6.511   2.311  1.00  1.970          C  
ATOM    352  H   ILE A  25      21.360  -2.946   2.964  1.00  1.600          H  
ATOM    353  HA  ILE A  25      21.830  -4.091   5.510  1.00  1.730          H  
ATOM    354  HB  ILE A  25      23.525  -3.997   3.017  1.00  2.370          H  
ATOM    355 1HG1 ILE A  25      21.956  -6.265   4.294  1.00  2.370          H  
ATOM    356 2HG1 ILE A  25      21.256  -5.168   3.114  1.00  2.370          H  
ATOM    357 1HG2 ILE A  25      24.908  -5.789   4.078  1.00  2.370          H  
ATOM    358 2HG2 ILE A  25      25.043  -4.296   5.000  1.00  2.370          H  
ATOM    359 3HG2 ILE A  25      23.995  -5.604   5.588  1.00  2.370          H  
ATOM    360 1HD1 ILE A  25      21.939  -7.252   2.062  1.00  2.370          H  
ATOM    361 2HD1 ILE A  25      22.898  -5.892   1.436  1.00  2.370          H  
ATOM    362 3HD1 ILE A  25      23.606  -7.020   2.612  1.00  2.370          H  
ATOM    363  N   ILE A  26      23.866  -1.566   4.880  1.00  1.560          N  
ATOM    364  CA  ILE A  26      24.832  -0.642   5.478  1.00  1.760          C  
ATOM    365  C   ILE A  26      24.234   0.523   6.308  1.00  1.750          C  
ATOM    366  O   ILE A  26      24.735   0.840   7.389  1.00  1.900          O  
ATOM    367  CB  ILE A  26      25.726  -0.075   4.357  1.00  2.380          C  
ATOM    368  CG1 ILE A  26      26.527  -1.252   3.734  1.00  2.380          C  
ATOM    369  CG2 ILE A  26      26.684   1.022   4.922  1.00  2.380          C  
ATOM    370  CD1 ILE A  26      27.214  -0.924   2.437  1.00  2.380          C  
ATOM    371  H   ILE A  26      23.622  -1.473   3.887  1.00  1.870          H  
ATOM    372  HA  ILE A  26      25.463  -1.224   6.146  1.00  2.110          H  
ATOM    373  HB  ILE A  26      25.095   0.349   3.572  1.00  2.860          H  
ATOM    374 1HG1 ILE A  26      27.273  -1.587   4.450  1.00  2.860          H  
ATOM    375 2HG1 ILE A  26      25.841  -2.076   3.539  1.00  2.860          H  
ATOM    376 1HG2 ILE A  26      27.313   1.414   4.133  1.00  2.860          H  
ATOM    377 2HG2 ILE A  26      26.116   1.846   5.346  1.00  2.860          H  
ATOM    378 3HG2 ILE A  26      27.312   0.586   5.701  1.00  2.860          H  
ATOM    379 1HD1 ILE A  26      27.733  -1.810   2.073  1.00  2.860          H  
ATOM    380 2HD1 ILE A  26      26.468  -0.616   1.706  1.00  2.860          H  
ATOM    381 3HD1 ILE A  26      27.932  -0.127   2.575  1.00  2.860          H  
ATOM    382  N   ASN A  27      23.249   1.227   5.757  1.00  1.610          N  
ATOM    383  CA  ASN A  27      22.626   2.401   6.366  1.00  1.680          C  
ATOM    384  C   ASN A  27      21.533   2.014   7.376  1.00  1.480          C  
ATOM    385  O   ASN A  27      20.492   1.473   7.008  1.00  1.520          O  
ATOM    386  CB  ASN A  27      22.131   3.321   5.249  1.00  2.320          C  
ATOM    387  CG  ASN A  27      21.531   4.622   5.688  1.00  2.320          C  
ATOM    388  OD1 ASN A  27      20.512   4.679   6.404  1.00  2.320          O  
ATOM    389  ND2 ASN A  27      22.149   5.706   5.257  1.00  2.320          N  
ATOM    390  H   ASN A  27      22.874   0.919   4.862  1.00  1.930          H  
ATOM    391  HA  ASN A  27      23.395   2.938   6.923  1.00  2.020          H  
ATOM    392 1HB  ASN A  27      22.970   3.542   4.590  1.00  2.790          H  
ATOM    393 2HB  ASN A  27      21.411   2.798   4.655  1.00  2.790          H  
ATOM    394 1HD2 ASN A  27      21.805   6.615   5.505  1.00  2.790          H  
ATOM    395 2HD2 ASN A  27      22.964   5.625   4.679  1.00  2.790          H  
ATOM    396  N   ASN A  28      21.735   2.338   8.658  1.00  1.550          N  
ATOM    397  CA  ASN A  28      20.764   1.937   9.682  1.00  1.570          C  
ATOM    398  C   ASN A  28      19.353   2.489   9.429  1.00  1.550          C  
ATOM    399  O   ASN A  28      18.360   1.833   9.766  1.00  1.480          O  
ATOM    400  CB  ASN A  28      21.244   2.356  11.055  1.00  2.190          C  
ATOM    401  CG  ASN A  28      22.390   1.518  11.548  1.00  2.190          C  
ATOM    402  OD1 ASN A  28      22.633   0.403  11.071  1.00  2.190          O  
ATOM    403  ND2 ASN A  28      23.109   2.040  12.503  1.00  2.190          N  
ATOM    404  H   ASN A  28      22.596   2.799   8.920  1.00  1.860          H  
ATOM    405  HA  ASN A  28      20.686   0.849   9.662  1.00  1.880          H  
ATOM    406 1HB  ASN A  28      21.556   3.400  11.027  1.00  2.630          H  
ATOM    407 2HB  ASN A  28      20.421   2.280  11.766  1.00  2.630          H  
ATOM    408 1HD2 ASN A  28      23.887   1.533  12.876  1.00  2.630          H  
ATOM    409 2HD2 ASN A  28      22.885   2.944  12.868  1.00  2.630          H  
ATOM    410  N   GLY A  29      19.260   3.696   8.857  1.00  1.760          N  
ATOM    411  CA  GLY A  29      17.971   4.297   8.529  1.00  1.870          C  
ATOM    412  C   GLY A  29      17.290   3.400   7.515  1.00  1.730          C  
ATOM    413  O   GLY A  29      16.144   2.971   7.692  1.00  1.670          O  
ATOM    414  H   GLY A  29      20.104   4.202   8.623  1.00  2.110          H  
ATOM    415 1HA  GLY A  29      17.359   4.391   9.426  1.00  2.240          H  
ATOM    416 2HA  GLY A  29      18.120   5.292   8.110  1.00  2.240          H  
ATOM    417  N   ALA A  30      18.030   3.096   6.455  1.00  1.820          N  
ATOM    418  CA  ALA A  30      17.532   2.248   5.390  1.00  1.870          C  
ATOM    419  C   ALA A  30      17.149   0.863   5.908  1.00  1.630          C  
ATOM    420  O   ALA A  30      16.169   0.292   5.424  1.00  1.720          O  
ATOM    421  CB  ALA A  30      18.543   2.175   4.283  1.00  2.600          C  
ATOM    422  H   ALA A  30      18.968   3.502   6.401  1.00  2.180          H  
ATOM    423  HA  ALA A  30      16.637   2.696   5.003  1.00  2.240          H  
ATOM    424 1HB  ALA A  30      18.152   1.578   3.463  1.00  3.120          H  
ATOM    425 2HB  ALA A  30      18.756   3.180   3.931  1.00  3.120          H  
ATOM    426 3HB  ALA A  30      19.447   1.727   4.671  1.00  3.120          H  
ATOM    427  N   MET A  31      17.878   0.317   6.892  1.00  1.480          N  
ATOM    428  CA  MET A  31      17.472  -0.979   7.426  1.00  1.520          C  
ATOM    429  C   MET A  31      16.157  -0.850   8.179  1.00  1.410          C  
ATOM    430  O   MET A  31      15.276  -1.701   8.047  1.00  1.620          O  
ATOM    431  CB  MET A  31      18.506  -1.612   8.346  1.00  2.110          C  
ATOM    432  CG  MET A  31      18.089  -3.040   8.832  1.00  2.110          C  
ATOM    433  SD  MET A  31      17.829  -4.241   7.474  1.00  2.110          S  
ATOM    434  CE  MET A  31      19.465  -4.718   7.033  1.00  2.110          C  
ATOM    435  H   MET A  31      18.733   0.791   7.199  1.00  1.780          H  
ATOM    436  HA  MET A  31      17.325  -1.652   6.587  1.00  1.820          H  
ATOM    437 1HB  MET A  31      19.467  -1.657   7.860  1.00  2.530          H  
ATOM    438 2HB  MET A  31      18.625  -0.978   9.229  1.00  2.530          H  
ATOM    439 1HG  MET A  31      18.866  -3.427   9.485  1.00  2.530          H  
ATOM    440 2HG  MET A  31      17.166  -2.979   9.410  1.00  2.530          H  
ATOM    441 1HE  MET A  31      19.436  -5.425   6.203  1.00  2.530          H  
ATOM    442 2HE  MET A  31      20.011  -3.846   6.748  1.00  2.530          H  
ATOM    443 3HE  MET A  31      19.955  -5.180   7.890  1.00  2.530          H  
ATOM    444  N   ALA A  32      15.978   0.232   8.943  1.00  1.280          N  
ATOM    445  CA  ALA A  32      14.711   0.399   9.637  1.00  1.430          C  
ATOM    446  C   ALA A  32      13.581   0.432   8.613  1.00  1.540          C  
ATOM    447  O   ALA A  32      12.488  -0.091   8.851  1.00  1.760          O  
ATOM    448  CB  ALA A  32      14.710   1.663  10.468  1.00  1.940          C  
ATOM    449  H   ALA A  32      16.747   0.900   9.087  1.00  1.540          H  
ATOM    450  HA  ALA A  32      14.561  -0.462  10.287  1.00  1.720          H  
ATOM    451 1HB  ALA A  32      13.759   1.756  10.985  1.00  2.330          H  
ATOM    452 2HB  ALA A  32      15.520   1.617  11.194  1.00  2.330          H  
ATOM    453 3HB  ALA A  32      14.861   2.524   9.820  1.00  2.330          H  
ATOM    454  N   TRP A  33      13.829   1.050   7.456  1.00  1.590          N  
ATOM    455  CA  TRP A  33      12.811   1.064   6.412  1.00  1.910          C  
ATOM    456  C   TRP A  33      12.619  -0.369   5.875  1.00  1.950          C  
ATOM    457  O   TRP A  33      11.497  -0.869   5.749  1.00  2.230          O  
ATOM    458  CB  TRP A  33      13.233   2.004   5.276  1.00  2.550          C  
ATOM    459  CG  TRP A  33      13.374   3.447   5.719  1.00  2.550          C  
ATOM    460  CD1 TRP A  33      12.756   4.036   6.780  1.00  2.550          C  
ATOM    461  CD2 TRP A  33      14.200   4.480   5.121  1.00  2.550          C  
ATOM    462  NE1 TRP A  33      13.136   5.342   6.885  1.00  2.550          N  
ATOM    463  CE2 TRP A  33      14.026   5.631   5.890  1.00  2.550          C  
ATOM    464  CE3 TRP A  33      15.062   4.518   4.019  1.00  2.550          C  
ATOM    465  CZ2 TRP A  33      14.683   6.809   5.599  1.00  2.550          C  
ATOM    466  CZ3 TRP A  33      15.725   5.695   3.732  1.00  2.550          C  
ATOM    467  CH2 TRP A  33      15.544   6.812   4.502  1.00  2.550          C  
ATOM    468  H   TRP A  33      14.725   1.542   7.341  1.00  1.910          H  
ATOM    469  HA  TRP A  33      11.864   1.402   6.826  1.00  2.290          H  
ATOM    470 1HB  TRP A  33      14.169   1.674   4.846  1.00  3.060          H  
ATOM    471 2HB  TRP A  33      12.476   1.972   4.489  1.00  3.060          H  
ATOM    472  HD1 TRP A  33      12.056   3.548   7.443  1.00  3.060          H  
ATOM    473  HE1 TRP A  33      12.782   5.995   7.608  1.00  3.060          H  
ATOM    474  HE3 TRP A  33      15.209   3.636   3.401  1.00  3.060          H  
ATOM    475  HZ2 TRP A  33      14.545   7.708   6.199  1.00  3.060          H  
ATOM    476  HZ3 TRP A  33      16.397   5.713   2.875  1.00  3.060          H  
ATOM    477  HH2 TRP A  33      16.080   7.725   4.247  1.00  3.060          H  
ATOM    478  N   ALA A  34      13.727  -1.092   5.670  1.00  1.860          N  
ATOM    479  CA  ALA A  34      13.719  -2.443   5.107  1.00  2.150          C  
ATOM    480  C   ALA A  34      12.868  -3.421   5.887  1.00  2.260          C  
ATOM    481  O   ALA A  34      12.172  -4.254   5.293  1.00  2.610          O  
ATOM    482  CB  ALA A  34      15.123  -2.992   5.051  1.00  2.890          C  
ATOM    483  H   ALA A  34      14.632  -0.640   5.806  1.00  2.230          H  
ATOM    484  HA  ALA A  34      13.352  -2.379   4.104  1.00  2.580          H  
ATOM    485 1HB  ALA A  34      15.117  -3.974   4.585  1.00  3.470          H  
ATOM    486 2HB  ALA A  34      15.724  -2.320   4.489  1.00  3.470          H  
ATOM    487 3HB  ALA A  34      15.509  -3.073   6.046  1.00  3.470          H  
ATOM    488  N   THR A  35      12.870  -3.276   7.210  1.00  2.080          N  
ATOM    489  CA  THR A  35      12.127  -4.157   8.102  1.00  2.370          C  
ATOM    490  C   THR A  35      10.767  -3.585   8.529  1.00  2.420          C  
ATOM    491  O   THR A  35      10.118  -4.130   9.429  1.00  2.740          O  
ATOM    492  CB  THR A  35      12.958  -4.493   9.358  1.00  3.200          C  
ATOM    493  OG1 THR A  35      13.219  -3.303  10.108  1.00  3.200          O  
ATOM    494  CG2 THR A  35      14.302  -5.082   8.916  1.00  3.200          C  
ATOM    495  H   THR A  35      13.498  -2.570   7.618  1.00  2.500          H  
ATOM    496  HA  THR A  35      11.931  -5.088   7.570  1.00  2.840          H  
ATOM    497  HB  THR A  35      12.417  -5.205   9.978  1.00  3.840          H  
ATOM    498  HG1 THR A  35      13.596  -3.539  10.959  1.00  3.840          H  
ATOM    499 1HG2 THR A  35      14.902  -5.320   9.792  1.00  3.840          H  
ATOM    500 2HG2 THR A  35      14.130  -5.986   8.336  1.00  3.840          H  
ATOM    501 3HG2 THR A  35      14.832  -4.358   8.305  1.00  3.840          H  
ATOM    502  N   GLY A  36      10.358  -2.454   7.936  1.00  2.330          N  
ATOM    503  CA  GLY A  36       9.070  -1.841   8.233  1.00  2.590          C  
ATOM    504  C   GLY A  36       8.990  -1.022   9.521  1.00  2.670          C  
ATOM    505  O   GLY A  36       7.886  -0.684   9.966  1.00  3.090          O  
ATOM    506  H   GLY A  36      10.938  -2.024   7.210  1.00  2.800          H  
ATOM    507 1HA  GLY A  36       8.788  -1.212   7.388  1.00  3.110          H  
ATOM    508 2HA  GLY A  36       8.336  -2.630   8.290  1.00  3.110          H  
ATOM    509  N   GLY A  37      10.130  -0.644  10.108  1.00  2.930          N  
ATOM    510  CA  GLY A  37      10.162   0.087  11.369  1.00  3.700          C  
ATOM    511  C   GLY A  37       9.396   1.398  11.326  1.00  3.910          C  
ATOM    512  O   GLY A  37       8.844   1.838  12.336  1.00  4.480          O  
ATOM    513  H   GLY A  37      11.034  -0.839   9.675  1.00  3.520          H  
ATOM    514 1HA  GLY A  37       9.760  -0.546  12.160  1.00  4.440          H  
ATOM    515 2HA  GLY A  37      11.202   0.288  11.627  1.00  4.440          H  
ATOM    516  N   HIS A  38       9.357   2.030  10.157  1.00  4.000          N  
ATOM    517  CA  HIS A  38       8.673   3.291  10.009  1.00  4.670          C  
ATOM    518  C   HIS A  38       7.614   3.203   8.909  1.00  4.970          C  
ATOM    519  O   HIS A  38       7.260   4.214   8.295  1.00  5.520          O  
ATOM    520  CB  HIS A  38       9.692   4.371   9.675  1.00  6.270          C  
ATOM    521  CG  HIS A  38      10.779   4.494  10.690  1.00  6.270          C  
ATOM    522  ND1 HIS A  38      10.569   4.969  11.963  1.00  6.270          N  
ATOM    523  CD2 HIS A  38      12.094   4.208  10.603  1.00  6.270          C  
ATOM    524  CE1 HIS A  38      11.716   4.966  12.617  1.00  6.270          C  
ATOM    525  NE2 HIS A  38      12.659   4.510  11.814  1.00  6.270          N  
ATOM    526  H   HIS A  38       9.835   1.639   9.353  1.00  4.800          H  
ATOM    527  HA  HIS A  38       8.174   3.558  10.938  1.00  5.600          H  
ATOM    528 1HB  HIS A  38      10.143   4.161   8.705  1.00  7.520          H  
ATOM    529 2HB  HIS A  38       9.187   5.328   9.606  1.00  7.520          H  
ATOM    530  HD1 HIS A  38       9.701   4.878  12.450  1.00  7.520          H  
ATOM    531  HD2 HIS A  38      12.707   3.818   9.794  1.00  7.520          H  
ATOM    532  HE1 HIS A  38      11.762   5.307  13.650  1.00  7.520          H  
ATOM    533  N   GLN A  39       7.047   2.013   8.672  1.00  5.040          N  
ATOM    534  CA  GLN A  39       6.077   1.885   7.575  1.00  5.700          C  
ATOM    535  C   GLN A  39       4.940   2.902   7.632  1.00  5.780          C  
ATOM    536  O   GLN A  39       4.503   3.404   6.601  1.00  5.970          O  
ATOM    537  CB  GLN A  39       5.474   0.475   7.529  1.00  7.720          C  
ATOM    538  CG  GLN A  39       4.442   0.265   6.399  1.00  7.720          C  
ATOM    539  CD  GLN A  39       3.962  -1.162   6.326  1.00  7.720          C  
ATOM    540  OE1 GLN A  39       4.650  -2.021   5.760  1.00  7.720          O  
ATOM    541  NE2 GLN A  39       2.798  -1.435   6.899  1.00  7.720          N  
ATOM    542  H   GLN A  39       7.329   1.188   9.216  1.00  6.050          H  
ATOM    543  HA  GLN A  39       6.616   2.048   6.639  1.00  6.840          H  
ATOM    544 1HB  GLN A  39       6.271  -0.256   7.406  1.00  9.260          H  
ATOM    545 2HB  GLN A  39       4.983   0.259   8.477  1.00  9.260          H  
ATOM    546 1HG  GLN A  39       3.576   0.895   6.589  1.00  9.260          H  
ATOM    547 2HG  GLN A  39       4.894   0.533   5.443  1.00  9.260          H  
ATOM    548 1HE2 GLN A  39       2.424  -2.362   6.899  1.00  9.260          H  
ATOM    549 2HE2 GLN A  39       2.279  -0.708   7.354  1.00  9.260          H  
ATOM    550  N   GLY A  40       4.437   3.204   8.824  1.00  5.980          N  
ATOM    551  CA  GLY A  40       3.330   4.146   8.938  1.00  6.400          C  
ATOM    552  C   GLY A  40       3.753   5.616   9.094  1.00  6.120          C  
ATOM    553  O   GLY A  40       2.895   6.478   9.285  1.00  6.520          O  
ATOM    554  H   GLY A  40       4.825   2.770   9.651  1.00  7.180          H  
ATOM    555 1HA  GLY A  40       2.693   4.050   8.059  1.00  7.680          H  
ATOM    556 2HA  GLY A  40       2.717   3.863   9.792  1.00  7.680          H  
ATOM    557  N   ASN A  41       5.062   5.899   9.079  1.00  5.780          N  
ATOM    558  CA  ASN A  41       5.545   7.270   9.283  1.00  5.920          C  
ATOM    559  C   ASN A  41       6.438   7.843   8.174  1.00  5.660          C  
ATOM    560  O   ASN A  41       6.448   9.056   7.946  1.00  6.070          O  
ATOM    561  CB  ASN A  41       6.277   7.349  10.606  1.00  8.230          C  
ATOM    562  CG  ASN A  41       5.363   7.112  11.774  1.00  8.230          C  
ATOM    563  OD1 ASN A  41       4.515   7.953  12.097  1.00  8.230          O  
ATOM    564  ND2 ASN A  41       5.512   5.986  12.422  1.00  8.230          N  
ATOM    565  H   ASN A  41       5.721   5.152   8.876  1.00  6.940          H  
ATOM    566  HA  ASN A  41       4.675   7.923   9.340  1.00  7.100          H  
ATOM    567 1HB  ASN A  41       7.076   6.603  10.619  1.00  9.880          H  
ATOM    568 2HB  ASN A  41       6.742   8.329  10.707  1.00  9.880          H  
ATOM    569 1HD2 ASN A  41       4.925   5.783  13.207  1.00  9.880          H  
ATOM    570 2HD2 ASN A  41       6.207   5.331  12.138  1.00  9.880          H  
ATOM    571  N   HIS A  42       7.214   6.993   7.513  1.00  5.380          N  
ATOM    572  CA  HIS A  42       8.192   7.409   6.510  1.00  5.540          C  
ATOM    573  C   HIS A  42       7.825   6.912   5.126  1.00  5.460          C  
ATOM    574  O   HIS A  42       6.865   6.159   4.942  1.00  5.990          O  
ATOM    575  CB  HIS A  42       9.600   6.896   6.857  1.00  7.690          C  
ATOM    576  CG  HIS A  42      10.249   7.515   8.094  1.00  7.690          C  
ATOM    577  ND1 HIS A  42      11.487   7.101   8.563  1.00  7.690          N  
ATOM    578  CD2 HIS A  42       9.846   8.503   8.935  1.00  7.690          C  
ATOM    579  CE1 HIS A  42      11.809   7.812   9.632  1.00  7.690          C  
ATOM    580  NE2 HIS A  42      10.832   8.663   9.877  1.00  7.690          N  
ATOM    581  H   HIS A  42       7.160   5.998   7.729  1.00  6.460          H  
ATOM    582  HA  HIS A  42       8.229   8.496   6.464  1.00  6.650          H  
ATOM    583 1HB  HIS A  42       9.547   5.814   7.005  1.00  9.230          H  
ATOM    584 2HB  HIS A  42      10.271   7.053   6.017  1.00  9.230          H  
ATOM    585  HD2 HIS A  42       8.923   9.073   8.883  1.00  9.230          H  
ATOM    586  HE1 HIS A  42      12.725   7.705  10.216  1.00  9.230          H  
ATOM    587  HE2 HIS A  42      10.804   9.332  10.634  1.00  9.230          H  
ATOM    588  N   LYS A  43       8.609   7.316   4.124  1.00  5.160          N  
ATOM    589  CA  LYS A  43       8.421   6.827   2.754  1.00  5.400          C  
ATOM    590  C   LYS A  43       9.050   5.430   2.679  1.00  5.530          C  
ATOM    591  O   LYS A  43      10.121   5.244   2.083  1.00  6.030          O  
ATOM    592  CB  LYS A  43       9.064   7.789   1.756  1.00  7.460          C  
ATOM    593  CG  LYS A  43       8.430   9.176   1.707  1.00  7.460          C  
ATOM    594  CD  LYS A  43       9.162  10.080   0.711  1.00  7.460          C  
ATOM    595  CE  LYS A  43       8.523  11.464   0.624  1.00  7.460          C  
ATOM    596  NZ  LYS A  43       9.270  12.363  -0.306  1.00  7.460          N  
ATOM    597  H   LYS A  43       9.371   7.947   4.323  1.00  6.190          H  
ATOM    598  HA  LYS A  43       7.357   6.733   2.536  1.00  6.480          H  
ATOM    599 1HB  LYS A  43      10.127   7.890   1.967  1.00  8.960          H  
ATOM    600 2HB  LYS A  43       8.961   7.383   0.764  1.00  8.960          H  
ATOM    601 1HG  LYS A  43       7.386   9.079   1.405  1.00  8.960          H  
ATOM    602 2HG  LYS A  43       8.462   9.628   2.696  1.00  8.960          H  
ATOM    603 1HD  LYS A  43      10.201  10.190   1.021  1.00  8.960          H  
ATOM    604 2HD  LYS A  43       9.144   9.618  -0.278  1.00  8.960          H  
ATOM    605 1HE  LYS A  43       7.499  11.360   0.266  1.00  8.960          H  
ATOM    606 2HE  LYS A  43       8.505  11.916   1.615  1.00  8.960          H  
ATOM    607 1HZ  LYS A  43       8.816  13.266  -0.339  1.00  8.960          H  
ATOM    608 2HZ  LYS A  43      10.218  12.476   0.024  1.00  8.960          H  
ATOM    609 3HZ  LYS A  43       9.287  11.960  -1.233  1.00  8.960          H  
ATOM    610  N   CYS A  44       8.352   4.509   3.356  1.00  5.420          N  
ATOM    611  CA  CYS A  44       8.661   3.113   3.655  1.00  5.920          C  
ATOM    612  C   CYS A  44       9.349   3.022   5.003  1.00  6.630          C  
ATOM    613  O   CYS A  44       9.209   2.020   5.703  1.00  7.300          O  
ATOM    614  OXT CYS A  44      10.247   3.819   5.252  1.00  8.880          O  
ATOM    615  CB  CYS A  44       9.509   2.419   2.603  1.00  7.690          C  
ATOM    616  SG  CYS A  44       8.667   2.159   1.046  1.00  7.690          S  
ATOM    617  H   CYS A  44       7.497   4.881   3.776  1.00  6.500          H  
ATOM    618  HA  CYS A  44       7.721   2.565   3.721  1.00  7.100          H  
ATOM    619 1HB  CYS A  44      10.434   2.950   2.422  1.00  9.230          H  
ATOM    620 2HB  CYS A  44       9.793   1.451   2.997  1.00  9.230          H  
TER                                                                             
# All scores below are weighted scores, not raw scores.
#BEGIN_POSE_ENERGIES_TABLE model01_0001.pdb
label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro cart_bonded total
weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 0.5 NA
pose -201.338 19.19 168.214 -10.8088 2.80022 7.2414 82.4998 -91.4687 -0.30597 -1.87945 -80.3286 -14.2202 -26.322 -7.15556 -5.61515 -1.62699 -0.85533 0.04036 1.86227 12.8293 29.5545 -9.11626 10.3541 20.7953 0.09768 18.6293 -76.9331
LYS:NtermProteinFull_1 -2.92917 0.17966 1.41161 -0.3043 0.027 0.14245 0.41754 -0.82641 -0.02502 -0.14028 -0.80206 0.92984 0 0 0 0 0 0.04129 0.03389 1.46417 0 0 0 -1.5107 0 0.03656 -1.85396
TYR_2 -6.56793 0.55543 3.84277 -0.59327 0.05792 0.30354 2.38987 -2.29213 -0.01489 -0.07453 -2.54 -0.15961 0 0 0 0 0 -0.00106 0.00306 0 1.97752 -0.30945 0.00151 1.2797 -0.11551 0.38663 -1.87044
TYR_3 -5.29998 0.34992 2.54718 -0.60142 0.05336 0.32618 1.19194 -1.73084 -0.02502 -0.14028 -1.02701 -0.19669 0 0 0 0 0 -0.00225 0.00087 0 1.85493 -0.19209 0.01943 1.2797 -0.2185 0.56421 -1.24638
GLY_4 -3.55393 0.38598 3.37772 -0.00065 0 0 1.91221 -1.7996 -0.00784 -0.03434 -2.827 -0.23235 0 0 0 0 0 -0.13564 0 0 0 -0.54854 0 0.83697 0.13942 0.51035 -1.97723
ASN_5 -1.84685 0.22067 2.77791 -0.19671 0.02586 0.30781 0.96464 -1.24336 -0.02985 -0.22495 -1.50121 -0.55784 0 0 0 0 0 -0.03754 0.01099 0 2.6887 -0.57607 0 -0.93687 0.33042 0.44649 0.62227
GLY_6 -1.60672 0.20082 1.86446 -5e-05 0 0 0.63706 -0.94341 -0.01177 -0.12767 -0.70593 -0.38227 0 0 0 0 0 -0.13441 0 0 0 -1.43941 0 0.83697 -0.20524 0.19609 -1.82147
VAL_7 -6.87053 0.83463 2.86184 -0.26494 0.20659 0.05357 2.01688 -2.29397 -0.00462 -0.01493 -1.64928 -0.27115 0 0 0 0 0 -0.06855 0.11469 0.34605 0 -0.74544 0 1.9342 -0.47219 0.25753 -4.02963
THR_8 -4.62842 0.36537 2.95858 -0.17284 0.09102 0.06221 2.0144 -1.75973 -0 -0 -2.63473 -0.28444 0 0 0 0 0 0.17859 0.0039 0.12104 0 -0.06003 2.31619 -1.0874 -0.13758 0.44511 -2.20876
CYS:disulfide_9 -6.59677 1.10614 3.93384 -0.0399 0 0.01781 2.25297 -2.16502 -0.00377 -0.01109 -3.02832 -0.18433 0 0 0 0 -0.42767 0.14609 0.58919 0.31686 0 0.09468 0 3.6196 0.17515 0.62697 0.42242
GLY_10 -2.77303 0.27493 3.04484 -0.00185 0 0 1.69126 -1.51088 -0 -0 -0.71653 -0.37606 0 0 0 0 0 -0.10935 0 0 0 -1.40851 0 0.83697 0.4793 0.29528 -0.27361
LYS_11 -1.94188 0.18228 1.93213 -0.33462 0.0597 0.21326 0.48824 -0.95881 -0 -0 0.29095 -0.37339 0 0 0 0 0 -0.07282 0.00604 1.50469 0 -0.11118 0 -1.5107 0.2144 0.13008 -0.28163
HIS_D_12 -4.75432 0.42388 4.24183 -0.46383 0.03873 0.61421 1.39567 -2.20949 -0.01521 -0.07706 -1.23428 -0.61214 0 0 -0.95178 0 0 -0.06374 0.00202 0 1.64324 -0.42634 0 -0.45461 -0.35424 0.47612 -2.78135
SER_13 -3.10982 0.1531 4.03247 -0.02685 0 0.04501 2.23215 -1.93102 -0.00677 -0.02061 -1.09832 -0.98799 0 0 0 0 0 -0.02873 0.00067 0.3828 0 -0.2967 0.60012 -0.77834 -0.14533 0.48857 -0.49556
CYS_14 -5.74869 0.99972 1.85351 -0.05111 0.00096 0.01786 0.83078 -1.31317 -0 -0 -1.47519 -0.34563 0 0 0 0 0 0.1796 0.02289 0.41466 0 0.15023 0 3.6196 0.08021 0.36785 -0.39592
SER_15 -2.78845 0.16856 2.9347 -0.03271 0.00125 0.05838 1.65432 -1.50654 -0.01854 -0.14828 -2.02754 -0.80117 0 0 0 0 0 0.03882 0.00042 0.38308 0 0.45961 0.60184 -0.77834 0.21394 0.4796 -1.10706
VAL_16 -4.74407 0.64018 0.61011 -0.31483 0.29735 0.06875 0.27703 -1.1158 -0 -0 0.2719 -0.48712 0 0 0 0 0 0.08034 0.10392 0.44874 0 -0.37216 0 1.9342 0.03192 0.53767 -1.73185
ASP_17 -3.01758 0.17109 4.15216 -0.10719 0.00573 0.31404 2.56386 -1.90972 -0.00448 -0.0304 -3.33988 -1.15424 0 0 -0.82992 0 0 0.04198 0.01363 0 2.34251 -0.3854 0 -2.3716 -0.31359 0.58165 -3.27736
TRP_18 -4.25388 0.39834 4.29855 -1.38134 0.12068 0.59719 2.73908 -2.21602 -0 -0 -3.5523 -0.28846 0 0 -0.82992 0 0 -0.01773 0.00341 0 1.70992 -0.30804 0 1.6906 -0.12086 0.41904 -0.99175
GLY_19 -3.20267 0.1787 3.64107 -4e-05 0 0 1.34375 -1.78345 -0 -0 -1.72471 -0.41434 0 0 0 0 0 -0.07805 0 0 0 0.4852 0 0.83697 0.17314 0.21618 -0.32824
LYS_20 -6.83648 0.78176 6.66535 -0.50038 0.14887 0.30748 2.98851 -3.10973 -0 -0 -3.41136 0.10293 0 0 0 0 0 0.18116 0.01238 2.04281 0 -0.12843 0 -1.5107 0.08863 0.23175 -1.94545
ALA_21 -5.4624 0.39026 4.69109 -0.02211 0 0 2.82723 -2.80668 -0 -0 -2.54245 -0.35954 0 0 0 0 0 -0.02701 0 0 0 -0.20258 0 1.8394 -0.26285 0.2904 -1.64723
THR_22 -6.02413 0.28437 5.96977 -0.19853 0.07887 0.07007 3.04021 -2.9629 -0.00448 -0.0304 -3.19042 -0.07373 0 0 0 0 0 0.1053 0.00021 0.08614 0 -0.01003 2.28308 -1.0874 -0.16063 0.26101 -1.56364
THR_23 -5.41362 0.32167 5.46985 -0.20364 0.12239 0.07396 2.90891 -2.79187 -0 -0 -3.16401 -0.09966 0 0 0 0 0 -0.01144 0.01207 0.10148 0 0.02093 2.27286 -1.0874 0.03707 0.32418 -1.10626
CYS_24 -7.62568 0.9922 4.7459 -0.04805 0 0.01556 2.29492 -2.84595 -0 -0 -1.66398 0.02565 0 0 0 0 0 0.02064 0.04638 0.28396 0 0.26041 0 3.6196 0.14879 0.32378 0.59413
ILE_25 -4.206 0.317 3.37846 -0.50194 0.3421 0.10387 1.37203 -1.81577 -0 -0 -0.84298 0.01773 0 0 0 0 0 -0.03606 0.05217 0.55561 0 -0.42004 0 0.73287 0.14288 0.37333 -0.43475
ILE_26 -3.19822 0.07409 2.7242 -0.51089 0.42505 0.10535 1.11668 -1.44026 -0 -0 -0.73615 -0.06476 0 0 0 0 0 0.00206 0.04747 0.66199 0 -0.48983 0 0.73287 0.0212 0.58991 0.06077
ASN_27 -5.19301 0.34436 5.40898 -0.31157 0.0316 0.51239 3.62852 -2.91952 -0 -0 -3.22292 -0.42016 0 0 -1.02587 0 0 -0.08644 0.00169 0 2.3233 -0.37455 0 -0.93687 -0.02743 0.64867 -1.61883
ASN_28 -2.64569 0.10157 3.19368 -0.18157 0.03434 0.27517 1.44434 -1.63533 -0 -0 -0.78039 -0.34411 0 0 0 0 0 0.06055 0.00177 0 1.45638 0.19801 0 -0.93687 -0.0613 0.33813 0.51869
GLY_29 -3.66866 0.28022 3.82416 -5e-05 0 0 2.13787 -2.14143 -0 -0 -1.06488 -0.42283 0 0 0 0 0 -0.0606 0 0 0 0.311 0 0.83697 0.51298 0.16917 0.71391
ALA_30 -6.7384 0.92731 3.67889 -0.02278 0 0 2.57533 -2.91157 -0 -0 -2.09501 -0.38522 0 0 -1.02587 0 0 0.11854 0 0 0 -0.36726 0 1.8394 0.19037 0.39539 -3.82089
MET_31 -7.29458 0.91531 5.99416 -0.72853 0.16261 0.41367 3.35743 -3.3415 -0 -0 -2.3038 -0.14758 0 0 0 0 0 0.11108 0.08018 1.80428 0 0.04636 0 0.60916 -0.33685 0.66831 0.00971
ALA_32 -4.90751 0.28993 4.87448 -0.02214 0 0 2.95251 -2.85865 -0.00292 -0.00917 -2.77144 -0.40355 0 0 0 0 0 0.12228 0 0 0 -0.36861 0 1.8394 -0.3034 0.52165 -1.04714
TRP_33 -8.65014 0.91527 7.26725 -0.71777 0.1622 0.43201 3.14434 -3.90376 -0 -0 -3.16853 -0.38866 0 0 0 -0.81349 0 -0.0356 0.221 0 2.89291 -0.05272 0 1.6906 -0.34454 0.49759 -0.85204
ALA_34 -5.38972 0.87011 3.51643 -0.02339 0 0 2.75471 -2.40111 -0.01521 -0.07706 -2.14267 -0.34752 0 0 0 0 0 -0.07622 0 0 0 -0.40714 0 1.8394 -0.32274 0.61161 -1.6105
THR_35 -3.81888 0.16757 3.91162 -0.12998 0.09984 0.08212 1.85003 -2.05737 -0 -0 -1.1412 -1.02721 0 0 0 0 0 -0.01338 0.06503 0.01243 0 -0.23344 2.25903 -1.0874 -0.48003 0.43219 -1.10904
GLY_36 -3.78506 0.30787 4.06135 -5e-05 0 0 2.04436 -2.12921 -0 -0 -2.16627 -0.38341 0 0 0 0 0 -0.12308 0 0 0 -1.36762 0 0.83697 -0.68448 0.4886 -2.90002
GLY_37 -2.09196 0.1197 2.61844 -4e-05 0 0 1.3109 -1.33461 -3e-05 -0.00064 -1.40952 -0.41178 0 0 0 0 0 -0.1499 0 0 0 0.41121 0 0.83697 -0.37844 0.38833 -0.0914
HIS_D_38 -6.66858 0.61172 6.11873 -0.4277 0.01723 0.57041 2.0201 -3.08609 -0.03611 -0.17458 -2.69833 -0.29251 0 0 0 0 0 0.0458 0.18968 0 1.6626 -0.51186 0 -0.45461 0.10999 0.26916 -2.73495
GLN_39 -6.60299 0.26464 5.69356 -0.41972 0.09357 0.25445 2.50684 -2.91622 -0.00621 -0.03635 -2.21686 -0.51705 0 0 -0.95178 0 0 -0.06491 0.05671 0 4.13607 -0.08118 0 -0.18838 -0.01036 0.34162 -0.66456
GLY_40 -1.59808 0.1717 1.70094 -6e-05 0 0 0.04565 -0.89334 -0 -0 0.26062 -0.3802 0 0 0 0 0 -0.12418 0 0 0 0.31956 0 0.83697 -0.04773 0.29149 0.58334
ASN_41 -2.72161 0.18455 2.67632 -0.19051 0.00689 0.29742 1.05641 -1.35279 -3e-05 -0.00064 -0.53215 -0.48653 0 0 0 0 0 -0.03515 0.0028 0 1.93375 0.10306 0 -0.93687 0.60916 0.33187 0.94595
HIS_42 -5.51839 0.58264 5.62998 -0.37304 0.0476 0.35145 2.33468 -2.56319 -0.00846 -0.07143 -2.74933 -0.12265 0 0 0 -0.81349 0 0.06556 0.06605 0 2.93267 -0.01433 0 -0.45461 0.94378 0.28926 0.55477
LYS_43 -2.31097 0.34462 2.10504 -0.32972 0.04071 0.19422 0.4467 -0.99801 -0.02985 -0.22495 -0.80124 -0.2131 0 0 0 0 0 0.09451 0.01604 1.53459 0 0.23245 0 -1.5107 0.62981 0.80758 0.02774
CYS:CtermProteinFull:disulfide_44 -6.73252 0.84015 5.97803 -0.05618 0.00021 0.0395 1.32691 -2.74251 -0.0349 -0.20983 -2.45195 0.10466 0 0 0 0 -0.42767 0 0.08106 0.36392 0 0 0 3.6196 0.32895 1.28232 1.30975
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 695943 DOMAINID 686676 MODEL 3 PA1-5
MODEL     3
REMARK    Rerank model03.pdb score: 19.127
REMARK    CLUSTER 0003 t000_.out.valid.rescored.best_scoring.binary cluster_size: 13 cluster_threshold: 2.804607
REMARK    SCORE          fa_sol:         143.341
REMARK    SCORE     hbond_bb_sc:          -4.511
REMARK    SCORE          fa_rep:          16.576
REMARK    SCORE       dslf_fa13:          -0.430
REMARK    SCORE fa_intra_sol_xover4:           6.373
REMARK    SCORE             ref:          33.249
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE     total_score:         -75.178
REMARK    SCORE          fa_dun:          30.081
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE     rama_prepro:           1.147
REMARK    SCORE     hbond_sr_bb:         -26.141
REMARK    SCORE           omega:          -0.770
REMARK    SCORE     hbond_lr_bb:          -5.431
REMARK    SCORE    fa_intra_rep:           0.320
REMARK    SCORE     cart_bonded:          14.242
REMARK    SCORE        hbond_sc:          -1.137
REMARK    SCORE            time:           0.000
REMARK    SCORE         fa_elec:         -69.694
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE         p_aa_pp:         -11.263
REMARK    SCORE           score:         -75.178
REMARK    SCORE          fa_atr:        -191.421
REMARK    SCORE     description: cluster0003_0001
REMARK    SCORE     lk_ball_wtd:          -9.710
SSBOND     CYS A    9    CYS A   14                                       2.13  
ATOM      1  N   LYS A   1       0.473  -0.347  -1.053  1.00  3.060          N  
ATOM      2  CA  LYS A   1       1.703  -0.098  -0.306  1.00  2.700          C  
ATOM      3  C   LYS A   1       2.083   1.386  -0.315  1.00  2.700          C  
ATOM      4  O   LYS A   1       1.416   2.205   0.329  1.00  3.310          O  
ATOM      5  CB  LYS A   1       2.843  -0.973  -0.848  1.00  3.920          C  
ATOM      6  CG  LYS A   1       2.685  -2.474  -0.572  1.00  3.920          C  
ATOM      7  CD  LYS A   1       3.850  -3.271  -1.152  1.00  3.920          C  
ATOM      8  CE  LYS A   1       3.697  -4.767  -0.881  1.00  3.920          C  
ATOM      9  NZ  LYS A   1       4.816  -5.556  -1.474  1.00  3.920          N  
ATOM     10 1H   LYS A   1       0.658  -0.980  -1.811  1.00  3.670          H  
ATOM     11 2H   LYS A   1      -0.218  -0.749  -0.443  1.00  3.670          H  
ATOM     12 3H   LYS A   1       0.121   0.524  -1.431  1.00  3.670          H  
ATOM     13  HA  LYS A   1       1.533  -0.379   0.733  1.00  3.240          H  
ATOM     14 1HB  LYS A   1       2.920  -0.842  -1.928  1.00  4.710          H  
ATOM     15 2HB  LYS A   1       3.786  -0.666  -0.403  1.00  4.710          H  
ATOM     16 1HG  LYS A   1       2.654  -2.636   0.508  1.00  4.710          H  
ATOM     17 2HG  LYS A   1       1.755  -2.841  -1.002  1.00  4.710          H  
ATOM     18 1HD  LYS A   1       3.900  -3.110  -2.230  1.00  4.710          H  
ATOM     19 2HD  LYS A   1       4.784  -2.925  -0.707  1.00  4.710          H  
ATOM     20 1HE  LYS A   1       3.678  -4.933   0.195  1.00  4.710          H  
ATOM     21 2HE  LYS A   1       2.756  -5.112  -1.309  1.00  4.710          H  
ATOM     22 1HZ  LYS A   1       4.679  -6.537  -1.274  1.00  4.710          H  
ATOM     23 2HZ  LYS A   1       4.835  -5.417  -2.475  1.00  4.710          H  
ATOM     24 3HZ  LYS A   1       5.693  -5.252  -1.076  1.00  4.710          H  
ATOM     25  N   TYR A   2       3.182   1.722  -0.997  1.00  2.480          N  
ATOM     26  CA  TYR A   2       3.698   3.087  -1.009  1.00  2.610          C  
ATOM     27  C   TYR A   2       4.018   3.597  -2.402  1.00  2.140          C  
ATOM     28  O   TYR A   2       4.285   2.825  -3.325  1.00  2.260          O  
ATOM     29  CB  TYR A   2       4.952   3.179  -0.140  1.00  3.600          C  
ATOM     30  CG  TYR A   2       4.706   2.809   1.299  1.00  3.600          C  
ATOM     31  CD1 TYR A   2       4.841   1.487   1.704  1.00  3.600          C  
ATOM     32  CD2 TYR A   2       4.339   3.776   2.210  1.00  3.600          C  
ATOM     33  CE1 TYR A   2       4.602   1.142   3.010  1.00  3.600          C  
ATOM     34  CE2 TYR A   2       4.103   3.427   3.520  1.00  3.600          C  
ATOM     35  CZ  TYR A   2       4.230   2.119   3.919  1.00  3.600          C  
ATOM     36  OH  TYR A   2       3.991   1.778   5.230  1.00  3.600          O  
ATOM     37  H   TYR A   2       3.683   1.026  -1.526  1.00  2.980          H  
ATOM     38  HA  TYR A   2       2.940   3.745  -0.598  1.00  3.130          H  
ATOM     39 1HB  TYR A   2       5.725   2.522  -0.539  1.00  4.320          H  
ATOM     40 2HB  TYR A   2       5.339   4.199  -0.170  1.00  4.320          H  
ATOM     41  HD1 TYR A   2       5.132   0.725   0.987  1.00  4.320          H  
ATOM     42  HD2 TYR A   2       4.237   4.814   1.892  1.00  4.320          H  
ATOM     43  HE1 TYR A   2       4.704   0.105   3.326  1.00  4.320          H  
ATOM     44  HE2 TYR A   2       3.814   4.185   4.245  1.00  4.320          H  
ATOM     45  HH  TYR A   2       4.124   0.835   5.345  1.00  4.320          H  
ATOM     46  N   TYR A   3       4.018   4.918  -2.527  1.00  2.330          N  
ATOM     47  CA  TYR A   3       4.375   5.621  -3.749  1.00  2.390          C  
ATOM     48  C   TYR A   3       5.802   6.141  -3.619  1.00  2.360          C  
ATOM     49  O   TYR A   3       6.623   5.991  -4.526  1.00  2.890          O  
ATOM     50  CB  TYR A   3       3.420   6.781  -3.956  1.00  3.320          C  
ATOM     51  CG  TYR A   3       3.611   7.592  -5.159  1.00  3.320          C  
ATOM     52  CD1 TYR A   3       3.094   7.149  -6.344  1.00  3.320          C  
ATOM     53  CD2 TYR A   3       4.309   8.791  -5.096  1.00  3.320          C  
ATOM     54  CE1 TYR A   3       3.259   7.891  -7.473  1.00  3.320          C  
ATOM     55  CE2 TYR A   3       4.480   9.535  -6.229  1.00  3.320          C  
ATOM     56  CZ  TYR A   3       3.958   9.089  -7.418  1.00  3.320          C  
ATOM     57  OH  TYR A   3       4.130   9.822  -8.558  1.00  3.320          O  
ATOM     58  H   TYR A   3       3.780   5.494  -1.717  1.00  2.800          H  
ATOM     59  HA  TYR A   3       4.327   4.932  -4.591  1.00  2.870          H  
ATOM     60 1HB  TYR A   3       2.432   6.410  -3.989  1.00  3.990          H  
ATOM     61 2HB  TYR A   3       3.498   7.411  -3.119  1.00  3.990          H  
ATOM     62  HD1 TYR A   3       2.545   6.207  -6.383  1.00  3.990          H  
ATOM     63  HD2 TYR A   3       4.724   9.140  -4.153  1.00  3.990          H  
ATOM     64  HE1 TYR A   3       2.846   7.536  -8.413  1.00  3.990          H  
ATOM     65  HE2 TYR A   3       5.028  10.474  -6.189  1.00  3.990          H  
ATOM     66  HH  TYR A   3       3.652   9.391  -9.290  1.00  3.990          H  
ATOM     67  N   GLY A   4       6.085   6.762  -2.471  1.00  2.130          N  
ATOM     68  CA  GLY A   4       7.393   7.355  -2.211  1.00  2.340          C  
ATOM     69  C   GLY A   4       7.292   8.833  -1.864  1.00  2.250          C  
ATOM     70  O   GLY A   4       6.234   9.438  -1.968  1.00  2.880          O  
ATOM     71  H   GLY A   4       5.351   6.829  -1.767  1.00  2.560          H  
ATOM     72 1HA  GLY A   4       7.871   6.819  -1.391  1.00  2.810          H  
ATOM     73 2HA  GLY A   4       8.029   7.229  -3.086  1.00  2.810          H  
ATOM     74  N   ASN A   5       8.386   9.412  -1.383  1.00  2.020          N  
ATOM     75  CA  ASN A   5       8.431  10.832  -1.022  1.00  2.080          C  
ATOM     76  C   ASN A   5       7.330  11.272  -0.050  1.00  1.830          C  
ATOM     77  O   ASN A   5       6.760  12.353  -0.191  1.00  1.950          O  
ATOM     78  CB  ASN A   5       8.384  11.680  -2.280  1.00  2.890          C  
ATOM     79  CG  ASN A   5       9.557  11.423  -3.176  1.00  2.890          C  
ATOM     80  OD1 ASN A   5      10.690  11.227  -2.712  1.00  2.890          O  
ATOM     81  ND2 ASN A   5       9.311  11.417  -4.461  1.00  2.890          N  
ATOM     82  H   ASN A   5       9.232   8.864  -1.300  1.00  2.420          H  
ATOM     83  HA  ASN A   5       9.384  11.021  -0.522  1.00  2.500          H  
ATOM     84 1HB  ASN A   5       7.465  11.484  -2.832  1.00  3.470          H  
ATOM     85 2HB  ASN A   5       8.379  12.735  -2.008  1.00  3.470          H  
ATOM     86 1HD2 ASN A   5      10.054  11.251  -5.113  1.00  3.470          H  
ATOM     87 2HD2 ASN A   5       8.382  11.580  -4.793  1.00  3.470          H  
ATOM     88  N   GLY A   6       7.044  10.444   0.953  1.00  1.760          N  
ATOM     89  CA  GLY A   6       6.032  10.770   1.958  1.00  1.780          C  
ATOM     90  C   GLY A   6       4.598  10.391   1.570  1.00  1.510          C  
ATOM     91  O   GLY A   6       3.649  10.682   2.313  1.00  1.740          O  
ATOM     92  H   GLY A   6       7.544   9.571   1.015  1.00  2.110          H  
ATOM     93 1HA  GLY A   6       6.294  10.268   2.890  1.00  2.140          H  
ATOM     94 2HA  GLY A   6       6.076  11.838   2.161  1.00  2.140          H  
ATOM     95  N   VAL A   7       4.434   9.750   0.417  1.00  1.250          N  
ATOM     96  CA  VAL A   7       3.130   9.344  -0.075  1.00  1.050          C  
ATOM     97  C   VAL A   7       2.860   7.839   0.023  1.00  1.040          C  
ATOM     98  O   VAL A   7       3.631   7.008  -0.497  1.00  1.240          O  
ATOM     99  CB  VAL A   7       3.019   9.782  -1.556  1.00  1.550          C  
ATOM    100  CG1 VAL A   7       1.684   9.328  -2.204  1.00  1.550          C  
ATOM    101  CG2 VAL A   7       3.167  11.281  -1.634  1.00  1.550          C  
ATOM    102  H   VAL A   7       5.244   9.591  -0.182  1.00  1.500          H  
ATOM    103  HA  VAL A   7       2.375   9.862   0.508  1.00  1.260          H  
ATOM    104  HB  VAL A   7       3.815   9.331  -2.100  1.00  1.860          H  
ATOM    105 1HG1 VAL A   7       1.665   9.628  -3.229  1.00  1.860          H  
ATOM    106 2HG1 VAL A   7       1.592   8.255  -2.165  1.00  1.860          H  
ATOM    107 3HG1 VAL A   7       0.853   9.754  -1.710  1.00  1.860          H  
ATOM    108 1HG2 VAL A   7       3.129  11.602  -2.659  1.00  1.860          H  
ATOM    109 2HG2 VAL A   7       2.372  11.729  -1.089  1.00  1.860          H  
ATOM    110 3HG2 VAL A   7       4.125  11.585  -1.207  1.00  1.860          H  
ATOM    111  N   THR A   8       1.767   7.495   0.718  1.00  1.200          N  
ATOM    112  CA  THR A   8       1.337   6.111   0.844  1.00  1.460          C  
ATOM    113  C   THR A   8       0.441   5.922  -0.364  1.00  1.300          C  
ATOM    114  O   THR A   8      -0.066   6.920  -0.881  1.00  1.160          O  
ATOM    115  CB  THR A   8       0.573   5.883   2.158  1.00  1.940          C  
ATOM    116  OG1 THR A   8      -0.625   6.673   2.151  1.00  1.940          O  
ATOM    117  CG2 THR A   8       1.442   6.326   3.329  1.00  1.940          C  
ATOM    118  H   THR A   8       1.197   8.216   1.143  1.00  1.440          H  
ATOM    119  HA  THR A   8       2.184   5.437   0.781  1.00  1.750          H  
ATOM    120  HB  THR A   8       0.318   4.826   2.258  1.00  2.330          H  
ATOM    121  HG1 THR A   8      -1.174   6.440   2.906  1.00  2.330          H  
ATOM    122 1HG2 THR A   8       0.903   6.169   4.263  1.00  2.330          H  
ATOM    123 2HG2 THR A   8       2.349   5.747   3.337  1.00  2.330          H  
ATOM    124 3HG2 THR A   8       1.692   7.380   3.231  1.00  2.330          H  
ATOM    125  N   CYS A   9       0.165   4.692  -0.802  1.00  1.490          N  
ATOM    126  CA  CYS A   9      -0.689   4.605  -1.989  1.00  1.560          C  
ATOM    127  C   CYS A   9      -1.175   3.186  -2.271  1.00  1.940          C  
ATOM    128  O   CYS A   9      -0.450   2.214  -2.048  1.00  2.200          O  
ATOM    129  CB  CYS A   9       0.077   5.129  -3.207  1.00  2.160          C  
ATOM    130  SG  CYS A   9      -0.928   5.475  -4.659  1.00  2.160          S  
ATOM    131  H   CYS A   9       0.553   3.857  -0.372  1.00  1.790          H  
ATOM    132  HA  CYS A   9      -1.559   5.234  -1.824  1.00  1.870          H  
ATOM    133 1HB  CYS A   9       0.590   6.039  -2.944  1.00  2.590          H  
ATOM    134 2HB  CYS A   9       0.838   4.403  -3.492  1.00  2.590          H  
ATOM    135  N   GLY A  10      -2.393   3.060  -2.811  1.00  2.060          N  
ATOM    136  CA  GLY A  10      -2.876   1.742  -3.228  1.00  2.500          C  
ATOM    137  C   GLY A  10      -4.284   1.783  -3.809  1.00  2.600          C  
ATOM    138  O   GLY A  10      -4.960   2.800  -3.762  1.00  2.860          O  
ATOM    139  H   GLY A  10      -2.976   3.895  -2.958  1.00  2.470          H  
ATOM    140 1HA  GLY A  10      -2.191   1.329  -3.967  1.00  3.000          H  
ATOM    141 2HA  GLY A  10      -2.861   1.070  -2.370  1.00  3.000          H  
ATOM    142  N   LYS A  11      -4.726   0.669  -4.399  1.00  2.920          N  
ATOM    143  CA  LYS A  11      -6.062   0.589  -5.011  1.00  3.300          C  
ATOM    144  C   LYS A  11      -6.279   1.720  -6.023  1.00  3.180          C  
ATOM    145  O   LYS A  11      -7.363   2.299  -6.107  1.00  3.860          O  
ATOM    146  CB  LYS A  11      -7.154   0.624  -3.942  1.00  4.470          C  
ATOM    147  CG  LYS A  11      -7.080  -0.514  -2.934  1.00  4.470          C  
ATOM    148  CD  LYS A  11      -8.242  -0.460  -1.950  1.00  4.470          C  
ATOM    149  CE  LYS A  11      -8.156  -1.581  -0.916  1.00  4.470          C  
ATOM    150  NZ  LYS A  11      -9.271  -1.513   0.076  1.00  4.470          N  
ATOM    151  H   LYS A  11      -4.129  -0.147  -4.410  1.00  3.500          H  
ATOM    152  HA  LYS A  11      -6.138  -0.354  -5.555  1.00  3.960          H  
ATOM    153 1HB  LYS A  11      -7.117   1.569  -3.398  1.00  5.360          H  
ATOM    154 2HB  LYS A  11      -8.130   0.571  -4.425  1.00  5.360          H  
ATOM    155 1HG  LYS A  11      -7.097  -1.467  -3.462  1.00  5.360          H  
ATOM    156 2HG  LYS A  11      -6.144  -0.439  -2.383  1.00  5.360          H  
ATOM    157 1HD  LYS A  11      -8.232   0.502  -1.435  1.00  5.360          H  
ATOM    158 2HD  LYS A  11      -9.181  -0.550  -2.494  1.00  5.360          H  
ATOM    159 1HE  LYS A  11      -8.197  -2.542  -1.427  1.00  5.360          H  
ATOM    160 2HE  LYS A  11      -7.207  -1.504  -0.385  1.00  5.360          H  
ATOM    161 1HZ  LYS A  11      -9.177  -2.269   0.740  1.00  5.360          H  
ATOM    162 2HZ  LYS A  11      -9.235  -0.630   0.565  1.00  5.360          H  
ATOM    163 3HZ  LYS A  11     -10.156  -1.595  -0.404  1.00  5.360          H  
ATOM    164  N   HIS A  12      -5.222   2.013  -6.781  1.00  2.620          N  
ATOM    165  CA  HIS A  12      -5.152   3.030  -7.824  1.00  2.580          C  
ATOM    166  C   HIS A  12      -5.410   4.477  -7.365  1.00  2.320          C  
ATOM    167  O   HIS A  12      -5.731   5.335  -8.192  1.00  2.460          O  
ATOM    168  CB  HIS A  12      -6.128   2.681  -8.948  1.00  3.630          C  
ATOM    169  CG  HIS A  12      -5.886   1.325  -9.518  1.00  3.630          C  
ATOM    170  ND1 HIS A  12      -4.784   1.023 -10.299  1.00  3.630          N  
ATOM    171  CD2 HIS A  12      -6.592   0.179  -9.401  1.00  3.630          C  
ATOM    172  CE1 HIS A  12      -4.834  -0.253 -10.640  1.00  3.630          C  
ATOM    173  NE2 HIS A  12      -5.919  -0.785 -10.107  1.00  3.630          N  
ATOM    174  H   HIS A  12      -4.391   1.459  -6.635  1.00  3.140          H  
ATOM    175  HA  HIS A  12      -4.153   2.997  -8.248  1.00  3.100          H  
ATOM    176 1HB  HIS A  12      -7.153   2.732  -8.586  1.00  4.350          H  
ATOM    177 2HB  HIS A  12      -6.030   3.409  -9.752  1.00  4.350          H  
ATOM    178  HD1 HIS A  12      -4.222   1.692 -10.793  1.00  4.350          H  
ATOM    179  HD2 HIS A  12      -7.518  -0.067  -8.879  1.00  4.350          H  
ATOM    180  HE1 HIS A  12      -4.054  -0.693 -11.262  1.00  4.350          H  
ATOM    181  N   SER A  13      -5.164   4.785  -6.092  1.00  2.080          N  
ATOM    182  CA  SER A  13      -5.329   6.149  -5.589  1.00  1.940          C  
ATOM    183  C   SER A  13      -4.416   6.441  -4.399  1.00  1.610          C  
ATOM    184  O   SER A  13      -4.347   5.663  -3.436  1.00  1.730          O  
ATOM    185  CB  SER A  13      -6.778   6.367  -5.203  1.00  2.770          C  
ATOM    186  OG  SER A  13      -6.978   7.648  -4.677  1.00  2.770          O  
ATOM    187  H   SER A  13      -4.938   4.044  -5.424  1.00  2.500          H  
ATOM    188  HA  SER A  13      -5.074   6.848  -6.377  1.00  2.330          H  
ATOM    189 1HB  SER A  13      -7.405   6.232  -6.083  1.00  3.330          H  
ATOM    190 2HB  SER A  13      -7.075   5.614  -4.472  1.00  3.330          H  
ATOM    191  HG  SER A  13      -7.920   7.723  -4.514  1.00  3.330          H  
ATOM    192  N   CYS A  14      -3.711   7.572  -4.444  1.00  1.440          N  
ATOM    193  CA  CYS A  14      -2.835   7.891  -3.327  1.00  1.190          C  
ATOM    194  C   CYS A  14      -3.569   8.735  -2.282  1.00  1.050          C  
ATOM    195  O   CYS A  14      -3.993   9.865  -2.544  1.00  1.130          O  
ATOM    196  CB  CYS A  14      -1.570   8.572  -3.830  1.00  1.770          C  
ATOM    197  SG  CYS A  14      -0.525   7.536  -5.022  1.00  1.770          S  
ATOM    198  H   CYS A  14      -3.779   8.205  -5.254  1.00  1.730          H  
ATOM    199  HA  CYS A  14      -2.545   6.973  -2.837  1.00  1.430          H  
ATOM    200 1HB  CYS A  14      -1.833   9.504  -4.336  1.00  2.120          H  
ATOM    201 2HB  CYS A  14      -0.956   8.824  -2.980  1.00  2.120          H  
ATOM    202  N   SER A  15      -3.686   8.189  -1.067  1.00  0.990          N  
ATOM    203  CA  SER A  15      -4.446   8.789   0.032  1.00  1.070          C  
ATOM    204  C   SER A  15      -3.703   9.902   0.752  1.00  0.990          C  
ATOM    205  O   SER A  15      -3.351   9.787   1.929  1.00  1.200          O  
ATOM    206  CB  SER A  15      -4.794   7.713   1.046  1.00  1.470          C  
ATOM    207  OG  SER A  15      -5.573   6.700   0.464  1.00  1.470          O  
ATOM    208  H   SER A  15      -3.301   7.268  -0.918  1.00  1.190          H  
ATOM    209  HA  SER A  15      -5.366   9.204  -0.380  1.00  1.280          H  
ATOM    210 1HB  SER A  15      -3.875   7.284   1.449  1.00  1.760          H  
ATOM    211 2HB  SER A  15      -5.338   8.162   1.875  1.00  1.760          H  
ATOM    212  HG  SER A  15      -5.824   6.113   1.182  1.00  1.760          H  
ATOM    213  N   VAL A  16      -3.469  10.979   0.026  1.00  1.090          N  
ATOM    214  CA  VAL A  16      -2.732  12.129   0.522  1.00  1.330          C  
ATOM    215  C   VAL A  16      -3.475  13.448   0.306  1.00  1.440          C  
ATOM    216  O   VAL A  16      -4.538  13.477  -0.314  1.00  1.700          O  
ATOM    217  CB  VAL A  16      -1.311  12.144  -0.052  1.00  1.770          C  
ATOM    218  CG1 VAL A  16      -0.564  10.909   0.392  1.00  1.770          C  
ATOM    219  CG2 VAL A  16      -1.360  12.194  -1.577  1.00  1.770          C  
ATOM    220  H   VAL A  16      -3.819  10.950  -0.938  1.00  1.310          H  
ATOM    221  HA  VAL A  16      -2.617  12.005   1.600  1.00  1.600          H  
ATOM    222  HB  VAL A  16      -0.794  12.990   0.343  1.00  2.120          H  
ATOM    223 1HG1 VAL A  16       0.428  10.968   0.022  1.00  2.120          H  
ATOM    224 2HG1 VAL A  16      -0.537  10.872   1.478  1.00  2.120          H  
ATOM    225 3HG1 VAL A  16      -1.046  10.008   0.015  1.00  2.120          H  
ATOM    226 1HG2 VAL A  16      -0.359  12.208  -1.988  1.00  2.120          H  
ATOM    227 2HG2 VAL A  16      -1.885  11.326  -1.961  1.00  2.120          H  
ATOM    228 3HG2 VAL A  16      -1.884  13.087  -1.867  1.00  2.120          H  
ATOM    229  N   ASP A  17      -2.935  14.531   0.869  1.00  1.430          N  
ATOM    230  CA  ASP A  17      -3.553  15.849   0.786  1.00  1.590          C  
ATOM    231  C   ASP A  17      -3.308  16.545  -0.550  1.00  1.400          C  
ATOM    232  O   ASP A  17      -2.751  15.961  -1.476  1.00  1.240          O  
ATOM    233  CB  ASP A  17      -3.045  16.718   1.952  1.00  2.160          C  
ATOM    234  CG  ASP A  17      -1.509  17.092   1.892  1.00  2.160          C  
ATOM    235  OD1 ASP A  17      -0.869  16.899   0.854  1.00  2.160          O  
ATOM    236  OD2 ASP A  17      -1.014  17.557   2.892  1.00  2.160          O  
ATOM    237  H   ASP A  17      -2.057  14.445   1.361  1.00  1.720          H  
ATOM    238  HA  ASP A  17      -4.631  15.722   0.905  1.00  1.910          H  
ATOM    239 1HB  ASP A  17      -3.623  17.636   2.006  1.00  2.590          H  
ATOM    240 2HB  ASP A  17      -3.222  16.184   2.888  1.00  2.590          H  
ATOM    241  N   TRP A  18      -3.758  17.802  -0.680  1.00  1.530          N  
ATOM    242  CA  TRP A  18      -3.667  18.486  -1.970  1.00  1.490          C  
ATOM    243  C   TRP A  18      -2.246  18.608  -2.487  1.00  1.240          C  
ATOM    244  O   TRP A  18      -1.980  18.351  -3.665  1.00  1.200          O  
ATOM    245  CB  TRP A  18      -4.285  19.883  -1.894  1.00  2.100          C  
ATOM    246  CG  TRP A  18      -4.229  20.605  -3.208  1.00  2.100          C  
ATOM    247  CD1 TRP A  18      -5.153  20.520  -4.199  1.00  2.100          C  
ATOM    248  CD2 TRP A  18      -3.204  21.517  -3.695  1.00  2.100          C  
ATOM    249  NE1 TRP A  18      -4.780  21.294  -5.259  1.00  2.100          N  
ATOM    250  CE2 TRP A  18      -3.590  21.908  -4.972  1.00  2.100          C  
ATOM    251  CE3 TRP A  18      -2.012  22.018  -3.158  1.00  2.100          C  
ATOM    252  CZ2 TRP A  18      -2.827  22.772  -5.734  1.00  2.100          C  
ATOM    253  CZ3 TRP A  18      -1.247  22.879  -3.920  1.00  2.100          C  
ATOM    254  CH2 TRP A  18      -1.643  23.246  -5.178  1.00  2.100          C  
ATOM    255  H   TRP A  18      -4.197  18.263   0.102  1.00  1.840          H  
ATOM    256  HA  TRP A  18      -4.237  17.904  -2.693  1.00  1.790          H  
ATOM    257 1HB  TRP A  18      -5.327  19.810  -1.588  1.00  2.520          H  
ATOM    258 2HB  TRP A  18      -3.763  20.480  -1.151  1.00  2.520          H  
ATOM    259  HD1 TRP A  18      -6.056  19.915  -4.158  1.00  2.520          H  
ATOM    260  HE1 TRP A  18      -5.293  21.393  -6.122  1.00  2.520          H  
ATOM    261  HE3 TRP A  18      -1.690  21.733  -2.164  1.00  2.520          H  
ATOM    262  HZ2 TRP A  18      -3.127  23.075  -6.736  1.00  2.520          H  
ATOM    263  HZ3 TRP A  18      -0.319  23.258  -3.495  1.00  2.520          H  
ATOM    264  HH2 TRP A  18      -1.017  23.925  -5.754  1.00  2.520          H  
ATOM    265  N   GLY A  19      -1.322  19.034  -1.630  1.00  1.220          N  
ATOM    266  CA  GLY A  19       0.055  19.241  -2.048  1.00  1.210          C  
ATOM    267  C   GLY A  19       0.652  17.965  -2.608  1.00  0.940          C  
ATOM    268  O   GLY A  19       1.196  17.948  -3.730  1.00  1.090          O  
ATOM    269  H   GLY A  19      -1.577  19.208  -0.667  1.00  1.460          H  
ATOM    270 1HA  GLY A  19       0.096  20.024  -2.803  1.00  1.450          H  
ATOM    271 2HA  GLY A  19       0.642  19.576  -1.194  1.00  1.450          H  
ATOM    272  N   LYS A  20       0.593  16.899  -1.805  1.00  0.720          N  
ATOM    273  CA  LYS A  20       1.155  15.632  -2.224  1.00  0.680          C  
ATOM    274  C   LYS A  20       0.420  15.024  -3.415  1.00  0.600          C  
ATOM    275  O   LYS A  20       1.062  14.490  -4.323  1.00  0.700          O  
ATOM    276  CB  LYS A  20       1.161  14.662  -1.055  1.00  0.970          C  
ATOM    277  CG  LYS A  20       2.179  14.967   0.049  1.00  0.970          C  
ATOM    278  CD  LYS A  20       2.104  13.933   1.202  1.00  0.970          C  
ATOM    279  CE  LYS A  20       3.115  14.239   2.309  1.00  0.970          C  
ATOM    280  NZ  LYS A  20       3.041  13.239   3.439  1.00  0.970          N  
ATOM    281  H   LYS A  20       0.133  16.978  -0.879  1.00  0.860          H  
ATOM    282  HA  LYS A  20       2.185  15.803  -2.528  1.00  0.820          H  
ATOM    283 1HB  LYS A  20       0.181  14.714  -0.595  1.00  1.160          H  
ATOM    284 2HB  LYS A  20       1.316  13.668  -1.415  1.00  1.160          H  
ATOM    285 1HG  LYS A  20       3.184  14.961  -0.375  1.00  1.160          H  
ATOM    286 2HG  LYS A  20       1.971  15.962   0.447  1.00  1.160          H  
ATOM    287 1HD  LYS A  20       1.102  13.950   1.630  1.00  1.160          H  
ATOM    288 2HD  LYS A  20       2.303  12.937   0.831  1.00  1.160          H  
ATOM    289 1HE  LYS A  20       4.121  14.222   1.889  1.00  1.160          H  
ATOM    290 2HE  LYS A  20       2.911  15.234   2.705  1.00  1.160          H  
ATOM    291 1HZ  LYS A  20       3.719  13.475   4.145  1.00  1.160          H  
ATOM    292 2HZ  LYS A  20       2.120  13.240   3.847  1.00  1.160          H  
ATOM    293 3HZ  LYS A  20       3.254  12.287   3.067  1.00  1.160          H  
ATOM    294  N   ALA A  21      -0.917  15.093  -3.429  1.00  0.530          N  
ATOM    295  CA  ALA A  21      -1.700  14.522  -4.511  1.00  0.590          C  
ATOM    296  C   ALA A  21      -1.428  15.220  -5.827  1.00  0.640          C  
ATOM    297  O   ALA A  21      -1.262  14.557  -6.852  1.00  0.700          O  
ATOM    298  CB  ALA A  21      -3.181  14.620  -4.194  1.00  0.800          C  
ATOM    299  H   ALA A  21      -1.426  15.536  -2.663  1.00  0.640          H  
ATOM    300  HA  ALA A  21      -1.425  13.474  -4.615  1.00  0.710          H  
ATOM    301 1HB  ALA A  21      -3.755  14.170  -5.000  1.00  0.960          H  
ATOM    302 2HB  ALA A  21      -3.402  14.101  -3.262  1.00  0.960          H  
ATOM    303 3HB  ALA A  21      -3.455  15.669  -4.091  1.00  0.960          H  
ATOM    304  N   THR A  22      -1.327  16.552  -5.794  1.00  0.700          N  
ATOM    305  CA  THR A  22      -1.080  17.346  -6.985  1.00  0.860          C  
ATOM    306  C   THR A  22       0.276  16.985  -7.541  1.00  0.850          C  
ATOM    307  O   THR A  22       0.419  16.764  -8.750  1.00  0.920          O  
ATOM    308  CB  THR A  22      -1.160  18.857  -6.670  1.00  1.140          C  
ATOM    309  OG1 THR A  22      -2.470  19.161  -6.201  1.00  1.140          O  
ATOM    310  CG2 THR A  22      -0.888  19.678  -7.919  1.00  1.140          C  
ATOM    311  H   THR A  22      -1.485  17.049  -4.919  1.00  0.840          H  
ATOM    312  HA  THR A  22      -1.834  17.107  -7.730  1.00  1.030          H  
ATOM    313  HB  THR A  22      -0.436  19.112  -5.894  1.00  1.370          H  
ATOM    314  HG1 THR A  22      -2.532  18.886  -5.259  1.00  1.370          H  
ATOM    315 1HG2 THR A  22      -0.967  20.734  -7.671  1.00  1.370          H  
ATOM    316 2HG2 THR A  22       0.111  19.468  -8.291  1.00  1.370          H  
ATOM    317 3HG2 THR A  22      -1.620  19.427  -8.684  1.00  1.370          H  
ATOM    318  N   THR A  23       1.266  16.893  -6.654  1.00  0.850          N  
ATOM    319  CA  THR A  23       2.617  16.549  -7.034  1.00  0.960          C  
ATOM    320  C   THR A  23       2.636  15.184  -7.704  1.00  0.820          C  
ATOM    321  O   THR A  23       3.269  15.010  -8.753  1.00  0.870          O  
ATOM    322  CB  THR A  23       3.547  16.531  -5.802  1.00  1.300          C  
ATOM    323  OG1 THR A  23       3.572  17.840  -5.196  1.00  1.300          O  
ATOM    324  CG2 THR A  23       4.965  16.139  -6.231  1.00  1.300          C  
ATOM    325  H   THR A  23       1.083  17.126  -5.675  1.00  1.020          H  
ATOM    326  HA  THR A  23       2.981  17.288  -7.746  1.00  1.150          H  
ATOM    327  HB  THR A  23       3.177  15.813  -5.073  1.00  1.560          H  
ATOM    328  HG1 THR A  23       2.720  18.002  -4.721  1.00  1.560          H  
ATOM    329 1HG2 THR A  23       5.612  16.135  -5.357  1.00  1.560          H  
ATOM    330 2HG2 THR A  23       4.963  15.146  -6.678  1.00  1.560          H  
ATOM    331 3HG2 THR A  23       5.337  16.860  -6.957  1.00  1.560          H  
ATOM    332  N   CYS A  24       1.923  14.214  -7.110  1.00  0.720          N  
ATOM    333  CA  CYS A  24       1.890  12.870  -7.656  1.00  0.760          C  
ATOM    334  C   CYS A  24       1.293  12.861  -9.051  1.00  0.710          C  
ATOM    335  O   CYS A  24       1.899  12.300  -9.957  1.00  0.780          O  
ATOM    336  CB  CYS A  24       1.038  11.955  -6.777  1.00  1.050          C  
ATOM    337  SG  CYS A  24       1.743  11.625  -5.187  1.00  1.050          S  
ATOM    338  H   CYS A  24       1.447  14.415  -6.227  1.00  0.860          H  
ATOM    339  HA  CYS A  24       2.906  12.482  -7.699  1.00  0.910          H  
ATOM    340 1HB  CYS A  24       0.057  12.398  -6.626  1.00  1.260          H  
ATOM    341 2HB  CYS A  24       0.884  11.001  -7.283  1.00  1.260          H  
ATOM    342  HG  CYS A  24       1.582  12.885  -4.714  1.00  1.260          H  
ATOM    343  N   ILE A  25       0.189  13.583  -9.273  1.00  0.720          N  
ATOM    344  CA  ILE A  25      -0.433  13.604 -10.595  1.00  0.880          C  
ATOM    345  C   ILE A  25       0.511  14.185 -11.637  1.00  0.870          C  
ATOM    346  O   ILE A  25       0.570  13.687 -12.767  1.00  0.950          O  
ATOM    347  CB  ILE A  25      -1.782  14.364 -10.606  1.00  1.170          C  
ATOM    348  CG1 ILE A  25      -2.857  13.625  -9.698  1.00  1.170          C  
ATOM    349  CG2 ILE A  25      -2.303  14.533 -12.064  1.00  1.170          C  
ATOM    350  CD1 ILE A  25      -3.238  12.192 -10.098  1.00  1.170          C  
ATOM    351  H   ILE A  25      -0.262  14.054  -8.480  1.00  0.860          H  
ATOM    352  HA  ILE A  25      -0.626  12.581 -10.891  1.00  1.060          H  
ATOM    353  HB  ILE A  25      -1.629  15.354 -10.164  1.00  1.400          H  
ATOM    354 1HG1 ILE A  25      -2.477  13.578  -8.690  1.00  1.400          H  
ATOM    355 2HG1 ILE A  25      -3.765  14.224  -9.697  1.00  1.400          H  
ATOM    356 1HG2 ILE A  25      -3.241  15.084 -12.047  1.00  1.400          H  
ATOM    357 2HG2 ILE A  25      -1.584  15.087 -12.664  1.00  1.400          H  
ATOM    358 3HG2 ILE A  25      -2.463  13.558 -12.520  1.00  1.400          H  
ATOM    359 1HD1 ILE A  25      -3.979  11.807  -9.391  1.00  1.400          H  
ATOM    360 2HD1 ILE A  25      -3.665  12.182 -11.093  1.00  1.400          H  
ATOM    361 3HD1 ILE A  25      -2.372  11.538 -10.067  1.00  1.400          H  
ATOM    362  N   ILE A  26       1.221  15.254 -11.294  1.00  0.860          N  
ATOM    363  CA  ILE A  26       2.149  15.845 -12.245  1.00  0.990          C  
ATOM    364  C   ILE A  26       3.238  14.844 -12.625  1.00  0.890          C  
ATOM    365  O   ILE A  26       3.538  14.663 -13.818  1.00  0.960          O  
ATOM    366  CB  ILE A  26       2.792  17.118 -11.652  1.00  1.330          C  
ATOM    367  CG1 ILE A  26       1.700  18.212 -11.515  1.00  1.330          C  
ATOM    368  CG2 ILE A  26       3.983  17.590 -12.536  1.00  1.330          C  
ATOM    369  CD1 ILE A  26       2.098  19.400 -10.660  1.00  1.330          C  
ATOM    370  H   ILE A  26       1.084  15.670 -10.364  1.00  1.030          H  
ATOM    371  HA  ILE A  26       1.599  16.114 -13.143  1.00  1.190          H  
ATOM    372  HB  ILE A  26       3.156  16.898 -10.646  1.00  1.600          H  
ATOM    373 1HG1 ILE A  26       1.442  18.574 -12.508  1.00  1.600          H  
ATOM    374 2HG1 ILE A  26       0.812  17.764 -11.073  1.00  1.600          H  
ATOM    375 1HG2 ILE A  26       4.434  18.476 -12.110  1.00  1.600          H  
ATOM    376 2HG2 ILE A  26       4.746  16.814 -12.596  1.00  1.600          H  
ATOM    377 3HG2 ILE A  26       3.622  17.814 -13.541  1.00  1.600          H  
ATOM    378 1HD1 ILE A  26       1.267  20.103 -10.618  1.00  1.600          H  
ATOM    379 2HD1 ILE A  26       2.330  19.052  -9.651  1.00  1.600          H  
ATOM    380 3HD1 ILE A  26       2.963  19.899 -11.078  1.00  1.600          H  
ATOM    381  N   ASN A  27       3.827  14.193 -11.622  1.00  0.810          N  
ATOM    382  CA  ASN A  27       4.875  13.226 -11.881  1.00  0.850          C  
ATOM    383  C   ASN A  27       4.358  11.978 -12.593  1.00  0.800          C  
ATOM    384  O   ASN A  27       5.044  11.438 -13.462  1.00  0.830          O  
ATOM    385  CB  ASN A  27       5.559  12.860 -10.585  1.00  1.170          C  
ATOM    386  CG  ASN A  27       6.431  13.979 -10.075  1.00  1.170          C  
ATOM    387  OD1 ASN A  27       6.854  14.862 -10.834  1.00  1.170          O  
ATOM    388  ND2 ASN A  27       6.715  13.963  -8.802  1.00  1.170          N  
ATOM    389  H   ASN A  27       3.550  14.400 -10.654  1.00  0.970          H  
ATOM    390  HA  ASN A  27       5.607  13.690 -12.541  1.00  1.020          H  
ATOM    391 1HB  ASN A  27       4.797  12.631  -9.830  1.00  1.410          H  
ATOM    392 2HB  ASN A  27       6.162  11.964 -10.725  1.00  1.410          H  
ATOM    393 1HD2 ASN A  27       7.291  14.681  -8.412  1.00  1.410          H  
ATOM    394 2HD2 ASN A  27       6.355  13.236  -8.218  1.00  1.410          H  
ATOM    395  N   ASN A  28       3.141  11.547 -12.262  1.00  0.830          N  
ATOM    396  CA  ASN A  28       2.548  10.363 -12.859  1.00  0.980          C  
ATOM    397  C   ASN A  28       2.247  10.620 -14.327  1.00  0.950          C  
ATOM    398  O   ASN A  28       2.423   9.731 -15.167  1.00  1.000          O  
ATOM    399  CB  ASN A  28       1.303   9.970 -12.101  1.00  1.310          C  
ATOM    400  CG  ASN A  28       1.567   9.386 -10.773  1.00  1.310          C  
ATOM    401  OD1 ASN A  28       2.644   8.828 -10.530  1.00  1.310          O  
ATOM    402  ND2 ASN A  28       0.607   9.501  -9.896  1.00  1.310          N  
ATOM    403  H   ASN A  28       2.634  12.030 -11.530  1.00  1.000          H  
ATOM    404  HA  ASN A  28       3.265   9.547 -12.806  1.00  1.180          H  
ATOM    405 1HB  ASN A  28       0.642  10.830 -11.998  1.00  1.570          H  
ATOM    406 2HB  ASN A  28       0.793   9.238 -12.652  1.00  1.570          H  
ATOM    407 1HD2 ASN A  28       0.706   9.129  -8.970  1.00  1.570          H  
ATOM    408 2HD2 ASN A  28      -0.239   9.978 -10.141  1.00  1.570          H  
ATOM    409  N   GLY A  29       1.827  11.850 -14.640  1.00  0.960          N  
ATOM    410  CA  GLY A  29       1.568  12.264 -16.002  1.00  1.080          C  
ATOM    411  C   GLY A  29       2.853  12.111 -16.794  1.00  0.980          C  
ATOM    412  O   GLY A  29       2.871  11.482 -17.856  1.00  1.030          O  
ATOM    413  H   GLY A  29       1.621  12.512 -13.887  1.00  1.150          H  
ATOM    414 1HA  GLY A  29       0.775  11.655 -16.436  1.00  1.300          H  
ATOM    415 2HA  GLY A  29       1.241  13.304 -16.010  1.00  1.300          H  
ATOM    416  N   ALA A  30       3.944  12.691 -16.270  1.00  0.890          N  
ATOM    417  CA  ALA A  30       5.234  12.621 -16.940  1.00  0.920          C  
ATOM    418  C   ALA A  30       5.684  11.178 -17.153  1.00  0.810          C  
ATOM    419  O   ALA A  30       6.202  10.846 -18.228  1.00  0.870          O  
ATOM    420  CB  ALA A  30       6.272  13.363 -16.124  1.00  1.280          C  
ATOM    421  H   ALA A  30       3.855  13.220 -15.393  1.00  1.070          H  
ATOM    422  HA  ALA A  30       5.136  13.095 -17.914  1.00  1.100          H  
ATOM    423 1HB  ALA A  30       7.231  13.336 -16.636  1.00  1.530          H  
ATOM    424 2HB  ALA A  30       5.956  14.398 -15.991  1.00  1.530          H  
ATOM    425 3HB  ALA A  30       6.368  12.889 -15.148  1.00  1.530          H  
ATOM    426  N   MET A  31       5.452  10.307 -16.158  1.00  0.760          N  
ATOM    427  CA  MET A  31       5.813   8.905 -16.296  1.00  0.850          C  
ATOM    428  C   MET A  31       5.059   8.272 -17.442  1.00  0.890          C  
ATOM    429  O   MET A  31       5.668   7.599 -18.282  1.00  0.960          O  
ATOM    430  CB  MET A  31       5.500   8.123 -15.026  1.00  1.150          C  
ATOM    431  CG  MET A  31       6.379   8.423 -13.836  1.00  1.150          C  
ATOM    432  SD  MET A  31       5.753   7.676 -12.303  1.00  1.150          S  
ATOM    433  CE  MET A  31       5.992   5.920 -12.591  1.00  1.150          C  
ATOM    434  H   MET A  31       5.065  10.651 -15.273  1.00  0.910          H  
ATOM    435  HA  MET A  31       6.878   8.839 -16.511  1.00  1.020          H  
ATOM    436 1HB  MET A  31       4.473   8.316 -14.731  1.00  1.380          H  
ATOM    437 2HB  MET A  31       5.573   7.065 -15.249  1.00  1.380          H  
ATOM    438 1HG  MET A  31       7.378   8.037 -14.024  1.00  1.380          H  
ATOM    439 2HG  MET A  31       6.460   9.492 -13.696  1.00  1.380          H  
ATOM    440 1HE  MET A  31       5.656   5.363 -11.716  1.00  1.380          H  
ATOM    441 2HE  MET A  31       5.418   5.601 -13.457  1.00  1.380          H  
ATOM    442 3HE  MET A  31       7.052   5.719 -12.760  1.00  1.380          H  
ATOM    443  N   ALA A  32       3.742   8.509 -17.500  1.00  0.940          N  
ATOM    444  CA  ALA A  32       2.909   7.941 -18.542  1.00  1.120          C  
ATOM    445  C   ALA A  32       3.362   8.377 -19.915  1.00  1.070          C  
ATOM    446  O   ALA A  32       3.391   7.568 -20.852  1.00  1.230          O  
ATOM    447  CB  ALA A  32       1.478   8.390 -18.362  1.00  1.500          C  
ATOM    448  H   ALA A  32       3.302   9.063 -16.755  1.00  1.130          H  
ATOM    449  HA  ALA A  32       2.968   6.856 -18.469  1.00  1.340          H  
ATOM    450 1HB  ALA A  32       0.843   7.949 -19.132  1.00  1.800          H  
ATOM    451 2HB  ALA A  32       1.130   8.117 -17.414  1.00  1.800          H  
ATOM    452 3HB  ALA A  32       1.455   9.458 -18.428  1.00  1.800          H  
ATOM    453  N   TRP A  33       3.727   9.661 -20.049  1.00  0.980          N  
ATOM    454  CA  TRP A  33       4.132  10.166 -21.350  1.00  1.070          C  
ATOM    455  C   TRP A  33       5.460   9.572 -21.784  1.00  0.980          C  
ATOM    456  O   TRP A  33       5.617   9.173 -22.941  1.00  1.070          O  
ATOM    457  CB  TRP A  33       4.260  11.697 -21.356  1.00  1.460          C  
ATOM    458  CG  TRP A  33       2.951  12.461 -21.234  1.00  1.460          C  
ATOM    459  CD1 TRP A  33       2.597  13.303 -20.221  1.00  1.460          C  
ATOM    460  CD2 TRP A  33       1.819  12.435 -22.136  1.00  1.460          C  
ATOM    461  NE1 TRP A  33       1.340  13.806 -20.436  1.00  1.460          N  
ATOM    462  CE2 TRP A  33       0.847  13.286 -21.595  1.00  1.460          C  
ATOM    463  CE3 TRP A  33       1.550  11.773 -23.337  1.00  1.460          C  
ATOM    464  CZ2 TRP A  33      -0.374  13.483 -22.207  1.00  1.460          C  
ATOM    465  CZ3 TRP A  33       0.324  11.974 -23.947  1.00  1.460          C  
ATOM    466  CH2 TRP A  33      -0.613  12.806 -23.396  1.00  1.460          C  
ATOM    467  H   TRP A  33       3.645  10.294 -19.243  1.00  1.180          H  
ATOM    468  HA  TRP A  33       3.376   9.874 -22.073  1.00  1.280          H  
ATOM    469 1HB  TRP A  33       4.895  11.997 -20.518  1.00  1.750          H  
ATOM    470 2HB  TRP A  33       4.756  12.015 -22.269  1.00  1.750          H  
ATOM    471  HD1 TRP A  33       3.222  13.545 -19.367  1.00  1.750          H  
ATOM    472  HE1 TRP A  33       0.852  14.453 -19.830  1.00  1.750          H  
ATOM    473  HE3 TRP A  33       2.286  11.109 -23.785  1.00  1.750          H  
ATOM    474  HZ2 TRP A  33      -1.132  14.142 -21.783  1.00  1.750          H  
ATOM    475  HZ3 TRP A  33       0.122  11.452 -24.881  1.00  1.750          H  
ATOM    476  HH2 TRP A  33      -1.567  12.940 -23.904  1.00  1.750          H  
ATOM    477  N   ALA A  34       6.418   9.500 -20.851  1.00  0.900          N  
ATOM    478  CA  ALA A  34       7.735   8.940 -21.126  1.00  0.980          C  
ATOM    479  C   ALA A  34       7.648   7.458 -21.470  1.00  1.060          C  
ATOM    480  O   ALA A  34       8.374   6.966 -22.339  1.00  1.210          O  
ATOM    481  CB  ALA A  34       8.637   9.135 -19.921  1.00  1.340          C  
ATOM    482  H   ALA A  34       6.234   9.871 -19.912  1.00  1.080          H  
ATOM    483  HA  ALA A  34       8.154   9.465 -21.982  1.00  1.180          H  
ATOM    484 1HB  ALA A  34       9.624   8.737 -20.139  1.00  1.610          H  
ATOM    485 2HB  ALA A  34       8.709  10.198 -19.693  1.00  1.610          H  
ATOM    486 3HB  ALA A  34       8.209   8.611 -19.065  1.00  1.610          H  
ATOM    487  N   THR A  35       6.760   6.761 -20.761  1.00  1.070          N  
ATOM    488  CA  THR A  35       6.501   5.341 -20.905  1.00  1.300          C  
ATOM    489  C   THR A  35       5.769   5.040 -22.202  1.00  1.540          C  
ATOM    490  O   THR A  35       6.054   4.049 -22.878  1.00  1.760          O  
ATOM    491  CB  THR A  35       5.668   4.807 -19.712  1.00  1.730          C  
ATOM    492  OG1 THR A  35       6.386   5.021 -18.488  1.00  1.730          O  
ATOM    493  CG2 THR A  35       5.386   3.314 -19.873  1.00  1.730          C  
ATOM    494  H   THR A  35       6.234   7.250 -20.037  1.00  1.280          H  
ATOM    495  HA  THR A  35       7.456   4.818 -20.923  1.00  1.560          H  
ATOM    496  HB  THR A  35       4.724   5.346 -19.663  1.00  2.070          H  
ATOM    497  HG1 THR A  35       6.373   5.981 -18.285  1.00  2.070          H  
ATOM    498 1HG2 THR A  35       4.803   2.971 -19.020  1.00  2.070          H  
ATOM    499 2HG2 THR A  35       4.822   3.131 -20.786  1.00  2.070          H  
ATOM    500 3HG2 THR A  35       6.327   2.771 -19.913  1.00  2.070          H  
ATOM    501  N   GLY A  36       4.784   5.882 -22.529  1.00  1.810          N  
ATOM    502  CA  GLY A  36       3.929   5.661 -23.676  1.00  2.470          C  
ATOM    503  C   GLY A  36       2.744   4.804 -23.250  1.00  2.690          C  
ATOM    504  O   GLY A  36       2.212   4.014 -24.034  1.00  3.260          O  
ATOM    505  H   GLY A  36       4.585   6.679 -21.929  1.00  2.170          H  
ATOM    506 1HA  GLY A  36       3.580   6.623 -24.055  1.00  2.960          H  
ATOM    507 2HA  GLY A  36       4.487   5.170 -24.471  1.00  2.960          H  
ATOM    508  N   GLY A  37       2.391   4.902 -21.964  1.00  2.520          N  
ATOM    509  CA  GLY A  37       1.293   4.129 -21.413  1.00  2.900          C  
ATOM    510  C   GLY A  37      -0.003   4.910 -21.506  1.00  2.900          C  
ATOM    511  O   GLY A  37      -0.034   6.030 -22.023  1.00  3.220          O  
ATOM    512  H   GLY A  37       2.847   5.616 -21.397  1.00  3.020          H  
ATOM    513 1HA  GLY A  37       1.199   3.186 -21.950  1.00  3.480          H  
ATOM    514 2HA  GLY A  37       1.506   3.889 -20.370  1.00  3.480          H  
ATOM    515  N   HIS A  38      -1.087   4.327 -21.012  1.00  3.210          N  
ATOM    516  CA  HIS A  38      -2.359   5.030 -21.039  1.00  3.710          C  
ATOM    517  C   HIS A  38      -2.382   6.014 -19.881  1.00  3.330          C  
ATOM    518  O   HIS A  38      -1.965   5.688 -18.770  1.00  3.480          O  
ATOM    519  CB  HIS A  38      -3.557   4.080 -20.969  1.00  4.990          C  
ATOM    520  CG  HIS A  38      -4.863   4.743 -21.379  1.00  4.990          C  
ATOM    521  ND1 HIS A  38      -5.584   5.601 -20.557  1.00  4.990          N  
ATOM    522  CD2 HIS A  38      -5.555   4.668 -22.541  1.00  4.990          C  
ATOM    523  CE1 HIS A  38      -6.661   6.022 -21.211  1.00  4.990          C  
ATOM    524  NE2 HIS A  38      -6.663   5.468 -22.409  1.00  4.990          N  
ATOM    525  H   HIS A  38      -1.019   3.407 -20.607  1.00  3.850          H  
ATOM    526  HA  HIS A  38      -2.447   5.604 -21.961  1.00  4.450          H  
ATOM    527 1HB  HIS A  38      -3.385   3.225 -21.623  1.00  5.990          H  
ATOM    528 2HB  HIS A  38      -3.667   3.705 -19.952  1.00  5.990          H  
ATOM    529  HD2 HIS A  38      -5.281   4.082 -23.421  1.00  5.990          H  
ATOM    530  HE1 HIS A  38      -7.419   6.706 -20.826  1.00  5.990          H  
ATOM    531  HE2 HIS A  38      -7.368   5.607 -23.125  1.00  5.990          H  
ATOM    532  N   GLN A  39      -2.910   7.204 -20.106  1.00  3.360          N  
ATOM    533  CA  GLN A  39      -2.996   8.195 -19.039  1.00  3.370          C  
ATOM    534  C   GLN A  39      -3.836   7.738 -17.854  1.00  3.310          C  
ATOM    535  O   GLN A  39      -3.543   8.093 -16.712  1.00  3.580          O  
ATOM    536  CB  GLN A  39      -3.556   9.512 -19.595  1.00  4.710          C  
ATOM    537  CG  GLN A  39      -2.584  10.314 -20.453  1.00  4.710          C  
ATOM    538  CD  GLN A  39      -1.476  10.932 -19.608  1.00  4.710          C  
ATOM    539  OE1 GLN A  39      -1.752  11.627 -18.616  1.00  4.710          O  
ATOM    540  NE2 GLN A  39      -0.249  10.679 -19.974  1.00  4.710          N  
ATOM    541  H   GLN A  39      -3.249   7.422 -21.032  1.00  4.030          H  
ATOM    542  HA  GLN A  39      -1.987   8.378 -18.671  1.00  4.040          H  
ATOM    543 1HB  GLN A  39      -4.434   9.295 -20.204  1.00  5.660          H  
ATOM    544 2HB  GLN A  39      -3.883  10.141 -18.781  1.00  5.660          H  
ATOM    545 1HG  GLN A  39      -2.118   9.649 -21.182  1.00  5.660          H  
ATOM    546 2HG  GLN A  39      -3.117  11.116 -20.962  1.00  5.660          H  
ATOM    547 1HE2 GLN A  39       0.526  11.061 -19.444  1.00  5.660          H  
ATOM    548 2HE2 GLN A  39      -0.071  10.098 -20.772  1.00  5.660          H  
ATOM    549  N   GLY A  40      -4.860   6.926 -18.099  1.00  3.580          N  
ATOM    550  CA  GLY A  40      -5.764   6.469 -17.058  1.00  4.040          C  
ATOM    551  C   GLY A  40      -5.120   5.554 -16.024  1.00  4.050          C  
ATOM    552  O   GLY A  40      -5.700   5.325 -14.964  1.00  4.300          O  
ATOM    553  H   GLY A  40      -5.067   6.615 -19.048  1.00  4.300          H  
ATOM    554 1HA  GLY A  40      -6.191   7.336 -16.555  1.00  4.850          H  
ATOM    555 2HA  GLY A  40      -6.594   5.943 -17.528  1.00  4.850          H  
ATOM    556  N   ASN A  41      -3.928   5.021 -16.308  1.00  4.300          N  
ATOM    557  CA  ASN A  41      -3.282   4.136 -15.350  1.00  4.870          C  
ATOM    558  C   ASN A  41      -2.273   4.889 -14.496  1.00  4.960          C  
ATOM    559  O   ASN A  41      -1.567   4.298 -13.676  1.00  5.380          O  
ATOM    560  CB  ASN A  41      -2.626   2.980 -16.067  1.00  6.590          C  
ATOM    561  CG  ASN A  41      -3.635   2.051 -16.684  1.00  6.590          C  
ATOM    562  OD1 ASN A  41      -4.725   1.819 -16.145  1.00  6.590          O  
ATOM    563  ND2 ASN A  41      -3.290   1.504 -17.817  1.00  6.590          N  
ATOM    564  H   ASN A  41      -3.449   5.250 -17.185  1.00  5.160          H  
ATOM    565  HA  ASN A  41      -4.039   3.738 -14.675  1.00  5.840          H  
ATOM    566 1HB  ASN A  41      -1.974   3.371 -16.853  1.00  7.910          H  
ATOM    567 2HB  ASN A  41      -2.003   2.421 -15.370  1.00  7.910          H  
ATOM    568 1HD2 ASN A  41      -3.913   0.875 -18.278  1.00  7.910          H  
ATOM    569 2HD2 ASN A  41      -2.399   1.703 -18.220  1.00  7.910          H  
ATOM    570  N   HIS A  42      -2.225   6.205 -14.668  1.00  4.940          N  
ATOM    571  CA  HIS A  42      -1.300   7.068 -13.963  1.00  5.350          C  
ATOM    572  C   HIS A  42      -1.991   8.266 -13.304  1.00  5.240          C  
ATOM    573  O   HIS A  42      -1.488   9.385 -13.354  1.00  5.660          O  
ATOM    574  CB  HIS A  42      -0.220   7.511 -14.946  1.00  7.330          C  
ATOM    575  CG  HIS A  42       0.683   6.388 -15.428  1.00  7.330          C  
ATOM    576  ND1 HIS A  42       1.787   5.967 -14.716  1.00  7.330          N  
ATOM    577  CD2 HIS A  42       0.630   5.605 -16.533  1.00  7.330          C  
ATOM    578  CE1 HIS A  42       2.387   4.995 -15.379  1.00  7.330          C  
ATOM    579  NE2 HIS A  42       1.704   4.756 -16.485  1.00  7.330          N  
ATOM    580  H   HIS A  42      -2.844   6.650 -15.354  1.00  5.930          H  
ATOM    581  HA  HIS A  42      -0.812   6.500 -13.172  1.00  6.420          H  
ATOM    582 1HB  HIS A  42      -0.707   7.951 -15.822  1.00  8.790          H  
ATOM    583 2HB  HIS A  42       0.395   8.265 -14.523  1.00  8.790          H  
ATOM    584  HD1 HIS A  42       1.932   6.119 -13.740  1.00  8.790          H  
ATOM    585  HD2 HIS A  42      -0.048   5.561 -17.367  1.00  8.790          H  
ATOM    586  HE1 HIS A  42       3.290   4.533 -14.984  1.00  8.790          H  
ATOM    587  N   LYS A  43      -3.148   8.040 -12.685  1.00  5.060          N  
ATOM    588  CA  LYS A  43      -3.895   9.120 -12.032  1.00  5.370          C  
ATOM    589  C   LYS A  43      -4.096   8.846 -10.548  1.00  5.060          C  
ATOM    590  O   LYS A  43      -5.117   9.228  -9.979  1.00  5.350          O  
ATOM    591  CB  LYS A  43      -5.260   9.338 -12.694  1.00  7.390          C  
ATOM    592  CG  LYS A  43      -5.222   9.698 -14.185  1.00  7.390          C  
ATOM    593  CD  LYS A  43      -4.550  11.057 -14.470  1.00  7.390          C  
ATOM    594  CE  LYS A  43      -4.618  11.400 -15.959  1.00  7.390          C  
ATOM    595  NZ  LYS A  43      -3.910  12.682 -16.291  1.00  7.390          N  
ATOM    596  H   LYS A  43      -3.516   7.095 -12.657  1.00  6.070          H  
ATOM    597  HA  LYS A  43      -3.317  10.035 -12.109  1.00  6.440          H  
ATOM    598 1HB  LYS A  43      -5.855   8.428 -12.593  1.00  8.870          H  
ATOM    599 2HB  LYS A  43      -5.792  10.135 -12.173  1.00  8.870          H  
ATOM    600 1HG  LYS A  43      -4.674   8.924 -14.705  1.00  8.870          H  
ATOM    601 2HG  LYS A  43      -6.235   9.715 -14.576  1.00  8.870          H  
ATOM    602 1HD  LYS A  43      -5.034  11.842 -13.890  1.00  8.870          H  
ATOM    603 2HD  LYS A  43      -3.496  11.017 -14.190  1.00  8.870          H  
ATOM    604 1HE  LYS A  43      -4.164  10.597 -16.521  1.00  8.870          H  
ATOM    605 2HE  LYS A  43      -5.663  11.490 -16.251  1.00  8.870          H  
ATOM    606 1HZ  LYS A  43      -3.989  12.863 -17.286  1.00  8.870          H  
ATOM    607 2HZ  LYS A  43      -4.326  13.446 -15.781  1.00  8.870          H  
ATOM    608 3HZ  LYS A  43      -2.929  12.599 -16.040  1.00  8.870          H  
ATOM    609  N   CYS A  44      -3.134   8.157  -9.953  1.00  4.830          N  
ATOM    610  CA  CYS A  44      -3.171   7.790  -8.554  1.00  4.780          C  
ATOM    611  C   CYS A  44      -2.755   8.939  -7.646  1.00  5.730          C  
ATOM    612  O   CYS A  44      -3.525   9.377  -6.788  1.00  6.340          O  
ATOM    613  OXT CYS A  44      -1.747   9.579  -7.927  1.00  7.170          O  
ATOM    614  CB  CYS A  44      -2.230   6.625  -8.338  1.00  6.480          C  
ATOM    615  SG  CYS A  44      -2.683   5.232  -9.320  1.00  6.480          S  
ATOM    616  H   CYS A  44      -2.347   7.865 -10.511  1.00  5.800          H  
ATOM    617  HA  CYS A  44      -4.187   7.489  -8.315  1.00  5.740          H  
ATOM    618 1HB  CYS A  44      -1.205   6.907  -8.564  1.00  7.780          H  
ATOM    619 2HB  CYS A  44      -2.273   6.324  -7.292  1.00  7.780          H  
ATOM    620  HG  CYS A  44      -4.018   5.359  -9.061  1.00  7.780          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 -191.322 16.5622 169.625 -11.2309 2.72881 7.2726 80.3957 -89.6967 -0.3436 -2.23139 -78.4527 -12.7401 -29.6225 -6.15341 -4.78249 -1.11841 -0.42952 -0.9197 1.4642 11.4198 24.6223 -11.4442 10.3667 20.7953 1.27785 14.0703 -79.8868
LYS:NtermProteinFull_1 -2.45699 0.18267 2.50186 -0.29787 0.02643 0.14271 1.81149 -1.29685 -0 -0 -2.79868 1.06418 0 0 0 0 0 0.11201 0.00468 0.97333 0 0 0 -1.5107 0 0.06784 -1.47386
TYR_2 -3.77892 0.3202 1.40879 -0.61702 0.0649 0.33939 0.58565 -1.07809 -0 -0 0.39388 -0.15429 0 0 0 0 0 0.00162 0.00893 0 1.90551 -0.3848 1e-05 1.2797 -0.15931 0.16158 0.29775
TYR_3 -6.6686 0.69133 2.79495 -0.8564 0.03909 0.29116 1.74708 -1.70922 -0 -0 -1.32184 -0.23259 0 0 0 -0.5592 0 -0.03566 0.00141 0 2.63081 -0.15354 0.00747 1.2797 0.14441 0.35795 -1.55169
GLY_4 -2.90659 0.28392 3.35171 -0.00067 0 0 1.72004 -1.68604 -0 -0 -0.84878 -0.22903 0 0 0 0 0 -0.08484 0 0 0 -1.53945 0 0.83697 0.6013 0.32422 -0.17722
ASN_5 -1.34528 0.14036 1.44435 -0.19789 0.04029 0.33695 0.50839 -0.73209 -0 -0 0.18644 -1.0152 0 0 0 0 0 -0.09437 0.03417 0 1.88195 -1.02793 0 -0.93687 -0.20986 0.13335 -0.85325
GLY_6 -1.81344 0.11722 2.21652 -5e-05 0 0 0.81579 -1.10802 -0.01182 -0.03813 -1.29977 -0.38223 0 0 -0.72138 0 0 -0.18157 0 0 0 -1.47005 0 0.83697 -1.04053 0.20909 -3.8714
VAL_7 -7.88818 1.32828 2.60996 -0.28266 0.20427 0.06044 2.93652 -2.36102 -0 -0 -3.64943 -0.17632 0 0 0 0 0 0.14901 0.01685 0.20252 0 -0.65347 0 1.9342 -0.73643 0.40884 -5.8966
THR_8 -3.85766 0.44863 2.26035 -0.12359 0.07741 0.0903 1.44431 -1.467 -0.03135 -0.19594 -1.05355 -0.56919 0 0 0 0 0 0.09418 0.00294 0.07553 0 -0.21978 2.28054 -1.0874 -0.34958 0.97252 -1.20834
CYS:disulfide_9 -5.41422 0.74891 3.93112 -0.046 5e-05 0.03109 2.02248 -2.08116 -0 -0 -1.96077 -0.47004 0 0 0 0 -0.21476 0.02749 0.26162 0.40221 0 -0.17141 0 3.6196 0.18991 0.84414 1.72026
GLY_10 -2.22711 0.26396 2.98339 -0.00147 0 0 1.56249 -1.42217 -0 -0 -0.37032 -0.35038 0 0 0 0 0 -0.11141 0 0 0 -1.23264 0 0.83697 0.59392 0.15866 0.68389
LYS_11 -1.55541 0.22736 1.59278 -0.32982 0.0538 0.20738 0.45792 -0.77543 -0 -0 0.21298 -0.36865 0 0 0 0 0 -0.09532 0.0063 1.53158 0 -0.12598 0 -1.5107 0.07911 0.21751 -0.17458
HIS_D_12 -2.6776 0.45436 1.89426 -0.43536 0.03055 0.59447 0.03499 -1.02921 -0.01531 -0.09065 -0.3737 -0.57474 0 0 0 0 0 -0.03034 0.02 0 1.55407 -0.30316 0 -0.45461 -0.29627 0.46926 -1.22899
SER_13 -3.74023 0.22139 3.97197 -0.02873 5e-05 0.05068 1.84295 -1.96399 -0.02295 -0.19391 -1.10979 -0.91779 0 0 0 0 0 -0.0438 0.00123 0.18999 0 -0.23023 0.60758 -0.77834 0.05047 0.41194 -1.68152
CYS:disulfide_14 -5.64517 0.50719 3.10412 -0.04167 0.00061 0.01564 1.55349 -1.74635 -0.03804 -0.22509 -1.94431 -0.31498 0 0 0 0 -0.21476 -0.00155 0.03723 0.78306 0 0.04073 0 3.6196 0.22361 0.4121 0.12547
SER_15 -1.49461 0.11909 1.77649 -0.03239 0.01987 0.03087 0.28785 -0.91848 -0.02825 -0.22212 -0.14332 -0.29782 0 0 0 0 0 -0.01068 0.04122 0.25504 0 0.32389 0.61898 -0.77834 0.58733 0.3894 0.52401
VAL_16 -5.62591 0.89522 1.00812 -0.28365 0.15153 0.04838 1.20688 -1.56044 -0.01889 -0.10704 -0.49842 -0.22536 0 0 0 0 0 0.09296 0.02913 0.03313 0 -0.4642 0 1.9342 0.49037 0.38206 -2.51192
ASP_17 -3.56908 0.18486 5.37453 -0.23564 0.05354 0.81627 2.47087 -2.39327 -0.03353 -0.19822 -3.721 -0.57523 0 0 -0.5564 0 0 0.05139 0.01294 0 1.62866 -0.54215 0 -2.3716 -0.11412 0.44228 -3.27491
TRP_18 -4.08589 0.26566 3.9974 -1.37926 0.12135 0.60034 1.86725 -2.06888 -0.00526 -0.02978 -1.57663 -0.26184 0 0 0 0 0 -0.01461 0.00555 0 1.69682 -0.2831 0 1.6906 -0.08316 0.27636 0.73294
GLY_19 -3.24036 0.2074 4.1352 -5e-05 0 0 1.56906 -1.97326 -0 -0 -2.22869 -0.40879 0 0 0 0 0 -0.09472 0 0 0 0.11496 0 0.83697 0.60167 0.13347 -0.34714
LYS_20 -6.87331 0.61111 6.61997 -0.29104 0.02231 0.12653 3.31436 -3.06573 -0 -0 -4.72562 -0.04363 0 0 -1.27778 0 0 -0.03265 0.01637 1.77229 0 -0.00621 0 -1.5107 0.42964 0.24922 -4.66486
ALA_21 -5.08155 0.47036 4.77018 -0.02194 0 0 2.58397 -2.77558 -0.02679 -0.19264 -2.80061 -0.33267 0 0 0 0 0 -0.02417 0 0 0 -0.13426 0 1.8394 -0.30938 0.30658 -1.72908
THR_22 -5.61869 0.2538 5.88252 -0.1992 0.0884 0.07153 2.93151 -2.83482 -0.00928 -0.04933 -3.47018 -0.07648 0 0 0 0 0 0.01052 0.00053 0.0872 0 -0.01692 2.29004 -1.0874 -0.08763 0.27462 -1.55927
THR_23 -4.98587 0.18832 5.72549 -0.20339 0.13151 0.0735 2.65255 -2.75084 -0.00526 -0.02978 -2.86658 -0.06153 0 0 0 0 0 -0.0251 0.00728 0.07741 0 0.01856 2.2718 -1.0874 0.0717 0.31489 -0.48275
CYS_24 -7.90783 0.69967 5.83457 -0.04925 0 0.01648 3.32596 -3.06703 -0 -0 -3.71389 0.06635 0 0 0 0 0 -0.01654 0.02385 0.33296 0 0.25956 0 3.6196 0.26073 0.38572 0.0709
ILE_25 -6.07102 0.34129 5.45185 -0.66934 0.53618 0.155 2.40674 -2.93517 -0 -0 -2.43167 0.18522 0 0 0 0 0 -0.0495 0.00069 0.5688 0 -0.31309 0 0.73287 0.17459 0.57287 -1.34369
ILE_26 -4.7427 0.20348 4.37147 -0.49646 0.34291 0.09851 2.2058 -2.37171 -0 -0 -1.78282 0.0836 0 0 0 0 0 -0.04865 0.02705 0.49568 0 -0.4305 0 0.73287 -0.00847 0.45874 -0.86119
ASN_27 -5.25147 0.26326 5.30606 -0.1825 0.04121 0.27395 2.61024 -2.77799 -0 -0 -2.3842 -0.27729 0 0 0 0 0 -0.0316 0.00186 0 1.43425 0.28808 0 -0.93687 0.07842 0.22428 -1.3203
ASN_28 -8.48029 0.69414 8.5205 -0.18001 0.02929 0.26375 4.06742 -4.18312 -0 -0 -3.99731 -0.31074 0 0 0 -0.5592 0 0.21623 0.00322 0 1.46447 0.31254 0 -0.93687 0.07726 0.26854 -2.73017
GLY_29 -4.15219 0.35116 4.976 -5e-05 0 0 2.73966 -2.62324 -0 -0 -2.45699 -0.43589 0 0 0 0 0 -0.07648 0 0 0 0.28621 0 0.83697 0.56137 0.26505 0.27158
ALA_30 -3.9582 0.17035 4.11095 -0.02183 0 0 2.35136 -2.35575 -0 -0 -2.21439 -0.3572 0 0 0 0 0 0.05759 0 0 0 -0.32183 0 1.8394 0.28076 0.20992 -0.20888
MET_31 -5.94429 0.38598 6.12537 -0.32656 0.10131 0.02 3.07796 -2.91059 -0 -0 -3.42144 0.03685 0 0 0 0 0 -0.01466 0.08634 1.05754 0 0.08395 0 0.60916 -0.10243 0.25133 -0.88418
ALA_32 -6.37064 0.68814 5.07634 -0.02288 0 0 3.00095 -3.25923 -0 -0 -3.42291 -0.35922 0 0 0 0 0 -0.04818 0 0 0 -0.25729 0 1.8394 -0.06576 0.35396 -2.84733
TRP_33 -5.2489 0.39017 4.78128 -0.89363 0.1027 0.32554 1.78784 -2.59607 -3e-05 -0.0001 -1.10514 -0.38961 0 0 0 0 0 0.03343 0.01739 0 2.0877 -0.05604 0 1.6906 -0.19881 0.33586 1.06417
ALA_34 -2.39954 0.06325 2.67931 -0.02252 0 0 1.34974 -1.51721 -0 -0 -0.90069 -0.35649 0 0 0 0 0 -0.02045 0 0 0 -0.20928 0 1.8394 -0.21835 0.22967 0.51684
THR_35 -3.33818 0.14805 3.76402 -0.20771 0.15204 0.07676 1.49804 -1.81074 -0 -0 -1.69108 -0.16044 0 0 0 0 0 0.01676 0.00174 0.23771 0 0.02472 2.2903 -1.0874 -0.15317 0.22853 -0.01006
GLY_36 -1.72973 0.06713 2.19821 -6e-05 0 0 1.12303 -1.13359 -0 -0 -0.70534 -0.39316 0 0 0 0 0 -0.14976 0 0 0 -1.47264 0 0.83697 0.09271 0.28142 -0.98481
GLY_37 -1.8512 0.05993 2.09658 -0.00043 0 0 0.79311 -1.10817 -0 -0 -0.5951 -0.19634 0 0 0 0 0 -0.10009 0 0 0 -0.52229 0 0.83697 0.07372 0.21075 -0.30256
HIS_38 -3.44355 0.27222 4.13245 -0.45989 0.0194 0.30901 1.98948 -1.98134 -0.02278 -0.13826 -1.83825 -0.97383 0 0 -1.11346 0 0 -0.01928 0.19558 0 1.75223 0.00167 0 -0.45461 -0.09159 0.1766 -1.68821
GLN_39 -5.80137 0.58292 5.29127 -0.62169 0.05204 0.61945 2.14059 -2.70258 -3e-05 -0.0001 -1.8256 -0.29843 0 0 0 0 0 -0.07783 0.33665 0 2.87719 -0.25218 0 -0.18838 -0.34714 0.25724 0.04202
GLY_40 -2.42144 0.21637 2.68148 -5e-05 0 0 1.21069 -1.3298 -0 -0 -0.85077 -0.41099 0 0 -1.11346 0 0 -0.12862 0 0 0 0.37797 0 0.83697 -0.1271 0.26859 -0.79017
ASN_41 -2.93145 0.23322 3.18808 -0.19 0.03237 0.30308 0.98115 -1.5517 -0.02278 -0.13826 -0.69719 -0.44514 0 0 0 0 0 -0.05897 0.00145 0 1.91584 -0.40409 0 -0.93687 -0.31379 0.19971 -0.83537
HIS_D_42 -6.85887 0.95455 5.19134 -0.39461 0.02977 0.50487 2.03999 -2.79595 -0 -0 -1.14358 -0.36048 0 0 0 0 0 -0.02769 0.11127 0 1.79278 -0.61025 0 -0.45461 -0.18513 0.22567 -1.98093
LYS_43 -3.99501 0.27903 3.58201 -0.51759 0.16326 0.34167 0.64014 -1.63959 -0.01531 -0.09065 -0.85848 -0.21124 0 0 0 0 0 -0.03381 0.01375 1.82121 0 0.23168 0 -1.5107 0.51137 0.28206 -1.00621
CYS:CtermProteinFull_44 -5.87319 0.36626 4.90965 -0.06808 0.00038 0.0369 1.12792 -2.24821 -0.03592 -0.2914 -2.4472 -0.20099 0 0 0 0 0 0 0.13499 0.52257 0 0 0 3.6196 0.30149 0.46595 0.32072
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 695943 DOMAINID 686676 MODEL 4 PA1-5
MODEL     4
REMARK    Rerank model04.pdb score: 17.067
REMARK    CLUSTER 0004 t000_.out.valid.rescored.best_scoring.binary cluster_size: 11 cluster_threshold: 2.804607
REMARK    SCORE           score:         -76.181
REMARK    SCORE     lk_ball_wtd:          -8.035
REMARK    SCORE          fa_atr:        -214.419
REMARK    SCORE     description: cluster0004_0001
REMARK    SCORE        hbond_sc:          -0.937
REMARK    SCORE    fa_intra_rep:           0.351
REMARK    SCORE     cart_bonded:          17.108
REMARK    SCORE            time:           0.000
REMARK    SCORE         fa_elec:         -68.827
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE         p_aa_pp:          -7.584
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE     total_score:         -76.181
REMARK    SCORE          fa_dun:          36.924
REMARK    SCORE           omega:           0.156
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE     hbond_sr_bb:         -24.640
REMARK    SCORE     rama_prepro:           8.175
REMARK    SCORE     hbond_lr_bb:          -6.735
REMARK    SCORE          fa_sol:         138.917
REMARK    SCORE          fa_rep:          20.319
REMARK    SCORE     hbond_bb_sc:          -7.816
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE fa_intra_sol_xover4:           7.611
REMARK    SCORE             ref:          33.249
ATOM      1  N   LYS A   1       1.357   0.605  -2.582  1.00  2.850          N  
ATOM      2  CA  LYS A   1       2.265   0.439  -1.451  1.00  2.820          C  
ATOM      3  C   LYS A   1       2.511   1.784  -0.791  1.00  2.780          C  
ATOM      4  O   LYS A   1       2.067   2.815  -1.294  1.00  3.170          O  
ATOM      5  CB  LYS A   1       3.595  -0.171  -1.912  1.00  3.960          C  
ATOM      6  CG  LYS A   1       3.488  -1.595  -2.463  1.00  3.960          C  
ATOM      7  CD  LYS A   1       4.854  -2.141  -2.865  1.00  3.960          C  
ATOM      8  CE  LYS A   1       4.748  -3.570  -3.405  1.00  3.960          C  
ATOM      9  NZ  LYS A   1       6.071  -4.107  -3.844  1.00  3.960          N  
ATOM     10 1H   LYS A   1       1.878   0.561  -3.447  1.00  3.420          H  
ATOM     11 2H   LYS A   1       0.658  -0.126  -2.567  1.00  3.420          H  
ATOM     12 3H   LYS A   1       0.906   1.507  -2.506  1.00  3.420          H  
ATOM     13  HA  LYS A   1       1.803  -0.217  -0.712  1.00  3.380          H  
ATOM     14 1HB  LYS A   1       4.024   0.448  -2.695  1.00  4.750          H  
ATOM     15 2HB  LYS A   1       4.306  -0.179  -1.080  1.00  4.750          H  
ATOM     16 1HG  LYS A   1       3.038  -2.248  -1.719  1.00  4.750          H  
ATOM     17 2HG  LYS A   1       2.849  -1.594  -3.345  1.00  4.750          H  
ATOM     18 1HD  LYS A   1       5.290  -1.499  -3.636  1.00  4.750          H  
ATOM     19 2HD  LYS A   1       5.515  -2.136  -2.000  1.00  4.750          H  
ATOM     20 1HE  LYS A   1       4.346  -4.215  -2.622  1.00  4.750          H  
ATOM     21 2HE  LYS A   1       4.065  -3.580  -4.255  1.00  4.750          H  
ATOM     22 1HZ  LYS A   1       5.953  -5.050  -4.193  1.00  4.750          H  
ATOM     23 2HZ  LYS A   1       6.447  -3.523  -4.579  1.00  4.750          H  
ATOM     24 3HZ  LYS A   1       6.711  -4.117  -3.062  1.00  4.750          H  
ATOM     25  N   TYR A   2       3.236   1.773   0.320  1.00  2.770          N  
ATOM     26  CA  TYR A   2       3.549   3.004   1.025  1.00  2.800          C  
ATOM     27  C   TYR A   2       5.039   3.275   0.894  1.00  2.320          C  
ATOM     28  O   TYR A   2       5.834   2.335   0.816  1.00  2.900          O  
ATOM     29  CB  TYR A   2       3.153   2.875   2.493  1.00  3.910          C  
ATOM     30  CG  TYR A   2       1.689   2.746   2.766  1.00  3.910          C  
ATOM     31  CD1 TYR A   2       1.072   1.507   2.674  1.00  3.910          C  
ATOM     32  CD2 TYR A   2       0.963   3.854   3.152  1.00  3.910          C  
ATOM     33  CE1 TYR A   2      -0.269   1.383   2.957  1.00  3.910          C  
ATOM     34  CE2 TYR A   2      -0.378   3.731   3.439  1.00  3.910          C  
ATOM     35  CZ  TYR A   2      -0.995   2.504   3.342  1.00  3.910          C  
ATOM     36  OH  TYR A   2      -2.335   2.386   3.633  1.00  3.910          O  
ATOM     37  H   TYR A   2       3.579   0.890   0.711  1.00  3.320          H  
ATOM     38  HA  TYR A   2       3.009   3.834   0.571  1.00  3.360          H  
ATOM     39 1HB  TYR A   2       3.646   2.023   2.932  1.00  4.690          H  
ATOM     40 2HB  TYR A   2       3.488   3.744   2.998  1.00  4.690          H  
ATOM     41  HD1 TYR A   2       1.648   0.628   2.382  1.00  4.690          H  
ATOM     42  HD2 TYR A   2       1.448   4.825   3.235  1.00  4.690          H  
ATOM     43  HE1 TYR A   2      -0.752   0.410   2.887  1.00  4.690          H  
ATOM     44  HE2 TYR A   2      -0.954   4.605   3.746  1.00  4.690          H  
ATOM     45  HH  TYR A   2      -2.605   1.471   3.532  1.00  4.690          H  
ATOM     46  N   TYR A   3       5.424   4.551   0.848  1.00  1.850          N  
ATOM     47  CA  TYR A   3       6.842   4.872   0.701  1.00  1.680          C  
ATOM     48  C   TYR A   3       7.364   5.904   1.698  1.00  1.630          C  
ATOM     49  O   TYR A   3       6.659   6.846   2.071  1.00  2.170          O  
ATOM     50  CB  TYR A   3       7.092   5.345  -0.732  1.00  2.420          C  
ATOM     51  CG  TYR A   3       6.794   4.271  -1.774  1.00  2.420          C  
ATOM     52  CD1 TYR A   3       5.502   4.104  -2.288  1.00  2.420          C  
ATOM     53  CD2 TYR A   3       7.809   3.457  -2.211  1.00  2.420          C  
ATOM     54  CE1 TYR A   3       5.254   3.118  -3.216  1.00  2.420          C  
ATOM     55  CE2 TYR A   3       7.557   2.484  -3.140  1.00  2.420          C  
ATOM     56  CZ  TYR A   3       6.294   2.307  -3.640  1.00  2.420          C  
ATOM     57  OH  TYR A   3       6.076   1.314  -4.565  1.00  2.420          O  
ATOM     58  H   TYR A   3       4.741   5.294   0.907  1.00  2.220          H  
ATOM     59  HA  TYR A   3       7.416   3.962   0.864  1.00  2.020          H  
ATOM     60 1HB  TYR A   3       6.472   6.215  -0.945  1.00  2.900          H  
ATOM     61 2HB  TYR A   3       8.133   5.646  -0.839  1.00  2.900          H  
ATOM     62  HD1 TYR A   3       4.688   4.743  -1.948  1.00  2.900          H  
ATOM     63  HD2 TYR A   3       8.819   3.580  -1.814  1.00  2.900          H  
ATOM     64  HE1 TYR A   3       4.248   2.980  -3.609  1.00  2.900          H  
ATOM     65  HE2 TYR A   3       8.366   1.841  -3.479  1.00  2.900          H  
ATOM     66  HH  TYR A   3       6.904   0.843  -4.713  1.00  2.900          H  
ATOM     67  N   GLY A   4       8.629   5.717   2.088  1.00  1.470          N  
ATOM     68  CA  GLY A   4       9.351   6.620   2.982  1.00  1.810          C  
ATOM     69  C   GLY A   4      10.793   6.868   2.526  1.00  1.450          C  
ATOM     70  O   GLY A   4      11.143   6.696   1.352  1.00  1.770          O  
ATOM     71  H   GLY A   4       9.102   4.883   1.739  1.00  1.760          H  
ATOM     72 1HA  GLY A   4       8.819   7.571   3.034  1.00  2.170          H  
ATOM     73 2HA  GLY A   4       9.356   6.219   3.988  1.00  2.170          H  
ATOM     74  N   ASN A   5      11.673   7.184   3.473  1.00  1.680          N  
ATOM     75  CA  ASN A   5      13.034   7.642   3.168  1.00  1.700          C  
ATOM     76  C   ASN A   5      13.966   6.544   2.660  1.00  1.510          C  
ATOM     77  O   ASN A   5      14.829   6.051   3.377  1.00  1.900          O  
ATOM     78  CB  ASN A   5      13.606   8.291   4.417  1.00  2.370          C  
ATOM     79  CG  ASN A   5      14.925   9.019   4.246  1.00  2.370          C  
ATOM     80  OD1 ASN A   5      15.573   9.025   3.190  1.00  2.370          O  
ATOM     81  ND2 ASN A   5      15.326   9.665   5.312  1.00  2.370          N  
ATOM     82  H   ASN A   5      11.357   7.209   4.432  1.00  2.020          H  
ATOM     83  HA  ASN A   5      12.971   8.397   2.381  1.00  2.040          H  
ATOM     84 1HB  ASN A   5      12.880   9.003   4.810  1.00  2.850          H  
ATOM     85 2HB  ASN A   5      13.731   7.529   5.163  1.00  2.850          H  
ATOM     86 1HD2 ASN A   5      16.181  10.183   5.292  1.00  2.850          H  
ATOM     87 2HD2 ASN A   5      14.771   9.649   6.143  1.00  2.850          H  
ATOM     88  N   GLY A   6      13.771   6.178   1.388  1.00  1.260          N  
ATOM     89  CA  GLY A   6      14.516   5.105   0.719  1.00  1.460          C  
ATOM     90  C   GLY A   6      13.920   3.763   1.106  1.00  1.280          C  
ATOM     91  O   GLY A   6      14.539   2.697   0.961  1.00  1.560          O  
ATOM     92  H   GLY A   6      13.002   6.643   0.905  1.00  1.510          H  
ATOM     93 1HA  GLY A   6      14.460   5.240  -0.360  1.00  1.750          H  
ATOM     94 2HA  GLY A   6      15.565   5.151   0.998  1.00  1.750          H  
ATOM     95  N   VAL A   7      12.696   3.826   1.609  1.00  0.930          N  
ATOM     96  CA  VAL A   7      12.006   2.648   2.104  1.00  0.840          C  
ATOM     97  C   VAL A   7      10.687   2.329   1.418  1.00  0.770          C  
ATOM     98  O   VAL A   7       9.770   3.160   1.349  1.00  0.800          O  
ATOM     99  CB  VAL A   7      11.709   2.811   3.607  1.00  1.210          C  
ATOM    100  CG1 VAL A   7      10.956   1.545   4.142  1.00  1.210          C  
ATOM    101  CG2 VAL A   7      13.005   3.083   4.380  1.00  1.210          C  
ATOM    102  H   VAL A   7      12.259   4.753   1.627  1.00  1.120          H  
ATOM    103  HA  VAL A   7      12.665   1.787   1.969  1.00  1.010          H  
ATOM    104  HB  VAL A   7      11.050   3.657   3.735  1.00  1.450          H  
ATOM    105 1HG1 VAL A   7      10.724   1.676   5.185  1.00  1.450          H  
ATOM    106 2HG1 VAL A   7      10.031   1.396   3.607  1.00  1.450          H  
ATOM    107 3HG1 VAL A   7      11.577   0.666   4.018  1.00  1.450          H  
ATOM    108 1HG2 VAL A   7      12.777   3.216   5.439  1.00  1.450          H  
ATOM    109 2HG2 VAL A   7      13.678   2.261   4.258  1.00  1.450          H  
ATOM    110 3HG2 VAL A   7      13.478   3.981   4.006  1.00  1.450          H  
ATOM    111  N   THR A   8      10.566   1.087   0.965  1.00  0.870          N  
ATOM    112  CA  THR A   8       9.307   0.630   0.395  1.00  0.910          C  
ATOM    113  C   THR A   8       8.620  -0.254   1.417  1.00  0.810          C  
ATOM    114  O   THR A   8       9.203  -1.214   1.933  1.00  0.980          O  
ATOM    115  CB  THR A   8       9.478  -0.138  -0.936  1.00  1.260          C  
ATOM    116  OG1 THR A   8      10.057   0.734  -1.917  1.00  1.260          O  
ATOM    117  CG2 THR A   8       8.095  -0.645  -1.431  1.00  1.260          C  
ATOM    118  H   THR A   8      11.365   0.449   1.055  1.00  1.040          H  
ATOM    119  HA  THR A   8       8.662   1.489   0.208  1.00  1.090          H  
ATOM    120  HB  THR A   8      10.143  -0.990  -0.788  1.00  1.510          H  
ATOM    121  HG1 THR A   8      10.996   0.828  -1.736  1.00  1.510          H  
ATOM    122 1HG2 THR A   8       8.222  -1.175  -2.371  1.00  1.510          H  
ATOM    123 2HG2 THR A   8       7.658  -1.324  -0.699  1.00  1.510          H  
ATOM    124 3HG2 THR A   8       7.423   0.192  -1.577  1.00  1.510          H  
ATOM    125  N   CYS A   9       7.375   0.080   1.730  1.00  0.830          N  
ATOM    126  CA  CYS A   9       6.597  -0.691   2.678  1.00  0.920          C  
ATOM    127  C   CYS A   9       5.433  -1.401   2.009  1.00  1.100          C  
ATOM    128  O   CYS A   9       4.346  -0.827   1.799  1.00  1.360          O  
ATOM    129  CB  CYS A   9       6.100   0.192   3.823  1.00  1.250          C  
ATOM    130  SG  CYS A   9       7.416   0.861   4.834  1.00  1.250          S  
ATOM    131  H   CYS A   9       6.948   0.903   1.295  1.00  1.000          H  
ATOM    132  HA  CYS A   9       7.239  -1.452   3.107  1.00  1.100          H  
ATOM    133 1HB  CYS A   9       5.564   1.025   3.406  1.00  1.500          H  
ATOM    134 2HB  CYS A   9       5.419  -0.367   4.464  1.00  1.500          H  
ATOM    135  HG  CYS A   9       6.769   1.939   5.295  1.00  1.500          H  
ATOM    136  N   GLY A  10       5.651  -2.669   1.652  1.00  1.280          N  
ATOM    137  CA  GLY A  10       4.663  -3.483   0.968  1.00  1.700          C  
ATOM    138  C   GLY A  10       3.728  -4.038   2.021  1.00  1.630          C  
ATOM    139  O   GLY A  10       3.695  -5.242   2.280  1.00  1.760          O  
ATOM    140  H   GLY A  10       6.536  -3.137   1.875  1.00  1.540          H  
ATOM    141 1HA  GLY A  10       4.113  -2.883   0.249  1.00  2.040          H  
ATOM    142 2HA  GLY A  10       5.158  -4.294   0.437  1.00  2.040          H  
ATOM    143  N   LYS A  11       3.000  -3.142   2.667  1.00  2.120          N  
ATOM    144  CA  LYS A  11       2.178  -3.496   3.803  1.00  2.310          C  
ATOM    145  C   LYS A  11       3.076  -4.180   4.829  1.00  2.330          C  
ATOM    146  O   LYS A  11       3.963  -3.547   5.394  1.00  2.970          O  
ATOM    147  CB  LYS A  11       0.987  -4.372   3.386  1.00  3.160          C  
ATOM    148  CG  LYS A  11       0.023  -3.676   2.440  1.00  3.160          C  
ATOM    149  CD  LYS A  11      -1.166  -4.562   2.098  1.00  3.160          C  
ATOM    150  CE  LYS A  11      -2.120  -3.864   1.133  1.00  3.160          C  
ATOM    151  NZ  LYS A  11      -3.273  -4.735   0.761  1.00  3.160          N  
ATOM    152  H   LYS A  11       3.108  -2.175   2.365  1.00  2.540          H  
ATOM    153  HA  LYS A  11       1.787  -2.583   4.257  1.00  2.770          H  
ATOM    154 1HB  LYS A  11       1.323  -5.279   2.894  1.00  3.790          H  
ATOM    155 2HB  LYS A  11       0.426  -4.664   4.278  1.00  3.790          H  
ATOM    156 1HG  LYS A  11      -0.334  -2.758   2.909  1.00  3.790          H  
ATOM    157 2HG  LYS A  11       0.551  -3.412   1.525  1.00  3.790          H  
ATOM    158 1HD  LYS A  11      -0.810  -5.487   1.640  1.00  3.790          H  
ATOM    159 2HD  LYS A  11      -1.705  -4.812   3.010  1.00  3.790          H  
ATOM    160 1HE  LYS A  11      -2.500  -2.958   1.602  1.00  3.790          H  
ATOM    161 2HE  LYS A  11      -1.577  -3.592   0.228  1.00  3.790          H  
ATOM    162 1HZ  LYS A  11      -3.880  -4.238   0.123  1.00  3.790          H  
ATOM    163 2HZ  LYS A  11      -2.932  -5.575   0.312  1.00  3.790          H  
ATOM    164 3HZ  LYS A  11      -3.791  -4.984   1.591  1.00  3.790          H  
ATOM    165  N   HIS A  12       2.924  -5.485   5.024  1.00  2.130          N  
ATOM    166  CA  HIS A  12       3.699  -6.172   6.046  1.00  2.320          C  
ATOM    167  C   HIS A  12       5.075  -6.696   5.602  1.00  2.100          C  
ATOM    168  O   HIS A  12       5.722  -7.415   6.366  1.00  2.290          O  
ATOM    169  CB  HIS A  12       2.877  -7.328   6.609  1.00  3.170          C  
ATOM    170  CG  HIS A  12       1.671  -6.871   7.366  1.00  3.170          C  
ATOM    171  ND1 HIS A  12       1.745  -6.347   8.641  1.00  3.170          N  
ATOM    172  CD2 HIS A  12       0.362  -6.843   7.021  1.00  3.170          C  
ATOM    173  CE1 HIS A  12       0.536  -6.029   9.050  1.00  3.170          C  
ATOM    174  NE2 HIS A  12      -0.327  -6.318   8.084  1.00  3.170          N  
ATOM    175  H   HIS A  12       2.237  -5.992   4.489  1.00  2.560          H  
ATOM    176  HA  HIS A  12       3.867  -5.474   6.864  1.00  2.780          H  
ATOM    177 1HB  HIS A  12       2.551  -7.974   5.795  1.00  3.810          H  
ATOM    178 2HB  HIS A  12       3.496  -7.922   7.280  1.00  3.810          H  
ATOM    179  HD1 HIS A  12       2.593  -6.219   9.210  1.00  3.810          H  
ATOM    180  HD2 HIS A  12      -0.173  -7.144   6.120  1.00  3.810          H  
ATOM    181  HE1 HIS A  12       0.389  -5.605  10.043  1.00  3.810          H  
ATOM    182  N   SER A  13       5.529  -6.329   4.399  1.00  1.830          N  
ATOM    183  CA  SER A  13       6.869  -6.710   3.925  1.00  1.840          C  
ATOM    184  C   SER A  13       7.663  -5.496   3.413  1.00  1.570          C  
ATOM    185  O   SER A  13       7.415  -4.964   2.317  1.00  1.450          O  
ATOM    186  CB  SER A  13       6.758  -7.738   2.822  1.00  2.570          C  
ATOM    187  OG  SER A  13       8.023  -8.065   2.309  1.00  2.570          O  
ATOM    188  H   SER A  13       4.909  -5.794   3.788  1.00  2.200          H  
ATOM    189  HA  SER A  13       7.424  -7.145   4.756  1.00  2.210          H  
ATOM    190 1HB  SER A  13       6.276  -8.632   3.211  1.00  3.090          H  
ATOM    191 2HB  SER A  13       6.126  -7.342   2.025  1.00  3.090          H  
ATOM    192  HG  SER A  13       7.873  -8.742   1.647  1.00  3.090          H  
ATOM    193  N   CYS A  14       8.668  -5.076   4.190  1.00  1.610          N  
ATOM    194  CA  CYS A  14       9.422  -3.878   3.852  1.00  1.450          C  
ATOM    195  C   CYS A  14      10.800  -4.158   3.284  1.00  1.540          C  
ATOM    196  O   CYS A  14      11.408  -5.201   3.540  1.00  1.710          O  
ATOM    197  CB  CYS A  14       9.561  -2.998   5.085  1.00  2.090          C  
ATOM    198  SG  CYS A  14       7.975  -2.516   5.733  1.00  2.090          S  
ATOM    199  H   CYS A  14       8.884  -5.551   5.073  1.00  1.930          H  
ATOM    200  HA  CYS A  14       8.858  -3.327   3.105  1.00  1.740          H  
ATOM    201 1HB  CYS A  14      10.115  -3.518   5.861  1.00  2.510          H  
ATOM    202 2HB  CYS A  14      10.112  -2.088   4.828  1.00  2.510          H  
ATOM    203  HG  CYS A  14       8.420  -2.062   6.926  1.00  2.510          H  
ATOM    204  N   SER A  15      11.304  -3.182   2.541  1.00  1.520          N  
ATOM    205  CA  SER A  15      12.645  -3.234   1.975  1.00  1.720          C  
ATOM    206  C   SER A  15      13.302  -1.859   1.970  1.00  1.600          C  
ATOM    207  O   SER A  15      12.718  -0.863   1.520  1.00  1.610          O  
ATOM    208  CB  SER A  15      12.585  -3.786   0.567  1.00  2.330          C  
ATOM    209  OG  SER A  15      13.853  -3.808  -0.017  1.00  2.330          O  
ATOM    210  H   SER A  15      10.701  -2.378   2.346  1.00  1.820          H  
ATOM    211  HA  SER A  15      13.254  -3.901   2.586  1.00  2.060          H  
ATOM    212 1HB  SER A  15      12.174  -4.793   0.593  1.00  2.790          H  
ATOM    213 2HB  SER A  15      11.912  -3.171  -0.034  1.00  2.790          H  
ATOM    214  HG  SER A  15      13.736  -4.195  -0.889  1.00  2.790          H  
ATOM    215  N   VAL A  16      14.517  -1.786   2.507  1.00  1.590          N  
ATOM    216  CA  VAL A  16      15.200  -0.501   2.570  1.00  1.540          C  
ATOM    217  C   VAL A  16      16.362  -0.553   1.585  1.00  1.490          C  
ATOM    218  O   VAL A  16      17.167  -1.495   1.597  1.00  1.470          O  
ATOM    219  CB  VAL A  16      15.661  -0.215   4.030  1.00  2.180          C  
ATOM    220  CG1 VAL A  16      14.512  -0.505   4.992  1.00  2.180          C  
ATOM    221  CG2 VAL A  16      16.919  -0.996   4.407  1.00  2.180          C  
ATOM    222  H   VAL A  16      14.957  -2.631   2.842  1.00  1.910          H  
ATOM    223  HA  VAL A  16      14.523   0.295   2.261  1.00  1.850          H  
ATOM    224  HB  VAL A  16      15.848   0.826   4.128  1.00  2.610          H  
ATOM    225 1HG1 VAL A  16      14.820  -0.243   6.007  1.00  2.610          H  
ATOM    226 2HG1 VAL A  16      13.660   0.077   4.720  1.00  2.610          H  
ATOM    227 3HG1 VAL A  16      14.247  -1.557   4.957  1.00  2.610          H  
ATOM    228 1HG2 VAL A  16      17.180  -0.746   5.428  1.00  2.610          H  
ATOM    229 2HG2 VAL A  16      16.731  -2.059   4.332  1.00  2.610          H  
ATOM    230 3HG2 VAL A  16      17.751  -0.731   3.765  1.00  2.610          H  
ATOM    231  N   ASP A  17      16.486   0.455   0.722  1.00  1.560          N  
ATOM    232  CA  ASP A  17      17.542   0.400  -0.284  1.00  1.620          C  
ATOM    233  C   ASP A  17      18.860   0.884   0.274  1.00  1.540          C  
ATOM    234  O   ASP A  17      19.334   1.971  -0.044  1.00  1.490          O  
ATOM    235  CB  ASP A  17      17.157   1.226  -1.517  1.00  2.240          C  
ATOM    236  CG  ASP A  17      18.118   1.050  -2.746  1.00  2.240          C  
ATOM    237  OD1 ASP A  17      19.178   0.424  -2.620  1.00  2.240          O  
ATOM    238  OD2 ASP A  17      17.759   1.527  -3.798  1.00  2.240          O  
ATOM    239  H   ASP A  17      15.825   1.241   0.755  1.00  1.870          H  
ATOM    240  HA  ASP A  17      17.664  -0.637  -0.595  1.00  1.940          H  
ATOM    241 1HB  ASP A  17      16.147   0.947  -1.827  1.00  2.690          H  
ATOM    242 2HB  ASP A  17      17.124   2.276  -1.247  1.00  2.690          H  
ATOM    243  N   TRP A  18      19.478   0.052   1.095  1.00  1.790          N  
ATOM    244  CA  TRP A  18      20.720   0.457   1.745  1.00  1.810          C  
ATOM    245  C   TRP A  18      21.865   0.541   0.750  1.00  1.470          C  
ATOM    246  O   TRP A  18      22.871   1.196   1.007  1.00  1.550          O  
ATOM    247  CB  TRP A  18      21.055  -0.480   2.899  1.00  2.530          C  
ATOM    248  CG  TRP A  18      21.234  -1.880   2.503  1.00  2.530          C  
ATOM    249  CD1 TRP A  18      20.281  -2.849   2.523  1.00  2.530          C  
ATOM    250  CD2 TRP A  18      22.441  -2.509   2.018  1.00  2.530          C  
ATOM    251  NE1 TRP A  18      20.809  -4.032   2.079  1.00  2.530          N  
ATOM    252  CE2 TRP A  18      22.129  -3.839   1.762  1.00  2.530          C  
ATOM    253  CE3 TRP A  18      23.746  -2.052   1.777  1.00  2.530          C  
ATOM    254  CZ2 TRP A  18      23.067  -4.727   1.274  1.00  2.530          C  
ATOM    255  CZ3 TRP A  18      24.680  -2.937   1.287  1.00  2.530          C  
ATOM    256  CH2 TRP A  18      24.352  -4.243   1.042  1.00  2.530          C  
ATOM    257  H   TRP A  18      19.006  -0.834   1.292  1.00  2.150          H  
ATOM    258  HA  TRP A  18      20.578   1.452   2.165  1.00  2.170          H  
ATOM    259 1HB  TRP A  18      21.969  -0.141   3.375  1.00  3.030          H  
ATOM    260 2HB  TRP A  18      20.261  -0.435   3.634  1.00  3.030          H  
ATOM    261  HD1 TRP A  18      19.246  -2.706   2.842  1.00  3.030          H  
ATOM    262  HE1 TRP A  18      20.303  -4.904   1.995  1.00  3.030          H  
ATOM    263  HE3 TRP A  18      24.017  -1.012   1.968  1.00  3.030          H  
ATOM    264  HZ2 TRP A  18      22.826  -5.771   1.072  1.00  3.030          H  
ATOM    265  HZ3 TRP A  18      25.688  -2.569   1.103  1.00  3.030          H  
ATOM    266  HH2 TRP A  18      25.115  -4.916   0.656  1.00  3.030          H  
ATOM    267  N   GLY A  19      21.715  -0.150  -0.377  1.00  1.600          N  
ATOM    268  CA  GLY A  19      22.708  -0.184  -1.437  1.00  1.990          C  
ATOM    269  C   GLY A  19      22.919   1.197  -2.046  1.00  2.060          C  
ATOM    270  O   GLY A  19      24.049   1.687  -2.129  1.00  2.530          O  
ATOM    271  H   GLY A  19      20.853  -0.665  -0.493  1.00  1.920          H  
ATOM    272 1HA  GLY A  19      23.648  -0.564  -1.043  1.00  2.390          H  
ATOM    273 2HA  GLY A  19      22.379  -0.876  -2.212  1.00  2.390          H  
ATOM    274  N   LYS A  20      21.821   1.822  -2.497  1.00  1.940          N  
ATOM    275  CA  LYS A  20      21.906   3.141  -3.122  1.00  2.490          C  
ATOM    276  C   LYS A  20      21.382   4.308  -2.277  1.00  2.550          C  
ATOM    277  O   LYS A  20      21.575   5.468  -2.650  1.00  3.150          O  
ATOM    278  CB  LYS A  20      21.182   3.125  -4.467  1.00  3.270          C  
ATOM    279  CG  LYS A  20      21.724   2.095  -5.492  1.00  3.270          C  
ATOM    280  CD  LYS A  20      23.176   2.370  -5.911  1.00  3.270          C  
ATOM    281  CE  LYS A  20      23.628   1.408  -7.001  1.00  3.270          C  
ATOM    282  NZ  LYS A  20      25.051   1.634  -7.390  1.00  3.270          N  
ATOM    283  H   LYS A  20      20.907   1.337  -2.446  1.00  2.330          H  
ATOM    284  HA  LYS A  20      22.955   3.353  -3.302  1.00  2.990          H  
ATOM    285 1HB  LYS A  20      20.125   2.895  -4.299  1.00  3.920          H  
ATOM    286 2HB  LYS A  20      21.232   4.114  -4.920  1.00  3.920          H  
ATOM    287 1HG  LYS A  20      21.665   1.097  -5.052  1.00  3.920          H  
ATOM    288 2HG  LYS A  20      21.091   2.113  -6.376  1.00  3.920          H  
ATOM    289 1HD  LYS A  20      23.267   3.395  -6.273  1.00  3.920          H  
ATOM    290 2HD  LYS A  20      23.842   2.240  -5.060  1.00  3.920          H  
ATOM    291 1HE  LYS A  20      23.518   0.386  -6.640  1.00  3.920          H  
ATOM    292 2HE  LYS A  20      22.997   1.541  -7.880  1.00  3.920          H  
ATOM    293 1HZ  LYS A  20      25.313   0.977  -8.112  1.00  3.920          H  
ATOM    294 2HZ  LYS A  20      25.162   2.577  -7.738  1.00  3.920          H  
ATOM    295 3HZ  LYS A  20      25.645   1.501  -6.582  1.00  3.920          H  
ATOM    296  N   ALA A  21      20.721   4.040  -1.154  1.00  2.210          N  
ATOM    297  CA  ALA A  21      20.130   5.071  -0.322  1.00  2.730          C  
ATOM    298  C   ALA A  21      20.417   4.791   1.138  1.00  2.210          C  
ATOM    299  O   ALA A  21      19.487   4.674   1.939  1.00  2.290          O  
ATOM    300  CB  ALA A  21      18.625   5.155  -0.542  1.00  3.610          C  
ATOM    301  H   ALA A  21      20.559   3.081  -0.844  1.00  2.650          H  
ATOM    302  HA  ALA A  21      20.587   6.027  -0.583  1.00  3.280          H  
ATOM    303 1HB  ALA A  21      18.207   5.943   0.082  1.00  4.340          H  
ATOM    304 2HB  ALA A  21      18.426   5.372  -1.591  1.00  4.340          H  
ATOM    305 3HB  ALA A  21      18.167   4.205  -0.275  1.00  4.340          H  
ATOM    306  N   THR A  22      21.702   4.735   1.509  1.00  1.820          N  
ATOM    307  CA  THR A  22      22.170   4.347   2.845  1.00  1.570          C  
ATOM    308  C   THR A  22      21.324   4.904   3.987  1.00  1.300          C  
ATOM    309  O   THR A  22      21.045   4.191   4.948  1.00  1.470          O  
ATOM    310  CB  THR A  22      23.635   4.792   3.047  1.00  2.300          C  
ATOM    311  OG1 THR A  22      24.465   4.155   2.069  1.00  2.300          O  
ATOM    312  CG2 THR A  22      24.111   4.401   4.442  1.00  2.300          C  
ATOM    313  H   THR A  22      22.422   4.890   0.811  1.00  2.180          H  
ATOM    314  HA  THR A  22      22.138   3.258   2.905  1.00  1.880          H  
ATOM    315  HB  THR A  22      23.712   5.871   2.926  1.00  2.760          H  
ATOM    316  HG1 THR A  22      25.341   4.546   2.080  1.00  2.760          H  
ATOM    317 1HG2 THR A  22      25.144   4.710   4.570  1.00  2.760          H  
ATOM    318 2HG2 THR A  22      23.504   4.893   5.183  1.00  2.760          H  
ATOM    319 3HG2 THR A  22      24.036   3.321   4.566  1.00  2.760          H  
ATOM    320  N   THR A  23      20.902   6.164   3.890  1.00  1.290          N  
ATOM    321  CA  THR A  23      20.109   6.818   4.924  1.00  1.390          C  
ATOM    322  C   THR A  23      18.984   5.908   5.456  1.00  1.470          C  
ATOM    323  O   THR A  23      18.729   5.858   6.669  1.00  1.530          O  
ATOM    324  CB  THR A  23      19.473   8.109   4.352  1.00  1.910          C  
ATOM    325  OG1 THR A  23      20.505   9.003   3.905  1.00  1.910          O  
ATOM    326  CG2 THR A  23      18.649   8.817   5.416  1.00  1.910          C  
ATOM    327  H   THR A  23      21.162   6.716   3.084  1.00  1.550          H  
ATOM    328  HA  THR A  23      20.766   7.078   5.751  1.00  1.670          H  
ATOM    329  HB  THR A  23      18.831   7.854   3.508  1.00  2.290          H  
ATOM    330  HG1 THR A  23      20.091   9.715   3.403  1.00  2.290          H  
ATOM    331 1HG2 THR A  23      18.223   9.719   4.986  1.00  2.290          H  
ATOM    332 2HG2 THR A  23      17.844   8.172   5.762  1.00  2.290          H  
ATOM    333 3HG2 THR A  23      19.290   9.082   6.252  1.00  2.290          H  
ATOM    334  N   CYS A  24      18.336   5.154   4.565  1.00  1.720          N  
ATOM    335  CA  CYS A  24      17.184   4.306   4.870  1.00  2.090          C  
ATOM    336  C   CYS A  24      17.417   3.213   5.928  1.00  2.070          C  
ATOM    337  O   CYS A  24      16.459   2.597   6.402  1.00  2.380          O  
ATOM    338  CB  CYS A  24      16.774   3.583   3.619  1.00  2.780          C  
ATOM    339  SG  CYS A  24      17.975   2.388   3.149  1.00  2.780          S  
ATOM    340  H   CYS A  24      18.637   5.190   3.588  1.00  2.060          H  
ATOM    341  HA  CYS A  24      16.377   4.958   5.186  1.00  2.510          H  
ATOM    342 1HB  CYS A  24      15.825   3.101   3.754  1.00  3.330          H  
ATOM    343 2HB  CYS A  24      16.680   4.294   2.814  1.00  3.330          H  
ATOM    344  HG  CYS A  24      18.823   3.267   2.582  1.00  3.330          H  
ATOM    345  N   ILE A  25      18.683   2.910   6.240  1.00  1.920          N  
ATOM    346  CA  ILE A  25      19.006   1.883   7.227  1.00  2.260          C  
ATOM    347  C   ILE A  25      19.845   2.461   8.378  1.00  2.170          C  
ATOM    348  O   ILE A  25      20.353   1.719   9.223  1.00  2.690          O  
ATOM    349  CB  ILE A  25      19.731   0.694   6.527  1.00  3.030          C  
ATOM    350  CG1 ILE A  25      19.695  -0.578   7.413  1.00  3.030          C  
ATOM    351  CG2 ILE A  25      21.180   1.072   6.176  1.00  3.030          C  
ATOM    352  CD1 ILE A  25      20.048  -1.871   6.664  1.00  3.030          C  
ATOM    353  H   ILE A  25      19.427   3.432   5.771  1.00  2.300          H  
ATOM    354  HA  ILE A  25      18.076   1.511   7.650  1.00  2.710          H  
ATOM    355  HB  ILE A  25      19.209   0.465   5.612  1.00  3.630          H  
ATOM    356 1HG1 ILE A  25      20.400  -0.474   8.231  1.00  3.630          H  
ATOM    357 2HG1 ILE A  25      18.692  -0.682   7.832  1.00  3.630          H  
ATOM    358 1HG2 ILE A  25      21.669   0.262   5.671  1.00  3.630          H  
ATOM    359 2HG2 ILE A  25      21.175   1.924   5.530  1.00  3.630          H  
ATOM    360 3HG2 ILE A  25      21.740   1.304   7.079  1.00  3.630          H  
ATOM    361 1HD1 ILE A  25      19.990  -2.710   7.356  1.00  3.630          H  
ATOM    362 2HD1 ILE A  25      19.342  -2.024   5.850  1.00  3.630          H  
ATOM    363 3HD1 ILE A  25      21.051  -1.819   6.259  1.00  3.630          H  
ATOM    364  N   ILE A  26      20.025   3.780   8.377  1.00  1.710          N  
ATOM    365  CA  ILE A  26      20.812   4.486   9.385  1.00  1.920          C  
ATOM    366  C   ILE A  26      19.915   5.401  10.198  1.00  1.900          C  
ATOM    367  O   ILE A  26      20.006   5.470  11.422  1.00  2.300          O  
ATOM    368  CB  ILE A  26      21.962   5.301   8.751  1.00  2.600          C  
ATOM    369  CG1 ILE A  26      22.901   4.371   7.919  1.00  2.600          C  
ATOM    370  CG2 ILE A  26      22.744   6.077   9.828  1.00  2.600          C  
ATOM    371  CD1 ILE A  26      23.592   3.240   8.660  1.00  2.600          C  
ATOM    372  H   ILE A  26      19.553   4.326   7.656  1.00  2.050          H  
ATOM    373  HA  ILE A  26      21.232   3.759  10.075  1.00  2.300          H  
ATOM    374  HB  ILE A  26      21.533   6.014   8.046  1.00  3.120          H  
ATOM    375 1HG1 ILE A  26      22.315   3.931   7.121  1.00  3.120          H  
ATOM    376 2HG1 ILE A  26      23.675   4.993   7.482  1.00  3.120          H  
ATOM    377 1HG2 ILE A  26      23.533   6.658   9.352  1.00  3.120          H  
ATOM    378 2HG2 ILE A  26      22.080   6.756  10.360  1.00  3.120          H  
ATOM    379 3HG2 ILE A  26      23.184   5.387  10.542  1.00  3.120          H  
ATOM    380 1HD1 ILE A  26      24.209   2.687   7.952  1.00  3.120          H  
ATOM    381 2HD1 ILE A  26      24.223   3.633   9.449  1.00  3.120          H  
ATOM    382 3HD1 ILE A  26      22.859   2.562   9.086  1.00  3.120          H  
ATOM    383  N   ASN A  27      19.107   6.168   9.482  1.00  1.630          N  
ATOM    384  CA  ASN A  27      18.184   7.129  10.036  1.00  1.810          C  
ATOM    385  C   ASN A  27      17.116   6.438  10.876  1.00  2.060          C  
ATOM    386  O   ASN A  27      16.445   5.512  10.406  1.00  2.450          O  
ATOM    387  CB  ASN A  27      17.587   7.917   8.883  1.00  2.460          C  
ATOM    388  CG  ASN A  27      16.722   9.034   9.279  1.00  2.460          C  
ATOM    389  OD1 ASN A  27      15.552   8.821   9.632  1.00  2.460          O  
ATOM    390  ND2 ASN A  27      17.249  10.238   9.231  1.00  2.460          N  
ATOM    391  H   ASN A  27      19.113   6.062   8.471  1.00  1.960          H  
ATOM    392  HA  ASN A  27      18.737   7.806  10.688  1.00  2.170          H  
ATOM    393 1HB  ASN A  27      18.401   8.312   8.292  1.00  2.950          H  
ATOM    394 2HB  ASN A  27      17.028   7.245   8.242  1.00  2.950          H  
ATOM    395 1HD2 ASN A  27      16.702  11.039   9.486  1.00  2.950          H  
ATOM    396 2HD2 ASN A  27      18.198  10.359   8.932  1.00  2.950          H  
ATOM    397  N   ASN A  28      16.942   6.897  12.118  1.00  2.280          N  
ATOM    398  CA  ASN A  28      15.955   6.292  13.004  1.00  2.640          C  
ATOM    399  C   ASN A  28      14.539   6.470  12.485  1.00  2.240          C  
ATOM    400  O   ASN A  28      13.685   5.609  12.703  1.00  2.410          O  
ATOM    401  CB  ASN A  28      16.076   6.855  14.400  1.00  3.550          C  
ATOM    402  CG  ASN A  28      17.294   6.351  15.116  1.00  3.550          C  
ATOM    403  OD1 ASN A  28      17.861   5.305  14.784  1.00  3.550          O  
ATOM    404  ND2 ASN A  28      17.715   7.088  16.107  1.00  3.550          N  
ATOM    405  H   ASN A  28      17.532   7.647  12.452  1.00  2.740          H  
ATOM    406  HA  ASN A  28      16.143   5.222  13.048  1.00  3.170          H  
ATOM    407 1HB  ASN A  28      16.117   7.941  14.350  1.00  4.260          H  
ATOM    408 2HB  ASN A  28      15.191   6.586  14.977  1.00  4.260          H  
ATOM    409 1HD2 ASN A  28      18.523   6.809  16.626  1.00  4.260          H  
ATOM    410 2HD2 ASN A  28      17.232   7.928  16.350  1.00  4.260          H  
ATOM    411  N   GLY A  29      14.280   7.597  11.820  1.00  1.900          N  
ATOM    412  CA  GLY A  29      12.974   7.884  11.253  1.00  1.730          C  
ATOM    413  C   GLY A  29      12.649   6.846  10.197  1.00  1.420          C  
ATOM    414  O   GLY A  29      11.558   6.269  10.188  1.00  1.320          O  
ATOM    415  H   GLY A  29      15.011   8.284  11.695  1.00  2.280          H  
ATOM    416 1HA  GLY A  29      12.219   7.871  12.039  1.00  2.080          H  
ATOM    417 2HA  GLY A  29      12.978   8.881  10.811  1.00  2.080          H  
ATOM    418  N   ALA A  30      13.598   6.640   9.282  1.00  1.420          N  
ATOM    419  CA  ALA A  30      13.414   5.679   8.199  1.00  1.360          C  
ATOM    420  C   ALA A  30      13.178   4.268   8.734  1.00  1.120          C  
ATOM    421  O   ALA A  30      12.281   3.560   8.255  1.00  1.100          O  
ATOM    422  CB  ALA A  30      14.637   5.671   7.302  1.00  1.930          C  
ATOM    423  H   ALA A  30      14.448   7.203   9.353  1.00  1.700          H  
ATOM    424  HA  ALA A  30      12.543   5.984   7.624  1.00  1.630          H  
ATOM    425 1HB  ALA A  30      14.470   4.972   6.487  1.00  2.310          H  
ATOM    426 2HB  ALA A  30      14.817   6.661   6.907  1.00  2.310          H  
ATOM    427 3HB  ALA A  30      15.507   5.356   7.879  1.00  2.310          H  
ATOM    428  N   MET A  31      13.922   3.882   9.773  1.00  1.140          N  
ATOM    429  CA  MET A  31      13.745   2.568  10.359  1.00  1.250          C  
ATOM    430  C   MET A  31      12.407   2.437  11.087  1.00  1.170          C  
ATOM    431  O   MET A  31      11.778   1.371  11.024  1.00  1.280          O  
ATOM    432  CB  MET A  31      14.935   2.238  11.235  1.00  1.710          C  
ATOM    433  CG  MET A  31      16.200   1.975  10.409  1.00  1.710          C  
ATOM    434  SD  MET A  31      17.593   1.372  11.360  1.00  1.710          S  
ATOM    435  CE  MET A  31      18.110   2.895  12.111  1.00  1.710          C  
ATOM    436  H   MET A  31      14.659   4.503  10.125  1.00  1.370          H  
ATOM    437  HA  MET A  31      13.739   1.843   9.547  1.00  1.500          H  
ATOM    438 1HB  MET A  31      15.122   3.080  11.898  1.00  2.050          H  
ATOM    439 2HB  MET A  31      14.719   1.365  11.847  1.00  2.050          H  
ATOM    440 1HG  MET A  31      15.978   1.248   9.628  1.00  2.050          H  
ATOM    441 2HG  MET A  31      16.502   2.904   9.915  1.00  2.050          H  
ATOM    442 1HE  MET A  31      19.002   2.732  12.713  1.00  2.050          H  
ATOM    443 2HE  MET A  31      18.323   3.598  11.334  1.00  2.050          H  
ATOM    444 3HE  MET A  31      17.327   3.286  12.737  1.00  2.050          H  
ATOM    445  N   ALA A  32      11.965   3.502  11.782  1.00  1.200          N  
ATOM    446  CA  ALA A  32      10.671   3.480  12.456  1.00  1.350          C  
ATOM    447  C   ALA A  32       9.571   3.285  11.428  1.00  1.180          C  
ATOM    448  O   ALA A  32       8.628   2.524  11.653  1.00  1.300          O  
ATOM    449  CB  ALA A  32      10.446   4.770  13.217  1.00  1.830          C  
ATOM    450  H   ALA A  32      12.557   4.332  11.883  1.00  1.440          H  
ATOM    451  HA  ALA A  32      10.654   2.643  13.151  1.00  1.620          H  
ATOM    452 1HB  ALA A  32       9.483   4.748  13.720  1.00  2.200          H  
ATOM    453 2HB  ALA A  32      11.237   4.901  13.953  1.00  2.200          H  
ATOM    454 3HB  ALA A  32      10.462   5.605  12.517  1.00  2.200          H  
ATOM    455  N   TRP A  33       9.714   3.945  10.284  1.00  1.060          N  
ATOM    456  CA  TRP A  33       8.778   3.818   9.187  1.00  1.130          C  
ATOM    457  C   TRP A  33       8.701   2.387   8.670  1.00  1.060          C  
ATOM    458  O   TRP A  33       7.601   1.837   8.526  1.00  1.300          O  
ATOM    459  CB  TRP A  33       9.153   4.796   8.091  1.00  1.550          C  
ATOM    460  CG  TRP A  33       8.453   4.577   6.877  1.00  1.550          C  
ATOM    461  CD1 TRP A  33       9.015   4.091   5.778  1.00  1.550          C  
ATOM    462  CD2 TRP A  33       7.070   4.771   6.575  1.00  1.550          C  
ATOM    463  NE1 TRP A  33       8.107   3.974   4.798  1.00  1.550          N  
ATOM    464  CE2 TRP A  33       6.903   4.381   5.263  1.00  1.550          C  
ATOM    465  CE3 TRP A  33       5.969   5.224   7.310  1.00  1.550          C  
ATOM    466  CZ2 TRP A  33       5.700   4.431   4.642  1.00  1.550          C  
ATOM    467  CZ3 TRP A  33       4.739   5.273   6.686  1.00  1.550          C  
ATOM    468  CH2 TRP A  33       4.605   4.887   5.383  1.00  1.550          C  
ATOM    469  H   TRP A  33      10.489   4.612  10.192  1.00  1.270          H  
ATOM    470  HA  TRP A  33       7.792   4.099   9.557  1.00  1.360          H  
ATOM    471 1HB  TRP A  33       8.948   5.808   8.436  1.00  1.860          H  
ATOM    472 2HB  TRP A  33      10.205   4.735   7.891  1.00  1.860          H  
ATOM    473  HD1 TRP A  33      10.057   3.831   5.712  1.00  1.860          H  
ATOM    474  HE1 TRP A  33       8.289   3.609   3.864  1.00  1.860          H  
ATOM    475  HE3 TRP A  33       6.076   5.534   8.357  1.00  1.860          H  
ATOM    476  HZ2 TRP A  33       5.598   4.123   3.615  1.00  1.860          H  
ATOM    477  HZ3 TRP A  33       3.880   5.628   7.259  1.00  1.860          H  
ATOM    478  HH2 TRP A  33       3.620   4.944   4.925  1.00  1.860          H  
ATOM    479  N   ALA A  34       9.868   1.782   8.394  1.00  0.980          N  
ATOM    480  CA  ALA A  34       9.914   0.405   7.915  1.00  1.260          C  
ATOM    481  C   ALA A  34       9.281  -0.541   8.939  1.00  1.500          C  
ATOM    482  O   ALA A  34       8.552  -1.475   8.570  1.00  1.830          O  
ATOM    483  CB  ALA A  34      11.352  -0.006   7.650  1.00  1.650          C  
ATOM    484  H   ALA A  34      10.737   2.315   8.499  1.00  1.180          H  
ATOM    485  HA  ALA A  34       9.348   0.346   6.992  1.00  1.510          H  
ATOM    486 1HB  ALA A  34      11.374  -1.027   7.275  1.00  1.980          H  
ATOM    487 2HB  ALA A  34      11.799   0.660   6.921  1.00  1.980          H  
ATOM    488 3HB  ALA A  34      11.916   0.057   8.581  1.00  1.980          H  
ATOM    489  N   THR A  35       9.526  -0.269  10.232  1.00  1.440          N  
ATOM    490  CA  THR A  35       8.978  -1.051  11.331  1.00  1.760          C  
ATOM    491  C   THR A  35       7.467  -0.945  11.282  1.00  1.830          C  
ATOM    492  O   THR A  35       6.757  -1.955  11.358  1.00  2.260          O  
ATOM    493  CB  THR A  35       9.497  -0.549  12.697  1.00  2.340          C  
ATOM    494  OG1 THR A  35      10.932  -0.679  12.747  1.00  2.340          O  
ATOM    495  CG2 THR A  35       8.867  -1.362  13.826  1.00  2.340          C  
ATOM    496  H   THR A  35      10.169   0.493  10.458  1.00  1.730          H  
ATOM    497  HA  THR A  35       9.263  -2.094  11.203  1.00  2.110          H  
ATOM    498  HB  THR A  35       9.234   0.485  12.833  1.00  2.800          H  
ATOM    499  HG1 THR A  35      11.338  -0.036  12.115  1.00  2.800          H  
ATOM    500 1HG2 THR A  35       9.239  -0.997  14.781  1.00  2.800          H  
ATOM    501 2HG2 THR A  35       7.786  -1.253  13.800  1.00  2.800          H  
ATOM    502 3HG2 THR A  35       9.129  -2.411  13.710  1.00  2.800          H  
ATOM    503  N   GLY A  36       6.978   0.282  11.100  1.00  1.610          N  
ATOM    504  CA  GLY A  36       5.566   0.568  10.999  1.00  1.800          C  
ATOM    505  C   GLY A  36       4.938  -0.348   9.976  1.00  2.110          C  
ATOM    506  O   GLY A  36       3.937  -1.021  10.256  1.00  2.750          O  
ATOM    507  H   GLY A  36       7.624   1.075  11.092  1.00  1.930          H  
ATOM    508 1HA  GLY A  36       5.096   0.461  11.970  1.00  2.160          H  
ATOM    509 2HA  GLY A  36       5.445   1.598  10.670  1.00  2.160          H  
ATOM    510  N   GLY A  37       5.521  -0.370   8.779  1.00  2.180          N  
ATOM    511  CA  GLY A  37       5.015  -1.211   7.707  1.00  2.790          C  
ATOM    512  C   GLY A  37       4.842  -2.638   8.206  1.00  3.050          C  
ATOM    513  O   GLY A  37       3.744  -3.190   8.168  1.00  3.390          O  
ATOM    514  H   GLY A  37       6.332   0.244   8.621  1.00  2.620          H  
ATOM    515 1HA  GLY A  37       4.063  -0.825   7.358  1.00  3.350          H  
ATOM    516 2HA  GLY A  37       5.701  -1.186   6.868  1.00  3.350          H  
ATOM    517  N   HIS A  38       5.890  -3.214   8.796  1.00  3.340          N  
ATOM    518  CA  HIS A  38       5.801  -4.595   9.277  1.00  3.970          C  
ATOM    519  C   HIS A  38       4.683  -4.788  10.304  1.00  4.000          C  
ATOM    520  O   HIS A  38       4.061  -5.856  10.351  1.00  4.600          O  
ATOM    521  CB  HIS A  38       7.134  -5.073   9.863  1.00  5.310          C  
ATOM    522  CG  HIS A  38       8.173  -5.399   8.831  1.00  5.310          C  
ATOM    523  ND1 HIS A  38       9.490  -5.638   9.150  1.00  5.310          N  
ATOM    524  CD2 HIS A  38       8.076  -5.542   7.494  1.00  5.310          C  
ATOM    525  CE1 HIS A  38      10.163  -5.918   8.045  1.00  5.310          C  
ATOM    526  NE2 HIS A  38       9.322  -5.870   7.015  1.00  5.310          N  
ATOM    527  H   HIS A  38       6.771  -2.688   8.857  1.00  4.010          H  
ATOM    528  HA  HIS A  38       5.571  -5.246   8.439  1.00  4.760          H  
ATOM    529 1HB  HIS A  38       7.535  -4.296  10.515  1.00  6.370          H  
ATOM    530 2HB  HIS A  38       6.965  -5.958  10.473  1.00  6.370          H  
ATOM    531  HD1 HIS A  38       9.908  -5.528  10.057  1.00  6.370          H  
ATOM    532  HD2 HIS A  38       7.249  -5.445   6.810  1.00  6.370          H  
ATOM    533  HE1 HIS A  38      11.230  -6.137   8.086  1.00  6.370          H  
ATOM    534  N   GLN A  39       4.441  -3.770  11.137  1.00  3.700          N  
ATOM    535  CA  GLN A  39       3.384  -3.804  12.147  1.00  3.920          C  
ATOM    536  C   GLN A  39       1.994  -3.508  11.555  1.00  3.730          C  
ATOM    537  O   GLN A  39       0.977  -3.755  12.206  1.00  4.020          O  
ATOM    538  CB  GLN A  39       3.617  -2.732  13.223  1.00  5.400          C  
ATOM    539  CG  GLN A  39       4.820  -2.873  14.131  1.00  5.400          C  
ATOM    540  CD  GLN A  39       4.883  -1.657  15.076  1.00  5.400          C  
ATOM    541  OE1 GLN A  39       4.028  -0.752  14.949  1.00  5.400          O  
ATOM    542  NE2 GLN A  39       5.853  -1.630  15.984  1.00  5.400          N  
ATOM    543  H   GLN A  39       5.051  -2.944  11.076  1.00  4.440          H  
ATOM    544  HA  GLN A  39       3.367  -4.792  12.602  1.00  4.700          H  
ATOM    545 1HB  GLN A  39       3.733  -1.780  12.722  1.00  6.480          H  
ATOM    546 2HB  GLN A  39       2.732  -2.658  13.852  1.00  6.480          H  
ATOM    547 1HG  GLN A  39       4.722  -3.780  14.725  1.00  6.480          H  
ATOM    548 2HG  GLN A  39       5.727  -2.907  13.530  1.00  6.480          H  
ATOM    549 1HE2 GLN A  39       5.928  -0.857  16.616  1.00  6.480          H  
ATOM    550 2HE2 GLN A  39       6.509  -2.386  16.041  1.00  6.480          H  
ATOM    551  N   GLY A  40       1.950  -2.937  10.343  1.00  3.690          N  
ATOM    552  CA  GLY A  40       0.720  -2.483   9.692  1.00  4.120          C  
ATOM    553  C   GLY A  40       0.372  -1.076  10.181  1.00  4.250          C  
ATOM    554  O   GLY A  40      -0.740  -0.576   9.987  1.00  4.600          O  
ATOM    555  H   GLY A  40       2.822  -2.786   9.826  1.00  4.430          H  
ATOM    556 1HA  GLY A  40       0.872  -2.476   8.611  1.00  4.940          H  
ATOM    557 2HA  GLY A  40      -0.095  -3.168   9.910  1.00  4.940          H  
ATOM    558  N   ASN A  41       1.330  -0.480  10.880  1.00  4.440          N  
ATOM    559  CA  ASN A  41       1.258   0.827  11.491  1.00  4.990          C  
ATOM    560  C   ASN A  41       1.865   1.894  10.598  1.00  5.270          C  
ATOM    561  O   ASN A  41       3.042   2.239  10.720  1.00  5.550          O  
ATOM    562  CB  ASN A  41       1.980   0.775  12.814  1.00  6.770          C  
ATOM    563  CG  ASN A  41       1.935   2.010  13.591  1.00  6.770          C  
ATOM    564  OD1 ASN A  41       1.487   3.089  13.134  1.00  6.770          O  
ATOM    565  ND2 ASN A  41       2.444   1.892  14.805  1.00  6.770          N  
ATOM    566  H   ASN A  41       2.219  -0.970  10.938  1.00  5.330          H  
ATOM    567  HA  ASN A  41       0.210   1.080  11.654  1.00  5.990          H  
ATOM    568 1HB  ASN A  41       1.554  -0.029  13.418  1.00  8.120          H  
ATOM    569 2HB  ASN A  41       3.004   0.519  12.645  1.00  8.120          H  
ATOM    570 1HD2 ASN A  41       2.477   2.680  15.420  1.00  8.120          H  
ATOM    571 2HD2 ASN A  41       2.852   0.987  15.090  1.00  8.120          H  
ATOM    572  N   HIS A  42       1.046   2.552   9.808  1.00  5.540          N  
ATOM    573  CA  HIS A  42       1.581   3.504   8.851  1.00  6.150          C  
ATOM    574  C   HIS A  42       1.573   4.911   9.437  1.00  6.320          C  
ATOM    575  O   HIS A  42       1.608   5.907   8.712  1.00  6.790          O  
ATOM    576  CB  HIS A  42       0.808   3.417   7.532  1.00  8.370          C  
ATOM    577  CG  HIS A  42       0.976   2.067   6.874  1.00  8.370          C  
ATOM    578  ND1 HIS A  42       2.140   1.684   6.232  1.00  8.370          N  
ATOM    579  CD2 HIS A  42       0.135   1.011   6.791  1.00  8.370          C  
ATOM    580  CE1 HIS A  42       1.998   0.450   5.776  1.00  8.370          C  
ATOM    581  NE2 HIS A  42       0.795   0.022   6.108  1.00  8.370          N  
ATOM    582  H   HIS A  42       0.060   2.317   9.792  1.00  6.650          H  
ATOM    583  HA  HIS A  42       2.618   3.252   8.629  1.00  7.380          H  
ATOM    584 1HB  HIS A  42      -0.254   3.589   7.710  1.00 10.040          H  
ATOM    585 2HB  HIS A  42       1.161   4.183   6.841  1.00 10.040          H  
ATOM    586  HD1 HIS A  42       2.920   2.275   6.020  1.00 10.040          H  
ATOM    587  HD2 HIS A  42      -0.878   0.839   7.155  1.00 10.040          H  
ATOM    588  HE1 HIS A  42       2.808  -0.040   5.231  1.00 10.040          H  
ATOM    589  N   LYS A  43       1.474   4.979  10.774  1.00  6.200          N  
ATOM    590  CA  LYS A  43       1.547   6.223  11.510  1.00  6.570          C  
ATOM    591  C   LYS A  43       2.867   6.276  12.286  1.00  6.080          C  
ATOM    592  O   LYS A  43       3.128   7.242  13.004  1.00  6.200          O  
ATOM    593  CB  LYS A  43       0.359   6.364  12.463  1.00  9.050          C  
ATOM    594  CG  LYS A  43      -0.994   6.458  11.769  1.00  9.050          C  
ATOM    595  CD  LYS A  43      -2.124   6.632  12.781  1.00  9.050          C  
ATOM    596  CE  LYS A  43      -3.483   6.744  12.095  1.00  9.050          C  
ATOM    597  NZ  LYS A  43      -4.597   6.887  13.082  1.00  9.050          N  
ATOM    598  H   LYS A  43       1.388   4.126  11.335  1.00  7.440          H  
ATOM    599  HA  LYS A  43       1.538   7.055  10.807  1.00  7.880          H  
ATOM    600 1HB  LYS A  43       0.337   5.512  13.141  1.00 10.860          H  
ATOM    601 2HB  LYS A  43       0.489   7.260  13.069  1.00 10.860          H  
ATOM    602 1HG  LYS A  43      -0.987   7.303  11.080  1.00 10.860          H  
ATOM    603 2HG  LYS A  43      -1.164   5.549  11.195  1.00 10.860          H  
ATOM    604 1HD  LYS A  43      -2.138   5.774  13.456  1.00 10.860          H  
ATOM    605 2HD  LYS A  43      -1.949   7.532  13.371  1.00 10.860          H  
ATOM    606 1HE  LYS A  43      -3.480   7.613  11.439  1.00 10.860          H  
ATOM    607 2HE  LYS A  43      -3.656   5.849  11.496  1.00 10.860          H  
ATOM    608 1HZ  LYS A  43      -5.477   6.958  12.590  1.00 10.860          H  
ATOM    609 2HZ  LYS A  43      -4.618   6.079  13.690  1.00 10.860          H  
ATOM    610 3HZ  LYS A  43      -4.455   7.720  13.636  1.00 10.860          H  
ATOM    611  N   CYS A  44       3.680   5.221  12.158  1.00  5.790          N  
ATOM    612  CA  CYS A  44       4.955   5.123  12.862  1.00  5.570          C  
ATOM    613  C   CYS A  44       6.079   5.768  12.063  1.00  5.870          C  
ATOM    614  O   CYS A  44       7.024   6.298  12.644  1.00  5.900          O  
ATOM    615  OXT CYS A  44       6.215   5.433  10.889  1.00  8.360          O  
ATOM    616  CB  CYS A  44       5.281   3.660  13.129  1.00  7.650          C  
ATOM    617  SG  CYS A  44       6.833   3.337  13.962  1.00  7.650          S  
ATOM    618  H   CYS A  44       3.405   4.444  11.555  1.00  6.950          H  
ATOM    619  HA  CYS A  44       4.863   5.638  13.818  1.00  6.680          H  
ATOM    620 1HB  CYS A  44       4.502   3.242  13.728  1.00  9.180          H  
ATOM    621 2HB  CYS A  44       5.285   3.139  12.204  1.00  9.180          H  
ATOM    622  HG  CYS A  44       7.586   3.361  12.837  1.00  9.180          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 -214.469 20.3265 167.96 -11.918 3.68806 8.68417 85.4085 -93.5164 -0.30806 -2.24421 -80.8758 -16.0239 -27.9235 -7.62858 -8.04106 -0.92884 0 0.16578 1.41595 16.9142 26.2129 -7.71092 10.3679 20.7953 9.09977 17.3497 -83.1997
LYS:NtermProteinFull_1 -3.37792 0.14177 1.30078 -0.31242 0.02916 0.15303 0.19129 -0.81355 -0 -0 -0.42617 0.80918 0 0 0 0 0 0.00438 0.00394 1.66885 0 0 0 -1.5107 0 0.04232 -2.09606
TYR_2 -6.32798 0.57305 3.46831 -0.5782 0.07556 0.29118 1.93511 -2.12958 -0 -0 -2.21032 -0.16293 0 0 0 0 0 0.0874 0.00018 0 2.01097 -0.34667 0.00052 1.2797 -0.1369 0.20363 -1.96694
TYR_3 -4.88028 0.38225 2.02577 -0.60356 0.07362 0.32586 0.85649 -1.50965 -0.00441 -0.08642 -0.57093 -0.17534 0 0 0 0 0 -0.00419 0.00165 0 1.84178 -0.26361 0.00176 1.2797 -0.27557 0.33998 -1.2451
GLY_4 -2.78128 0.29966 3.02636 -0.00067 0 0 1.98147 -1.56016 -0 -0 -2.35893 -0.23189 0 0 0 0 0 0.21269 0 0 0 -0.83568 0 0.83697 0.37971 0.42655 -0.6052
ASN_5 -3.36189 0.36983 2.52227 -0.34886 0.06189 0.69333 1.10965 -1.50416 -0.00216 -0.04016 -0.15953 -0.60901 0 0 0 0 0 -0.02823 0.00176 0 1.89302 -0.51069 0 -0.93687 0.73506 0.53854 0.42381
GLY_6 -2.8474 0.23933 2.64431 -5e-05 0 0 1.72541 -1.42901 -0.01449 -0.05861 -2.28025 -0.41878 0 0 0 0 0 -0.05134 0 0 0 -1.38532 0 0.83697 -0.22649 0.40539 -2.86033
VAL_7 -8.09606 0.97563 2.94544 -0.27707 0.24148 0.06231 2.46967 -2.72761 -0.0039 -0.0114 -2.09951 -0.28097 0 0 0 0 0 0.19431 0.02721 0.28501 0 -0.79542 0 1.9342 -0.66656 0.38695 -5.43628
THR_8 -5.01491 0.41353 3.27506 -0.17287 0.09717 0.06208 2.49692 -1.97762 -0.0189 -0.14503 -2.85987 -0.1969 0 0 0 0 0 -0.02624 0.02105 0.1139 0 -0.05283 2.27805 -1.0874 -0.17764 0.45254 -2.51992
CYS_9 -7.6572 0.98526 3.81585 -0.048 0.00229 0.02059 2.14995 -2.1615 -0.0039 -0.0114 -3.45727 -0.40344 0 0 0 0 0 0.03394 0.03637 0.64611 0 -0.19483 0 3.6196 0.63557 0.38665 -1.60536
GLY_10 -3.21615 0.20388 3.66164 -0.00015 0 0 1.48543 -1.7718 -0 -0 -1.69984 -0.43971 0 0 0 0 0 0.16713 0 0 0 0.41447 0 0.83697 1.3629 0.41191 1.41667
LYS_11 -3.49359 0.52156 3.70993 -0.274 0.03685 0.12518 1.56696 -1.82732 -0 -0 -0.65563 -0.14879 0 0 0 0 0 -0.14946 0.001 0.97143 0 0.30468 0 -1.5107 1.91727 0.47374 1.5691
HIS_D_12 -4.39124 0.33607 3.78889 -0.42743 0.03559 0.55206 1.00859 -2.03593 -0.01822 -0.13804 -1.02989 -0.3673 0 0 -0.52541 0 0 0.06503 0.00081 0 1.76992 -0.15599 0 -0.45461 0.9714 0.51247 -0.50323
SER_13 -2.93496 0.12505 3.44725 -0.03654 0.0027 0.06999 1.49435 -1.72307 -0 -0 -1.75447 -0.65903 0 0 0 0 0 -0.02052 0.001 0.24952 0 0.16587 0.60303 -0.77834 0.24627 0.36877 -1.13313
CYS_14 -6.0477 0.70793 2.80622 -0.03908 0 0.01515 1.65887 -1.55327 -0.00277 -0.01389 -1.50312 -0.13632 0 0 -1.07275 0 0 -0.00102 0.06508 0.21516 0 -0.14033 0 3.6196 0.45173 0.319 -0.65151
SER_15 -2.53449 0.08624 3.00188 -0.02903 0.00012 0.05122 1.98211 -1.48228 -0.00384 -0.01285 -2.08344 -0.92513 0 0 0 0 0 -0.00785 0.00017 0.23183 0 -0.1042 0.60202 -0.77834 0.1976 0.24895 -1.55932
VAL_16 -5.49236 0.6661 0.88609 -0.34602 0.50506 0.07606 1.02903 -1.283 -0.00369 -0.04345 -1.26292 -0.77509 0 0 0 0 0 0.02557 0.58675 1.91863 0 -0.73856 0 1.9342 -0.02569 0.42639 -1.9169
ASP_17 -4.93004 0.50052 6.12611 -0.25913 0.05432 0.91623 3.26545 -2.90823 -0.004 -0.01514 -4.62752 -0.45059 0 0 -0.59969 0 0 -0.00765 0.01418 0 2.10414 -0.68855 0 -2.3716 -0.29012 0.55843 -3.61289
TRP_18 -5.28757 0.41771 3.3505 -1.41283 0.2342 0.56392 1.4883 -2.05237 -0 -0 -0.46609 -0.58699 0 0 0 0 0 -0.02684 0.02181 0 1.65767 -0.06671 0 1.6906 -0.31601 0.33132 -0.45939
GLY_19 -2.34483 0.25729 2.58956 -5e-05 0 0 0.65779 -1.30406 -0.00354 -0.04116 -0.10483 -0.39308 0 0 0 0 0 -0.07518 0 0 0 0.20564 0 0.83697 0.39381 0.19527 0.8696
LYS_20 -2.22005 0.07764 2.94449 -0.53723 0.18432 0.36843 0.84219 -1.28307 -0 -0 -1.55203 -0.06681 0 0 -0.59969 0 0 -0.05615 0.00681 1.83474 0 -0.06504 0 -1.5107 0.53119 0.33975 -0.76121
ALA_21 -4.14028 0.55598 4.15873 -0.02933 0.01677 0 2.73238 -2.28385 -0.0107 -0.07784 -3.17566 -0.48167 0 0 0 0 0 0.12302 0 0 0 -0.09922 0 1.8394 0.666 0.48827 0.28199
THR_22 -4.04323 0.66013 3.74882 -0.20854 0.21869 0.07854 1.86739 -2.0013 -3e-05 -0.00045 -1.473 -0.76358 0 0 0 0 0 -0.07339 2e-05 0.09708 0 0.11873 2.28628 -1.0874 1.25234 0.34327 1.02037
THR_23 -4.58662 0.54558 4.10609 -0.19888 0.13771 0.07462 2.40452 -2.18867 -0.02304 -0.15956 -2.49314 -0.71771 0 0 0 0 0 -0.05165 0.00327 0.14199 0 0.18725 2.29431 -1.0874 0.85422 0.33145 -0.42566
CYS_24 -8.6006 1.31601 4.171 -0.0879 0.00153 0.05419 2.0675 -2.52023 -0 -0 -2.21425 0.0119 0 0 0 0 0 -0.14211 0.02671 0.5504 0 0.32444 0 3.6196 0.29715 0.63719 -0.48748
ILE_25 -5.82334 0.63247 1.99338 -0.62105 0.54901 0.21833 1.15531 -1.54902 -0.00925 -0.05674 -1.10089 -0.32096 0 0 0 0 0 -0.01776 0.0505 2.87728 0 -0.00049 0 0.73287 0.00918 0.64079 -0.64037
ILE_26 -4.44467 0.4234 2.92421 -0.64441 0.4294 0.14671 1.21116 -1.71186 -0 -0 -0.18811 0.03712 0 0 0 0 0 0.01904 0.0108 0.88134 0 -0.43786 0 0.73287 0.19252 0.44911 0.03077
ASN_27 -5.80508 0.30994 5.37837 -0.28675 0.01572 0.44798 3.27353 -2.94655 -0.02236 -0.14095 -2.93048 -0.37787 0 0 -1.09744 0 0 -0.06777 0.00469 0 2.33209 -0.04755 0 -0.93687 0.07445 0.4167 -2.4062
ASN_28 -3.25765 0.12773 3.13334 -0.18327 0.03446 0.27783 1.63573 -1.77673 -0 -0 -0.77634 -0.33793 0 0 0 0 0 0.01142 0.00103 0 1.43233 0.19897 0 -0.93687 -0.08502 0.19174 -0.30924
GLY_29 -3.03133 0.24031 3.52928 -5e-05 0 0 1.99316 -1.88283 -0.00139 -0.02591 -1.21246 -0.4197 0 0 0 0 0 -0.05737 0 0 0 0.38546 0 0.83697 0.46051 0.10359 0.91824
ALA_30 -5.73996 0.4177 3.52819 -0.02127 0 0 2.59057 -2.62343 -0 -0 -1.86643 -0.35228 0 0 -1.09744 0 0 0.02603 0 0 0 -0.26163 0 1.8394 0.2809 0.18968 -3.08999
MET_31 -7.13345 0.46365 5.77193 -0.36298 0.09552 0.12191 2.82626 -3.20446 -0 -0 -3.09961 -0.08796 0 0 0 0 0 0.16457 0.02798 1.76135 0 0.02039 0 0.60916 -0.22608 0.43214 -1.81967
ALA_32 -5.04027 0.38434 4.96596 -0.02161 0 0 2.72216 -2.74922 -0 -0 -3.29301 -0.36837 0 0 0 0 0 0.12075 0 0 0 -0.25429 0 1.8394 -0.24346 0.41607 -1.52153
TRP_33 -10.3138 1.27688 7.45474 -1.4241 0.07056 0.6542 3.23998 -4.17347 -0.02001 -0.15788 -2.88685 -0.30052 0 0 0 0 0 0.04587 0.38681 0 2.03751 -0.33686 0 1.6906 -0.15158 0.46419 -2.44377
ALA_34 -5.78345 0.37247 3.90692 -0.02162 0 0 2.34765 -2.61024 -0 -0 -2.32655 -0.36675 0 0 0 0 0 0.02858 0 0 0 -0.32712 0 1.8394 -0.20421 0.46401 -2.68091
THR_35 -5.33535 0.40358 5.94793 -0.19866 0.11162 0.07064 3.07464 -2.8908 -0 -0 -3.29949 -0.08549 0 0 0 0 0 0.05386 0.002 0.0718 0 -0.01435 2.30189 -1.0874 -0.22867 0.27315 -0.8291
GLY_36 -5.90477 0.68115 6.28735 -5e-05 0 0 3.67247 -3.31382 -0.02633 -0.17738 -3.4299 -0.4396 0 0 0 0 0 -0.10865 0 0 0 0.20015 0 0.83697 0.67366 0.25548 -0.79327
GLY_37 -5.20316 0.51815 5.58878 -5e-05 0 0 2.23836 -2.9422 -0 -0 -1.688 -0.41635 0 0 0 0 0 -0.12316 0 0 0 0.20344 0 0.83697 1.2491 0.25935 0.52124
HIS_D_38 -6.54786 0.53764 6.30334 -0.40598 0.11783 0.38832 2.89915 -3.18804 -0.02099 -0.15193 -2.43554 -0.53072 0 0 -1.59816 0 0 0.01452 0.08371 0 2.78185 0.18865 0 -0.45461 0.49176 0.32041 -1.20664
GLN_39 -5.04456 0.34356 4.74354 -0.29232 0.05756 0.23673 2.43248 -2.33771 -0.00809 -0.10188 -1.58606 -0.56722 0 0 0 -0.46442 0 0.04137 0.00532 0 2.86945 -0.139 0 -0.18838 -0.38927 0.5212 0.13229
GLY_40 -2.95369 0.16023 3.28052 -6e-05 0 0 1.56001 -1.70942 -0 -0 -1.93475 -0.40928 0 0 0 0 0 -0.16807 0 0 0 -1.44993 0 0.83697 -0.74001 0.6075 -2.91998
ASN_41 -6.14395 0.73025 6.13254 -0.35208 0.13254 0.7226 3.25002 -2.97839 -0.02204 -0.17089 -2.60779 -0.70789 0 0 -0.72524 -0.46442 0 -0.02941 0.00694 0 1.82637 -0.56463 0 -0.93687 -0.48599 0.78836 -2.59999
HIS_D_42 -5.86105 0.19011 3.56591 -0.42267 0.02002 0.54031 0.73844 -2.1045 -0 -0 -0.16741 -0.39702 0 0 0 0 0 0.07182 0.00861 0 1.65582 -0.35116 0 -0.45461 -0.10311 0.71648 -2.35401
LYS_43 -1.79923 0.23442 2.01684 -0.31178 0.03887 0.17346 0.91716 -0.91083 -0 -0 -0.50259 -0.26037 0 0 -0.72524 0 0 -0.05154 0.00034 1.81525 0 -0.00054 0 -1.5107 -0.17532 0.24738 -0.80443
CYS:CtermProteinFull_44 -4.69371 0.52051 3.98544 -0.11943 0.00589 0.13117 1.1634 -1.88156 -0.06001 -0.40526 -1.02492 -0.74469 0 0 0 0 0 0 0.00745 0.58251 0 0 0 3.6196 -0.0768 0.42367 1.43326
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 695943 DOMAINID 686676 MODEL 5 PA1-5
MODEL     5
REMARK    Rerank model02.pdb to model05.pdb score: 14.606
REMARK    CLUSTER 0002 t000_.out.valid.rescored.best_scoring.binary cluster_size: 15 cluster_threshold: 2.804607
REMARK    SCORE          fa_sol:         134.389
REMARK    SCORE     hbond_bb_sc:          -2.801
REMARK    SCORE       dslf_fa13:          -1.110
REMARK    SCORE          fa_rep:          21.911
REMARK    SCORE fa_intra_sol_xover4:           6.952
REMARK    SCORE             ref:          33.249
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE          fa_dun:          38.626
REMARK    SCORE     total_score:         -26.619
REMARK    SCORE     hbond_sr_bb:         -17.917
REMARK    SCORE     rama_prepro:           5.450
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE           omega:           3.157
REMARK    SCORE     hbond_lr_bb:         -11.059
REMARK    SCORE     cart_bonded:          45.645
REMARK    SCORE    fa_intra_rep:           0.347
REMARK    SCORE        hbond_sc:          -0.708
REMARK    SCORE         fa_elec:         -63.850
REMARK    SCORE            time:           0.000
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE         p_aa_pp:          -8.973
REMARK    SCORE           score:         -26.619
REMARK    SCORE     description: cluster0002_0001
REMARK    SCORE          fa_atr:        -203.729
REMARK    SCORE     lk_ball_wtd:          -6.200
SSBOND     CYS A    9    CYS A   14                                       2.03  
ATOM      1  N   LYS A   1      -0.291  -0.182   0.622  1.00  2.210          N  
ATOM      2  CA  LYS A   1       1.087  -0.206   0.141  1.00  2.000          C  
ATOM      3  C   LYS A   1       1.601   1.218  -0.006  1.00  1.960          C  
ATOM      4  O   LYS A   1       0.853   2.118  -0.396  1.00  2.220          O  
ATOM      5  CB  LYS A   1       1.194  -0.935  -1.211  1.00  2.880          C  
ATOM      6  CG  LYS A   1       0.859  -2.441  -1.183  1.00  2.880          C  
ATOM      7  CD  LYS A   1       1.046  -3.082  -2.560  1.00  2.880          C  
ATOM      8  CE  LYS A   1       0.724  -4.575  -2.534  1.00  2.880          C  
ATOM      9  NZ  LYS A   1       0.887  -5.207  -3.878  1.00  2.880          N  
ATOM     10 1H   LYS A   1      -0.395  -0.830   1.396  1.00  2.650          H  
ATOM     11 2H   LYS A   1      -0.502   0.741   0.984  1.00  2.650          H  
ATOM     12 3H   LYS A   1      -0.938  -0.413  -0.115  1.00  2.650          H  
ATOM     13  HA  LYS A   1       1.709  -0.716   0.878  1.00  2.400          H  
ATOM     14 1HB  LYS A   1       0.534  -0.455  -1.932  1.00  3.460          H  
ATOM     15 2HB  LYS A   1       2.216  -0.834  -1.586  1.00  3.460          H  
ATOM     16 1HG  LYS A   1       1.515  -2.936  -0.474  1.00  3.460          H  
ATOM     17 2HG  LYS A   1      -0.171  -2.589  -0.859  1.00  3.460          H  
ATOM     18 1HD  LYS A   1       0.393  -2.592  -3.284  1.00  3.460          H  
ATOM     19 2HD  LYS A   1       2.080  -2.951  -2.883  1.00  3.460          H  
ATOM     20 1HE  LYS A   1       1.391  -5.068  -1.824  1.00  3.460          H  
ATOM     21 2HE  LYS A   1      -0.305  -4.712  -2.202  1.00  3.460          H  
ATOM     22 1HZ  LYS A   1       0.666  -6.192  -3.818  1.00  3.460          H  
ATOM     23 2HZ  LYS A   1       0.264  -4.764  -4.539  1.00  3.460          H  
ATOM     24 3HZ  LYS A   1       1.841  -5.098  -4.193  1.00  3.460          H  
ATOM     25  N   TYR A   2       2.888   1.424   0.252  1.00  2.180          N  
ATOM     26  CA  TYR A   2       3.405   2.790   0.158  1.00  2.090          C  
ATOM     27  C   TYR A   2       4.885   2.812  -0.205  1.00  1.920          C  
ATOM     28  O   TYR A   2       5.513   1.756  -0.331  1.00  2.660          O  
ATOM     29  CB  TYR A   2       3.175   3.436   1.532  1.00  2.960          C  
ATOM     30  CG  TYR A   2       3.385   4.919   1.710  1.00  2.960          C  
ATOM     31  CD1 TYR A   2       2.418   5.816   1.298  1.00  2.960          C  
ATOM     32  CD2 TYR A   2       4.522   5.377   2.335  1.00  2.960          C  
ATOM     33  CE1 TYR A   2       2.602   7.167   1.505  1.00  2.960          C  
ATOM     34  CE2 TYR A   2       4.709   6.721   2.538  1.00  2.960          C  
ATOM     35  CZ  TYR A   2       3.757   7.614   2.130  1.00  2.960          C  
ATOM     36  OH  TYR A   2       3.944   8.961   2.340  1.00  2.960          O  
ATOM     37  H   TYR A   2       3.483   0.634   0.527  1.00  2.620          H  
ATOM     38  HA  TYR A   2       2.855   3.330  -0.613  1.00  2.510          H  
ATOM     39 1HB  TYR A   2       2.159   3.203   1.873  1.00  3.550          H  
ATOM     40 2HB  TYR A   2       3.851   2.949   2.213  1.00  3.550          H  
ATOM     41  HD1 TYR A   2       1.508   5.451   0.817  1.00  3.550          H  
ATOM     42  HD2 TYR A   2       5.266   4.664   2.662  1.00  3.550          H  
ATOM     43  HE1 TYR A   2       1.842   7.877   1.185  1.00  3.550          H  
ATOM     44  HE2 TYR A   2       5.607   7.081   3.027  1.00  3.550          H  
ATOM     45  HH  TYR A   2       4.806   9.108   2.737  1.00  3.550          H  
ATOM     46  N   TYR A   3       5.438   4.015  -0.358  1.00  1.520          N  
ATOM     47  CA  TYR A   3       6.843   4.194  -0.688  1.00  1.770          C  
ATOM     48  C   TYR A   3       7.289   5.652  -0.601  1.00  1.550          C  
ATOM     49  O   TYR A   3       6.473   6.575  -0.668  1.00  1.930          O  
ATOM     50  CB  TYR A   3       7.136   3.658  -2.100  1.00  2.380          C  
ATOM     51  CG  TYR A   3       6.311   4.300  -3.189  1.00  2.380          C  
ATOM     52  CD1 TYR A   3       6.758   5.454  -3.817  1.00  2.380          C  
ATOM     53  CD2 TYR A   3       5.099   3.732  -3.565  1.00  2.380          C  
ATOM     54  CE1 TYR A   3       6.000   6.038  -4.805  1.00  2.380          C  
ATOM     55  CE2 TYR A   3       4.344   4.317  -4.553  1.00  2.380          C  
ATOM     56  CZ  TYR A   3       4.788   5.467  -5.172  1.00  2.380          C  
ATOM     57  OH  TYR A   3       4.028   6.051  -6.159  1.00  2.380          O  
ATOM     58  H   TYR A   3       4.864   4.841  -0.246  1.00  1.820          H  
ATOM     59  HA  TYR A   3       7.428   3.632   0.035  1.00  2.120          H  
ATOM     60 1HB  TYR A   3       8.190   3.819  -2.332  1.00  2.850          H  
ATOM     61 2HB  TYR A   3       6.970   2.593  -2.137  1.00  2.850          H  
ATOM     62  HD1 TYR A   3       7.708   5.900  -3.527  1.00  2.850          H  
ATOM     63  HD2 TYR A   3       4.745   2.823  -3.079  1.00  2.850          H  
ATOM     64  HE1 TYR A   3       6.350   6.945  -5.294  1.00  2.850          H  
ATOM     65  HE2 TYR A   3       3.393   3.874  -4.847  1.00  2.850          H  
ATOM     66  HH  TYR A   3       4.471   6.841  -6.479  1.00  2.850          H  
ATOM     67  N   GLY A   4       8.603   5.843  -0.571  1.00  1.080          N  
ATOM     68  CA  GLY A   4       9.219   7.163  -0.703  1.00  1.130          C  
ATOM     69  C   GLY A   4      10.566   7.283   0.000  1.00  0.560          C  
ATOM     70  O   GLY A   4      10.833   6.606   0.981  1.00  1.120          O  
ATOM     71  H   GLY A   4       9.186   5.009  -0.468  1.00  1.300          H  
ATOM     72 1HA  GLY A   4       9.345   7.388  -1.763  1.00  1.360          H  
ATOM     73 2HA  GLY A   4       8.536   7.915  -0.307  1.00  1.360          H  
ATOM     74  N   ASN A   5      11.413   8.180  -0.492  1.00  0.840          N  
ATOM     75  CA  ASN A   5      12.714   8.488   0.109  1.00  0.700          C  
ATOM     76  C   ASN A   5      13.624   7.279   0.367  1.00  1.180          C  
ATOM     77  O   ASN A   5      14.348   7.258   1.354  1.00  1.680          O  
ATOM     78  CB  ASN A   5      12.504   9.236   1.410  1.00  1.040          C  
ATOM     79  CG  ASN A   5      11.790  10.520   1.223  1.00  1.040          C  
ATOM     80  OD1 ASN A   5      12.009  11.242   0.241  1.00  1.040          O  
ATOM     81  ND2 ASN A   5      10.922  10.836   2.150  1.00  1.040          N  
ATOM     82  H   ASN A   5      11.134   8.704  -1.313  1.00  1.010          H  
ATOM     83  HA  ASN A   5      13.250   9.143  -0.579  1.00  0.840          H  
ATOM     84 1HB  ASN A   5      11.958   8.615   2.119  1.00  1.240          H  
ATOM     85 2HB  ASN A   5      13.470   9.457   1.846  1.00  1.240          H  
ATOM     86 1HD2 ASN A   5      10.406  11.691   2.084  1.00  1.240          H  
ATOM     87 2HD2 ASN A   5      10.776  10.222   2.926  1.00  1.240          H  
ATOM     88  N   GLY A   6      13.663   6.314  -0.548  1.00  1.350          N  
ATOM     89  CA  GLY A   6      14.524   5.140  -0.376  1.00  1.960          C  
ATOM     90  C   GLY A   6      13.831   3.890   0.177  1.00  1.820          C  
ATOM     91  O   GLY A   6      14.420   2.807   0.157  1.00  2.350          O  
ATOM     92  H   GLY A   6      13.075   6.382  -1.366  1.00  1.620          H  
ATOM     93 1HA  GLY A   6      14.980   4.898  -1.336  1.00  2.350          H  
ATOM     94 2HA  GLY A   6      15.341   5.400   0.287  1.00  2.350          H  
ATOM     95  N   VAL A   7      12.590   4.008   0.661  1.00  1.190          N  
ATOM     96  CA  VAL A   7      11.857   2.841   1.196  1.00  1.140          C  
ATOM     97  C   VAL A   7      10.601   2.467   0.418  1.00  0.720          C  
ATOM     98  O   VAL A   7       9.794   3.317   0.040  1.00  0.520          O  
ATOM     99  CB  VAL A   7      11.478   3.031   2.695  1.00  1.620          C  
ATOM    100  CG1 VAL A   7      10.788   4.311   2.891  1.00  1.620          C  
ATOM    101  CG2 VAL A   7      10.494   1.897   3.163  1.00  1.620          C  
ATOM    102  H   VAL A   7      12.149   4.933   0.682  1.00  1.430          H  
ATOM    103  HA  VAL A   7      12.523   1.983   1.151  1.00  1.370          H  
ATOM    104  HB  VAL A   7      12.383   3.018   3.302  1.00  1.940          H  
ATOM    105 1HG1 VAL A   7      10.529   4.433   3.941  1.00  1.940          H  
ATOM    106 2HG1 VAL A   7      11.444   5.085   2.599  1.00  1.940          H  
ATOM    107 3HG1 VAL A   7       9.899   4.363   2.283  1.00  1.940          H  
ATOM    108 1HG2 VAL A   7      10.240   2.062   4.197  1.00  1.940          H  
ATOM    109 2HG2 VAL A   7       9.568   1.913   2.591  1.00  1.940          H  
ATOM    110 3HG2 VAL A   7      10.969   0.918   3.049  1.00  1.940          H  
ATOM    111  N   THR A   8      10.454   1.168   0.170  1.00  0.870          N  
ATOM    112  CA  THR A   8       9.256   0.631  -0.479  1.00  0.660          C  
ATOM    113  C   THR A   8       8.640  -0.465   0.394  1.00  0.450          C  
ATOM    114  O   THR A   8       9.343  -1.390   0.822  1.00  0.770          O  
ATOM    115  CB  THR A   8       9.566   0.048  -1.880  1.00  1.010          C  
ATOM    116  OG1 THR A   8      10.112   1.070  -2.720  1.00  1.010          O  
ATOM    117  CG2 THR A   8       8.278  -0.475  -2.527  1.00  1.010          C  
ATOM    118  H   THR A   8      11.199   0.539   0.492  1.00  1.040          H  
ATOM    119  HA  THR A   8       8.520   1.424  -0.583  1.00  0.790          H  
ATOM    120  HB  THR A   8      10.285  -0.767  -1.789  1.00  1.210          H  
ATOM    121  HG1 THR A   8      11.000   1.278  -2.413  1.00  1.210          H  
ATOM    122 1HG2 THR A   8       8.511  -0.871  -3.512  1.00  1.210          H  
ATOM    123 2HG2 THR A   8       7.841  -1.267  -1.922  1.00  1.210          H  
ATOM    124 3HG2 THR A   8       7.563   0.339  -2.625  1.00  1.210          H  
ATOM    125  N   CYS A   9       7.325  -0.380   0.660  1.00  0.440          N  
ATOM    126  CA  CYS A   9       6.688  -1.408   1.480  1.00  0.780          C  
ATOM    127  C   CYS A   9       5.437  -2.028   0.876  1.00  0.590          C  
ATOM    128  O   CYS A   9       4.395  -1.391   0.682  1.00  0.610          O  
ATOM    129  CB  CYS A   9       6.331  -0.861   2.858  1.00  0.960          C  
ATOM    130  SG  CYS A   9       7.746  -0.485   3.888  1.00  0.960          S  
ATOM    131  H   CYS A   9       6.770   0.391   0.289  1.00  0.530          H  
ATOM    132  HA  CYS A   9       7.407  -2.210   1.623  1.00  0.940          H  
ATOM    133 1HB  CYS A   9       5.745   0.053   2.747  1.00  1.150          H  
ATOM    134 2HB  CYS A   9       5.706  -1.587   3.386  1.00  1.150          H  
ATOM    135  N   GLY A  10       5.534  -3.342   0.726  1.00  0.840          N  
ATOM    136  CA  GLY A  10       4.498  -4.228   0.247  1.00  0.780          C  
ATOM    137  C   GLY A  10       3.677  -4.616   1.459  1.00  1.020          C  
ATOM    138  O   GLY A  10       3.741  -5.754   1.936  1.00  1.440          O  
ATOM    139  H   GLY A  10       6.429  -3.763   0.981  1.00  1.010          H  
ATOM    140 1HA  GLY A  10       3.881  -3.726  -0.497  1.00  0.940          H  
ATOM    141 2HA  GLY A  10       4.943  -5.111  -0.211  1.00  0.940          H  
ATOM    142  N   LYS A  11       2.936  -3.657   1.992  1.00  1.540          N  
ATOM    143  CA  LYS A  11       2.176  -3.901   3.210  1.00  1.780          C  
ATOM    144  C   LYS A  11       3.174  -4.256   4.308  1.00  2.130          C  
ATOM    145  O   LYS A  11       3.787  -3.375   4.902  1.00  2.640          O  
ATOM    146  CB  LYS A  11       1.119  -5.013   3.036  1.00  2.400          C  
ATOM    147  CG  LYS A  11       0.010  -4.698   2.056  1.00  2.400          C  
ATOM    148  CD  LYS A  11      -0.995  -5.848   1.977  1.00  2.400          C  
ATOM    149  CE  LYS A  11      -2.110  -5.559   0.979  1.00  2.400          C  
ATOM    150  NZ  LYS A  11      -3.074  -6.694   0.875  1.00  2.400          N  
ATOM    151  H   LYS A  11       3.005  -2.736   1.562  1.00  1.850          H  
ATOM    152  HA  LYS A  11       1.665  -2.980   3.503  1.00  2.140          H  
ATOM    153 1HB  LYS A  11       1.551  -5.946   2.718  1.00  2.880          H  
ATOM    154 2HB  LYS A  11       0.643  -5.193   4.002  1.00  2.880          H  
ATOM    155 1HG  LYS A  11      -0.499  -3.783   2.370  1.00  2.880          H  
ATOM    156 2HG  LYS A  11       0.443  -4.535   1.074  1.00  2.880          H  
ATOM    157 1HD  LYS A  11      -0.477  -6.763   1.681  1.00  2.880          H  
ATOM    158 2HD  LYS A  11      -1.437  -6.004   2.960  1.00  2.880          H  
ATOM    159 1HE  LYS A  11      -2.647  -4.666   1.294  1.00  2.880          H  
ATOM    160 2HE  LYS A  11      -1.669  -5.378  -0.002  1.00  2.880          H  
ATOM    161 1HZ  LYS A  11      -3.795  -6.465   0.205  1.00  2.880          H  
ATOM    162 2HZ  LYS A  11      -2.586  -7.527   0.572  1.00  2.880          H  
ATOM    163 3HZ  LYS A  11      -3.496  -6.863   1.777  1.00  2.880          H  
ATOM    164  N   HIS A  12       3.300  -5.542   4.627  1.00  2.110          N  
ATOM    165  CA  HIS A  12       4.204  -5.948   5.703  1.00  2.500          C  
ATOM    166  C   HIS A  12       5.601  -6.369   5.233  1.00  2.000          C  
ATOM    167  O   HIS A  12       6.443  -6.768   6.043  1.00  1.830          O  
ATOM    168  CB  HIS A  12       3.566  -7.061   6.528  1.00  3.340          C  
ATOM    169  CG  HIS A  12       2.412  -6.569   7.323  1.00  3.340          C  
ATOM    170  ND1 HIS A  12       2.588  -5.806   8.449  1.00  3.340          N  
ATOM    171  CD2 HIS A  12       1.076  -6.698   7.158  1.00  3.340          C  
ATOM    172  CE1 HIS A  12       1.418  -5.487   8.956  1.00  3.340          C  
ATOM    173  NE2 HIS A  12       0.473  -6.017   8.189  1.00  3.340          N  
ATOM    174  H   HIS A  12       2.808  -6.230   4.075  1.00  2.530          H  
ATOM    175  HA  HIS A  12       4.331  -5.107   6.376  1.00  3.000          H  
ATOM    176 1HB  HIS A  12       3.229  -7.861   5.872  1.00  4.010          H  
ATOM    177 2HB  HIS A  12       4.303  -7.474   7.217  1.00  4.010          H  
ATOM    178  HD1 HIS A  12       3.491  -5.654   8.908  1.00  4.010          H  
ATOM    179  HD2 HIS A  12       0.469  -7.204   6.407  1.00  4.010          H  
ATOM    180  HE1 HIS A  12       1.357  -4.879   9.862  1.00  4.010          H  
ATOM    181  N   SER A  13       5.861  -6.272   3.934  1.00  1.880          N  
ATOM    182  CA  SER A  13       7.181  -6.615   3.413  1.00  1.670          C  
ATOM    183  C   SER A  13       7.927  -5.371   2.940  1.00  1.510          C  
ATOM    184  O   SER A  13       7.633  -4.793   1.885  1.00  1.630          O  
ATOM    185  CB  SER A  13       7.052  -7.605   2.277  1.00  2.420          C  
ATOM    186  OG  SER A  13       8.308  -7.900   1.726  1.00  2.420          O  
ATOM    187  H   SER A  13       5.116  -5.985   3.299  1.00  2.260          H  
ATOM    188  HA  SER A  13       7.764  -7.079   4.209  1.00  2.000          H  
ATOM    189 1HB  SER A  13       6.589  -8.520   2.646  1.00  2.910          H  
ATOM    190 2HB  SER A  13       6.395  -7.193   1.508  1.00  2.910          H  
ATOM    191  HG  SER A  13       8.148  -8.544   1.032  1.00  2.910          H  
ATOM    192  N   CYS A  14       8.905  -4.944   3.733  1.00  1.280          N  
ATOM    193  CA  CYS A  14       9.621  -3.709   3.434  1.00  1.130          C  
ATOM    194  C   CYS A  14      11.079  -3.885   3.105  1.00  1.340          C  
ATOM    195  O   CYS A  14      11.761  -4.759   3.651  1.00  1.670          O  
ATOM    196  CB  CYS A  14       9.559  -2.739   4.607  1.00  1.640          C  
ATOM    197  SG  CYS A  14       7.938  -2.148   5.032  1.00  1.640          S  
ATOM    198  H   CYS A  14       9.129  -5.471   4.568  1.00  1.540          H  
ATOM    199  HA  CYS A  14       9.154  -3.243   2.575  1.00  1.360          H  
ATOM    200 1HB  CYS A  14       9.988  -3.206   5.493  1.00  1.970          H  
ATOM    201 2HB  CYS A  14      10.172  -1.876   4.367  1.00  1.970          H  
ATOM    202  N   SER A  15      11.578  -2.965   2.290  1.00  1.290          N  
ATOM    203  CA  SER A  15      12.996  -2.885   1.991  1.00  1.700          C  
ATOM    204  C   SER A  15      13.417  -1.435   1.796  1.00  1.460          C  
ATOM    205  O   SER A  15      12.629  -0.570   1.389  1.00  1.460          O  
ATOM    206  CB  SER A  15      13.320  -3.690   0.746  1.00  2.220          C  
ATOM    207  OG  SER A  15      12.710  -3.134  -0.390  1.00  2.220          O  
ATOM    208  H   SER A  15      10.926  -2.317   1.835  1.00  1.550          H  
ATOM    209  HA  SER A  15      13.555  -3.295   2.833  1.00  2.040          H  
ATOM    210 1HB  SER A  15      14.400  -3.722   0.603  1.00  2.660          H  
ATOM    211 2HB  SER A  15      12.972  -4.714   0.883  1.00  2.660          H  
ATOM    212  HG  SER A  15      12.947  -3.705  -1.123  1.00  2.660          H  
ATOM    213  N   VAL A  16      14.684  -1.169   2.082  1.00  1.300          N  
ATOM    214  CA  VAL A  16      15.228   0.170   1.935  1.00  1.120          C  
ATOM    215  C   VAL A  16      16.544   0.103   1.177  1.00  1.060          C  
ATOM    216  O   VAL A  16      17.276  -0.885   1.277  1.00  1.060          O  
ATOM    217  CB  VAL A  16      15.439   0.819   3.343  1.00  1.640          C  
ATOM    218  CG1 VAL A  16      16.563   0.104   4.087  1.00  1.640          C  
ATOM    219  CG2 VAL A  16      15.718   2.336   3.250  1.00  1.640          C  
ATOM    220  H   VAL A  16      15.275  -1.922   2.400  1.00  1.560          H  
ATOM    221  HA  VAL A  16      14.528   0.768   1.366  1.00  1.340          H  
ATOM    222  HB  VAL A  16      14.526   0.676   3.922  1.00  1.970          H  
ATOM    223 1HG1 VAL A  16      16.681   0.531   5.070  1.00  1.970          H  
ATOM    224 2HG1 VAL A  16      16.331  -0.951   4.182  1.00  1.970          H  
ATOM    225 3HG1 VAL A  16      17.505   0.219   3.551  1.00  1.970          H  
ATOM    226 1HG2 VAL A  16      15.821   2.737   4.254  1.00  1.970          H  
ATOM    227 2HG2 VAL A  16      16.633   2.522   2.706  1.00  1.970          H  
ATOM    228 3HG2 VAL A  16      14.892   2.833   2.753  1.00  1.970          H  
ATOM    229  N   ASP A  17      16.873   1.169   0.463  1.00  1.160          N  
ATOM    230  CA  ASP A  17      18.181   1.262  -0.164  1.00  1.250          C  
ATOM    231  C   ASP A  17      19.214   1.465   0.936  1.00  1.150          C  
ATOM    232  O   ASP A  17      19.274   2.521   1.544  1.00  1.210          O  
ATOM    233  CB  ASP A  17      18.242   2.450  -1.136  1.00  1.710          C  
ATOM    234  CG  ASP A  17      19.598   2.574  -1.883  1.00  1.710          C  
ATOM    235  OD1 ASP A  17      20.559   1.939  -1.462  1.00  1.710          O  
ATOM    236  OD2 ASP A  17      19.682   3.341  -2.843  1.00  1.710          O  
ATOM    237  H   ASP A  17      16.182   1.918   0.355  1.00  1.390          H  
ATOM    238  HA  ASP A  17      18.394   0.335  -0.693  1.00  1.500          H  
ATOM    239 1HB  ASP A  17      17.443   2.350  -1.875  1.00  2.060          H  
ATOM    240 2HB  ASP A  17      18.061   3.374  -0.586  1.00  2.060          H  
ATOM    241  N   TRP A  18      20.035   0.459   1.212  1.00  1.270          N  
ATOM    242  CA  TRP A  18      20.998   0.543   2.316  1.00  1.220          C  
ATOM    243  C   TRP A  18      22.307   1.249   1.961  1.00  0.930          C  
ATOM    244  O   TRP A  18      23.218   1.327   2.786  1.00  1.010          O  
ATOM    245  CB  TRP A  18      21.353  -0.848   2.841  1.00  1.730          C  
ATOM    246  CG  TRP A  18      20.292  -1.509   3.639  1.00  1.730          C  
ATOM    247  CD1 TRP A  18      19.510  -2.566   3.289  1.00  1.730          C  
ATOM    248  CD2 TRP A  18      19.905  -1.147   4.974  1.00  1.730          C  
ATOM    249  NE1 TRP A  18      18.673  -2.892   4.327  1.00  1.730          N  
ATOM    250  CE2 TRP A  18      18.904  -2.030   5.364  1.00  1.730          C  
ATOM    251  CE3 TRP A  18      20.329  -0.160   5.857  1.00  1.730          C  
ATOM    252  CZ2 TRP A  18      18.319  -1.957   6.608  1.00  1.730          C  
ATOM    253  CZ3 TRP A  18      19.746  -0.081   7.099  1.00  1.730          C  
ATOM    254  CH2 TRP A  18      18.771  -0.958   7.466  1.00  1.730          C  
ATOM    255  H   TRP A  18      19.954  -0.392   0.671  1.00  1.520          H  
ATOM    256  HA  TRP A  18      20.523   1.103   3.122  1.00  1.460          H  
ATOM    257 1HB  TRP A  18      21.589  -1.495   1.999  1.00  2.070          H  
ATOM    258 2HB  TRP A  18      22.245  -0.784   3.459  1.00  2.070          H  
ATOM    259  HD1 TRP A  18      19.545  -3.086   2.331  1.00  2.070          H  
ATOM    260  HE1 TRP A  18      17.998  -3.642   4.325  1.00  2.070          H  
ATOM    261  HE3 TRP A  18      21.109   0.528   5.567  1.00  2.070          H  
ATOM    262  HZ2 TRP A  18      17.536  -2.646   6.927  1.00  2.070          H  
ATOM    263  HZ3 TRP A  18      20.087   0.697   7.784  1.00  2.070          H  
ATOM    264  HH2 TRP A  18      18.341  -0.877   8.453  1.00  2.070          H  
ATOM    265  N   GLY A  19      22.424   1.744   0.734  1.00  1.010          N  
ATOM    266  CA  GLY A  19      23.654   2.379   0.271  1.00  1.240          C  
ATOM    267  C   GLY A  19      23.778   3.878   0.566  1.00  1.410          C  
ATOM    268  O   GLY A  19      24.710   4.524   0.080  1.00  2.010          O  
ATOM    269  H   GLY A  19      21.630   1.683   0.074  1.00  1.210          H  
ATOM    270 1HA  GLY A  19      23.725   2.230  -0.806  1.00  1.490          H  
ATOM    271 2HA  GLY A  19      24.504   1.858   0.709  1.00  1.490          H  
ATOM    272  N   LYS A  20      22.841   4.450   1.323  1.00  1.230          N  
ATOM    273  CA  LYS A  20      22.860   5.886   1.575  1.00  1.710          C  
ATOM    274  C   LYS A  20      22.599   6.221   3.047  1.00  1.980          C  
ATOM    275  O   LYS A  20      21.712   5.650   3.685  1.00  1.620          O  
ATOM    276  CB  LYS A  20      21.794   6.555   0.700  1.00  2.200          C  
ATOM    277  CG  LYS A  20      21.985   6.386  -0.820  1.00  2.200          C  
ATOM    278  CD  LYS A  20      20.821   7.008  -1.595  1.00  2.200          C  
ATOM    279  CE  LYS A  20      20.969   6.842  -3.117  1.00  2.200          C  
ATOM    280  NZ  LYS A  20      20.874   5.391  -3.571  1.00  2.200          N  
ATOM    281  H   LYS A  20      22.109   3.873   1.720  1.00  1.480          H  
ATOM    282  HA  LYS A  20      23.844   6.275   1.313  1.00  2.050          H  
ATOM    283 1HB  LYS A  20      20.833   6.136   0.937  1.00  2.640          H  
ATOM    284 2HB  LYS A  20      21.754   7.620   0.921  1.00  2.640          H  
ATOM    285 1HG  LYS A  20      22.928   6.840  -1.129  1.00  2.640          H  
ATOM    286 2HG  LYS A  20      22.017   5.328  -1.057  1.00  2.640          H  
ATOM    287 1HD  LYS A  20      19.895   6.519  -1.287  1.00  2.640          H  
ATOM    288 2HD  LYS A  20      20.748   8.067  -1.361  1.00  2.640          H  
ATOM    289 1HE  LYS A  20      20.178   7.410  -3.605  1.00  2.640          H  
ATOM    290 2HE  LYS A  20      21.933   7.244  -3.425  1.00  2.640          H  
ATOM    291 1HZ  LYS A  20      20.967   5.335  -4.565  1.00  2.640          H  
ATOM    292 2HZ  LYS A  20      21.596   4.829  -3.150  1.00  2.640          H  
ATOM    293 3HZ  LYS A  20      19.971   4.965  -3.307  1.00  2.640          H  
ATOM    294  N   ALA A  21      23.355   7.182   3.590  1.00  2.760          N  
ATOM    295  CA  ALA A  21      23.164   7.589   4.987  1.00  3.190          C  
ATOM    296  C   ALA A  21      21.759   8.117   5.243  1.00  2.920          C  
ATOM    297  O   ALA A  21      21.204   7.916   6.320  1.00  2.940          O  
ATOM    298  CB  ALA A  21      24.180   8.644   5.374  1.00  4.290          C  
ATOM    299  H   ALA A  21      24.078   7.620   3.032  1.00  3.310          H  
ATOM    300  HA  ALA A  21      23.310   6.707   5.615  1.00  3.830          H  
ATOM    301 1HB  ALA A  21      24.042   8.909   6.423  1.00  5.150          H  
ATOM    302 2HB  ALA A  21      25.186   8.254   5.227  1.00  5.150          H  
ATOM    303 3HB  ALA A  21      24.040   9.531   4.758  1.00  5.150          H  
ATOM    304  N   THR A  22      21.206   8.819   4.251  1.00  2.920          N  
ATOM    305  CA  THR A  22      19.878   9.406   4.331  1.00  3.230          C  
ATOM    306  C   THR A  22      18.792   8.357   4.434  1.00  2.530          C  
ATOM    307  O   THR A  22      17.825   8.505   5.180  1.00  2.730          O  
ATOM    308  CB  THR A  22      19.581  10.289   3.093  1.00  4.400          C  
ATOM    309  OG1 THR A  22      20.523  11.371   3.033  1.00  4.400          O  
ATOM    310  CG2 THR A  22      18.154  10.865   3.182  1.00  4.400          C  
ATOM    311  H   THR A  22      21.740   8.983   3.413  1.00  3.500          H  
ATOM    312  HA  THR A  22      19.833  10.029   5.221  1.00  3.880          H  
ATOM    313  HB  THR A  22      19.672   9.688   2.187  1.00  5.280          H  
ATOM    314  HG1 THR A  22      20.416  11.847   2.202  1.00  5.280          H  
ATOM    315 1HG2 THR A  22      17.967  11.488   2.309  1.00  5.280          H  
ATOM    316 2HG2 THR A  22      17.411  10.068   3.207  1.00  5.280          H  
ATOM    317 3HG2 THR A  22      18.064  11.469   4.083  1.00  5.280          H  
ATOM    318  N   THR A  23      18.903   7.303   3.640  1.00  1.980          N  
ATOM    319  CA  THR A  23      17.841   6.323   3.586  1.00  1.900          C  
ATOM    320  C   THR A  23      17.903   5.372   4.771  1.00  1.690          C  
ATOM    321  O   THR A  23      16.879   4.860   5.228  1.00  1.340          O  
ATOM    322  CB  THR A  23      17.922   5.544   2.300  1.00  2.690          C  
ATOM    323  OG1 THR A  23      19.153   4.906   2.285  1.00  2.690          O  
ATOM    324  CG2 THR A  23      17.828   6.470   1.107  1.00  2.690          C  
ATOM    325  H   THR A  23      19.727   7.168   3.069  1.00  2.380          H  
ATOM    326  HA  THR A  23      16.895   6.853   3.596  1.00  2.280          H  
ATOM    327  HB  THR A  23      17.126   4.810   2.266  1.00  3.230          H  
ATOM    328  HG1 THR A  23      19.106   4.133   1.714  1.00  3.230          H  
ATOM    329 1HG2 THR A  23      17.910   5.883   0.192  1.00  3.230          H  
ATOM    330 2HG2 THR A  23      16.874   6.989   1.128  1.00  3.230          H  
ATOM    331 3HG2 THR A  23      18.629   7.200   1.140  1.00  3.230          H  
ATOM    332  N   CYS A  24      19.066   5.282   5.407  1.00  2.110          N  
ATOM    333  CA  CYS A  24      19.211   4.443   6.588  1.00  2.360          C  
ATOM    334  C   CYS A  24      18.477   5.046   7.811  1.00  2.060          C  
ATOM    335  O   CYS A  24      18.405   4.422   8.869  1.00  2.150          O  
ATOM    336  CB  CYS A  24      20.688   4.250   6.919  1.00  3.200          C  
ATOM    337  SG  CYS A  24      21.608   3.309   5.671  1.00  3.200          S  
ATOM    338  H   CYS A  24      19.898   5.687   4.963  1.00  2.530          H  
ATOM    339  HA  CYS A  24      18.784   3.466   6.364  1.00  2.830          H  
ATOM    340 1HB  CYS A  24      21.162   5.232   7.016  1.00  3.840          H  
ATOM    341 2HB  CYS A  24      20.784   3.737   7.872  1.00  3.840          H  
ATOM    342  HG  CYS A  24      21.556   4.254   4.707  1.00  3.840          H  
ATOM    343  N   ILE A  25      17.925   6.255   7.647  1.00  1.860          N  
ATOM    344  CA  ILE A  25      17.166   7.006   8.639  1.00  2.010          C  
ATOM    345  C   ILE A  25      15.649   6.770   8.477  1.00  1.680          C  
ATOM    346  O   ILE A  25      14.995   6.837   9.514  1.00  2.030          O  
ATOM    347  CB  ILE A  25      17.518   8.508   8.574  1.00  2.750          C  
ATOM    348  CG1 ILE A  25      19.026   8.655   8.925  1.00  2.750          C  
ATOM    349  CG2 ILE A  25      16.633   9.332   9.563  1.00  2.750          C  
ATOM    350  CD1 ILE A  25      19.626  10.013   8.636  1.00  2.750          C  
ATOM    351  H   ILE A  25      18.023   6.720   6.739  1.00  2.230          H  
ATOM    352  HA  ILE A  25      17.453   6.646   9.626  1.00  2.410          H  
ATOM    353  HB  ILE A  25      17.376   8.874   7.563  1.00  3.300          H  
ATOM    354 1HG1 ILE A  25      19.163   8.432   9.977  1.00  3.300          H  
ATOM    355 2HG1 ILE A  25      19.588   7.925   8.342  1.00  3.300          H  
ATOM    356 1HG2 ILE A  25      16.902  10.379   9.513  1.00  3.300          H  
ATOM    357 2HG2 ILE A  25      15.583   9.245   9.321  1.00  3.300          H  
ATOM    358 3HG2 ILE A  25      16.793   8.964  10.577  1.00  3.300          H  
ATOM    359 1HD1 ILE A  25      20.684   9.997   8.898  1.00  3.300          H  
ATOM    360 2HD1 ILE A  25      19.523  10.227   7.573  1.00  3.300          H  
ATOM    361 3HD1 ILE A  25      19.130  10.784   9.209  1.00  3.300          H  
ATOM    362  N   ILE A  26      15.181   7.338   7.359  1.00  1.150          N  
ATOM    363  CA  ILE A  26      14.042   6.726   6.626  1.00  1.200          C  
ATOM    364  C   ILE A  26      13.801   5.215   6.862  1.00  0.900          C  
ATOM    365  O   ILE A  26      12.639   4.823   7.030  1.00  0.920          O  
ATOM    366  CB  ILE A  26      14.221   6.929   5.113  1.00  1.660          C  
ATOM    367  CG1 ILE A  26      14.331   8.448   4.745  1.00  1.660          C  
ATOM    368  CG2 ILE A  26      13.110   6.240   4.341  1.00  1.660          C  
ATOM    369  CD1 ILE A  26      13.147   9.335   5.093  1.00  1.660          C  
ATOM    370  H   ILE A  26      15.010   8.326   7.487  1.00  1.380          H  
ATOM    371  HA  ILE A  26      13.140   7.238   6.940  1.00  1.440          H  
ATOM    372  HB  ILE A  26      15.129   6.485   4.820  1.00  1.990          H  
ATOM    373 1HG1 ILE A  26      15.218   8.846   5.237  1.00  1.990          H  
ATOM    374 2HG1 ILE A  26      14.493   8.504   3.671  1.00  1.990          H  
ATOM    375 1HG2 ILE A  26      13.280   6.369   3.287  1.00  1.990          H  
ATOM    376 2HG2 ILE A  26      13.094   5.178   4.552  1.00  1.990          H  
ATOM    377 3HG2 ILE A  26      12.146   6.665   4.601  1.00  1.990          H  
ATOM    378 1HD1 ILE A  26      13.368  10.353   4.767  1.00  1.990          H  
ATOM    379 2HD1 ILE A  26      12.254   8.985   4.585  1.00  1.990          H  
ATOM    380 3HD1 ILE A  26      12.975   9.339   6.162  1.00  1.990          H  
ATOM    381  N   ASN A  27      14.834   4.385   6.990  1.00  0.800          N  
ATOM    382  CA  ASN A  27      14.634   2.998   7.395  1.00  0.870          C  
ATOM    383  C   ASN A  27      13.708   2.892   8.630  1.00  0.950          C  
ATOM    384  O   ASN A  27      13.007   1.891   8.761  1.00  0.960          O  
ATOM    385  CB  ASN A  27      15.946   2.305   7.687  1.00  1.190          C  
ATOM    386  CG  ASN A  27      15.765   0.830   7.962  1.00  1.190          C  
ATOM    387  OD1 ASN A  27      15.296   0.067   7.112  1.00  1.190          O  
ATOM    388  ND2 ASN A  27      16.144   0.413   9.138  1.00  1.190          N  
ATOM    389  H   ASN A  27      15.770   4.695   6.720  1.00  0.960          H  
ATOM    390  HA  ASN A  27      14.150   2.471   6.573  1.00  1.040          H  
ATOM    391 1HB  ASN A  27      16.620   2.430   6.841  1.00  1.430          H  
ATOM    392 2HB  ASN A  27      16.412   2.769   8.554  1.00  1.430          H  
ATOM    393 1HD2 ASN A  27      16.066  -0.560   9.367  1.00  1.430          H  
ATOM    394 2HD2 ASN A  27      16.532   1.058   9.797  1.00  1.430          H  
ATOM    395  N   ASN A  28      13.668   3.890   9.548  1.00  1.120          N  
ATOM    396  CA  ASN A  28      12.777   3.761  10.691  1.00  1.320          C  
ATOM    397  C   ASN A  28      11.325   3.609  10.219  1.00  1.210          C  
ATOM    398  O   ASN A  28      10.517   2.950  10.887  1.00  1.240          O  
ATOM    399  CB  ASN A  28      12.908   4.961  11.604  1.00  1.770          C  
ATOM    400  CG  ASN A  28      14.189   4.975  12.387  1.00  1.770          C  
ATOM    401  OD1 ASN A  28      14.846   3.951  12.590  1.00  1.770          O  
ATOM    402  ND2 ASN A  28      14.563   6.140  12.836  1.00  1.770          N  
ATOM    403  H   ASN A  28      14.244   4.736   9.489  1.00  1.340          H  
ATOM    404  HA  ASN A  28      13.033   2.865  11.237  1.00  1.580          H  
ATOM    405 1HB  ASN A  28      12.862   5.871  11.001  1.00  2.120          H  
ATOM    406 2HB  ASN A  28      12.071   4.986  12.297  1.00  2.120          H  
ATOM    407 1HD2 ASN A  28      15.407   6.225  13.363  1.00  2.120          H  
ATOM    408 2HD2 ASN A  28      14.010   6.951  12.645  1.00  2.120          H  
ATOM    409  N   GLY A  29      10.989   4.254   9.087  1.00  1.130          N  
ATOM    410  CA  GLY A  29       9.680   4.181   8.469  1.00  1.150          C  
ATOM    411  C   GLY A  29       9.474   2.750   8.042  1.00  0.970          C  
ATOM    412  O   GLY A  29       8.499   2.115   8.418  1.00  1.060          O  
ATOM    413  H   GLY A  29      11.690   4.788   8.585  1.00  1.360          H  
ATOM    414 1HA  GLY A  29       8.906   4.489   9.170  1.00  1.380          H  
ATOM    415 2HA  GLY A  29       9.641   4.842   7.602  1.00  1.380          H  
ATOM    416  N   ALA A  30      10.452   2.194   7.326  1.00  0.790          N  
ATOM    417  CA  ALA A  30      10.325   0.812   6.852  1.00  0.730          C  
ATOM    418  C   ALA A  30      10.069  -0.154   8.007  1.00  0.760          C  
ATOM    419  O   ALA A  30       9.242  -1.066   7.908  1.00  0.820          O  
ATOM    420  CB  ALA A  30      11.610   0.362   6.157  1.00  1.050          C  
ATOM    421  H   ALA A  30      11.252   2.789   7.086  1.00  0.950          H  
ATOM    422  HA  ALA A  30       9.483   0.765   6.160  1.00  0.880          H  
ATOM    423 1HB  ALA A  30      11.497  -0.652   5.803  1.00  1.260          H  
ATOM    424 2HB  ALA A  30      11.852   0.996   5.337  1.00  1.260          H  
ATOM    425 3HB  ALA A  30      12.431   0.395   6.865  1.00  1.260          H  
ATOM    426  N   MET A  31      10.766   0.055   9.123  1.00  0.830          N  
ATOM    427  CA  MET A  31      10.589  -0.837  10.258  1.00  0.990          C  
ATOM    428  C   MET A  31       9.191  -0.722  10.846  1.00  1.030          C  
ATOM    429  O   MET A  31       8.586  -1.735  11.205  1.00  1.090          O  
ATOM    430  CB  MET A  31      11.647  -0.568  11.315  1.00  1.320          C  
ATOM    431  CG  MET A  31      13.042  -0.991  10.892  1.00  1.320          C  
ATOM    432  SD  MET A  31      14.270  -0.921  12.221  1.00  1.320          S  
ATOM    433  CE  MET A  31      14.516   0.832  12.439  1.00  1.320          C  
ATOM    434  H   MET A  31      11.455   0.814   9.140  1.00  1.000          H  
ATOM    435  HA  MET A  31      10.711  -1.859   9.906  1.00  1.190          H  
ATOM    436 1HB  MET A  31      11.661   0.500  11.527  1.00  1.590          H  
ATOM    437 2HB  MET A  31      11.386  -1.088  12.235  1.00  1.590          H  
ATOM    438 1HG  MET A  31      13.006  -2.009  10.508  1.00  1.590          H  
ATOM    439 2HG  MET A  31      13.373  -0.339  10.082  1.00  1.590          H  
ATOM    440 1HE  MET A  31      15.264   1.003  13.212  1.00  1.590          H  
ATOM    441 2HE  MET A  31      14.852   1.279  11.506  1.00  1.590          H  
ATOM    442 3HE  MET A  31      13.584   1.291  12.751  1.00  1.590          H  
ATOM    443  N   ALA A  32       8.686   0.509  10.990  1.00  1.060          N  
ATOM    444  CA  ALA A  32       7.343   0.716  11.509  1.00  1.200          C  
ATOM    445  C   ALA A  32       6.274   0.189  10.558  1.00  1.100          C  
ATOM    446  O   ALA A  32       5.283  -0.431  10.979  1.00  1.180          O  
ATOM    447  CB  ALA A  32       7.105   2.199  11.731  1.00  1.620          C  
ATOM    448  H   ALA A  32       9.267   1.325  10.758  1.00  1.270          H  
ATOM    449  HA  ALA A  32       7.259   0.179  12.451  1.00  1.440          H  
ATOM    450 1HB  ALA A  32       6.115   2.364  12.133  1.00  1.950          H  
ATOM    451 2HB  ALA A  32       7.854   2.585  12.424  1.00  1.950          H  
ATOM    452 3HB  ALA A  32       7.198   2.718  10.773  1.00  1.950          H  
ATOM    453  N   TRP A  33       6.470   0.430   9.267  1.00  1.000          N  
ATOM    454  CA  TRP A  33       5.488   0.085   8.263  1.00  1.030          C  
ATOM    455  C   TRP A  33       5.284  -1.401   8.208  1.00  1.010          C  
ATOM    456  O   TRP A  33       4.150  -1.880   8.164  1.00  1.030          O  
ATOM    457  CB  TRP A  33       5.911   0.678   6.931  1.00  1.430          C  
ATOM    458  CG  TRP A  33       5.823   2.203   6.931  1.00  1.430          C  
ATOM    459  CD1 TRP A  33       5.156   2.984   7.827  1.00  1.430          C  
ATOM    460  CD2 TRP A  33       6.402   3.118   5.989  1.00  1.430          C  
ATOM    461  NE1 TRP A  33       5.285   4.290   7.499  1.00  1.430          N  
ATOM    462  CE2 TRP A  33       6.051   4.394   6.392  1.00  1.430          C  
ATOM    463  CE3 TRP A  33       7.161   2.965   4.870  1.00  1.430          C  
ATOM    464  CZ2 TRP A  33       6.458   5.507   5.700  1.00  1.430          C  
ATOM    465  CZ3 TRP A  33       7.549   4.055   4.179  1.00  1.430          C  
ATOM    466  CH2 TRP A  33       7.224   5.302   4.578  1.00  1.430          C  
ATOM    467  H   TRP A  33       7.316   0.918   8.976  1.00  1.200          H  
ATOM    468  HA  TRP A  33       4.548   0.521   8.539  1.00  1.240          H  
ATOM    469 1HB  TRP A  33       6.947   0.402   6.736  1.00  1.720          H  
ATOM    470 2HB  TRP A  33       5.305   0.267   6.130  1.00  1.720          H  
ATOM    471  HD1 TRP A  33       4.599   2.635   8.667  1.00  1.720          H  
ATOM    472  HE1 TRP A  33       4.854   5.095   7.986  1.00  1.720          H  
ATOM    473  HE3 TRP A  33       7.434   2.018   4.537  1.00  1.720          H  
ATOM    474  HZ2 TRP A  33       6.190   6.514   6.011  1.00  1.720          H  
ATOM    475  HZ3 TRP A  33       8.121   3.893   3.298  1.00  1.720          H  
ATOM    476  HH2 TRP A  33       7.565   6.153   3.992  1.00  1.720          H  
ATOM    477  N   ALA A  34       6.376  -2.132   8.329  1.00  1.040          N  
ATOM    478  CA  ALA A  34       6.387  -3.575   8.319  1.00  1.230          C  
ATOM    479  C   ALA A  34       5.578  -4.217   9.463  1.00  1.330          C  
ATOM    480  O   ALA A  34       5.238  -5.400   9.372  1.00  1.500          O  
ATOM    481  CB  ALA A  34       7.815  -4.070   8.384  1.00  1.650          C  
ATOM    482  H   ALA A  34       7.281  -1.651   8.342  1.00  1.250          H  
ATOM    483  HA  ALA A  34       5.956  -3.893   7.374  1.00  1.480          H  
ATOM    484 1HB  ALA A  34       7.825  -5.156   8.321  1.00  1.980          H  
ATOM    485 2HB  ALA A  34       8.383  -3.653   7.560  1.00  1.980          H  
ATOM    486 3HB  ALA A  34       8.259  -3.745   9.327  1.00  1.980          H  
ATOM    487  N   THR A  35       5.335  -3.506  10.581  1.00  1.290          N  
ATOM    488  CA  THR A  35       4.637  -4.140  11.701  1.00  1.540          C  
ATOM    489  C   THR A  35       3.325  -3.458  12.103  1.00  1.430          C  
ATOM    490  O   THR A  35       2.518  -4.059  12.818  1.00  1.570          O  
ATOM    491  CB  THR A  35       5.535  -4.218  12.953  1.00  2.060          C  
ATOM    492  OG1 THR A  35       5.855  -2.900  13.415  1.00  2.060          O  
ATOM    493  CG2 THR A  35       6.834  -4.933  12.596  1.00  2.060          C  
ATOM    494  H   THR A  35       5.577  -2.518  10.653  1.00  1.550          H  
ATOM    495  HA  THR A  35       4.389  -5.159  11.412  1.00  1.850          H  
ATOM    496  HB  THR A  35       5.016  -4.763  13.740  1.00  2.470          H  
ATOM    497  HG1 THR A  35       6.241  -2.959  14.296  1.00  2.470          H  
ATOM    498 1HG2 THR A  35       7.468  -4.991  13.477  1.00  2.470          H  
ATOM    499 2HG2 THR A  35       6.610  -5.937  12.240  1.00  2.470          H  
ATOM    500 3HG2 THR A  35       7.356  -4.380  11.816  1.00  2.470          H  
ATOM    501  N   GLY A  36       3.076  -2.231  11.631  1.00  1.280          N  
ATOM    502  CA  GLY A  36       1.871  -1.505  12.042  1.00  1.240          C  
ATOM    503  C   GLY A  36       2.146  -0.316  12.970  1.00  1.680          C  
ATOM    504  O   GLY A  36       1.223   0.227  13.584  1.00  1.890          O  
ATOM    505  H   GLY A  36       3.766  -1.771  11.037  1.00  1.540          H  
ATOM    506 1HA  GLY A  36       1.333  -1.167  11.165  1.00  1.490          H  
ATOM    507 2HA  GLY A  36       1.202  -2.196  12.551  1.00  1.490          H  
ATOM    508  N   GLY A  37       3.410   0.106  13.082  1.00  2.240          N  
ATOM    509  CA  GLY A  37       3.794   1.226  13.937  1.00  3.300          C  
ATOM    510  C   GLY A  37       3.106   2.542  13.573  1.00  3.270          C  
ATOM    511  O   GLY A  37       2.840   3.373  14.443  1.00  3.590          O  
ATOM    512  H   GLY A  37       4.142  -0.322  12.513  1.00  2.690          H  
ATOM    513 1HA  GLY A  37       3.565   0.974  14.972  1.00  3.960          H  
ATOM    514 2HA  GLY A  37       4.873   1.354  13.883  1.00  3.960          H  
ATOM    515  N   HIS A  38       2.787   2.728  12.290  1.00  3.220          N  
ATOM    516  CA  HIS A  38       2.147   3.933  11.803  1.00  3.360          C  
ATOM    517  C   HIS A  38       0.647   3.976  12.072  1.00  4.430          C  
ATOM    518  O   HIS A  38      -0.002   4.992  11.826  1.00  5.190          O  
ATOM    519  CB  HIS A  38       2.432   4.013  10.309  1.00  4.650          C  
ATOM    520  CG  HIS A  38       1.940   2.791   9.627  1.00  4.650          C  
ATOM    521  ND1 HIS A  38       2.500   1.565   9.870  1.00  4.650          N  
ATOM    522  CD2 HIS A  38       0.966   2.576   8.712  1.00  4.650          C  
ATOM    523  CE1 HIS A  38       1.878   0.646   9.145  1.00  4.650          C  
ATOM    524  NE2 HIS A  38       0.943   1.227   8.448  1.00  4.650          N  
ATOM    525  H   HIS A  38       3.003   2.026  11.575  1.00  3.860          H  
ATOM    526  HA  HIS A  38       2.596   4.799  12.289  1.00  4.030          H  
ATOM    527 1HB  HIS A  38       1.940   4.881   9.877  1.00  5.580          H  
ATOM    528 2HB  HIS A  38       3.498   4.118  10.139  1.00  5.580          H  
ATOM    529  HD2 HIS A  38       0.319   3.316   8.277  1.00  5.580          H  
ATOM    530  HE1 HIS A  38       2.109  -0.421   9.125  1.00  5.580          H  
ATOM    531  HE2 HIS A  38       0.313   0.729   7.813  1.00  5.580          H  
ATOM    532  N   GLN A  39       0.066   2.868  12.529  1.00  4.810          N  
ATOM    533  CA  GLN A  39      -1.366   2.795  12.810  1.00  6.060          C  
ATOM    534  C   GLN A  39      -2.222   3.263  11.628  1.00  6.360          C  
ATOM    535  O   GLN A  39      -3.230   3.942  11.807  1.00  6.970          O  
ATOM    536  CB  GLN A  39      -1.706   3.640  14.051  1.00  7.980          C  
ATOM    537  CG  GLN A  39      -0.969   3.215  15.326  1.00  7.980          C  
ATOM    538  CD  GLN A  39      -1.387   4.037  16.550  1.00  7.980          C  
ATOM    539  OE1 GLN A  39      -2.552   4.425  16.681  1.00  7.980          O  
ATOM    540  NE2 GLN A  39      -0.444   4.304  17.453  1.00  7.980          N  
ATOM    541  H   GLN A  39       0.637   2.046  12.747  1.00  5.770          H  
ATOM    542  HA  GLN A  39      -1.614   1.754  13.018  1.00  7.270          H  
ATOM    543 1HB  GLN A  39      -1.478   4.688  13.859  1.00  9.580          H  
ATOM    544 2HB  GLN A  39      -2.774   3.573  14.249  1.00  9.580          H  
ATOM    545 1HG  GLN A  39      -1.181   2.167  15.523  1.00  9.580          H  
ATOM    546 2HG  GLN A  39       0.104   3.354  15.170  1.00  9.580          H  
ATOM    547 1HE2 GLN A  39      -0.673   4.837  18.269  1.00  9.580          H  
ATOM    548 2HE2 GLN A  39       0.496   3.977  17.324  1.00  9.580          H  
ATOM    549  N   GLY A  40      -1.816   2.893  10.418  1.00  6.200          N  
ATOM    550  CA  GLY A  40      -2.516   3.239   9.186  1.00  6.880          C  
ATOM    551  C   GLY A  40      -2.186   4.628   8.606  1.00  7.560          C  
ATOM    552  O   GLY A  40      -2.593   4.930   7.482  1.00  7.850          O  
ATOM    553  H   GLY A  40      -0.990   2.316  10.360  1.00  7.440          H  
ATOM    554 1HA  GLY A  40      -2.295   2.478   8.437  1.00  8.260          H  
ATOM    555 2HA  GLY A  40      -3.588   3.181   9.369  1.00  8.260          H  
ATOM    556  N   ASN A  41      -1.360   5.430   9.286  1.00  8.010          N  
ATOM    557  CA  ASN A  41      -1.066   6.794   8.825  1.00  8.970          C  
ATOM    558  C   ASN A  41      -0.446   6.904   7.437  1.00  8.990          C  
ATOM    559  O   ASN A  41      -0.713   7.867   6.717  1.00 10.050          O  
ATOM    560  CB  ASN A  41      -0.174   7.509   9.819  1.00 12.170          C  
ATOM    561  CG  ASN A  41      -0.899   7.924  11.074  1.00 12.170          C  
ATOM    562  OD1 ASN A  41      -2.131   8.045  11.107  1.00 12.170          O  
ATOM    563  ND2 ASN A  41      -0.148   8.152  12.118  1.00 12.170          N  
ATOM    564  H   ASN A  41      -1.012   5.139  10.204  1.00  9.610          H  
ATOM    565  HA  ASN A  41      -2.014   7.333   8.782  1.00 10.760          H  
ATOM    566 1HB  ASN A  41       0.657   6.865  10.093  1.00 14.610          H  
ATOM    567 2HB  ASN A  41       0.250   8.396   9.347  1.00 14.610          H  
ATOM    568 1HD2 ASN A  41      -0.568   8.428  12.981  1.00 14.610          H  
ATOM    569 2HD2 ASN A  41       0.842   8.041  12.057  1.00 14.610          H  
ATOM    570  N   HIS A  42       0.356   5.927   7.036  1.00  8.000          N  
ATOM    571  CA  HIS A  42       0.991   5.968   5.729  1.00  8.330          C  
ATOM    572  C   HIS A  42       0.346   5.015   4.735  1.00  8.610          C  
ATOM    573  O   HIS A  42       0.923   4.720   3.701  1.00  8.450          O  
ATOM    574  CB  HIS A  42       2.488   5.679   5.840  1.00 11.530          C  
ATOM    575  CG  HIS A  42       3.227   6.728   6.607  1.00 11.530          C  
ATOM    576  ND1 HIS A  42       3.525   6.615   7.966  1.00 11.530          N  
ATOM    577  CD2 HIS A  42       3.712   7.926   6.216  1.00 11.530          C  
ATOM    578  CE1 HIS A  42       4.161   7.705   8.361  1.00 11.530          C  
ATOM    579  NE2 HIS A  42       4.289   8.512   7.321  1.00 11.530          N  
ATOM    580  H   HIS A  42       0.566   5.167   7.660  1.00  9.600          H  
ATOM    581  HA  HIS A  42       0.890   6.971   5.313  1.00 10.000          H  
ATOM    582 1HB  HIS A  42       2.636   4.721   6.336  1.00 13.840          H  
ATOM    583 2HB  HIS A  42       2.925   5.603   4.848  1.00 13.840          H  
ATOM    584  HD2 HIS A  42       3.652   8.349   5.214  1.00 13.840          H  
ATOM    585  HE1 HIS A  42       4.518   7.905   9.371  1.00 13.840          H  
ATOM    586  HE2 HIS A  42       4.735   9.420   7.332  1.00 13.840          H  
ATOM    587  N   LYS A  43      -0.843   4.502   5.051  1.00  9.160          N  
ATOM    588  CA  LYS A  43      -1.568   3.612   4.141  1.00  9.630          C  
ATOM    589  C   LYS A  43      -0.765   2.413   3.615  1.00  9.140          C  
ATOM    590  O   LYS A  43      -0.911   2.057   2.438  1.00  9.420          O  
ATOM    591  CB  LYS A  43      -2.087   4.418   2.944  1.00 13.290          C  
ATOM    592  CG  LYS A  43      -3.039   5.546   3.307  1.00 13.290          C  
ATOM    593  CD  LYS A  43      -3.559   6.253   2.063  1.00 13.290          C  
ATOM    594  CE  LYS A  43      -4.488   7.408   2.423  1.00 13.290          C  
ATOM    595  NZ  LYS A  43      -4.974   8.130   1.211  1.00 13.290          N  
ATOM    596  H   LYS A  43      -1.300   4.771   5.927  1.00 10.990          H  
ATOM    597  HA  LYS A  43      -2.424   3.214   4.688  1.00 11.560          H  
ATOM    598 1HB  LYS A  43      -1.248   4.847   2.396  1.00 15.950          H  
ATOM    599 2HB  LYS A  43      -2.611   3.752   2.261  1.00 15.950          H  
ATOM    600 1HG  LYS A  43      -3.876   5.144   3.876  1.00 15.950          H  
ATOM    601 2HG  LYS A  43      -2.513   6.268   3.934  1.00 15.950          H  
ATOM    602 1HD  LYS A  43      -2.716   6.638   1.488  1.00 15.950          H  
ATOM    603 2HD  LYS A  43      -4.102   5.540   1.444  1.00 15.950          H  
ATOM    604 1HE  LYS A  43      -5.345   7.018   2.970  1.00 15.950          H  
ATOM    605 2HE  LYS A  43      -3.951   8.110   3.062  1.00 15.950          H  
ATOM    606 1HZ  LYS A  43      -5.585   8.886   1.491  1.00 15.950          H  
ATOM    607 2HZ  LYS A  43      -4.186   8.507   0.702  1.00 15.950          H  
ATOM    608 3HZ  LYS A  43      -5.483   7.491   0.617  1.00 15.950          H  
ATOM    609  N   CYS A  44       0.027   1.781   4.483  1.00  8.520          N  
ATOM    610  CA  CYS A  44       0.848   0.633   4.120  1.00  8.060          C  
ATOM    611  C   CYS A  44       0.063  -0.661   4.327  1.00  8.460          C  
ATOM    612  O   CYS A  44      -0.416  -1.279   3.372  1.00  8.460          O  
ATOM    613  OXT CYS A  44      -0.275  -0.959   5.472  1.00 12.090          O  
ATOM    614  CB  CYS A  44       2.114   0.591   4.977  1.00 11.160          C  
ATOM    615  SG  CYS A  44       3.154   2.040   4.787  1.00 11.160          S  
ATOM    616  H   CYS A  44       0.068   2.135   5.425  1.00 10.220          H  
ATOM    617  HA  CYS A  44       1.137   0.725   3.076  1.00  9.670          H  
ATOM    618 1HB  CYS A  44       1.854   0.492   6.015  1.00 13.390          H  
ATOM    619 2HB  CYS A  44       2.707  -0.290   4.708  1.00 13.390          H  
ATOM    620  HG  CYS A  44       4.119   1.654   5.625  1.00 13.390          H  
TER                                                                             
# All scores below are weighted scores, not raw scores.
#BEGIN_POSE_ENERGIES_TABLE model01_0001.pdb
label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro cart_bonded total
weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 0.5 NA
pose -203.597 21.9118 161.137 -10.9586 3.32758 7.96008 85.1205 -88.8305 -0.20935 -1.13973 -69.3536 -18.5164 -20.3005 -12.5278 -3.0595 -0.6525 -1.10935 3.81805 1.59775 15.0472 26.2816 -9.12096 10.3998 20.7953 6.04698 45.6748 -30.2573
LYS:NtermProteinFull_1 -3.88171 0.10261 3.89991 -0.3095 0.02179 0.15423 2.33159 -1.68126 -0 -0 -2.35133 0.90188 0 0 0 0 0 0.01726 0.00246 2.07042 0 0 0 -1.5107 0 0.15762 -0.07474
TYR_2 -6.89074 0.86796 3.32417 -0.54151 0.01984 -0.00939 2.99836 -2.14665 -0 -0 -2.33923 -0.3885 0 0 0 0 0 -0.01744 0.05926 0 1.95059 -0.39879 0.00605 1.2797 0.18346 0.56815 -1.47471
TYR_3 -3.56827 0.53816 1.5644 -1.02825 0.11812 0.66531 1.22833 -1.13859 -0 -0 -0.59048 -0.30828 0 0 0 0 0 0.22746 0.01522 0 1.56096 -0.22102 0.00014 1.2797 0.3662 0.54333 1.25244
GLY_4 -2.65313 0.42126 2.96547 -0.00074 0 0 1.70501 -1.59423 -0 -0 -1.66172 -0.24884 0 0 0 0 0 0.07233 0 0 0 -1.52447 0 0.83697 0.72431 0.21716 -0.74063
ASN_5 -2.6877 0.3407 1.53995 -0.20267 0.04831 0.35025 1.00517 -0.99885 -0 -0 -0.0077 -1.00588 0 0 0 0 0 -0.08864 0.06487 0 1.85064 -1.02315 0 -0.93687 0.05579 0.29222 -1.40356
GLY_6 -2.65519 0.35722 2.02893 -6e-05 0 0 1.06108 -1.27335 -0.0104 -0.04227 -1.1652 -0.35841 0 0 0 0 0 -0.17173 0 0 0 -1.52355 0 0.83697 -0.84113 0.37201 -3.3851
VAL_7 -7.12049 1.45445 2.46063 -0.3846 0.42034 0.09805 2.4182 -2.37515 -0 -0 -2.49676 0.01784 0 0 0 0 0 0.07917 0.26133 0.80638 0 -0.77518 0 1.9342 -0.52543 0.54707 -3.17995
THR_8 -3.85922 0.32124 3.19607 -0.16832 0.08803 0.06084 2.33424 -1.76407 -0.01621 -0.06564 -2.25088 -0.30031 0 0 0 0 0 -0.04734 0.00146 0.18306 0 -0.15437 2.27989 -1.0874 -0.11407 0.51555 -0.84745
CYS:disulfide_9 -6.25275 0.71195 3.55085 -0.04275 0.00034 0.01858 2.44725 -2.09961 -0 -0 -3.28527 -0.28878 0 0 0 0 -0.55467 0.12954 0.21581 0.88254 0 -0.01198 0 3.6196 0.44864 0.66805 0.15733
GLY_10 -2.93998 0.3115 3.37611 -0.00017 0 0 1.67808 -1.63097 -0.00581 -0.02338 -2.67094 -0.44483 0 0 0 0 0 -0.00916 0 0 0 0.57098 0 0.83697 1.21844 0.67612 0.94297
LYS_11 -4.41533 0.49247 4.66854 -0.26454 0.02878 0.11219 1.52723 -1.9792 -0 -0 -0.07302 -0.19128 0 0 0 0 0 -0.1438 0.00986 0.82204 0 0.34093 0 -1.5107 2.41375 0.53242 2.37035
HIS_D_12 -3.76775 0.27114 3.22348 -0.42576 0.02886 0.5483 1.29345 -1.7642 -0.00111 -0.00303 -1.22191 -0.38998 0 0 -0.49892 0 0 0.0122 0.08428 0 1.67761 -0.21187 0 -0.45461 1.29461 0.45977 0.15457
SER_13 -2.7762 0.15027 3.40552 -0.03645 0.00255 0.06857 1.76373 -1.68122 -0 -0 -1.95701 -0.67719 0 0 0 0 0 -0.06843 0.00033 0.39081 0 0.45083 0.60092 -0.77834 0.09511 0.24304 -0.80316
CYS:disulfide_14 -4.72173 0.32014 1.56289 -0.03918 0 0.01622 0.67708 -1.22077 -0.00109 -0.00298 -0.47875 -0.20883 0 0 0 0 -0.55467 0.14393 0.01687 0.21157 0 -0.05602 0 3.6196 0.46696 0.43021 0.18144
SER_15 -2.35836 0.09195 2.88713 -0.03084 0 0.07242 1.92352 -1.41068 -0 -0 -2.20087 -0.21823 0 0 0 0 0 0.0441 0.00068 0.22111 0 -0.39046 0.60069 -0.77834 -0.00811 0.30111 -1.25319
VAL_16 -6.29157 0.60016 1.23298 -0.34709 0.23375 0.08205 0.90425 -1.75896 -0 -0 -0.42676 -0.08882 0 0 0 0 0 0.16984 0.16024 0.9142 0 -0.37055 0 1.9342 -0.24479 0.27005 -3.02682
ASP_17 -4.19091 0.39228 6.10827 -0.22414 0.08031 0.71614 3.52954 -2.64141 -0.02402 -0.13927 -6.58996 -1.28655 0 0 -1.03083 0 0 -0.07473 0.01544 0 2.04292 -0.84678 0 -2.3716 -0.12291 0.43267 -6.22555
TRP_18 -4.58309 0.37891 1.91179 -0.9727 0.08644 0.34925 0.94509 -1.50153 -0 -0 0.21825 -0.45325 0 0 0 0 0 -0.03242 0.10944 0 1.84974 -0.02671 0 1.6906 -0.16946 0.38012 0.18044
GLY_19 -1.42728 0.1992 2.09113 -6e-05 0 0 0.84592 -0.91594 -0 -0 -1.73118 -0.3798 0 0 -0.6479 0 0 -0.07596 0 0 0 0.21429 0 0.83697 -0.18859 0.35786 -0.82131
LYS_20 -4.68724 0.64461 6.26143 -0.35823 0.05607 0.28701 3.06408 -2.58906 -0.02402 -0.13927 -3.83407 -0.09615 0 0 0 0 0 -0.00182 0.08557 2.38921 0 0.01624 0 -1.5107 0.044 0.36325 -0.02908
ALA_21 -2.23014 0.09087 2.32688 -0.02323 0 0 0.95957 -1.16761 -0 -0 -0.07998 -0.3696 0 0 0 0 0 -0.05662 0 0 0 -0.35685 0 1.8394 -0.29951 0.25402 0.8872
THR_22 -3.47626 0.30762 3.17136 -0.20661 0.20255 0.07835 1.14609 -1.63571 -0 -0 -0.48076 -0.50415 0 0 0 0 0 0.07988 0.00139 0.13633 0 -0.00094 2.31787 -1.0874 -0.31201 0.19807 -0.06432
THR_23 -7.28685 0.88779 6.18177 -0.11928 0.08091 0.05824 3.44942 -3.12049 -0 -0 -2.30447 -1.37884 0 0 -0.38293 0 0 0.18044 0.00494 0.17767 0 -0.06503 2.33218 -1.0874 -0.16699 0.70804 -1.8509
CYS_24 -5.13213 0.35003 3.74925 -0.05606 0.00465 0.02004 1.41555 -1.9255 -0 -0 -1.44496 -0.08433 0 0 0 0 0 -0.04005 0.00128 0.48868 0 0.16491 0 3.6196 -0.3133 0.75105 1.56872
ILE_25 -4.59123 0.92813 4.5783 -0.51186 0.44174 0.11298 2.26078 -2.28564 -0 -0 -0.94238 -0.43786 0 0 0 0 0 3.74371 0.03219 0.39187 0 -0.42817 0 0.73287 0.42809 12.9181 17.3716
ILE_26 -6.58589 1.17955 4.14615 -0.69016 0.60468 0.15847 2.67577 -2.48361 -0 -0 -1.17984 0.1456 0 0 0 0 0 0.50042 0.02942 1.06165 0 0.85489 0 0.73287 2.35717 13.8236 17.3307
ASN_27 -7.58186 1.11859 5.64678 -0.39726 0.02734 0.78527 3.16799 -3.30235 -0 -0 -2.38294 -0.19342 0 0 0 0 0 -0.06341 0.00095 0 2.51692 0.35307 0 -0.93687 2.08665 1.41847 2.26392
ASN_28 -4.44154 0.57582 4.51169 -0.17771 0.02119 0.26382 2.27667 -2.4778 -0 -0 -1.59918 -0.34638 0 0 0 0 0 0.08096 0.00087 0 1.47041 0.1724 0 -0.93687 0.26799 0.46986 0.13221
GLY_29 -4.41263 0.48769 4.35316 -6e-05 0 0 2.77921 -2.50381 -0.01137 -0.07232 -2.4596 -0.41652 0 0 0 0 0 -0.05275 0 0 0 0.39201 0 0.83697 0.48654 0.34769 -0.24579
ALA_30 -6.35295 0.55005 3.59529 -0.02169 0 0 2.51994 -2.68086 -0 -0 -1.23983 -0.36715 0 0 0 0 0 -0.04558 0 0 0 -0.29489 0 1.8394 0.33222 0.43147 -1.73459
MET_31 -5.35602 0.40151 4.57324 -0.33878 0.06495 0.0987 2.17228 -2.55207 -0 -0 -1.37596 -0.06671 0 0 0 0 0 0.08241 0.01431 1.7689 0 0.0856 0 0.60916 -0.12829 0.37196 0.42517
ALA_32 -5.12793 0.18932 5.0128 -0.02183 0 0 3.62112 -2.97665 -0 -0 -3.6634 -0.34244 0 0 0 0 0 0.02387 0 0 0 -0.08145 0 1.8394 -0.04464 0.2732 -1.29862
TRP_33 -12.661 1.69158 5.35887 -0.747 0.32834 0.42921 2.75167 -3.7302 -0 -0 -2.82948 -0.41573 0 0 0 -0.32625 0 0.0206 0.02802 0 2.81216 0.03131 0 1.6906 -0.23034 0.63893 -5.1587
ALA_34 -4.77434 0.31981 3.22983 -0.02573 0.00094 0 1.87806 -2.26099 -0.01138 -0.07237 -1.99575 -0.39896 0 0 -0.49892 0 0 -0.0389 0 0 0 -0.12426 0 1.8394 -0.50013 0.88632 -2.54738
THR_35 -2.79883 0.24 3.12363 -0.11444 0.07763 0.06567 1.59252 -1.64688 -0.02927 -0.13962 -0.19376 -1.15636 0 0 0 0 0 -0.07417 0.05207 0.1158 0 -0.70372 2.2621 -1.0874 -0.4477 0.57018 -0.29257
GLY_36 -2.8042 0.29597 3.35969 -6e-05 0 0 1.59715 -1.70435 -0 -0 -1.02422 -0.32999 0 0 0 0 0 -0.16938 0 0 0 -1.54028 0 0.83697 0.00306 0.36046 -1.11918
GLY_37 -2.30719 0.13526 2.64005 -4e-05 0 0 1.41175 -1.37671 -0.05171 -0.28843 -0.53037 -0.39948 0 0 0 0 0 -0.12024 0 0 0 0.4546 0 0.83697 0.16415 0.23562 0.80423
HIS_38 -9.2838 1.13096 8.13642 -0.80398 0.03289 0.9522 3.21309 -4.165 -0.00027 -0.00117 -1.27295 -3.01554 0 0 0 0 0 -0.04018 0.22418 0 1.84132 -0.10457 0 -0.45461 -0.1871 0.46974 -3.32838
GLN_39 -2.60543 0.23445 3.18908 -0.29565 0.05767 0.27847 1.19561 -1.51486 -0.02244 -0.14882 -0.38048 -0.76928 0 0 0 0 0 -0.08452 0.0241 0 2.68709 -0.17235 0 -0.18838 -0.40293 0.46364 1.54499
GLY_40 -2.57745 0.36531 2.95745 -6e-05 0 0 0.98295 -1.52435 -0 -0 -0.51913 -0.38411 0 0 0 0 0 -0.10673 0 0 0 -1.45576 0 0.83697 -0.65985 0.4125 -1.67224
ASN_41 -3.38975 0.22678 3.67535 -0.18476 0.03708 0.28245 1.60385 -1.77566 -0 -0 -0.77276 -0.32552 0 0 0 0 0 -0.07414 0.00164 0 1.47073 0.16736 0 -0.93687 -0.54034 0.51297 -0.02158
HIS_42 -6.8025 0.5834 4.34901 -0.44334 0.0265 0.52575 1.72279 -2.27416 -0 -0 -0.5025 -0.26495 0 0 0 -0.32625 0 -0.01079 0.00391 0 2.5505 -0.39118 0 -0.45461 -0.31474 0.29101 -1.73216
LYS_43 -2.70695 0.12136 3.48145 -0.34402 0.08142 0.2256 1.69713 -1.56747 -0 -0 -1.46434 -0.34845 0 0 0 0 0 -0.08114 0.00858 1.5316 0 -0.13604 0 -1.5107 -0.4603 0.28032 -1.19196
CYS:CtermProteinFull_44 -6.58193 0.53179 4.53033 -0.05746 0.00358 0.03486 1.34831 -2.01206 -0.00027 -0.00117 -1.59976 0.068 0 0 0 0 0 0 0.06681 0.48335 0 0 0 3.6196 -0.1675 0.25982 0.5263
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

