REMARK ID 700636 DOMAINID 691034 MODEL 1 SHP2 560-593 AB
MODEL     1
REMARK    Rerank model05.pdb to model01.pdb score: 23.605
REMARK    S_0000_0001
REMARK    SCORE fa_intra_sol_xover4:           5.477
REMARK    SCORE    fa_intra_rep:           0.261
REMARK    SCORE           score:         -68.212
REMARK    SCORE        hbond_sc:          -2.900
REMARK    SCORE             ref:          -1.484
REMARK    SCORE     lk_ball_wtd:          -4.803
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     rama_prepro:          -6.142
REMARK    SCORE         p_aa_pp:          -7.255
REMARK    SCORE         fa_elec:         -50.300
REMARK    SCORE     description: best_scoring0001_0001_0001
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     hbond_lr_bb:          -2.051
REMARK    SCORE          fa_rep:          18.614
REMARK    SCORE           omega:          -0.068
REMARK    SCORE          fa_dun:          38.268
REMARK    SCORE     cart_bonded:          29.458
REMARK    SCORE          fa_atr:        -178.968
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE     total_score:         -68.212
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE          fa_sol:         123.354
REMARK    SCORE     hbond_bb_sc:          -7.692
REMARK    SCORE     hbond_sr_bb:         -21.982
REMARK    SCORE            time:           0.000
ATOM      1  N   PRO A   1       0.584  -0.697   0.591  1.00  6.01           N  
ATOM      2  CA  PRO A   1       1.934  -0.453   0.095  1.00  5.25           C  
ATOM      3  C   PRO A   1       2.199   1.045   0.111  1.00  4.33           C  
ATOM      4  O   PRO A   1       1.225   1.797   0.178  1.00  4.34           O  
ATOM      5  CB  PRO A   1       1.861  -1.007  -1.328  1.00  7.87           C  
ATOM      6  CG  PRO A   1       0.459  -0.696  -1.767  1.00  7.87           C  
ATOM      7  CD  PRO A   1      -0.391  -0.796  -0.509  1.00  7.87           C  
ATOM      8  HA  PRO A   1       2.645  -1.010   0.719  1.00  6.30           H  
ATOM      9 1HB  PRO A   1       2.611  -0.516  -1.971  1.00  9.44           H  
ATOM     10 2HB  PRO A   1       2.088  -2.083  -1.331  1.00  9.44           H  
ATOM     11 1HG  PRO A   1       0.425   0.312  -2.214  1.00  9.44           H  
ATOM     12 2HG  PRO A   1       0.141  -1.399  -2.549  1.00  9.44           H  
ATOM     13 1HD  PRO A   1      -1.094   0.049  -0.452  1.00  9.44           H  
ATOM     14 2HD  PRO A   1      -0.912  -1.763  -0.465  1.00  9.44           H  
ATOM     15 1H   PRO A   1       0.179   0.383   0.917  1.00  9.45           H  
ATOM     16 2H   PRO A   1       0.292  -1.217   1.262  1.00  9.45           H  
ATOM     17  N   PRO A   2       3.465   1.487   0.127  1.00  4.00           N  
ATOM     18  CA  PRO A   2       3.881   2.876   0.088  1.00  3.64           C  
ATOM     19  C   PRO A   2       3.603   3.473  -1.284  1.00  2.98           C  
ATOM     20  O   PRO A   2       3.559   2.750  -2.282  1.00  3.13           O  
ATOM     21  CB  PRO A   2       5.380   2.781   0.409  1.00  5.46           C  
ATOM     22  CG  PRO A   2       5.791   1.391  -0.040  1.00  5.46           C  
ATOM     23  CD  PRO A   2       4.585   0.519   0.219  1.00  5.46           C  
ATOM     24  HA  PRO A   2       3.344   3.437   0.868  1.00  4.37           H  
ATOM     25 1HB  PRO A   2       5.933   3.567  -0.126  1.00  6.55           H  
ATOM     26 2HB  PRO A   2       5.546   2.954   1.483  1.00  6.55           H  
ATOM     27 1HG  PRO A   2       6.077   1.397  -1.090  1.00  6.55           H  
ATOM     28 2HG  PRO A   2       6.686   1.068   0.519  1.00  6.55           H  
ATOM     29 1HD  PRO A   2       4.529  -0.240  -0.568  1.00  6.55           H  
ATOM     30 2HD  PRO A   2       4.644   0.079   1.228  1.00  6.55           H  
ATOM     31  N   CYS A   3       3.470   4.789  -1.321  1.00  2.75           N  
ATOM     32  CA  CYS A   3       3.244   5.566  -2.528  1.00  2.55           C  
ATOM     33  C   CYS A   3       4.361   5.509  -3.552  1.00  2.09           C  
ATOM     34  O   CYS A   3       5.497   5.842  -3.250  1.00  2.48           O  
ATOM     35  CB  CYS A   3       3.074   7.021  -2.128  1.00  3.64           C  
ATOM     36  SG  CYS A   3       2.746   8.127  -3.471  1.00  3.64           S  
ATOM     37  H   CYS A   3       3.479   5.294  -0.435  1.00  3.30           H  
ATOM     38  HA  CYS A   3       2.326   5.207  -2.992  1.00  3.06           H  
ATOM     39 1HB  CYS A   3       2.281   7.096  -1.410  1.00  4.37           H  
ATOM     40 2HB  CYS A   3       3.983   7.366  -1.637  1.00  4.37           H  
ATOM     41  HG  CYS A   3       3.836   7.820  -4.205  1.00  4.37           H  
ATOM     42  N   THR A   4       4.028   5.134  -4.777  1.00  1.88           N  
ATOM     43  CA  THR A   4       5.023   5.073  -5.842  1.00  1.77           C  
ATOM     44  C   THR A   4       5.409   6.481  -6.296  1.00  1.65           C  
ATOM     45  O   THR A   4       4.571   7.383  -6.190  1.00  2.29           O  
ATOM     46  CB  THR A   4       4.503   4.302  -7.074  1.00  2.52           C  
ATOM     47  OG1 THR A   4       5.534   4.258  -8.042  1.00  2.52           O  
ATOM     48  CG2 THR A   4       3.311   5.005  -7.703  1.00  2.52           C  
ATOM     49  H   THR A   4       3.074   4.852  -4.952  1.00  2.26           H  
ATOM     50  HA  THR A   4       5.883   4.550  -5.448  1.00  2.12           H  
ATOM     51  HB  THR A   4       4.229   3.289  -6.779  1.00  3.02           H  
ATOM     52  HG1 THR A   4       5.213   3.780  -8.841  1.00  3.02           H  
ATOM     53 1HG2 THR A   4       2.984   4.442  -8.577  1.00  3.02           H  
ATOM     54 2HG2 THR A   4       2.500   5.062  -6.990  1.00  3.02           H  
ATOM     55 3HG2 THR A   4       3.588   6.002  -8.022  1.00  3.02           H  
ATOM     56  N   PRO A   5       6.685   6.736  -6.699  1.00  1.63           N  
ATOM     57  CA  PRO A   5       7.183   7.927  -7.378  1.00  1.68           C  
ATOM     58  C   PRO A   5       6.936   7.897  -8.885  1.00  1.39           C  
ATOM     59  O   PRO A   5       7.263   8.856  -9.580  1.00  1.79           O  
ATOM     60  CB  PRO A   5       8.679   7.885  -7.078  1.00  2.52           C  
ATOM     61  CG  PRO A   5       8.994   6.434  -6.999  1.00  2.52           C  
ATOM     62  CD  PRO A   5       7.761   5.798  -6.346  1.00  2.52           C  
ATOM     63  HA  PRO A   5       6.730   8.817  -6.941  1.00  2.02           H  
ATOM     64 1HB  PRO A   5       9.231   8.398  -7.877  1.00  3.02           H  
ATOM     65 2HB  PRO A   5       8.896   8.418  -6.155  1.00  3.02           H  
ATOM     66 1HG  PRO A   5       9.205   6.026  -8.002  1.00  3.02           H  
ATOM     67 2HG  PRO A   5       9.912   6.310  -6.416  1.00  3.02           H  
ATOM     68 1HD  PRO A   5       7.609   4.800  -6.774  1.00  3.02           H  
ATOM     69 2HD  PRO A   5       7.881   5.785  -5.256  1.00  3.02           H  
ATOM     70  N   THR A   6       6.445   6.761  -9.383  1.00  1.19           N  
ATOM     71  CA  THR A   6       6.243   6.534 -10.800  1.00  1.26           C  
ATOM     72  C   THR A   6       4.883   7.108 -11.134  1.00  1.06           C  
ATOM     73  O   THR A   6       4.209   7.625 -10.240  1.00  1.14           O  
ATOM     74  CB  THR A   6       6.240   5.021 -11.125  1.00  1.74           C  
ATOM     75  OG1 THR A   6       5.063   4.403 -10.546  1.00  1.74           O  
ATOM     76  CG2 THR A   6       7.507   4.388 -10.532  1.00  1.74           C  
ATOM     77  H   THR A   6       6.184   5.993  -8.767  1.00  1.43           H  
ATOM     78  HA  THR A   6       7.023   7.045 -11.356  1.00  1.51           H  
ATOM     79  HB  THR A   6       6.251   4.842 -12.175  1.00  2.09           H  
ATOM     80  HG1 THR A   6       4.237   4.694 -11.075  1.00  2.09           H  
ATOM     81 1HG2 THR A   6       7.512   3.323 -10.750  1.00  2.09           H  
ATOM     82 2HG2 THR A   6       8.381   4.859 -10.978  1.00  2.09           H  
ATOM     83 3HG2 THR A   6       7.540   4.531  -9.463  1.00  2.09           H  
ATOM     84  N   PRO A   7       4.496   7.212 -12.404  1.00  1.01           N  
ATOM     85  CA  PRO A   7       3.159   7.550 -12.786  1.00  0.98           C  
ATOM     86  C   PRO A   7       2.287   6.458 -12.168  1.00  0.86           C  
ATOM     87  O   PRO A   7       2.788   5.354 -11.904  1.00  0.87           O  
ATOM     88  CB  PRO A   7       3.208   7.515 -14.319  1.00  1.48           C  
ATOM     89  CG  PRO A   7       4.663   7.773 -14.652  1.00  1.48           C  
ATOM     90  CD  PRO A   7       5.442   7.101 -13.540  1.00  1.48           C  
ATOM     91  HA  PRO A   7       2.918   8.552 -12.420  1.00  1.18           H  
ATOM     92 1HB  PRO A   7       2.842   6.545 -14.693  1.00  1.78           H  
ATOM     93 2HB  PRO A   7       2.538   8.294 -14.736  1.00  1.78           H  
ATOM     94 1HG  PRO A   7       4.896   7.355 -15.645  1.00  1.78           H  
ATOM     95 2HG  PRO A   7       4.844   8.858 -14.721  1.00  1.78           H  
ATOM     96 1HD  PRO A   7       5.614   6.065 -13.830  1.00  1.78           H  
ATOM     97 2HD  PRO A   7       6.371   7.659 -13.362  1.00  1.78           H  
ATOM     98  N   PRO A   8       1.033   6.777 -11.837  1.00  0.99           N  
ATOM     99  CA  PRO A   8       0.334   8.050 -11.971  1.00  1.08           C  
ATOM    100  C   PRO A   8       0.737   9.110 -10.954  1.00  0.91           C  
ATOM    101  O   PRO A   8       0.524  10.293 -11.193  1.00  1.10           O  
ATOM    102  CB  PRO A   8      -1.123   7.632 -11.747  1.00  1.63           C  
ATOM    103  CG  PRO A   8      -1.036   6.411 -10.844  1.00  1.63           C  
ATOM    104  CD  PRO A   8       0.225   5.693 -11.279  1.00  1.63           C  
ATOM    105  HA  PRO A   8       0.466   8.431 -12.996  1.00  1.30           H  
ATOM    106 1HB  PRO A   8      -1.686   8.459 -11.286  1.00  1.96           H  
ATOM    107 2HB  PRO A   8      -1.606   7.421 -12.713  1.00  1.96           H  
ATOM    108 1HG  PRO A   8      -1.012   6.722  -9.786  1.00  1.96           H  
ATOM    109 2HG  PRO A   8      -1.936   5.790 -10.967  1.00  1.96           H  
ATOM    110 1HD  PRO A   8       0.737   5.244 -10.411  1.00  1.96           H  
ATOM    111 2HD  PRO A   8       0.005   4.944 -12.054  1.00  1.96           H  
ATOM    112  N   CYS A   9       1.354   8.719  -9.842  1.00  0.71           N  
ATOM    113  CA  CYS A   9       1.686   9.669  -8.779  1.00  0.63           C  
ATOM    114  C   CYS A   9       2.578  10.781  -9.291  1.00  0.57           C  
ATOM    115  O   CYS A   9       2.404  11.964  -8.965  1.00  0.52           O  
ATOM    116  CB  CYS A   9       2.398   8.964  -7.657  1.00  0.91           C  
ATOM    117  SG  CYS A   9       1.380   7.837  -6.734  1.00  0.91           S  
ATOM    118  H   CYS A   9       1.564   7.742  -9.668  1.00  0.85           H  
ATOM    119  HA  CYS A   9       0.763  10.094  -8.394  1.00  0.76           H  
ATOM    120 1HB  CYS A   9       3.236   8.404  -8.063  1.00  1.09           H  
ATOM    121 2HB  CYS A   9       2.806   9.689  -6.970  1.00  1.09           H  
ATOM    122  HG  CYS A   9       2.462   7.329  -6.105  1.00  1.09           H  
ATOM    123  N   ALA A  10       3.500  10.393 -10.165  1.00  0.63           N  
ATOM    124  CA  ALA A  10       4.475  11.280 -10.772  1.00  0.65           C  
ATOM    125  C   ALA A  10       3.826  12.436 -11.513  1.00  0.60           C  
ATOM    126  O   ALA A  10       4.447  13.490 -11.683  1.00  0.60           O  
ATOM    127  CB  ALA A  10       5.338  10.539 -11.764  1.00  0.91           C  
ATOM    128  H   ALA A  10       3.569   9.391 -10.349  1.00  0.76           H  
ATOM    129  HA  ALA A  10       5.100  11.663  -9.977  1.00  0.78           H  
ATOM    130 1HB  ALA A  10       6.077  11.219 -12.177  1.00  1.09           H  
ATOM    131 2HB  ALA A  10       5.835   9.733 -11.273  1.00  1.09           H  
ATOM    132 3HB  ALA A  10       4.718  10.154 -12.560  1.00  1.09           H  
ATOM    133  N   GLU A  11       2.606  12.216 -12.004  1.00  0.62           N  
ATOM    134  CA  GLU A  11       1.860  13.185 -12.772  1.00  0.65           C  
ATOM    135  C   GLU A  11       0.811  13.876 -11.892  1.00  0.58           C  
ATOM    136  O   GLU A  11       0.581  15.078 -11.998  1.00  0.60           O  
ATOM    137  CB  GLU A  11       1.186  12.444 -13.927  1.00  0.90           C  
ATOM    138  CG  GLU A  11       2.165  11.782 -14.913  1.00  0.90           C  
ATOM    139  CD  GLU A  11       1.458  10.941 -15.938  1.00  0.90           C  
ATOM    140  OE1 GLU A  11       0.280  10.744 -15.779  1.00  0.90           O  
ATOM    141  OE2 GLU A  11       2.090  10.485 -16.860  1.00  0.90           O  
ATOM    142  H   GLU A  11       2.134  11.344 -11.776  1.00  0.74           H  
ATOM    143  HA  GLU A  11       2.546  13.939 -13.162  1.00  0.78           H  
ATOM    144 1HB  GLU A  11       0.536  11.666 -13.524  1.00  1.08           H  
ATOM    145 2HB  GLU A  11       0.562  13.139 -14.488  1.00  1.08           H  
ATOM    146 1HG  GLU A  11       2.738  12.557 -15.417  1.00  1.08           H  
ATOM    147 2HG  GLU A  11       2.863  11.155 -14.356  1.00  1.08           H  
ATOM    148  N   MET A  12       0.199  13.129 -10.968  1.00  0.54           N  
ATOM    149  CA  MET A  12      -0.848  13.677 -10.102  1.00  0.55           C  
ATOM    150  C   MET A  12      -0.318  14.854  -9.303  1.00  0.50           C  
ATOM    151  O   MET A  12      -0.957  15.922  -9.257  1.00  0.52           O  
ATOM    152  CB  MET A  12      -1.340  12.600  -9.143  1.00  0.77           C  
ATOM    153  CG  MET A  12      -2.149  11.478  -9.779  1.00  0.77           C  
ATOM    154  SD  MET A  12      -2.403  10.069  -8.658  1.00  0.77           S  
ATOM    155  CE  MET A  12      -3.513  10.727  -7.419  1.00  0.77           C  
ATOM    156  H   MET A  12       0.421  12.137 -10.913  1.00  0.65           H  
ATOM    157  HA  MET A  12      -1.672  14.026 -10.725  1.00  0.66           H  
ATOM    158 1HB  MET A  12      -0.480  12.149  -8.658  1.00  0.92           H  
ATOM    159 2HB  MET A  12      -1.942  13.067  -8.374  1.00  0.92           H  
ATOM    160 1HG  MET A  12      -3.125  11.868 -10.062  1.00  0.92           H  
ATOM    161 2HG  MET A  12      -1.666  11.129 -10.677  1.00  0.92           H  
ATOM    162 1HE  MET A  12      -3.740   9.948  -6.689  1.00  0.92           H  
ATOM    163 2HE  MET A  12      -3.051  11.566  -6.909  1.00  0.92           H  
ATOM    164 3HE  MET A  12      -4.439  11.054  -7.896  1.00  0.92           H  
ATOM    165  N   ARG A  13       0.901  14.675  -8.789  1.00  0.49           N  
ATOM    166  CA  ARG A  13       1.598  15.637  -7.957  1.00  0.53           C  
ATOM    167  C   ARG A  13       1.825  16.989  -8.638  1.00  0.51           C  
ATOM    168  O   ARG A  13       2.067  17.990  -7.963  1.00  0.55           O  
ATOM    169  CB  ARG A  13       2.938  15.077  -7.512  1.00  0.73           C  
ATOM    170  CG  ARG A  13       3.935  14.903  -8.625  1.00  0.73           C  
ATOM    171  CD  ARG A  13       5.169  14.259  -8.165  1.00  0.73           C  
ATOM    172  NE  ARG A  13       6.064  13.977  -9.282  1.00  0.73           N  
ATOM    173  CZ  ARG A  13       7.324  13.517  -9.173  1.00  0.73           C  
ATOM    174  NH1 ARG A  13       7.863  13.316  -7.981  1.00  0.73           N  
ATOM    175  NH2 ARG A  13       8.025  13.266 -10.268  1.00  0.73           N  
ATOM    176  H   ARG A  13       1.326  13.747  -8.911  1.00  0.59           H  
ATOM    177  HA  ARG A  13       0.993  15.789  -7.067  1.00  0.64           H  
ATOM    178 1HB  ARG A  13       3.377  15.711  -6.758  1.00  0.88           H  
ATOM    179 2HB  ARG A  13       2.777  14.094  -7.060  1.00  0.88           H  
ATOM    180 1HG  ARG A  13       3.492  14.300  -9.405  1.00  0.88           H  
ATOM    181 2HG  ARG A  13       4.208  15.872  -9.035  1.00  0.88           H  
ATOM    182 1HD  ARG A  13       5.678  14.913  -7.462  1.00  0.88           H  
ATOM    183 2HD  ARG A  13       4.917  13.310  -7.680  1.00  0.88           H  
ATOM    184  HE  ARG A  13       5.672  14.086 -10.237  1.00  0.88           H  
ATOM    185 1HH1 ARG A  13       7.329  13.501  -7.143  1.00  0.88           H  
ATOM    186 2HH1 ARG A  13       8.807  12.964  -7.904  1.00  0.88           H  
ATOM    187 1HH2 ARG A  13       7.614  13.417 -11.183  1.00  0.88           H  
ATOM    188 2HH2 ARG A  13       8.967  12.915 -10.198  1.00  0.88           H  
ATOM    189  N   GLU A  14       1.720  17.078  -9.970  1.00  0.50           N  
ATOM    190  CA  GLU A  14       1.936  18.378 -10.582  1.00  0.55           C  
ATOM    191  C   GLU A  14       0.924  19.382 -10.025  1.00  0.49           C  
ATOM    192  O   GLU A  14       1.243  20.564  -9.880  1.00  0.52           O  
ATOM    193  CB  GLU A  14       1.850  18.314 -12.112  1.00  0.76           C  
ATOM    194  CG  GLU A  14       3.032  17.600 -12.793  1.00  0.76           C  
ATOM    195  CD  GLU A  14       2.920  17.569 -14.311  1.00  0.76           C  
ATOM    196  OE1 GLU A  14       1.860  17.855 -14.812  1.00  0.76           O  
ATOM    197  OE2 GLU A  14       3.902  17.283 -14.959  1.00  0.76           O  
ATOM    198  H   GLU A  14       1.459  16.274 -10.550  1.00  0.60           H  
ATOM    199  HA  GLU A  14       2.934  18.722 -10.317  1.00  0.66           H  
ATOM    200 1HB  GLU A  14       0.936  17.786 -12.395  1.00  0.91           H  
ATOM    201 2HB  GLU A  14       1.781  19.323 -12.516  1.00  0.91           H  
ATOM    202 1HG  GLU A  14       3.956  18.102 -12.513  1.00  0.91           H  
ATOM    203 2HG  GLU A  14       3.080  16.574 -12.415  1.00  0.91           H  
ATOM    204  N   ASP A  15      -0.303  18.922  -9.731  1.00  0.48           N  
ATOM    205  CA  ASP A  15      -1.313  19.793  -9.154  1.00  0.52           C  
ATOM    206  C   ASP A  15      -1.399  19.574  -7.641  1.00  0.48           C  
ATOM    207  O   ASP A  15      -1.692  20.503  -6.883  1.00  0.51           O  
ATOM    208  CB  ASP A  15      -2.687  19.524  -9.764  1.00  0.72           C  
ATOM    209  CG  ASP A  15      -2.777  19.799 -11.253  1.00  0.72           C  
ATOM    210  OD1 ASP A  15      -2.493  20.892 -11.686  1.00  0.72           O  
ATOM    211  OD2 ASP A  15      -3.148  18.890 -11.945  1.00  0.72           O  
ATOM    212  H   ASP A  15      -0.534  17.936  -9.867  1.00  0.58           H  
ATOM    213  HA  ASP A  15      -1.035  20.829  -9.342  1.00  0.62           H  
ATOM    214 1HB  ASP A  15      -2.952  18.479  -9.591  1.00  0.86           H  
ATOM    215 2HB  ASP A  15      -3.431  20.134  -9.253  1.00  0.86           H  
ATOM    216  N   SER A  16      -1.156  18.325  -7.204  1.00  0.48           N  
ATOM    217  CA  SER A  16      -1.322  17.920  -5.806  1.00  0.55           C  
ATOM    218  C   SER A  16      -0.063  17.653  -4.957  1.00  0.53           C  
ATOM    219  O   SER A  16      -0.203  17.158  -3.840  1.00  0.57           O  
ATOM    220  CB  SER A  16      -2.208  16.685  -5.741  1.00  0.74           C  
ATOM    221  OG  SER A  16      -1.629  15.617  -6.424  1.00  0.74           O  
ATOM    222  H   SER A  16      -0.914  17.599  -7.883  1.00  0.58           H  
ATOM    223  HA  SER A  16      -1.866  18.725  -5.313  1.00  0.66           H  
ATOM    224 1HB  SER A  16      -2.376  16.408  -4.702  1.00  0.89           H  
ATOM    225 2HB  SER A  16      -3.178  16.913  -6.177  1.00  0.89           H  
ATOM    226  HG  SER A  16      -2.217  14.864  -6.310  1.00  0.89           H  
ATOM    227  N   ALA A  17       1.151  18.033  -5.379  1.00  0.53           N  
ATOM    228  CA  ALA A  17       2.339  17.732  -4.568  1.00  0.61           C  
ATOM    229  C   ALA A  17       2.224  18.252  -3.146  1.00  0.58           C  
ATOM    230  O   ALA A  17       2.704  17.600  -2.224  1.00  0.64           O  
ATOM    231  CB  ALA A  17       3.590  18.332  -5.183  1.00  0.83           C  
ATOM    232  H   ALA A  17       1.303  18.434  -6.303  1.00  0.64           H  
ATOM    233  HA  ALA A  17       2.450  16.649  -4.533  1.00  0.73           H  
ATOM    234 1HB  ALA A  17       4.454  18.067  -4.571  1.00  1.00           H  
ATOM    235 2HB  ALA A  17       3.735  17.956  -6.185  1.00  1.00           H  
ATOM    236 3HB  ALA A  17       3.493  19.413  -5.220  1.00  1.00           H  
ATOM    237  N   ARG A  18       1.559  19.391  -2.935  1.00  0.55           N  
ATOM    238  CA  ARG A  18       1.429  19.922  -1.579  1.00  0.61           C  
ATOM    239  C   ARG A  18       0.717  18.919  -0.658  1.00  0.60           C  
ATOM    240  O   ARG A  18       0.935  18.923   0.555  1.00  0.66           O  
ATOM    241  CB  ARG A  18       0.612  21.208  -1.580  1.00  0.84           C  
ATOM    242  CG  ARG A  18      -0.884  21.012  -1.887  1.00  0.84           C  
ATOM    243  CD  ARG A  18      -1.608  22.278  -2.070  1.00  0.84           C  
ATOM    244  NE  ARG A  18      -3.048  22.044  -2.231  1.00  0.84           N  
ATOM    245  CZ  ARG A  18      -3.691  21.717  -3.380  1.00  0.84           C  
ATOM    246  NH1 ARG A  18      -3.040  21.570  -4.517  1.00  0.84           N  
ATOM    247  NH2 ARG A  18      -5.003  21.541  -3.355  1.00  0.84           N  
ATOM    248  H   ARG A  18       1.184  19.903  -3.722  1.00  0.66           H  
ATOM    249  HA  ARG A  18       2.427  20.124  -1.185  1.00  0.73           H  
ATOM    250 1HB  ARG A  18       0.693  21.684  -0.603  1.00  1.01           H  
ATOM    251 2HB  ARG A  18       1.020  21.897  -2.317  1.00  1.01           H  
ATOM    252 1HG  ARG A  18      -0.998  20.411  -2.789  1.00  1.01           H  
ATOM    253 2HG  ARG A  18      -1.366  20.509  -1.049  1.00  1.01           H  
ATOM    254 1HD  ARG A  18      -1.464  22.903  -1.189  1.00  1.01           H  
ATOM    255 2HD  ARG A  18      -1.238  22.802  -2.949  1.00  1.01           H  
ATOM    256  HE  ARG A  18      -3.617  22.140  -1.398  1.00  1.01           H  
ATOM    257 1HH1 ARG A  18      -2.039  21.696  -4.563  1.00  1.01           H  
ATOM    258 2HH1 ARG A  18      -3.550  21.332  -5.364  1.00  1.01           H  
ATOM    259 1HH2 ARG A  18      -5.513  21.651  -2.488  1.00  1.01           H  
ATOM    260 2HH2 ARG A  18      -5.497  21.297  -4.202  1.00  1.01           H  
ATOM    261  N   VAL A  19      -0.136  18.067  -1.241  1.00  0.58           N  
ATOM    262  CA  VAL A  19      -0.891  17.079  -0.506  1.00  0.66           C  
ATOM    263  C   VAL A  19       0.074  15.989  -0.160  1.00  0.63           C  
ATOM    264  O   VAL A  19       0.169  15.560   0.984  1.00  0.69           O  
ATOM    265  CB  VAL A  19      -2.053  16.505  -1.342  1.00  0.90           C  
ATOM    266  CG1 VAL A  19      -2.740  15.366  -0.577  1.00  0.90           C  
ATOM    267  CG2 VAL A  19      -3.025  17.639  -1.698  1.00  0.90           C  
ATOM    268  H   VAL A  19      -0.223  18.074  -2.254  1.00  0.70           H  
ATOM    269  HA  VAL A  19      -1.282  17.524   0.407  1.00  0.79           H  
ATOM    270  HB  VAL A  19      -1.661  16.069  -2.252  1.00  1.08           H  
ATOM    271 1HG1 VAL A  19      -3.547  14.961  -1.185  1.00  1.08           H  
ATOM    272 2HG1 VAL A  19      -2.026  14.571  -0.360  1.00  1.08           H  
ATOM    273 3HG1 VAL A  19      -3.148  15.751   0.357  1.00  1.08           H  
ATOM    274 1HG2 VAL A  19      -3.842  17.244  -2.300  1.00  1.08           H  
ATOM    275 2HG2 VAL A  19      -3.424  18.074  -0.784  1.00  1.08           H  
ATOM    276 3HG2 VAL A  19      -2.499  18.403  -2.264  1.00  1.08           H  
ATOM    277  N   TYR A  20       0.842  15.560  -1.149  1.00  0.61           N  
ATOM    278  CA  TYR A  20       1.799  14.498  -0.924  1.00  0.67           C  
ATOM    279  C   TYR A  20       2.735  14.879   0.218  1.00  0.63           C  
ATOM    280  O   TYR A  20       3.029  14.043   1.098  1.00  0.68           O  
ATOM    281  CB  TYR A  20       2.606  14.218  -2.208  1.00  0.91           C  
ATOM    282  CG  TYR A  20       1.894  13.416  -3.280  1.00  0.91           C  
ATOM    283  CD1 TYR A  20       0.784  13.937  -3.920  1.00  0.91           C  
ATOM    284  CD2 TYR A  20       2.379  12.168  -3.656  1.00  0.91           C  
ATOM    285  CE1 TYR A  20       0.145  13.221  -4.882  1.00  0.91           C  
ATOM    286  CE2 TYR A  20       1.725  11.457  -4.643  1.00  0.91           C  
ATOM    287  CZ  TYR A  20       0.606  11.985  -5.240  1.00  0.91           C  
ATOM    288  OH  TYR A  20      -0.062  11.303  -6.205  1.00  0.91           O  
ATOM    289  H   TYR A  20       0.702  15.976  -2.073  1.00  0.73           H  
ATOM    290  HA  TYR A  20       1.252  13.617  -0.625  1.00  0.80           H  
ATOM    291 1HB  TYR A  20       2.893  15.157  -2.647  1.00  1.09           H  
ATOM    292 2HB  TYR A  20       3.520  13.691  -1.950  1.00  1.09           H  
ATOM    293  HD1 TYR A  20       0.403  14.901  -3.657  1.00  1.09           H  
ATOM    294  HD2 TYR A  20       3.267  11.751  -3.173  1.00  1.09           H  
ATOM    295  HE1 TYR A  20      -0.726  13.630  -5.365  1.00  1.09           H  
ATOM    296  HE2 TYR A  20       2.085  10.484  -4.941  1.00  1.09           H  
ATOM    297  HH  TYR A  20      -0.905  11.742  -6.350  1.00  1.09           H  
ATOM    298  N   GLU A  21       3.176  16.145   0.224  1.00  0.61           N  
ATOM    299  CA  GLU A  21       4.062  16.658   1.260  1.00  0.71           C  
ATOM    300  C   GLU A  21       3.409  16.699   2.649  1.00  0.73           C  
ATOM    301  O   GLU A  21       4.027  16.254   3.620  1.00  0.81           O  
ATOM    302  CB  GLU A  21       4.523  18.070   0.886  1.00  0.96           C  
ATOM    303  CG  GLU A  21       5.467  18.131  -0.303  1.00  0.96           C  
ATOM    304  CD  GLU A  21       5.767  19.537  -0.756  1.00  0.96           C  
ATOM    305  OE1 GLU A  21       5.106  20.440  -0.298  1.00  0.96           O  
ATOM    306  OE2 GLU A  21       6.664  19.711  -1.548  1.00  0.96           O  
ATOM    307  H   GLU A  21       2.896  16.761  -0.548  1.00  0.73           H  
ATOM    308  HA  GLU A  21       4.932  16.010   1.314  1.00  0.85           H  
ATOM    309 1HB  GLU A  21       3.651  18.680   0.652  1.00  1.15           H  
ATOM    310 2HB  GLU A  21       5.021  18.526   1.739  1.00  1.15           H  
ATOM    311 1HG  GLU A  21       6.397  17.633  -0.045  1.00  1.15           H  
ATOM    312 2HG  GLU A  21       5.011  17.590  -1.117  1.00  1.15           H  
ATOM    313  N   ASN A  22       2.148  17.160   2.736  1.00  0.72           N  
ATOM    314  CA  ASN A  22       1.443  17.247   4.017  1.00  0.84           C  
ATOM    315  C   ASN A  22       1.016  15.892   4.578  1.00  0.86           C  
ATOM    316  O   ASN A  22       1.003  15.692   5.795  1.00  0.99           O  
ATOM    317  CB  ASN A  22       0.231  18.146   3.888  1.00  1.13           C  
ATOM    318  CG  ASN A  22       0.594  19.603   3.780  1.00  1.13           C  
ATOM    319  OD1 ASN A  22       1.691  20.028   4.166  1.00  1.13           O  
ATOM    320  ND2 ASN A  22      -0.318  20.390   3.270  1.00  1.13           N  
ATOM    321  H   ASN A  22       1.701  17.550   1.898  1.00  0.86           H  
ATOM    322  HA  ASN A  22       2.125  17.687   4.743  1.00  1.01           H  
ATOM    323 1HB  ASN A  22      -0.328  17.858   2.992  1.00  1.36           H  
ATOM    324 2HB  ASN A  22      -0.423  18.002   4.745  1.00  1.36           H  
ATOM    325 1HD2 ASN A  22      -0.135  21.368   3.177  1.00  1.36           H  
ATOM    326 2HD2 ASN A  22      -1.192  20.014   2.967  1.00  1.36           H  
ATOM    327  N   VAL A  23       0.656  14.974   3.689  1.00  0.80           N  
ATOM    328  CA  VAL A  23       0.232  13.630   4.045  1.00  0.90           C  
ATOM    329  C   VAL A  23       1.415  12.765   4.451  1.00  0.87           C  
ATOM    330  O   VAL A  23       1.328  11.994   5.407  1.00  1.02           O  
ATOM    331  CB  VAL A  23      -0.545  12.968   2.885  1.00  1.22           C  
ATOM    332  CG1 VAL A  23      -0.838  11.483   3.193  1.00  1.22           C  
ATOM    333  CG2 VAL A  23      -1.857  13.713   2.685  1.00  1.22           C  
ATOM    334  H   VAL A  23       0.661  15.242   2.705  1.00  0.96           H  
ATOM    335  HA  VAL A  23      -0.441  13.706   4.898  1.00  1.08           H  
ATOM    336  HB  VAL A  23       0.049  13.026   1.973  1.00  1.46           H  
ATOM    337 1HG1 VAL A  23      -1.394  11.045   2.365  1.00  1.46           H  
ATOM    338 2HG1 VAL A  23       0.092  10.928   3.327  1.00  1.46           H  
ATOM    339 3HG1 VAL A  23      -1.432  11.412   4.105  1.00  1.46           H  
ATOM    340 1HG2 VAL A  23      -2.409  13.265   1.862  1.00  1.46           H  
ATOM    341 2HG2 VAL A  23      -2.449  13.652   3.597  1.00  1.46           H  
ATOM    342 3HG2 VAL A  23      -1.658  14.758   2.460  1.00  1.46           H  
ATOM    343  N   GLY A  24       2.501  12.842   3.679  1.00  0.78           N  
ATOM    344  CA  GLY A  24       3.678  12.034   3.906  1.00  0.82           C  
ATOM    345  C   GLY A  24       3.901  11.062   2.754  1.00  0.82           C  
ATOM    346  O   GLY A  24       4.791  10.210   2.823  1.00  0.94           O  
ATOM    347  H   GLY A  24       2.532  13.481   2.889  1.00  0.94           H  
ATOM    348 1HA  GLY A  24       4.543  12.690   4.014  1.00  0.98           H  
ATOM    349 2HA  GLY A  24       3.572  11.485   4.840  1.00  0.98           H  
ATOM    350  N   LEU A  25       3.112  11.200   1.675  1.00  0.78           N  
ATOM    351  CA  LEU A  25       3.220  10.325   0.510  1.00  0.89           C  
ATOM    352  C   LEU A  25       4.578  10.565  -0.094  1.00  0.83           C  
ATOM    353  O   LEU A  25       5.233   9.638  -0.573  1.00  0.95           O  
ATOM    354  CB  LEU A  25       2.142  10.654  -0.515  1.00  1.21           C  
ATOM    355  CG  LEU A  25       0.676  10.396  -0.110  1.00  1.21           C  
ATOM    356  CD1 LEU A  25      -0.254  10.957  -1.193  1.00  1.21           C  
ATOM    357  CD2 LEU A  25       0.420   8.914   0.080  1.00  1.21           C  
ATOM    358  H   LEU A  25       2.474  11.989   1.631  1.00  0.94           H  
ATOM    359  HA  LEU A  25       3.157   9.285   0.820  1.00  1.07           H  
ATOM    360 1HB  LEU A  25       2.243  11.673  -0.760  1.00  1.45           H  
ATOM    361 2HB  LEU A  25       2.339  10.090  -1.404  1.00  1.45           H  
ATOM    362  HG  LEU A  25       0.477  10.907   0.807  1.00  1.45           H  
ATOM    363 1HD1 LEU A  25      -1.290  10.791  -0.898  1.00  1.45           H  
ATOM    364 2HD1 LEU A  25      -0.097  12.013  -1.325  1.00  1.45           H  
ATOM    365 3HD1 LEU A  25      -0.061  10.447  -2.139  1.00  1.45           H  
ATOM    366 1HD2 LEU A  25      -0.619   8.767   0.370  1.00  1.45           H  
ATOM    367 2HD2 LEU A  25       0.602   8.403  -0.852  1.00  1.45           H  
ATOM    368 3HD2 LEU A  25       1.065   8.505   0.854  1.00  1.45           H  
ATOM    369  N   MET A  26       5.003  11.828  -0.009  1.00  0.81           N  
ATOM    370  CA  MET A  26       6.271  12.301  -0.517  1.00  0.93           C  
ATOM    371  C   MET A  26       7.444  11.590   0.158  1.00  0.98           C  
ATOM    372  O   MET A  26       8.539  11.532  -0.401  1.00  1.22           O  
ATOM    373  CB  MET A  26       6.385  13.806  -0.281  1.00  1.25           C  
ATOM    374  CG  MET A  26       7.507  14.506  -1.043  1.00  1.25           C  
ATOM    375  SD  MET A  26       7.259  14.436  -2.843  1.00  1.25           S  
ATOM    376  CE  MET A  26       6.022  15.718  -3.126  1.00  1.25           C  
ATOM    377  H   MET A  26       4.366  12.522   0.392  1.00  0.97           H  
ATOM    378  HA  MET A  26       6.318  12.089  -1.583  1.00  1.12           H  
ATOM    379 1HB  MET A  26       5.458  14.282  -0.550  1.00  1.50           H  
ATOM    380 2HB  MET A  26       6.543  13.988   0.783  1.00  1.50           H  
ATOM    381 1HG  MET A  26       7.556  15.548  -0.741  1.00  1.50           H  
ATOM    382 2HG  MET A  26       8.465  14.040  -0.810  1.00  1.50           H  
ATOM    383 1HE  MET A  26       5.774  15.760  -4.187  1.00  1.50           H  
ATOM    384 2HE  MET A  26       5.137  15.505  -2.560  1.00  1.50           H  
ATOM    385 3HE  MET A  26       6.425  16.684  -2.813  1.00  1.50           H  
ATOM    386  N   GLN A  27       7.252  11.097   1.393  1.00  1.03           N  
ATOM    387  CA  GLN A  27       8.344  10.443   2.078  1.00  1.23           C  
ATOM    388  C   GLN A  27       8.290   8.961   1.749  1.00  1.22           C  
ATOM    389  O   GLN A  27       9.316   8.308   1.577  1.00  1.45           O  
ATOM    390  CB  GLN A  27       8.245  10.661   3.587  1.00  1.64           C  
ATOM    391  CG  GLN A  27       8.273  12.131   4.010  1.00  1.64           C  
ATOM    392  CD  GLN A  27       9.500  12.872   3.522  1.00  1.64           C  
ATOM    393  OE1 GLN A  27      10.651  12.404   3.637  1.00  1.64           O  
ATOM    394  NE2 GLN A  27       9.258  14.057   2.973  1.00  1.64           N  
ATOM    395  H   GLN A  27       6.336  11.111   1.835  1.00  1.24           H  
ATOM    396  HA  GLN A  27       9.289  10.841   1.714  1.00  1.48           H  
ATOM    397 1HB  GLN A  27       7.313  10.225   3.953  1.00  1.97           H  
ATOM    398 2HB  GLN A  27       9.066  10.149   4.085  1.00  1.97           H  
ATOM    399 1HG  GLN A  27       7.393  12.627   3.599  1.00  1.97           H  
ATOM    400 2HG  GLN A  27       8.254  12.183   5.100  1.00  1.97           H  
ATOM    401 1HE2 GLN A  27      10.003  14.623   2.626  1.00  1.97           H  
ATOM    402 2HE2 GLN A  27       8.317  14.397   2.917  1.00  1.97           H  
ATOM    403  N   GLN A  28       7.076   8.431   1.567  1.00  1.12           N  
ATOM    404  CA  GLN A  28       6.912   7.019   1.234  1.00  1.30           C  
ATOM    405  C   GLN A  28       7.597   6.718  -0.098  1.00  1.34           C  
ATOM    406  O   GLN A  28       8.237   5.672  -0.255  1.00  1.70           O  
ATOM    407  CB  GLN A  28       5.439   6.639   1.149  1.00  1.74           C  
ATOM    408  CG  GLN A  28       4.696   6.630   2.462  1.00  1.74           C  
ATOM    409  CD  GLN A  28       3.253   6.281   2.252  1.00  1.74           C  
ATOM    410  OE1 GLN A  28       2.860   6.025   1.106  1.00  1.74           O  
ATOM    411  NE2 GLN A  28       2.462   6.253   3.317  1.00  1.74           N  
ATOM    412  H   GLN A  28       6.257   9.012   1.760  1.00  1.34           H  
ATOM    413  HA  GLN A  28       7.389   6.419   2.008  1.00  1.56           H  
ATOM    414 1HB  GLN A  28       4.936   7.344   0.500  1.00  2.09           H  
ATOM    415 2HB  GLN A  28       5.352   5.670   0.701  1.00  2.09           H  
ATOM    416 1HG  GLN A  28       5.146   5.891   3.122  1.00  2.09           H  
ATOM    417 2HG  GLN A  28       4.754   7.622   2.909  1.00  2.09           H  
ATOM    418 1HE2 GLN A  28       1.492   6.017   3.216  1.00  2.09           H  
ATOM    419 2HE2 GLN A  28       2.829   6.464   4.227  1.00  2.09           H  
ATOM    420  N   GLN A  29       7.543   7.689  -1.019  1.00  1.28           N  
ATOM    421  CA  GLN A  29       8.135   7.597  -2.354  1.00  1.50           C  
ATOM    422  C   GLN A  29       9.649   7.357  -2.324  1.00  1.35           C  
ATOM    423  O   GLN A  29      10.228   6.832  -3.278  1.00  1.72           O  
ATOM    424  CB  GLN A  29       7.802   8.871  -3.159  1.00  2.01           C  
ATOM    425  CG  GLN A  29       6.336   8.950  -3.583  1.00  2.01           C  
ATOM    426  CD  GLN A  29       5.907  10.238  -4.303  1.00  2.01           C  
ATOM    427  OE1 GLN A  29       6.274  11.355  -3.945  1.00  2.01           O  
ATOM    428  NE2 GLN A  29       5.115  10.070  -5.350  1.00  2.01           N  
ATOM    429  H   GLN A  29       6.978   8.516  -0.789  1.00  1.54           H  
ATOM    430  HA  GLN A  29       7.678   6.754  -2.864  1.00  1.80           H  
ATOM    431 1HB  GLN A  29       8.014   9.747  -2.542  1.00  2.41           H  
ATOM    432 2HB  GLN A  29       8.427   8.932  -4.029  1.00  2.41           H  
ATOM    433 1HG  GLN A  29       6.165   8.138  -4.252  1.00  2.41           H  
ATOM    434 2HG  GLN A  29       5.717   8.815  -2.727  1.00  2.41           H  
ATOM    435 1HE2 GLN A  29       4.791  10.861  -5.868  1.00  2.41           H  
ATOM    436 2HE2 GLN A  29       4.857   9.119  -5.646  1.00  2.41           H  
ATOM    437  N   LYS A  30      10.309   7.734  -1.234  1.00  1.52           N  
ATOM    438  CA  LYS A  30      11.747   7.561  -1.107  1.00  1.85           C  
ATOM    439  C   LYS A  30      12.131   6.083  -1.004  1.00  1.75           C  
ATOM    440  O   LYS A  30      13.261   5.696  -1.328  1.00  2.24           O  
ATOM    441  CB  LYS A  30      12.262   8.348   0.094  1.00  2.46           C  
ATOM    442  CG  LYS A  30      12.213   9.856  -0.108  1.00  2.46           C  
ATOM    443  CD  LYS A  30      12.650  10.612   1.133  1.00  2.46           C  
ATOM    444  CE  LYS A  30      12.701  12.117   0.868  1.00  2.46           C  
ATOM    445  NZ  LYS A  30      12.986  12.893   2.104  1.00  2.46           N  
ATOM    446  H   LYS A  30       9.800   8.108  -0.431  1.00  1.82           H  
ATOM    447  HA  LYS A  30      12.216   7.969  -1.999  1.00  2.22           H  
ATOM    448 1HB  LYS A  30      11.675   8.099   0.973  1.00  2.95           H  
ATOM    449 2HB  LYS A  30      13.282   8.066   0.301  1.00  2.95           H  
ATOM    450 1HG  LYS A  30      12.856  10.127  -0.945  1.00  2.95           H  
ATOM    451 2HG  LYS A  30      11.186  10.148  -0.351  1.00  2.95           H  
ATOM    452 1HD  LYS A  30      11.934  10.424   1.940  1.00  2.95           H  
ATOM    453 2HD  LYS A  30      13.633  10.267   1.451  1.00  2.95           H  
ATOM    454 1HE  LYS A  30      13.488  12.311   0.143  1.00  2.95           H  
ATOM    455 2HE  LYS A  30      11.744  12.448   0.454  1.00  2.95           H  
ATOM    456 1HZ  LYS A  30      13.022  13.877   1.889  1.00  2.95           H  
ATOM    457 2HZ  LYS A  30      12.215  12.719   2.771  1.00  2.95           H  
ATOM    458 3HZ  LYS A  30      13.862  12.607   2.507  1.00  2.95           H  
ATOM    459  N   SER A  31      11.174   5.234  -0.610  1.00  1.70           N  
ATOM    460  CA  SER A  31      11.408   3.807  -0.420  1.00  1.96           C  
ATOM    461  C   SER A  31      11.574   3.077  -1.748  1.00  1.84           C  
ATOM    462  O   SER A  31      11.962   1.909  -1.778  1.00  2.20           O  
ATOM    463  CB  SER A  31      10.277   3.176   0.374  1.00  2.64           C  
ATOM    464  OG  SER A  31       9.089   3.160  -0.356  1.00  2.64           O  
ATOM    465  H   SER A  31      10.232   5.580  -0.419  1.00  2.04           H  
ATOM    466  HA  SER A  31      12.328   3.686   0.150  1.00  2.35           H  
ATOM    467 1HB  SER A  31      10.554   2.158   0.639  1.00  3.17           H  
ATOM    468 2HB  SER A  31      10.128   3.730   1.299  1.00  3.17           H  
ATOM    469  HG  SER A  31       8.717   4.060  -0.290  1.00  3.17           H  
ATOM    470  N   PHE A  32      11.278   3.763  -2.851  1.00  2.00           N  
ATOM    471  CA  PHE A  32      11.382   3.200  -4.179  1.00  2.26           C  
ATOM    472  C   PHE A  32      12.658   3.628  -4.914  1.00  2.30           C  
ATOM    473  O   PHE A  32      12.786   3.379  -6.114  1.00  2.85           O  
ATOM    474  CB  PHE A  32      10.177   3.637  -4.986  1.00  3.06           C  
ATOM    475  CG  PHE A  32       8.861   3.050  -4.565  1.00  3.06           C  
ATOM    476  CD1 PHE A  32       8.120   3.617  -3.543  1.00  3.06           C  
ATOM    477  CD2 PHE A  32       8.325   1.965  -5.240  1.00  3.06           C  
ATOM    478  CE1 PHE A  32       6.903   3.109  -3.202  1.00  3.06           C  
ATOM    479  CE2 PHE A  32       7.092   1.460  -4.891  1.00  3.06           C  
ATOM    480  CZ  PHE A  32       6.384   2.037  -3.872  1.00  3.06           C  
ATOM    481  H   PHE A  32      10.966   4.736  -2.775  1.00  2.40           H  
ATOM    482  HA  PHE A  32      11.385   2.113  -4.094  1.00  2.71           H  
ATOM    483 1HB  PHE A  32      10.102   4.706  -4.868  1.00  3.67           H  
ATOM    484 2HB  PHE A  32      10.331   3.429  -6.043  1.00  3.67           H  
ATOM    485  HD1 PHE A  32       8.508   4.478  -3.002  1.00  3.67           H  
ATOM    486  HD2 PHE A  32       8.887   1.513  -6.060  1.00  3.67           H  
ATOM    487  HE1 PHE A  32       6.337   3.566  -2.398  1.00  3.67           H  
ATOM    488  HE2 PHE A  32       6.672   0.610  -5.427  1.00  3.67           H  
ATOM    489  HZ  PHE A  32       5.403   1.649  -3.592  1.00  3.67           H  
ATOM    490  N   ARG A  33      13.587   4.285  -4.207  1.00  2.39           N  
ATOM    491  CA  ARG A  33      14.833   4.725  -4.834  1.00  2.83           C  
ATOM    492  C   ARG A  33      15.816   3.574  -5.023  1.00  3.24           C  
ATOM    493  O   ARG A  33      16.696   3.659  -5.880  1.00  3.74           O  
ATOM    494  OXT ARG A  33      15.949   2.760  -4.110  1.00  4.25           O  
ATOM    495  CB  ARG A  33      15.507   5.812  -4.017  1.00  3.56           C  
ATOM    496  CG  ARG A  33      14.763   7.129  -3.960  1.00  3.56           C  
ATOM    497  CD  ARG A  33      15.451   8.110  -3.077  1.00  3.56           C  
ATOM    498  NE  ARG A  33      15.476   7.664  -1.677  1.00  3.56           N  
ATOM    499  CZ  ARG A  33      16.167   8.264  -0.675  1.00  3.56           C  
ATOM    500  NH1 ARG A  33      16.891   9.344  -0.913  1.00  3.56           N  
ATOM    501  NH2 ARG A  33      16.119   7.762   0.555  1.00  3.56           N  
ATOM    502  H   ARG A  33      13.427   4.489  -3.217  1.00  2.87           H  
ATOM    503  HA  ARG A  33      14.593   5.137  -5.815  1.00  3.40           H  
ATOM    504 1HB  ARG A  33      15.634   5.457  -2.996  1.00  4.27           H  
ATOM    505 2HB  ARG A  33      16.499   6.008  -4.421  1.00  4.27           H  
ATOM    506 1HG  ARG A  33      14.705   7.549  -4.963  1.00  4.27           H  
ATOM    507 2HG  ARG A  33      13.759   6.960  -3.585  1.00  4.27           H  
ATOM    508 1HD  ARG A  33      16.477   8.239  -3.419  1.00  4.27           H  
ATOM    509 2HD  ARG A  33      14.922   9.062  -3.123  1.00  4.27           H  
ATOM    510  HE  ARG A  33      14.924   6.821  -1.442  1.00  4.27           H  
ATOM    511 1HH1 ARG A  33      16.934   9.733  -1.843  1.00  4.27           H  
ATOM    512 2HH1 ARG A  33      17.405   9.785  -0.164  1.00  4.27           H  
ATOM    513 1HH2 ARG A  33      15.573   6.931   0.749  1.00  4.27           H  
ATOM    514 2HH2 ARG A  33      16.631   8.204   1.302  1.00  4.27           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 -178.836 18.6016 143.115 -8.98917 2.22199 6.24052 71.7154 -71.4486 -0.44523 -3.50462 -56.723 -5.38262 -24.9011 -2.32434 -7.7899 -2.00518 0 -0.08248 1.6223 16.5495 27.5467 -7.38171 7.196 -13.9038 -6.8288 19.7508 -75.987
PRO:NtermProteinFull_1 -0.83248 0.20683 0.80878 -0.22487 0.02268 0.16338 0.09635 -0.2836 -0.01374 -0.15923 0.17031 -0.12274 0 0 0 0 0 0.04726 0.0959 0.10336 0 0 0 -2.4119 0 0.73538 -1.59833
PRO_2 -3.60045 0.47574 1.66171 -0.18659 0.00078 0.13183 0.39493 -0.76716 -0 -0 -0.55254 0.08226 0 0 0 0 0 0.00284 0.00931 0.49835 0 -0.98896 0 -2.4119 -0.23299 0.92593 -4.55689
CYS_3 -7.30673 0.76829 3.55695 -0.09792 0.0039 0.05475 1.7548 -1.79966 -0 -0 -1.88298 -0.10708 0 0 -0.91615 0 0 -0.02102 0.00286 0.38905 0 -0.02842 0 3.6196 -0.44587 0.41433 -2.04129
THR_4 -6.63756 0.90459 4.09418 -0.2331 0.24248 0.09854 2.74442 -2.24077 -0 -0 -2.58588 -1.10603 0 0 -1.78262 -0.11935 0 0.54475 0.06006 1.88962 0 0.22472 2.4801 -1.0874 -0.30962 1.04208 -1.77679
PRO_5 -5.58957 1.00353 2.12896 -0.11328 0.00849 0.0706 1.05124 -0.98644 -0 -0 -0.16273 0.67211 0 0 0 0 0 -0.0329 0.00199 0.25293 0 0.13953 0 -2.4119 0.01621 0.96375 -2.98748
THR_6 -5.32321 0.73277 4.70147 -0.11815 0.10076 0.0733 3.1404 -2.35446 -0.0004 -0.00503 -3.76563 -0.42741 0 0 -1.45604 -0.11935 0 0.45767 0.1302 0.0594 0 -0.52514 2.26304 -1.0874 0.00118 1.40622 -2.11583
PRO_7 -3.85791 0.68664 1.92485 -0.13352 0 0.09773 0.80279 -0.95047 -0 -0 -0.76897 0.22611 0 0 -0.54758 0 0 0.00023 0.01355 0.1687 0 -1.16725 0 -2.4119 -0.33566 2.00496 -4.2477
PRO_8 -4.23111 0.47907 3.21536 -0.09331 0.00092 0.05841 1.81456 -1.44338 -0.02113 -0.18003 -2.02241 0.73508 0 0 0 0 0 -0.01289 0.0113 0.31914 0 0.11799 0 -2.4119 -0.17471 0.99249 -2.84653
CYS_9 -7.92604 0.79786 5.25984 -0.04248 0 0.01686 3.18391 -2.57501 -0.01065 -0.11328 -2.13327 -0.24718 0 0 0 0 0 -0.05617 0.00223 0.29689 0 0.27547 0 3.6196 0.14955 0.5263 1.0244
ALA_10 -5.41039 0.66878 3.54072 -0.02523 0.00051 0 1.64451 -2.28214 -0 -0 -1.48328 -0.40487 0 0 -0.64859 0 0 -0.12175 0 0 0 -0.30282 0 1.8394 -0.20445 0.48501 -2.70458
GLU_11 -4.47623 0.36265 4.96411 -0.21126 0.06655 0.34354 2.01262 -2.20945 -0.0475 -0.30111 -1.34663 -0.56277 0 0 0 0 0 -0.02752 0.10487 0 2.98587 -0.11338 0 -2.7348 -0.18108 0.39207 -0.97946
MET_12 -6.06096 0.41138 6.07577 -0.31611 0.07745 0.02842 3.10583 -2.61371 -0.01127 -0.08922 -2.09567 0.05537 0 0 0 0 0 -0.04032 0.17821 1.07963 0 0.02174 0 0.60916 0.15183 0.48133 1.04887
ARG_13 -7.80526 0.86929 6.91501 -0.58781 0.11297 0.34881 3.19164 -3.57326 -0.03503 -0.2932 -2.80434 0.53177 0 0 -0.64859 0 0 -0.12666 0.04373 2.13344 0 -0.0592 0 -1.2888 -0.10052 0.66594 -2.51008
GLU_14 -2.90533 0.30517 3.89612 -0.20555 0.01829 0.26892 1.44839 -1.69983 -0 -0 -0.59178 -0.57574 0 0 0 0 0 0.06801 0.03938 0 3.07955 -0.33003 0 -2.7348 -0.4731 0.47745 0.08516
ASP_15 -2.16524 0.24444 3.39805 -0.1056 0.00074 0.32029 1.22282 -1.51529 -0.05355 -0.36454 -1.04748 -0.2991 0 0 0 0 0 -0.01173 0.00334 0 1.93664 -0.16045 0 -2.3716 -0.34497 0.23604 -1.07718
SER_16 -5.2864 0.57554 5.35722 -0.03418 0.02663 0.06016 3.04553 -2.71682 -0.01937 -0.23028 -2.05142 -0.77057 0 0 0 0 0 -0.04466 0.00051 0.47749 0 0.0246 0.6038 -0.77834 -0.02177 0.85179 -0.93056
ALA_17 -5.05847 0.66927 4.49468 -0.02368 0 0 3.15978 -2.5802 -0 -0 -2.13557 -0.36342 0 0 0 0 0 -0.06953 0 0 0 -0.42708 0 1.8394 -0.25922 0.89899 0.14496
ARG_18 -4.75904 0.33254 5.03637 -0.7511 0.14307 0.50132 1.66606 -2.46997 -0.02091 -0.15836 -1.77845 0.3187 0 0 0 0 0 -0.103 0.12218 1.99822 0 -0.16119 0 -1.2888 -0.49694 0.36117 -1.50813
VAL_19 -6.09744 0.80551 4.85489 -0.29357 0.17021 0.0646 3.13908 -2.74584 -0.00757 -0.03828 -2.29441 -0.13265 0 0 0 0 0 -0.02345 0.00588 0.14765 0 -0.41169 0 1.9342 -0.24386 0.43984 -0.72689
TYR_20 -12.2787 1.00752 6.18051 -0.55702 0.18902 0.24914 3.82838 -3.81056 -0.02581 -0.2181 -3.2404 -0.17766 0 0 0 0 0 0.00461 0.0428 0 4.16612 -0.09766 0.09057 1.2797 -0.06555 0.49601 -2.93703
GLU_21 -5.21185 0.31262 5.38521 -0.21521 0.04094 0.31119 1.56825 -2.49291 -0.02091 -0.15836 -1.1335 -0.56279 0 0 0 0 0 -0.01293 0.03879 0 3.07487 -0.15507 0 -2.7348 -0.23666 0.43353 -1.76958
ASN_22 -2.9848 0.04132 3.55475 -0.18027 0.03301 0.2736 1.45365 -1.75117 -0 -0 -0.70594 -0.27839 0 0 0 0 0 0.03021 7e-05 0 1.49195 0.21429 0 -0.93687 -0.10307 0.29038 0.44273
VAL_23 -3.83033 0.27063 2.34445 -0.31335 0.20874 0.07223 1.44629 -1.49391 -0 -0 -0.84368 -0.2601 0 0 0 0 0 -0.02204 0.01083 0.25368 0 -0.37364 0 1.9342 0.0372 0.18709 -0.3717
GLY_24 -3.51928 0.29119 4.02911 -8e-05 0 0 2.33673 -2.02204 -0.04329 -0.16898 -1.73512 -0.34471 0 0 0 0 0 -0.15728 0 0 0 -1.54093 0 0.83697 0.09201 0.28124 -1.66446
LEU_25 -8.37443 1.02967 4.14763 -0.47717 0.19252 0.1061 2.87686 -2.54646 -0.00883 -0.10425 -1.08793 0.18366 0 0 0 0 0 -0.02489 0.06914 0.28056 0 -0.31083 0 0.18072 -0.08459 0.52103 -3.4315
MET_26 -6.9288 0.57129 4.50041 -0.65278 0.19407 0.36584 1.33781 -2.34978 -0.03586 -0.13316 -0.22296 -0.3243 0 0 0 0 0 -0.10059 0.15331 2.05375 0 -0.12912 0 0.60916 -0.33544 0.53385 -0.8933
GLN_27 -4.98834 0.45777 5.73566 -0.63342 0.07092 0.72158 2.7328 -2.56795 -0 -0 -2.47258 -0.50479 0 0 0 -0.88324 0 0.0859 0.16302 0 2.56921 -0.1503 0 -0.18838 -0.11774 0.40627 0.4364
GLN_28 -6.96094 0.44149 6.42811 -0.27569 0.04668 0.20357 3.93561 -3.08524 -0.02242 -0.26103 -3.87757 -0.50224 0 0 -0.91615 0 0 -0.03839 0.00566 0 2.92139 -0.23879 0 -0.18838 -0.16739 0.4147 -2.13702
GLN_29 -9.88232 1.08429 7.85199 -0.24435 0.02451 0.17592 3.40259 -3.66199 -0.02294 -0.25938 -2.936 -0.412 0 0 -0.87416 0 0 -0.11253 0.07474 0 2.96099 -0.13168 0 -0.18838 -0.39232 0.5007 -3.04232
LYS_30 -5.91052 0.53229 6.77389 -0.31593 0.03637 0.15277 3.39165 -2.8488 -0.01201 -0.13441 -3.50499 -0.08322 0 0 0 -0.88324 0 -0.05695 0.14733 1.92854 0 -0.04003 0 -1.5107 -0.49535 0.44131 -2.39199
SER_31 -2.97808 0.2159 3.54967 -0.03981 0.00087 0.05447 2.07637 -1.6581 -0 -0 -1.5226 -0.34486 0 0 0 0 0 -0.04843 0.00566 0.18672 0 -0.36344 1.75849 -0.77834 -0.57571 0.25412 -0.2071
PHE_32 -6.60188 0.93626 3.229 -0.59476 0.08852 0.31633 1.34218 -1.93552 -0 -0 -1.00603 -0.04358 0 0 0 0 0 -0.05833 0.07375 0 2.36011 -0.19295 0 1.0402 -0.57905 0.31832 -1.30742
ARG:CtermProteinFull_33 -3.05624 0.10948 3.51959 -0.69205 0.09936 0.53632 1.36659 -1.41677 -0.01201 -0.13441 -1.1006 0.7705 0 0 0 0 0 0 0.01172 2.03236 0 0 0 -1.2888 -0.29915 0.37115 0.81705
#END_POSE_ENERGIES_TABLE best_scoring0001_0001.pdb

ENDMDL

REMARK ID 700636 DOMAINID 691034 MODEL 2 SHP2 560-593 AB
MODEL     2
REMARK    Rerank model03.pdb to model02.pdb score: 20.738
REMARK    CLUSTER 0003 t000_.out.valid.rescored.best_scoring.binary cluster_size: 10 cluster_threshold: 1.630932
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE     total_score:         -33.918
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE            time:           0.000
REMARK    SCORE     hbond_bb_sc:          -8.999
REMARK    SCORE     hbond_sr_bb:         -14.865
REMARK    SCORE          fa_sol:         111.556
REMARK    SCORE     description: cluster0003_0001
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     cart_bonded:          31.623
REMARK    SCORE          fa_dun:          40.922
REMARK    SCORE          fa_atr:        -152.384
REMARK    SCORE           omega:           1.083
REMARK    SCORE     hbond_lr_bb:          -1.282
REMARK    SCORE          fa_rep:          15.941
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     lk_ball_wtd:          -6.347
REMARK    SCORE             ref:          -1.484
REMARK    SCORE         p_aa_pp:          -4.400
REMARK    SCORE     rama_prepro:          -5.117
REMARK    SCORE         fa_elec:         -42.765
REMARK    SCORE fa_intra_sol_xover4:           6.955
REMARK    SCORE        hbond_sc:          -4.644
REMARK    SCORE           score:         -33.918
REMARK    SCORE    fa_intra_rep:           0.288
ATOM      1  N   PRO A   1      -0.000  -0.393  -0.216  1.00  4.560          N  
ATOM      2  CA  PRO A   1       1.156  -0.122  -1.065  1.00  4.010          C  
ATOM      3  C   PRO A   1       1.699   1.293  -0.850  1.00  3.120          C  
ATOM      4  O   PRO A   1       1.005   2.257  -1.177  1.00  3.200          O  
ATOM      5  CB  PRO A   1       0.592  -0.276  -2.478  1.00  6.010          C  
ATOM      6  CG  PRO A   1      -0.854   0.106  -2.364  1.00  6.010          C  
ATOM      7  CD  PRO A   1      -1.269  -0.279  -0.956  1.00  6.010          C  
ATOM      8  HA  PRO A   1       1.928  -0.888  -0.900  1.00  4.810          H  
ATOM      9 1HB  PRO A   1       1.150   0.369  -3.167  1.00  7.220          H  
ATOM     10 2HB  PRO A   1       0.735  -1.308  -2.830  1.00  7.220          H  
ATOM     11 1HG  PRO A   1      -0.980   1.180  -2.558  1.00  7.220          H  
ATOM     12 2HG  PRO A   1      -1.437  -0.419  -3.132  1.00  7.220          H  
ATOM     13 1HD  PRO A   1      -1.885   0.516  -0.510  1.00  7.220          H  
ATOM     14 2HD  PRO A   1      -1.792  -1.246  -0.957  1.00  7.220          H  
ATOM     15 1H   PRO A   1      -0.192   0.331   0.537  1.00  7.220          H  
ATOM     16 2H   PRO A   1      -0.098  -1.274   0.232  1.00  7.220          H  
ATOM     17  N   PRO A   2       2.821   1.454  -0.148  1.00  2.820          N  
ATOM     18  CA  PRO A   2       3.587   2.677  -0.086  1.00  2.530          C  
ATOM     19  C   PRO A   2       4.175   2.993  -1.451  1.00  2.160          C  
ATOM     20  O   PRO A   2       4.520   2.080  -2.205  1.00  2.340          O  
ATOM     21  CB  PRO A   2       4.698   2.339   0.921  1.00  3.790          C  
ATOM     22  CG  PRO A   2       4.171   1.149   1.705  1.00  3.790          C  
ATOM     23  CD  PRO A   2       3.339   0.372   0.707  1.00  3.790          C  
ATOM     24  HA  PRO A   2       2.954   3.499   0.274  1.00  3.040          H  
ATOM     25 1HB  PRO A   2       5.631   2.122   0.380  1.00  4.550          H  
ATOM     26 2HB  PRO A   2       4.899   3.215   1.557  1.00  4.550          H  
ATOM     27 1HG  PRO A   2       5.015   0.562   2.105  1.00  4.550          H  
ATOM     28 2HG  PRO A   2       3.590   1.495   2.573  1.00  4.550          H  
ATOM     29 1HD  PRO A   2       3.984  -0.307   0.122  1.00  4.550          H  
ATOM     30 2HD  PRO A   2       2.534  -0.157   1.233  1.00  4.550          H  
ATOM     31  N   CYS A   3       4.325   4.269  -1.728  1.00  2.010          N  
ATOM     32  CA  CYS A   3       5.004   4.793  -2.903  1.00  1.920          C  
ATOM     33  C   CYS A   3       6.488   4.860  -2.588  1.00  1.770          C  
ATOM     34  O   CYS A   3       6.864   5.444  -1.569  1.00  2.470          O  
ATOM     35  CB  CYS A   3       4.486   6.174  -3.249  1.00  2.720          C  
ATOM     36  SG  CYS A   3       5.220   6.895  -4.701  1.00  2.720          S  
ATOM     37  H   CYS A   3       3.950   4.935  -1.056  1.00  2.410          H  
ATOM     38  HA  CYS A   3       4.849   4.123  -3.748  1.00  2.300          H  
ATOM     39 1HB  CYS A   3       3.426   6.117  -3.395  1.00  3.270          H  
ATOM     40 2HB  CYS A   3       4.666   6.845  -2.413  1.00  3.270          H  
ATOM     41  HG  CYS A   3       6.513   6.797  -4.301  1.00  3.270          H  
ATOM     42  N   THR A   4       7.338   4.282  -3.426  1.00  1.540          N  
ATOM     43  CA  THR A   4       8.755   4.301  -3.109  1.00  1.770          C  
ATOM     44  C   THR A   4       9.325   5.678  -3.468  1.00  1.450          C  
ATOM     45  O   THR A   4       8.666   6.438  -4.182  1.00  1.920          O  
ATOM     46  CB  THR A   4       9.511   3.232  -3.939  1.00  2.390          C  
ATOM     47  OG1 THR A   4       9.451   3.588  -5.337  1.00  2.390          O  
ATOM     48  CG2 THR A   4       8.856   1.870  -3.730  1.00  2.390          C  
ATOM     49  H   THR A   4       7.014   3.824  -4.277  1.00  1.850          H  
ATOM     50  HA  THR A   4       8.867   4.092  -2.053  1.00  2.120          H  
ATOM     51  HB  THR A   4      10.542   3.168  -3.639  1.00  2.860          H  
ATOM     52  HG1 THR A   4      10.077   4.334  -5.493  1.00  2.860          H  
ATOM     53 1HG2 THR A   4       9.385   1.121  -4.319  1.00  2.860          H  
ATOM     54 2HG2 THR A   4       8.908   1.607  -2.674  1.00  2.860          H  
ATOM     55 3HG2 THR A   4       7.815   1.898  -4.041  1.00  2.860          H  
ATOM     56  N   PRO A   5      10.530   6.043  -2.976  1.00  1.540          N  
ATOM     57  CA  PRO A   5      11.285   7.213  -3.387  1.00  1.470          C  
ATOM     58  C   PRO A   5      11.576   7.074  -4.864  1.00  1.180          C  
ATOM     59  O   PRO A   5      11.740   5.946  -5.344  1.00  1.260          O  
ATOM     60  CB  PRO A   5      12.559   7.130  -2.539  1.00  2.210          C  
ATOM     61  CG  PRO A   5      12.164   6.310  -1.329  1.00  2.210          C  
ATOM     62  CD  PRO A   5      11.154   5.305  -1.843  1.00  2.210          C  
ATOM     63  HA  PRO A   5      10.706   8.126  -3.180  1.00  1.760          H  
ATOM     64 1HB  PRO A   5      13.369   6.670  -3.129  1.00  2.650          H  
ATOM     65 2HB  PRO A   5      12.898   8.143  -2.277  1.00  2.650          H  
ATOM     66 1HG  PRO A   5      13.056   5.830  -0.892  1.00  2.650          H  
ATOM     67 2HG  PRO A   5      11.746   6.965  -0.548  1.00  2.650          H  
ATOM     68 1HD  PRO A   5      11.677   4.405  -2.181  1.00  2.650          H  
ATOM     69 2HD  PRO A   5      10.441   5.111  -1.034  1.00  2.650          H  
ATOM     70  N   THR A   6      11.670   8.180  -5.579  1.00  1.190          N  
ATOM     71  CA  THR A   6      11.957   8.085  -6.989  1.00  1.160          C  
ATOM     72  C   THR A   6      13.466   7.933  -7.232  1.00  1.030          C  
ATOM     73  O   THR A   6      14.267   8.378  -6.408  1.00  1.280          O  
ATOM     74  CB  THR A   6      11.431   9.360  -7.670  1.00  1.640          C  
ATOM     75  OG1 THR A   6      12.091  10.497  -7.100  1.00  1.640          O  
ATOM     76  CG2 THR A   6       9.930   9.480  -7.487  1.00  1.640          C  
ATOM     77  H   THR A   6      11.540   9.095  -5.163  1.00  1.430          H  
ATOM     78  HA  THR A   6      11.422   7.220  -7.369  1.00  1.390          H  
ATOM     79  HB  THR A   6      11.635   9.334  -8.698  1.00  1.960          H  
ATOM     80  HG1 THR A   6      13.036  10.468  -7.327  1.00  1.960          H  
ATOM     81 1HG2 THR A   6       9.582  10.389  -7.975  1.00  1.960          H  
ATOM     82 2HG2 THR A   6       9.441   8.616  -7.935  1.00  1.960          H  
ATOM     83 3HG2 THR A   6       9.682   9.524  -6.430  1.00  1.960          H  
ATOM     84  N   PRO A   7      13.876   7.358  -8.378  1.00  0.940          N  
ATOM     85  CA  PRO A   7      15.248   7.214  -8.843  1.00  1.040          C  
ATOM     86  C   PRO A   7      15.842   8.539  -9.327  1.00  0.990          C  
ATOM     87  O   PRO A   7      15.087   9.444  -9.679  1.00  0.970          O  
ATOM     88  CB  PRO A   7      15.094   6.184  -9.972  1.00  1.560          C  
ATOM     89  CG  PRO A   7      13.688   6.368 -10.459  1.00  1.560          C  
ATOM     90  CD  PRO A   7      12.886   6.693  -9.251  1.00  1.560          C  
ATOM     91  HA  PRO A   7      15.824   6.796  -8.007  1.00  1.250          H  
ATOM     92 1HB  PRO A   7      15.830   6.370 -10.768  1.00  1.870          H  
ATOM     93 2HB  PRO A   7      15.287   5.170  -9.590  1.00  1.870          H  
ATOM     94 1HG  PRO A   7      13.662   7.163 -11.217  1.00  1.870          H  
ATOM     95 2HG  PRO A   7      13.318   5.457 -10.933  1.00  1.870          H  
ATOM     96 1HD  PRO A   7      12.072   7.340  -9.557  1.00  1.870          H  
ATOM     97 2HD  PRO A   7      12.519   5.761  -8.783  1.00  1.870          H  
ATOM     98  N   PRO A   8      17.183   8.669  -9.367  1.00  1.210          N  
ATOM     99  CA  PRO A   8      17.915   9.815  -9.894  1.00  1.320          C  
ATOM    100  C   PRO A   8      17.854   9.979 -11.419  1.00  1.130          C  
ATOM    101  O   PRO A   8      17.977  11.100 -11.920  1.00  1.260          O  
ATOM    102  CB  PRO A   8      19.354   9.518  -9.443  1.00  1.980          C  
ATOM    103  CG  PRO A   8      19.418   8.010  -9.282  1.00  1.980          C  
ATOM    104  CD  PRO A   8      18.042   7.603  -8.806  1.00  1.980          C  
ATOM    105  HA  PRO A   8      17.545  10.723  -9.398  1.00  1.580          H  
ATOM    106 1HB  PRO A   8      20.062   9.886 -10.203  1.00  2.380          H  
ATOM    107 2HB  PRO A   8      19.577  10.059  -8.511  1.00  2.380          H  
ATOM    108 1HG  PRO A   8      19.702   7.534 -10.237  1.00  2.380          H  
ATOM    109 2HG  PRO A   8      20.208   7.747  -8.557  1.00  2.380          H  
ATOM    110 1HD  PRO A   8      17.801   6.619  -9.223  1.00  2.380          H  
ATOM    111 2HD  PRO A   8      18.000   7.614  -7.702  1.00  2.380          H  
ATOM    112  N   CYS A   9      17.596   8.896 -12.152  1.00  0.940          N  
ATOM    113  CA  CYS A   9      17.505   8.961 -13.605  1.00  0.830          C  
ATOM    114  C   CYS A   9      16.141   9.492 -14.028  1.00  0.730          C  
ATOM    115  O   CYS A   9      15.115   8.936 -13.625  1.00  0.690          O  
ATOM    116  CB  CYS A   9      17.705   7.578 -14.196  1.00  1.210          C  
ATOM    117  SG  CYS A   9      19.318   6.859 -13.840  1.00  1.210          S  
ATOM    118  H   CYS A   9      17.510   7.987 -11.723  1.00  1.130          H  
ATOM    119  HA  CYS A   9      18.282   9.630 -13.977  1.00  1.000          H  
ATOM    120 1HB  CYS A   9      16.958   6.925 -13.796  1.00  1.450          H  
ATOM    121 2HB  CYS A   9      17.575   7.614 -15.282  1.00  1.450          H  
ATOM    122  HG  CYS A   9      19.062   5.664 -14.375  1.00  1.450          H  
ATOM    123  N   ALA A  10      16.116  10.539 -14.852  1.00  0.750          N  
ATOM    124  CA  ALA A  10      14.848  11.141 -15.268  1.00  0.730          C  
ATOM    125  C   ALA A  10      13.938  10.178 -16.008  1.00  0.650          C  
ATOM    126  O   ALA A  10      12.719  10.220 -15.829  1.00  0.620          O  
ATOM    127  CB  ALA A  10      15.105  12.337 -16.153  1.00  1.030          C  
ATOM    128  H   ALA A  10      16.993  10.936 -15.172  1.00  0.900          H  
ATOM    129  HA  ALA A  10      14.327  11.462 -14.371  1.00  0.880          H  
ATOM    130 1HB  ALA A  10      14.155  12.797 -16.425  1.00  1.240          H  
ATOM    131 2HB  ALA A  10      15.722  13.059 -15.623  1.00  1.240          H  
ATOM    132 3HB  ALA A  10      15.622  12.010 -17.059  1.00  1.240          H  
ATOM    133  N   GLU A  11      14.519   9.310 -16.829  1.00  0.650          N  
ATOM    134  CA  GLU A  11      13.736   8.371 -17.620  1.00  0.670          C  
ATOM    135  C   GLU A  11      12.996   7.393 -16.720  1.00  0.610          C  
ATOM    136  O   GLU A  11      11.861   6.987 -17.012  1.00  0.630          O  
ATOM    137  CB  GLU A  11      14.661   7.625 -18.577  1.00  0.930          C  
ATOM    138  CG  GLU A  11      15.309   8.524 -19.644  1.00  0.930          C  
ATOM    139  CD  GLU A  11      16.504   9.309 -19.120  1.00  0.930          C  
ATOM    140  OE1 GLU A  11      16.878   9.098 -17.978  1.00  0.930          O  
ATOM    141  OE2 GLU A  11      17.027  10.116 -19.844  1.00  0.930          O  
ATOM    142  H   GLU A  11      15.536   9.319 -16.933  1.00  0.780          H  
ATOM    143  HA  GLU A  11      12.999   8.935 -18.196  1.00  0.800          H  
ATOM    144 1HB  GLU A  11      15.454   7.135 -18.012  1.00  1.120          H  
ATOM    145 2HB  GLU A  11      14.097   6.847 -19.091  1.00  1.120          H  
ATOM    146 1HG  GLU A  11      15.633   7.903 -20.479  1.00  1.120          H  
ATOM    147 2HG  GLU A  11      14.558   9.221 -20.014  1.00  1.120          H  
ATOM    148  N   MET A  12      13.680   6.977 -15.653  1.00  0.640          N  
ATOM    149  CA  MET A  12      13.120   6.047 -14.704  1.00  0.670          C  
ATOM    150  C   MET A  12      12.031   6.743 -13.912  1.00  0.620          C  
ATOM    151  O   MET A  12      11.000   6.137 -13.610  1.00  0.620          O  
ATOM    152  CB  MET A  12      14.197   5.484 -13.795  1.00  0.930          C  
ATOM    153  CG  MET A  12      15.215   4.576 -14.477  1.00  0.930          C  
ATOM    154  SD  MET A  12      16.555   4.061 -13.355  1.00  0.930          S  
ATOM    155  CE  MET A  12      15.728   2.957 -12.213  1.00  0.930          C  
ATOM    156  H   MET A  12      14.604   7.356 -15.497  1.00  0.770          H  
ATOM    157  HA  MET A  12      12.661   5.224 -15.247  1.00  0.800          H  
ATOM    158 1HB  MET A  12      14.720   6.297 -13.301  1.00  1.110          H  
ATOM    159 2HB  MET A  12      13.714   4.891 -13.044  1.00  1.110          H  
ATOM    160 1HG  MET A  12      14.708   3.684 -14.845  1.00  1.110          H  
ATOM    161 2HG  MET A  12      15.652   5.092 -15.331  1.00  1.110          H  
ATOM    162 1HE  MET A  12      16.451   2.579 -11.490  1.00  1.110          H  
ATOM    163 2HE  MET A  12      14.941   3.485 -11.684  1.00  1.110          H  
ATOM    164 3HE  MET A  12      15.297   2.119 -12.762  1.00  1.110          H  
ATOM    165  N   ARG A  13      12.249   8.024 -13.570  1.00  0.630          N  
ATOM    166  CA  ARG A  13      11.235   8.751 -12.821  1.00  0.660          C  
ATOM    167  C   ARG A  13       9.951   8.871 -13.613  1.00  0.600          C  
ATOM    168  O   ARG A  13       8.868   8.683 -13.052  1.00  0.660          O  
ATOM    169  CB  ARG A  13      11.669  10.150 -12.421  1.00  0.910          C  
ATOM    170  CG  ARG A  13      12.710  10.185 -11.368  1.00  0.910          C  
ATOM    171  CD  ARG A  13      12.854  11.525 -10.724  1.00  0.910          C  
ATOM    172  NE  ARG A  13      13.359  12.549 -11.628  1.00  0.910          N  
ATOM    173  CZ  ARG A  13      14.664  12.766 -11.865  1.00  0.910          C  
ATOM    174  NH1 ARG A  13      15.553  12.005 -11.293  1.00  0.910          N  
ATOM    175  NH2 ARG A  13      15.046  13.740 -12.682  1.00  0.910          N  
ATOM    176  H   ARG A  13      13.149   8.463 -13.793  1.00  0.760          H  
ATOM    177  HA  ARG A  13      11.028   8.194 -11.908  1.00  0.790          H  
ATOM    178 1HB  ARG A  13      12.066  10.665 -13.292  1.00  1.090          H  
ATOM    179 2HB  ARG A  13      10.810  10.714 -12.066  1.00  1.090          H  
ATOM    180 1HG  ARG A  13      12.514   9.446 -10.636  1.00  1.090          H  
ATOM    181 2HG  ARG A  13      13.659   9.950 -11.837  1.00  1.090          H  
ATOM    182 1HD  ARG A  13      11.873  11.846 -10.372  1.00  1.090          H  
ATOM    183 2HD  ARG A  13      13.517  11.452  -9.866  1.00  1.090          H  
ATOM    184  HE  ARG A  13      12.688  13.152 -12.084  1.00  1.090          H  
ATOM    185 1HH1 ARG A  13      15.272  11.223 -10.674  1.00  1.090          H  
ATOM    186 2HH1 ARG A  13      16.550  12.127 -11.494  1.00  1.090          H  
ATOM    187 1HH2 ARG A  13      14.356  14.329 -13.125  1.00  1.090          H  
ATOM    188 2HH2 ARG A  13      16.030  13.894 -12.855  1.00  1.090          H  
ATOM    189  N   GLU A  14      10.057   9.173 -14.913  1.00  0.540          N  
ATOM    190  CA  GLU A  14       8.860   9.302 -15.729  1.00  0.590          C  
ATOM    191  C   GLU A  14       8.120   7.976 -15.828  1.00  0.480          C  
ATOM    192  O   GLU A  14       6.889   7.943 -15.716  1.00  0.530          O  
ATOM    193  CB  GLU A  14       9.215   9.808 -17.127  1.00  0.810          C  
ATOM    194  CG  GLU A  14       9.675  11.266 -17.180  1.00  0.810          C  
ATOM    195  CD  GLU A  14      10.084  11.716 -18.566  1.00  0.810          C  
ATOM    196  OE1 GLU A  14      10.165  10.893 -19.450  1.00  0.810          O  
ATOM    197  OE2 GLU A  14      10.316  12.890 -18.737  1.00  0.810          O  
ATOM    198  H   GLU A  14      10.982   9.360 -15.319  1.00  0.650          H  
ATOM    199  HA  GLU A  14       8.202  10.028 -15.258  1.00  0.710          H  
ATOM    200 1HB  GLU A  14      10.021   9.192 -17.536  1.00  0.970          H  
ATOM    201 2HB  GLU A  14       8.353   9.699 -17.781  1.00  0.970          H  
ATOM    202 1HG  GLU A  14       8.862  11.900 -16.829  1.00  0.970          H  
ATOM    203 2HG  GLU A  14      10.513  11.392 -16.499  1.00  0.970          H  
ATOM    204  N   ASP A  15       8.856   6.869 -15.967  1.00  0.440          N  
ATOM    205  CA  ASP A  15       8.212   5.569 -16.066  1.00  0.490          C  
ATOM    206  C   ASP A  15       7.565   5.201 -14.732  1.00  0.450          C  
ATOM    207  O   ASP A  15       6.440   4.679 -14.697  1.00  0.480          O  
ATOM    208  CB  ASP A  15       9.246   4.515 -16.493  1.00  0.670          C  
ATOM    209  CG  ASP A  15       8.645   3.178 -16.974  1.00  0.670          C  
ATOM    210  OD1 ASP A  15       7.984   3.175 -18.011  1.00  0.670          O  
ATOM    211  OD2 ASP A  15       8.871   2.180 -16.331  1.00  0.670          O  
ATOM    212  H   ASP A  15       9.874   6.938 -16.089  1.00  0.530          H  
ATOM    213  HA  ASP A  15       7.425   5.619 -16.806  1.00  0.590          H  
ATOM    214 1HB  ASP A  15       9.867   4.931 -17.289  1.00  0.800          H  
ATOM    215 2HB  ASP A  15       9.914   4.318 -15.649  1.00  0.800          H  
ATOM    216  N   SER A  16       8.255   5.513 -13.628  1.00  0.490          N  
ATOM    217  CA  SER A  16       7.759   5.213 -12.301  1.00  0.590          C  
ATOM    218  C   SER A  16       6.477   5.984 -12.053  1.00  0.560          C  
ATOM    219  O   SER A  16       5.512   5.418 -11.534  1.00  0.590          O  
ATOM    220  CB  SER A  16       8.798   5.600 -11.263  1.00  0.790          C  
ATOM    221  OG  SER A  16       9.962   4.819 -11.390  1.00  0.790          O  
ATOM    222  H   SER A  16       9.181   5.928 -13.715  1.00  0.590          H  
ATOM    223  HA  SER A  16       7.551   4.146 -12.234  1.00  0.710          H  
ATOM    224 1HB  SER A  16       9.048   6.652 -11.371  1.00  0.940          H  
ATOM    225 2HB  SER A  16       8.374   5.469 -10.269  1.00  0.940          H  
ATOM    226  HG  SER A  16      10.399   5.133 -12.212  1.00  0.940          H  
ATOM    227  N   ALA A  17       6.456   7.269 -12.452  1.00  0.590          N  
ATOM    228  CA  ALA A  17       5.285   8.109 -12.291  1.00  0.730          C  
ATOM    229  C   ALA A  17       4.121   7.554 -13.086  1.00  0.690          C  
ATOM    230  O   ALA A  17       3.016   7.439 -12.567  1.00  0.820          O  
ATOM    231  CB  ALA A  17       5.588   9.519 -12.742  1.00  0.970          C  
ATOM    232  H   ALA A  17       7.305   7.683 -12.847  1.00  0.710          H  
ATOM    233  HA  ALA A  17       5.014   8.121 -11.238  1.00  0.880          H  
ATOM    234 1HB  ALA A  17       4.714  10.144 -12.607  1.00  1.160          H  
ATOM    235 2HB  ALA A  17       6.418   9.911 -12.157  1.00  1.160          H  
ATOM    236 3HB  ALA A  17       5.865   9.505 -13.796  1.00  1.160          H  
ATOM    237  N   ARG A  18       4.357   7.099 -14.322  1.00  0.600          N  
ATOM    238  CA  ARG A  18       3.246   6.549 -15.095  1.00  0.740          C  
ATOM    239  C   ARG A  18       2.616   5.366 -14.369  1.00  0.710          C  
ATOM    240  O   ARG A  18       1.383   5.276 -14.258  1.00  0.830          O  
ATOM    241  CB  ARG A  18       3.703   6.129 -16.488  1.00  0.980          C  
ATOM    242  CG  ARG A  18       3.975   7.283 -17.472  1.00  0.980          C  
ATOM    243  CD  ARG A  18       4.150   6.792 -18.882  1.00  0.980          C  
ATOM    244  NE  ARG A  18       5.399   6.021 -19.050  1.00  0.980          N  
ATOM    245  CZ  ARG A  18       6.610   6.542 -19.392  1.00  0.980          C  
ATOM    246  NH1 ARG A  18       6.763   7.831 -19.626  1.00  0.980          N  
ATOM    247  NH2 ARG A  18       7.666   5.746 -19.486  1.00  0.980          N  
ATOM    248  H   ARG A  18       5.284   7.212 -14.746  1.00  0.720          H  
ATOM    249  HA  ARG A  18       2.490   7.326 -15.204  1.00  0.890          H  
ATOM    250 1HB  ARG A  18       4.630   5.560 -16.401  1.00  1.180          H  
ATOM    251 2HB  ARG A  18       2.958   5.473 -16.933  1.00  1.180          H  
ATOM    252 1HG  ARG A  18       3.135   7.976 -17.450  1.00  1.180          H  
ATOM    253 2HG  ARG A  18       4.878   7.807 -17.176  1.00  1.180          H  
ATOM    254 1HD  ARG A  18       3.315   6.136 -19.133  1.00  1.180          H  
ATOM    255 2HD  ARG A  18       4.158   7.631 -19.571  1.00  1.180          H  
ATOM    256  HE  ARG A  18       5.356   5.017 -18.886  1.00  1.180          H  
ATOM    257 1HH1 ARG A  18       5.984   8.464 -19.557  1.00  1.180          H  
ATOM    258 2HH1 ARG A  18       7.681   8.180 -19.875  1.00  1.180          H  
ATOM    259 1HH2 ARG A  18       7.590   4.734 -19.260  1.00  1.180          H  
ATOM    260 2HH2 ARG A  18       8.568   6.132 -19.723  1.00  1.180          H  
ATOM    261  N   VAL A  19       3.455   4.492 -13.808  1.00  0.640          N  
ATOM    262  CA  VAL A  19       2.918   3.364 -13.070  1.00  0.760          C  
ATOM    263  C   VAL A  19       2.160   3.845 -11.853  1.00  0.740          C  
ATOM    264  O   VAL A  19       1.033   3.408 -11.619  1.00  0.840          O  
ATOM    265  CB  VAL A  19       4.025   2.399 -12.610  1.00  1.020          C  
ATOM    266  CG1 VAL A  19       3.431   1.321 -11.650  1.00  1.020          C  
ATOM    267  CG2 VAL A  19       4.654   1.751 -13.833  1.00  1.020          C  
ATOM    268  H   VAL A  19       4.467   4.607 -13.951  1.00  0.770          H  
ATOM    269  HA  VAL A  19       2.230   2.824 -13.720  1.00  0.910          H  
ATOM    270  HB  VAL A  19       4.787   2.956 -12.060  1.00  1.220          H  
ATOM    271 1HG1 VAL A  19       4.226   0.649 -11.333  1.00  1.220          H  
ATOM    272 2HG1 VAL A  19       2.994   1.786 -10.765  1.00  1.220          H  
ATOM    273 3HG1 VAL A  19       2.660   0.752 -12.170  1.00  1.220          H  
ATOM    274 1HG2 VAL A  19       5.449   1.073 -13.521  1.00  1.220          H  
ATOM    275 2HG2 VAL A  19       3.896   1.196 -14.381  1.00  1.220          H  
ATOM    276 3HG2 VAL A  19       5.076   2.520 -14.481  1.00  1.220          H  
ATOM    277  N   TYR A  20       2.758   4.766 -11.106  1.00  0.710          N  
ATOM    278  CA  TYR A  20       2.133   5.273  -9.917  1.00  0.830          C  
ATOM    279  C   TYR A  20       0.786   5.933 -10.215  1.00  0.780          C  
ATOM    280  O   TYR A  20      -0.159   5.759  -9.436  1.00  0.810          O  
ATOM    281  CB  TYR A  20       3.100   6.183  -9.164  1.00  1.110          C  
ATOM    282  CG  TYR A  20       4.244   5.480  -8.421  1.00  1.110          C  
ATOM    283  CD1 TYR A  20       5.532   6.008  -8.420  1.00  1.110          C  
ATOM    284  CD2 TYR A  20       3.995   4.331  -7.709  1.00  1.110          C  
ATOM    285  CE1 TYR A  20       6.536   5.361  -7.691  1.00  1.110          C  
ATOM    286  CE2 TYR A  20       4.961   3.708  -7.005  1.00  1.110          C  
ATOM    287  CZ  TYR A  20       6.213   4.194  -6.977  1.00  1.110          C  
ATOM    288  OH  TYR A  20       7.124   3.518  -6.211  1.00  1.110          O  
ATOM    289  H   TYR A  20       3.695   5.094 -11.358  1.00  0.850          H  
ATOM    290  HA  TYR A  20       1.914   4.441  -9.288  1.00  1.000          H  
ATOM    291 1HB  TYR A  20       3.533   6.890  -9.861  1.00  1.340          H  
ATOM    292 2HB  TYR A  20       2.556   6.728  -8.422  1.00  1.340          H  
ATOM    293  HD1 TYR A  20       5.752   6.925  -8.973  1.00  1.340          H  
ATOM    294  HD2 TYR A  20       3.031   3.911  -7.690  1.00  1.340          H  
ATOM    295  HE1 TYR A  20       7.548   5.768  -7.669  1.00  1.340          H  
ATOM    296  HE2 TYR A  20       4.724   2.803  -6.442  1.00  1.340          H  
ATOM    297  HH  TYR A  20       8.019   3.873  -6.337  1.00  1.340          H  
ATOM    298  N   GLU A  21       0.641   6.690 -11.314  1.00  0.820          N  
ATOM    299  CA  GLU A  21      -0.682   7.257 -11.566  1.00  0.990          C  
ATOM    300  C   GLU A  21      -1.682   6.118 -11.785  1.00  0.960          C  
ATOM    301  O   GLU A  21      -2.763   6.110 -11.190  1.00  1.020          O  
ATOM    302  CB  GLU A  21      -0.722   8.192 -12.797  1.00  1.320          C  
ATOM    303  CG  GLU A  21      -0.009   9.559 -12.658  1.00  1.320          C  
ATOM    304  CD  GLU A  21      -0.181  10.452 -13.869  1.00  1.320          C  
ATOM    305  OE1 GLU A  21      -0.704   9.983 -14.850  1.00  1.320          O  
ATOM    306  OE2 GLU A  21       0.211  11.607 -13.805  1.00  1.320          O  
ATOM    307  H   GLU A  21       1.441   6.885 -11.918  1.00  0.980          H  
ATOM    308  HA  GLU A  21      -0.996   7.823 -10.694  1.00  1.190          H  
ATOM    309 1HB  GLU A  21      -0.259   7.674 -13.644  1.00  1.580          H  
ATOM    310 2HB  GLU A  21      -1.760   8.383 -13.071  1.00  1.580          H  
ATOM    311 1HG  GLU A  21      -0.389  10.081 -11.781  1.00  1.580          H  
ATOM    312 2HG  GLU A  21       1.056   9.376 -12.523  1.00  1.580          H  
ATOM    313  N   ASN A  22      -1.262   5.092 -12.537  1.00  0.940          N  
ATOM    314  CA  ASN A  22      -2.122   3.952 -12.854  1.00  1.120          C  
ATOM    315  C   ASN A  22      -2.537   3.130 -11.632  1.00  1.090          C  
ATOM    316  O   ASN A  22      -3.629   2.553 -11.622  1.00  1.280          O  
ATOM    317  CB  ASN A  22      -1.466   3.065 -13.894  1.00  1.500          C  
ATOM    318  CG  ASN A  22      -1.482   3.680 -15.284  1.00  1.500          C  
ATOM    319  OD1 ASN A  22      -2.291   4.567 -15.592  1.00  1.500          O  
ATOM    320  ND2 ASN A  22      -0.601   3.217 -16.134  1.00  1.500          N  
ATOM    321  H   ASN A  22      -0.343   5.166 -12.985  1.00  1.130          H  
ATOM    322  HA  ASN A  22      -3.040   4.346 -13.284  1.00  1.340          H  
ATOM    323 1HB  ASN A  22      -0.436   2.877 -13.610  1.00  1.800          H  
ATOM    324 2HB  ASN A  22      -1.980   2.107 -13.925  1.00  1.800          H  
ATOM    325 1HD2 ASN A  22      -0.564   3.584 -17.062  1.00  1.800          H  
ATOM    326 2HD2 ASN A  22       0.038   2.503 -15.855  1.00  1.800          H  
ATOM    327  N   VAL A  23      -1.710   3.104 -10.586  1.00  0.970          N  
ATOM    328  CA  VAL A  23      -2.061   2.341  -9.389  1.00  1.080          C  
ATOM    329  C   VAL A  23      -2.514   3.218  -8.217  1.00  0.970          C  
ATOM    330  O   VAL A  23      -2.610   2.720  -7.091  1.00  1.000          O  
ATOM    331  CB  VAL A  23      -0.902   1.433  -8.904  1.00  1.470          C  
ATOM    332  CG1 VAL A  23      -0.542   0.432  -9.989  1.00  1.470          C  
ATOM    333  CG2 VAL A  23       0.295   2.253  -8.528  1.00  1.470          C  
ATOM    334  H   VAL A  23      -0.795   3.561 -10.672  1.00  1.160          H  
ATOM    335  HA  VAL A  23      -2.889   1.684  -9.648  1.00  1.300          H  
ATOM    336  HB  VAL A  23      -1.240   0.874  -8.035  1.00  1.760          H  
ATOM    337 1HG1 VAL A  23       0.251  -0.222  -9.637  1.00  1.760          H  
ATOM    338 2HG1 VAL A  23      -1.422  -0.160 -10.236  1.00  1.760          H  
ATOM    339 3HG1 VAL A  23      -0.204   0.971 -10.877  1.00  1.760          H  
ATOM    340 1HG2 VAL A  23       1.090   1.607  -8.179  1.00  1.760          H  
ATOM    341 2HG2 VAL A  23       0.603   2.763  -9.387  1.00  1.760          H  
ATOM    342 3HG2 VAL A  23       0.038   2.958  -7.756  1.00  1.760          H  
ATOM    343  N   GLY A  24      -2.784   4.510  -8.458  1.00  0.910          N  
ATOM    344  CA  GLY A  24      -3.282   5.395  -7.400  1.00  0.880          C  
ATOM    345  C   GLY A  24      -2.272   5.904  -6.358  1.00  0.840          C  
ATOM    346  O   GLY A  24      -2.662   6.178  -5.220  1.00  0.880          O  
ATOM    347  H   GLY A  24      -2.691   4.884  -9.411  1.00  1.090          H  
ATOM    348 1HA  GLY A  24      -3.749   6.254  -7.880  1.00  1.060          H  
ATOM    349 2HA  GLY A  24      -4.083   4.876  -6.879  1.00  1.060          H  
ATOM    350  N   LEU A  25      -0.987   6.017  -6.700  1.00  0.840          N  
ATOM    351  CA  LEU A  25       0.024   6.483  -5.736  1.00  0.910          C  
ATOM    352  C   LEU A  25       0.559   7.913  -5.953  1.00  0.860          C  
ATOM    353  O   LEU A  25       1.583   8.288  -5.379  1.00  0.900          O  
ATOM    354  CB  LEU A  25       1.155   5.448  -5.658  1.00  1.250          C  
ATOM    355  CG  LEU A  25       0.735   4.033  -5.051  1.00  1.250          C  
ATOM    356  CD1 LEU A  25       1.869   3.040  -5.122  1.00  1.250          C  
ATOM    357  CD2 LEU A  25       0.404   4.180  -3.630  1.00  1.250          C  
ATOM    358  H   LEU A  25      -0.702   5.800  -7.662  1.00  1.010          H  
ATOM    359  HA  LEU A  25      -0.454   6.511  -4.768  1.00  1.090          H  
ATOM    360 1HB  LEU A  25       1.496   5.275  -6.663  1.00  1.500          H  
ATOM    361 2HB  LEU A  25       1.968   5.850  -5.080  1.00  1.500          H  
ATOM    362  HG  LEU A  25      -0.129   3.642  -5.587  1.00  1.500          H  
ATOM    363 1HD1 LEU A  25       1.544   2.106  -4.682  1.00  1.500          H  
ATOM    364 2HD1 LEU A  25       2.140   2.858  -6.128  1.00  1.500          H  
ATOM    365 3HD1 LEU A  25       2.725   3.415  -4.570  1.00  1.500          H  
ATOM    366 1HD2 LEU A  25       0.130   3.213  -3.238  1.00  1.500          H  
ATOM    367 2HD2 LEU A  25       1.289   4.544  -3.121  1.00  1.500          H  
ATOM    368 3HD2 LEU A  25      -0.419   4.854  -3.470  1.00  1.500          H  
ATOM    369  N   MET A  26      -0.163   8.699  -6.755  1.00  0.950          N  
ATOM    370  CA  MET A  26       0.168  10.088  -7.120  1.00  1.070          C  
ATOM    371  C   MET A  26      -0.854  11.215  -6.777  1.00  1.080          C  
ATOM    372  O   MET A  26      -1.084  12.010  -7.686  1.00  1.350          O  
ATOM    373  CB  MET A  26       0.304  10.141  -8.646  1.00  1.450          C  
ATOM    374  CG  MET A  26       1.349   9.264  -9.240  1.00  1.450          C  
ATOM    375  SD  MET A  26       3.027   9.644  -8.886  1.00  1.450          S  
ATOM    376  CE  MET A  26       3.290  11.039  -9.944  1.00  1.450          C  
ATOM    377  H   MET A  26      -0.999   8.289  -7.148  1.00  1.140          H  
ATOM    378  HA  MET A  26       1.112  10.347  -6.640  1.00  1.280          H  
ATOM    379 1HB  MET A  26      -0.643   9.863  -9.100  1.00  1.740          H  
ATOM    380 2HB  MET A  26       0.522  11.155  -8.958  1.00  1.740          H  
ATOM    381 1HG  MET A  26       1.140   8.296  -8.876  1.00  1.740          H  
ATOM    382 2HG  MET A  26       1.248   9.245 -10.288  1.00  1.740          H  
ATOM    383 1HE  MET A  26       4.310  11.392  -9.840  1.00  1.740          H  
ATOM    384 2HE  MET A  26       3.110  10.743 -10.977  1.00  1.740          H  
ATOM    385 3HE  MET A  26       2.609  11.829  -9.679  1.00  1.740          H  
ATOM    386  N   GLN A  27      -1.568  11.353  -5.620  1.00  1.260          N  
ATOM    387  CA  GLN A  27      -1.618  10.756  -4.267  1.00  1.450          C  
ATOM    388  C   GLN A  27      -0.283  10.861  -3.485  1.00  1.350          C  
ATOM    389  O   GLN A  27       0.151  11.972  -3.196  1.00  1.520          O  
ATOM    390  CB  GLN A  27      -2.252   9.350  -4.266  1.00  1.950          C  
ATOM    391  CG  GLN A  27      -2.642   8.764  -2.878  1.00  1.950          C  
ATOM    392  CD  GLN A  27      -3.760   9.544  -2.216  1.00  1.950          C  
ATOM    393  OE1 GLN A  27      -4.746   9.907  -2.863  1.00  1.950          O  
ATOM    394  NE2 GLN A  27      -3.625   9.804  -0.919  1.00  1.950          N  
ATOM    395  H   GLN A  27      -2.238  12.104  -5.703  1.00  1.510          H  
ATOM    396  HA  GLN A  27      -2.328  11.354  -3.698  1.00  1.740          H  
ATOM    397 1HB  GLN A  27      -3.148   9.355  -4.887  1.00  2.340          H  
ATOM    398 2HB  GLN A  27      -1.612   8.650  -4.665  1.00  2.340          H  
ATOM    399 1HG  GLN A  27      -2.997   7.747  -3.042  1.00  2.340          H  
ATOM    400 2HG  GLN A  27      -1.827   8.745  -2.191  1.00  2.340          H  
ATOM    401 1HE2 GLN A  27      -4.343  10.312  -0.431  1.00  2.340          H  
ATOM    402 2HE2 GLN A  27      -2.817   9.496  -0.419  1.00  2.340          H  
ATOM    403  N   GLN A  28       0.338   9.755  -3.086  1.00  1.230          N  
ATOM    404  CA  GLN A  28       1.543   9.818  -2.248  1.00  1.340          C  
ATOM    405  C   GLN A  28       2.781  10.548  -2.804  1.00  1.320          C  
ATOM    406  O   GLN A  28       3.486  11.216  -2.042  1.00  1.570          O  
ATOM    407  CB  GLN A  28       1.969   8.399  -1.869  1.00  1.830          C  
ATOM    408  CG  GLN A  28       1.049   7.666  -0.884  1.00  1.830          C  
ATOM    409  CD  GLN A  28       1.533   6.243  -0.637  1.00  1.830          C  
ATOM    410  OE1 GLN A  28       2.738   6.033  -0.408  1.00  1.830          O  
ATOM    411  NE2 GLN A  28       0.611   5.275  -0.692  1.00  1.830          N  
ATOM    412  H   GLN A  28      -0.027   8.858  -3.351  1.00  1.480          H  
ATOM    413  HA  GLN A  28       1.262  10.337  -1.333  1.00  1.610          H  
ATOM    414 1HB  GLN A  28       2.001   7.805  -2.775  1.00  2.200          H  
ATOM    415 2HB  GLN A  28       2.975   8.422  -1.452  1.00  2.200          H  
ATOM    416 1HG  GLN A  28       1.031   8.206   0.062  1.00  2.200          H  
ATOM    417 2HG  GLN A  28       0.052   7.610  -1.303  1.00  2.200          H  
ATOM    418 1HE2 GLN A  28       0.859   4.275  -0.598  1.00  2.200          H  
ATOM    419 2HE2 GLN A  28      -0.342   5.502  -0.889  1.00  2.200          H  
ATOM    420  N   GLN A  29       3.075  10.425  -4.089  1.00  1.170          N  
ATOM    421  CA  GLN A  29       4.262  11.095  -4.616  1.00  1.240          C  
ATOM    422  C   GLN A  29       4.011  12.574  -4.866  1.00  1.260          C  
ATOM    423  O   GLN A  29       3.005  12.945  -5.463  1.00  1.550          O  
ATOM    424  CB  GLN A  29       4.704  10.493  -5.931  1.00  1.710          C  
ATOM    425  CG  GLN A  29       6.028  11.018  -6.462  1.00  1.710          C  
ATOM    426  CD  GLN A  29       6.463  10.334  -7.714  1.00  1.710          C  
ATOM    427  OE1 GLN A  29       6.498   9.111  -7.791  1.00  1.710          O  
ATOM    428  NE2 GLN A  29       6.807  11.128  -8.718  1.00  1.710          N  
ATOM    429  H   GLN A  29       2.482   9.838  -4.683  1.00  1.400          H  
ATOM    430  HA  GLN A  29       5.065  10.999  -3.887  1.00  1.490          H  
ATOM    431 1HB  GLN A  29       4.699   9.421  -5.894  1.00  2.050          H  
ATOM    432 2HB  GLN A  29       3.976  10.797  -6.638  1.00  2.050          H  
ATOM    433 1HG  GLN A  29       5.932  12.069  -6.699  1.00  2.050          H  
ATOM    434 2HG  GLN A  29       6.796  10.868  -5.709  1.00  2.050          H  
ATOM    435 1HE2 GLN A  29       7.112  10.741  -9.585  1.00  2.050          H  
ATOM    436 2HE2 GLN A  29       6.760  12.131  -8.609  1.00  2.050          H  
ATOM    437  N   LYS A  30       4.949  13.432  -4.474  1.00  1.780          N  
ATOM    438  CA  LYS A  30       4.794  14.849  -4.784  1.00  2.060          C  
ATOM    439  C   LYS A  30       4.645  14.992  -6.295  1.00  1.930          C  
ATOM    440  O   LYS A  30       5.489  14.497  -7.048  1.00  2.140          O  
ATOM    441  CB  LYS A  30       5.995  15.651  -4.276  1.00  2.770          C  
ATOM    442  CG  LYS A  30       5.896  17.163  -4.485  1.00  2.770          C  
ATOM    443  CD  LYS A  30       7.108  17.884  -3.891  1.00  2.770          C  
ATOM    444  CE  LYS A  30       7.025  19.391  -4.102  1.00  2.770          C  
ATOM    445  NZ  LYS A  30       8.206  20.096  -3.524  1.00  2.770          N  
ATOM    446  H   LYS A  30       5.754  13.102  -3.962  1.00  2.140          H  
ATOM    447  HA  LYS A  30       3.883  15.219  -4.310  1.00  2.470          H  
ATOM    448 1HB  LYS A  30       6.119  15.470  -3.210  1.00  3.330          H  
ATOM    449 2HB  LYS A  30       6.899  15.303  -4.776  1.00  3.330          H  
ATOM    450 1HG  LYS A  30       5.844  17.383  -5.554  1.00  3.330          H  
ATOM    451 2HG  LYS A  30       4.988  17.536  -4.012  1.00  3.330          H  
ATOM    452 1HD  LYS A  30       7.171  17.677  -2.822  1.00  3.330          H  
ATOM    453 2HD  LYS A  30       8.015  17.513  -4.369  1.00  3.330          H  
ATOM    454 1HE  LYS A  30       6.977  19.599  -5.169  1.00  3.330          H  
ATOM    455 2HE  LYS A  30       6.121  19.772  -3.627  1.00  3.330          H  
ATOM    456 1HZ  LYS A  30       8.120  21.090  -3.683  1.00  3.330          H  
ATOM    457 2HZ  LYS A  30       8.253  19.918  -2.530  1.00  3.330          H  
ATOM    458 3HZ  LYS A  30       9.050  19.758  -3.966  1.00  3.330          H  
ATOM    459  N   SER A  31       3.620  15.720  -6.735  1.00  1.870          N  
ATOM    460  CA  SER A  31       3.359  15.882  -8.156  1.00  1.860          C  
ATOM    461  C   SER A  31       2.646  17.165  -8.516  1.00  1.900          C  
ATOM    462  O   SER A  31       1.823  17.682  -7.762  1.00  2.270          O  
ATOM    463  CB  SER A  31       2.535  14.736  -8.683  1.00  2.610          C  
ATOM    464  OG  SER A  31       2.230  14.938 -10.048  1.00  2.610          O  
ATOM    465  H   SER A  31       2.982  16.121  -6.063  1.00  2.240          H  
ATOM    466  HA  SER A  31       4.318  15.879  -8.673  1.00  2.230          H  
ATOM    467 1HB  SER A  31       3.092  13.811  -8.555  1.00  3.130          H  
ATOM    468 2HB  SER A  31       1.614  14.646  -8.104  1.00  3.130          H  
ATOM    469  HG  SER A  31       1.696  14.173 -10.312  1.00  3.130          H  
ATOM    470  N   PHE A  32       2.993  17.674  -9.692  1.00  1.920          N  
ATOM    471  CA  PHE A  32       2.398  18.854 -10.315  1.00  2.180          C  
ATOM    472  C   PHE A  32       0.928  18.656 -10.702  1.00  2.170          C  
ATOM    473  O   PHE A  32       0.215  19.633 -10.944  1.00  2.630          O  
ATOM    474  CB  PHE A  32       3.151  19.187 -11.608  1.00  2.950          C  
ATOM    475  CG  PHE A  32       2.808  18.215 -12.733  1.00  2.950          C  
ATOM    476  CD1 PHE A  32       1.762  18.495 -13.623  1.00  2.950          C  
ATOM    477  CD2 PHE A  32       3.482  17.012 -12.878  1.00  2.950          C  
ATOM    478  CE1 PHE A  32       1.417  17.606 -14.611  1.00  2.950          C  
ATOM    479  CE2 PHE A  32       3.129  16.126 -13.871  1.00  2.950          C  
ATOM    480  CZ  PHE A  32       2.099  16.423 -14.733  1.00  2.950          C  
ATOM    481  H   PHE A  32       3.701  17.172 -10.207  1.00  2.300          H  
ATOM    482  HA  PHE A  32       2.466  19.687  -9.615  1.00  2.620          H  
ATOM    483 1HB  PHE A  32       2.895  20.195 -11.932  1.00  3.540          H  
ATOM    484 2HB  PHE A  32       4.224  19.153 -11.435  1.00  3.540          H  
ATOM    485  HD1 PHE A  32       1.210  19.435 -13.519  1.00  3.540          H  
ATOM    486  HD2 PHE A  32       4.294  16.759 -12.203  1.00  3.540          H  
ATOM    487  HE1 PHE A  32       0.602  17.842 -15.293  1.00  3.540          H  
ATOM    488  HE2 PHE A  32       3.663  15.182 -13.971  1.00  3.540          H  
ATOM    489  HZ  PHE A  32       1.828  15.717 -15.512  1.00  3.540          H  
ATOM    490  N   ARG A  33       0.530  17.389 -10.847  1.00  2.300          N  
ATOM    491  CA  ARG A  33      -0.790  17.005 -11.321  1.00  2.640          C  
ATOM    492  C   ARG A  33      -1.914  17.410 -10.371  1.00  3.480          C  
ATOM    493  O   ARG A  33      -2.939  17.912 -10.834  1.00  4.030          O  
ATOM    494  OXT ARG A  33      -1.980  16.839  -9.285  1.00  3.960          O  
ATOM    495  CB  ARG A  33      -0.830  15.497 -11.543  1.00  3.360          C  
ATOM    496  CG  ARG A  33      -2.135  14.936 -12.121  1.00  3.360          C  
ATOM    497  CD  ARG A  33      -2.236  15.139 -13.596  1.00  3.360          C  
ATOM    498  NE  ARG A  33      -1.303  14.274 -14.343  1.00  3.360          N  
ATOM    499  CZ  ARG A  33      -0.939  14.430 -15.626  1.00  3.360          C  
ATOM    500  NH1 ARG A  33      -1.388  15.434 -16.364  1.00  3.360          N  
ATOM    501  NH2 ARG A  33      -0.115  13.535 -16.123  1.00  3.360          N  
ATOM    502  H   ARG A  33       1.190  16.658 -10.597  1.00  2.760          H  
ATOM    503  HA  ARG A  33      -0.953  17.504 -12.274  1.00  3.170          H  
ATOM    504 1HB  ARG A  33      -0.018  15.218 -12.217  1.00  4.030          H  
ATOM    505 2HB  ARG A  33      -0.650  14.991 -10.595  1.00  4.030          H  
ATOM    506 1HG  ARG A  33      -2.177  13.864 -11.928  1.00  4.030          H  
ATOM    507 2HG  ARG A  33      -2.990  15.420 -11.651  1.00  4.030          H  
ATOM    508 1HD  ARG A  33      -3.250  14.901 -13.915  1.00  4.030          H  
ATOM    509 2HD  ARG A  33      -2.016  16.174 -13.835  1.00  4.030          H  
ATOM    510  HE  ARG A  33      -0.901  13.443 -13.873  1.00  4.030          H  
ATOM    511 1HH1 ARG A  33      -2.025  16.111 -15.971  1.00  4.030          H  
ATOM    512 2HH1 ARG A  33      -1.100  15.523 -17.329  1.00  4.030          H  
ATOM    513 1HH2 ARG A  33       0.186  12.762 -15.500  1.00  4.030          H  
ATOM    514 2HH2 ARG A  33       0.195  13.584 -17.079  1.00  4.030          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 -152.409 15.9438 130.545 -10.224 3.27579 7.83516 56.1665 -63.8765 -0.18722 -1.66273 -47.8544 -7.63031 -16.844 -1.45371 -8.28496 -4.21187 0 1.29404 1.8771 14.4597 30.9905 -4.47469 7.07107 -13.9038 -5.70355 27.4744 -41.787
PRO:NtermProteinFull_1 -1.75323 0.3173 1.19671 -0.20786 0.05078 0.15471 0.63201 -0.57639 -0 -0 -0.49575 0.83371 0 0 -0.80062 0 0 0.65692 0.00564 0.22222 0 0 0 -2.4119 0 0.79282 -1.38293
PRO_2 -2.05623 0.19718 1.14771 -0.14214 0.0008 0.10039 0.23506 -0.6101 -2e-05 -5e-05 -0.47697 0.18338 0 0 0 0 0 0.15038 0.00406 0.34644 0 -0.97509 0 -2.4119 -0.36817 1.01825 -3.65702
CYS_3 -5.97877 0.41672 2.17192 -0.08218 0.00217 0.04409 1.14574 -1.21737 -0.01015 -0.08836 -1.63186 -0.04979 0 0 -0.71431 0 0 -0.03131 0.00953 0.49858 0 0.14648 0 3.6196 -0.43861 0.43337 -1.75451
THR_4 -3.10153 0.37464 3.08349 -0.12368 0.08919 0.08375 1.63693 -1.43093 -0.00494 -0.09205 -1.8289 -0.36203 0 0 -0.66057 -0.10842 0 0.38422 0.06502 0.04903 0 -0.30618 2.26484 -1.0874 -0.31257 1.00191 -0.38617
PRO_5 -1.6921 0.35193 1.38549 -0.13358 0.00048 0.09812 0.41262 -0.56991 -0 -0 -0.90611 0.20586 0 0 0 0 0 -0.04705 0.01413 0.19637 0 -1.11092 0 -2.4119 -0.64101 1.04709 -3.8005
THR_6 -2.83967 0.55029 1.5212 -0.12881 0.06894 0.08738 0.29181 -0.74102 -0 -0 -0.08834 -0.78821 0 0 0 0 0 0.01702 0.02615 0.21639 0 0.01421 2.33269 -1.0874 -0.61822 0.90174 -0.26386
PRO_7 -5.17232 0.9707 3.74605 -0.18191 0.00079 0.12779 1.37894 -1.29654 -0 -0 -0.16904 0.12285 0 0 -0.82843 0 0 -0.00163 0.01956 0.38636 0 -0.90828 0 -2.4119 -0.43681 1.23078 -3.42303
PRO_8 -2.25796 0.50161 1.70801 -0.08565 6e-05 0.05327 0.54255 -0.74139 -0 -0 -0.51648 0.7178 0 0 -0.20895 0 0 0.01951 0.00682 0.35765 0 0.23745 0 -2.4119 -0.21745 0.82199 -1.47306
CYS_9 -4.94395 0.29728 4.76848 -0.04944 0.00235 0.0193 1.90125 -2.03107 -0 -0 -1.48875 -0.22847 0 0 0 0 0 -0.03799 0.02847 0.6179 0 0.13452 0 3.6196 -0.12138 0.31715 2.80525
ALA_10 -4.07029 0.22303 4.56569 -0.02327 0 0 1.53625 -2.28987 -0 -0 -0.88909 -0.35354 0 0 0 0 0 -0.06634 0 0 0 -0.34441 0 1.8394 -0.42739 0.17158 -0.12824
GLU_11 -3.45204 0.14935 4.293 -0.46122 0.26828 1.45782 1.24133 -1.99665 -0.04363 -0.3315 -1.55543 -3.01708 0 0 0 0 0 -0.01758 0.01349 0 4.0048 -0.28045 0 -2.7348 -0.58474 0.17485 -2.87223
MET_12 -5.99691 0.47491 5.45007 -0.31761 0.1106 0.0277 2.31679 -2.31468 -0.02812 -0.14718 -2.11552 -0.08814 0 0 0 0 0 0.03135 0.00737 1.18418 0 0.0402 0 0.60916 -0.27477 0.24957 -0.78102
ARG_13 -8.78894 0.90557 9.06635 -0.79702 0.19328 0.51757 3.82377 -4.18159 -0 -0 -4.24021 0.3425 0 0 -1.03738 0 0 -0.00797 0.14119 1.4394 0 -0.06494 0 -1.2888 -0.17385 0.47464 -3.67643
GLU_14 -4.81828 0.22648 5.80771 -0.20889 0.02518 0.28423 2.42346 -2.76605 -0.03068 -0.26134 -2.07804 -0.57612 0 0 0 0 0 -0.012 0.00228 0 3.00838 -0.24714 0 -2.7348 -0.43848 0.43567 -1.95842
ASP_15 -5.10336 0.32937 6.56606 -0.19451 0.00054 0.63825 2.79799 -3.0677 -0 -0 -2.9665 -0.13591 0 0 0 -0.75459 0 -0.01326 0.14679 0 3.30928 0.13992 0 -2.3716 -0.36819 0.26171 -0.7857
SER_16 -5.24736 0.23715 5.9787 -0.03139 0.00024 0.02107 3.07669 -2.90528 -0 -0 -3.35372 -0.0219 0 0 0 0 0 0.02991 0.00928 0.4942 0 0.31417 1.84373 -0.77834 -0.07815 0.24595 -0.16503
ALA_17 -5.52242 0.31485 4.89463 -0.02104 0 0 2.99548 -2.83041 -0.00559 -0.04223 -2.40943 -0.34435 0 0 0 0 0 0.01116 0 0 0 -0.16708 0 1.8394 -0.11074 0.32875 -1.06902
ARG_18 -6.05424 0.3801 7.54187 -0.71512 0.09755 0.45105 2.97336 -3.48793 -0.02749 -0.22908 -3.47381 0.36301 0 0 0 -0.75459 0 0.0568 0.16163 1.45377 0 -0.09644 0 -1.2888 -0.31557 0.41667 -2.54727
VAL_19 -5.253 0.43279 4.74917 -0.30925 0.2327 0.07087 2.79774 -2.72343 -0 -0 -2.00666 -0.09862 0 0 0 0 0 -0.06844 0.00227 0.0456 0 -0.3354 0 1.9342 -0.19496 0.33144 -0.39298
TYR_20 -11.4523 1.35355 6.77948 -0.57714 0.47291 0.26133 4.43418 -3.93975 -0 -0 -3.89626 -0.29846 0 0 -0.66057 -0.10842 0 0.06783 0.00174 0 3.0173 0.11263 0.02961 1.2797 -0.15531 0.81504 -2.46294
GLU_21 -5.35597 0.50063 6.63282 -0.19181 0.01159 0.2314 2.62294 -2.85036 -0.00113 -0.02225 -3.90863 -0.53076 0 0 0 -1.24293 0 -0.04085 0.14573 0 3.01942 -0.19524 0 -2.7348 -0.36996 1.01062 -3.26955
ASN_22 -3.24206 0.20105 3.62155 -0.18076 0.03641 0.27609 1.57261 -1.8474 -0.00559 -0.04223 -0.93498 -0.32646 0 0 0 0 0 -0.03166 0.00013 0 1.47706 0.05894 0 -0.93687 -0.29647 0.50232 -0.09832
VAL_23 -4.33644 0.54168 2.19428 -0.32105 0.20409 0.07344 1.60958 -1.76129 -0 -0 -0.84065 -0.24331 0 0 0 0 0 0.00249 0.01489 0.0984 0 0.35349 0 1.9342 -0.06102 0.43525 -0.10195
GLY_24 -2.37238 0.09026 2.62531 -4e-05 0 0 1.38266 -1.32473 -0.00296 -0.03416 -0.8644 -0.35982 0 0 0 0 0 -0.18249 0 0 0 -1.2654 0 0.83697 -0.32115 0.59393 -1.19841
LEU_25 -9.17079 1.21585 4.11891 -0.51151 0.4354 0.1583 2.29727 -2.64755 -0 -0 -1.86235 0.0709 0 0 0 0 0 -0.05613 0.11717 0.286 0 0.03608 0 0.18072 -0.46374 0.99932 -4.79615
MET_26 -7.46517 1.43477 4.06053 -0.53729 0.31622 0.20265 0.592 -1.79008 -0.00428 -0.07828 0.13712 -0.39654 0 0 0 0 0 0.44023 0.30068 1.253 0 0.20603 0 0.60916 0.61388 3.89391 3.78853
GLN_27 -3.06062 0.69571 2.75973 -0.57073 0.05002 0.44459 0.45051 -1.26916 -0 -0 1.24037 -0.24991 0 0 0 0 0 0.05366 0.38272 0 3.99364 0.48435 0 -0.18838 1.83039 4.27775 11.3246
GLN_28 -5.32048 0.69093 4.09491 -0.2845 0.02239 0.2274 1.84296 -2.0109 -0.01311 -0.12252 -1.97609 -0.38522 0 0 -1.51493 0 0 -0.05686 0.00125 0 3.2585 -0.17089 0 -0.18838 0.91611 1.56582 0.57641
GLN_29 -6.02595 0.72386 4.42985 -0.35215 0.05756 0.19974 1.78785 -2.16073 -0.00508 -0.09261 -1.35306 -0.04645 0 0 0 0 0 0.04188 0.02555 0 3.23135 0.01239 0 -0.18838 -0.31168 0.80272 0.77665
LYS_30 -1.43647 0.18863 1.56148 -0.36525 0.03963 0.17448 0.32739 -0.68784 -0.00015 -0.00062 -0.43749 0.10232 0 0 0 0 0 -0.06202 0.0006 1.63158 0 0.00639 0 -1.5107 -0.42426 0.39984 -0.49247
SER_31 -2.87647 0.1973 2.68622 -0.02743 0 0.04754 1.24914 -1.21512 -0.00428 -0.07828 0.44351 -1.13691 0 0 -0.9296 0 0 -0.01519 0.02644 0.91421 0 -0.37129 0.60021 -0.77834 -0.30238 0.32587 -1.24484
PHE_32 -2.68885 0.17017 1.55439 -1.05138 0.23681 0.43433 0.27457 -0.91605 -0 -0 0.50757 -0.51589 0 0 0 0 0 0.07944 0.04624 0 2.6708 0.06722 0 1.0402 -0.1338 0.43549 2.21126
ARG:CtermProteinFull_33 -3.50217 0.28819 3.78359 -1.03839 0.24884 0.8665 1.56301 -1.6772 -0 -0 -1.41844 -0.01876 0 0 -0.9296 -1.24293 0 0 0.15029 2.76839 0 0 0 -1.2888 -0.1031 0.76063 -0.78992
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 700636 DOMAINID 691034 MODEL 3 SHP2 560-593 AB
MODEL     3
REMARK    Rerank model01.pdb to model03.pdb score: 18.896
REMARK    CLUSTER 0001 t000_.out.valid.rescored.best_scoring.binary cluster_size: 21 cluster_threshold: 1.630932
REMARK    SCORE    fa_intra_rep:           0.275
REMARK    SCORE           score:         -53.311
REMARK    SCORE        hbond_sc:          -1.524
REMARK    SCORE fa_intra_sol_xover4:           6.248
REMARK    SCORE         fa_elec:         -46.310
REMARK    SCORE     rama_prepro:          -2.109
REMARK    SCORE         p_aa_pp:          -4.565
REMARK    SCORE             ref:          -1.484
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     lk_ball_wtd:          -7.086
REMARK    SCORE          fa_rep:          18.584
REMARK    SCORE     hbond_lr_bb:          -2.219
REMARK    SCORE           omega:           0.060
REMARK    SCORE          fa_atr:        -172.532
REMARK    SCORE     cart_bonded:          22.662
REMARK    SCORE          fa_dun:          41.725
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     description: cluster0001_0001
REMARK    SCORE          fa_sol:         121.770
REMARK    SCORE     hbond_sr_bb:         -18.551
REMARK    SCORE     hbond_bb_sc:          -8.257
REMARK    SCORE            time:           0.000
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE     total_score:         -53.311
REMARK    SCORE overlap_chainbreak:           0.000
ATOM      1  N   PRO A   1       2.237  -1.954  -1.555  1.00  7.150          N  
ATOM      2  CA  PRO A   1       2.371  -1.240  -0.282  1.00  6.420          C  
ATOM      3  C   PRO A   1       2.127   0.277  -0.373  1.00  5.540          C  
ATOM      4  O   PRO A   1       3.047   1.050  -0.091  1.00  5.430          O  
ATOM      5  CB  PRO A   1       3.835  -1.528   0.070  1.00  9.630          C  
ATOM      6  CG  PRO A   1       4.523  -1.619  -1.251  1.00  9.630          C  
ATOM      7  CD  PRO A   1       3.533  -2.291  -2.150  1.00  9.630          C  
ATOM      8  HA  PRO A   1       1.701  -1.693   0.464  1.00  7.700          H  
ATOM      9 1HB  PRO A   1       4.243  -0.709   0.658  1.00 11.560          H  
ATOM     10 2HB  PRO A   1       3.913  -2.441   0.677  1.00 11.560          H  
ATOM     11 1HG  PRO A   1       4.797  -0.607  -1.598  1.00 11.560          H  
ATOM     12 2HG  PRO A   1       5.458  -2.183  -1.150  1.00 11.560          H  
ATOM     13 1HD  PRO A   1       3.591  -1.890  -3.171  1.00 11.560          H  
ATOM     14 2HD  PRO A   1       3.669  -3.383  -2.136  1.00 11.560          H  
ATOM     15 1H   PRO A   1       1.776  -1.521  -2.326  1.00 11.560          H  
ATOM     16 2H   PRO A   1       1.836  -2.918  -1.488  1.00 11.560          H  
ATOM     17  N   PRO A   2       0.910   0.736  -0.763  1.00  5.280          N  
ATOM     18  CA  PRO A   2       0.530   2.140  -0.902  1.00  4.880          C  
ATOM     19  C   PRO A   2       1.035   3.039   0.227  1.00  4.030          C  
ATOM     20  O   PRO A   2       1.514   4.141  -0.054  1.00  3.970          O  
ATOM     21  CB  PRO A   2      -0.996   2.060  -0.904  1.00  7.320          C  
ATOM     22  CG  PRO A   2      -1.290   0.737  -1.556  1.00  7.320          C  
ATOM     23  CD  PRO A   2      -0.233  -0.205  -1.027  1.00  7.320          C  
ATOM     24  HA  PRO A   2       0.889   2.512  -1.865  1.00  5.860          H  
ATOM     25 1HB  PRO A   2      -1.388   2.172   0.105  1.00  8.780          H  
ATOM     26 2HB  PRO A   2      -1.399   2.894  -1.491  1.00  8.780          H  
ATOM     27 1HG  PRO A   2      -2.311   0.407  -1.296  1.00  8.780          H  
ATOM     28 2HG  PRO A   2      -1.266   0.842  -2.650  1.00  8.780          H  
ATOM     29 1HD  PRO A   2      -0.572  -0.697  -0.112  1.00  8.780          H  
ATOM     30 2HD  PRO A   2      -0.043  -0.907  -1.826  1.00  8.780          H  
ATOM     31  N   CYS A   3       0.987   2.567   1.482  1.00  3.730          N  
ATOM     32  CA  CYS A   3       1.455   3.396   2.570  1.00  3.210          C  
ATOM     33  C   CYS A   3       2.419   2.703   3.531  1.00  2.560          C  
ATOM     34  O   CYS A   3       2.266   2.876   4.744  1.00  2.790          O  
ATOM     35  CB  CYS A   3       0.271   3.812   3.422  1.00  4.700          C  
ATOM     36  SG  CYS A   3      -1.026   4.616   2.556  1.00  4.700          S  
ATOM     37  H   CYS A   3       0.619   1.640   1.697  1.00  4.480          H  
ATOM     38  HA  CYS A   3       1.951   4.270   2.156  1.00  3.850          H  
ATOM     39 1HB  CYS A   3      -0.137   2.944   3.932  1.00  5.640          H  
ATOM     40 2HB  CYS A   3       0.627   4.504   4.166  1.00  5.640          H  
ATOM     41  HG  CYS A   3      -0.218   5.290   1.728  1.00  5.640          H  
ATOM     42  N   THR A   4       3.420   1.976   3.023  1.00  2.350          N  
ATOM     43  CA  THR A   4       4.430   1.371   3.908  1.00  2.090          C  
ATOM     44  C   THR A   4       5.808   1.529   3.258  1.00  2.010          C  
ATOM     45  O   THR A   4       5.891   1.690   2.042  1.00  2.740          O  
ATOM     46  CB  THR A   4       4.141  -0.127   4.216  1.00  3.030          C  
ATOM     47  OG1 THR A   4       4.260  -0.900   3.039  1.00  3.030          O  
ATOM     48  CG2 THR A   4       2.761  -0.282   4.766  1.00  3.030          C  
ATOM     49  H   THR A   4       3.479   1.842   2.006  1.00  2.820          H  
ATOM     50  HA  THR A   4       4.419   1.913   4.849  1.00  2.510          H  
ATOM     51  HB  THR A   4       4.824  -0.502   4.952  1.00  3.640          H  
ATOM     52  HG1 THR A   4       5.188  -1.018   2.818  1.00  3.640          H  
ATOM     53 1HG2 THR A   4       2.571  -1.328   4.987  1.00  3.640          H  
ATOM     54 2HG2 THR A   4       2.680   0.307   5.674  1.00  3.640          H  
ATOM     55 3HG2 THR A   4       2.052   0.061   4.055  1.00  3.640          H  
ATOM     56  N   PRO A   5       6.912   1.452   4.023  1.00  1.870          N  
ATOM     57  CA  PRO A   5       7.119   1.245   5.456  1.00  1.930          C  
ATOM     58  C   PRO A   5       6.665   2.459   6.218  1.00  1.570          C  
ATOM     59  O   PRO A   5       6.509   3.524   5.619  1.00  1.980          O  
ATOM     60  CB  PRO A   5       8.634   1.068   5.563  1.00  2.900          C  
ATOM     61  CG  PRO A   5       9.183   1.843   4.390  1.00  2.900          C  
ATOM     62  CD  PRO A   5       8.163   1.658   3.288  1.00  2.900          C  
ATOM     63  HA  PRO A   5       6.609   0.345   5.811  1.00  2.320          H  
ATOM     64 1HB  PRO A   5       8.986   1.462   6.535  1.00  3.470          H  
ATOM     65 2HB  PRO A   5       8.896   0.002   5.538  1.00  3.470          H  
ATOM     66 1HG  PRO A   5       9.313   2.903   4.664  1.00  3.470          H  
ATOM     67 2HG  PRO A   5      10.177   1.463   4.114  1.00  3.470          H  
ATOM     68 1HD  PRO A   5       8.089   2.573   2.680  1.00  3.470          H  
ATOM     69 2HD  PRO A   5       8.397   0.775   2.674  1.00  3.470          H  
ATOM     70  N   THR A   6       6.443   2.309   7.514  1.00  1.400          N  
ATOM     71  CA  THR A   6       6.063   3.447   8.316  1.00  1.500          C  
ATOM     72  C   THR A   6       7.149   3.685   9.370  1.00  1.270          C  
ATOM     73  O   THR A   6       7.906   2.762   9.675  1.00  1.300          O  
ATOM     74  CB  THR A   6       4.710   3.174   8.997  1.00  2.060          C  
ATOM     75  OG1 THR A   6       4.843   2.055   9.886  1.00  2.060          O  
ATOM     76  CG2 THR A   6       3.664   2.845   7.928  1.00  2.060          C  
ATOM     77  H   THR A   6       6.555   1.412   7.972  1.00  1.680          H  
ATOM     78  HA  THR A   6       5.953   4.294   7.655  1.00  1.800          H  
ATOM     79  HB  THR A   6       4.386   4.044   9.559  1.00  2.470          H  
ATOM     80  HG1 THR A   6       5.395   2.303  10.648  1.00  2.470          H  
ATOM     81 1HG2 THR A   6       2.703   2.649   8.406  1.00  2.470          H  
ATOM     82 2HG2 THR A   6       3.570   3.687   7.245  1.00  2.470          H  
ATOM     83 3HG2 THR A   6       3.963   1.972   7.366  1.00  2.470          H  
ATOM     84  N   PRO A   7       7.275   4.908   9.916  1.00  1.220          N  
ATOM     85  CA  PRO A   7       8.169   5.268  11.000  1.00  1.110          C  
ATOM     86  C   PRO A   7       7.888   4.488  12.284  1.00  0.960          C  
ATOM     87  O   PRO A   7       6.737   4.114  12.515  1.00  1.000          O  
ATOM     88  CB  PRO A   7       7.850   6.743  11.208  1.00  1.670          C  
ATOM     89  CG  PRO A   7       7.302   7.225   9.891  1.00  1.670          C  
ATOM     90  CD  PRO A   7       6.564   6.069   9.319  1.00  1.670          C  
ATOM     91  HA  PRO A   7       9.192   5.134  10.632  1.00  1.330          H  
ATOM     92 1HB  PRO A   7       7.130   6.850  12.038  1.00  2.000          H  
ATOM     93 2HB  PRO A   7       8.760   7.277  11.506  1.00  2.000          H  
ATOM     94 1HG  PRO A   7       6.635   8.088  10.048  1.00  2.000          H  
ATOM     95 2HG  PRO A   7       8.117   7.574   9.242  1.00  2.000          H  
ATOM     96 1HD  PRO A   7       5.511   6.102   9.596  1.00  2.000          H  
ATOM     97 2HD  PRO A   7       6.722   6.143   8.238  1.00  2.000          H  
ATOM     98  N   PRO A   8       8.918   4.206  13.115  1.00  0.990          N  
ATOM     99  CA  PRO A   8       8.798   3.567  14.417  1.00  1.050          C  
ATOM    100  C   PRO A   8       8.281   4.544  15.475  1.00  0.880          C  
ATOM    101  O   PRO A   8       7.574   4.154  16.405  1.00  1.050          O  
ATOM    102  CB  PRO A   8      10.245   3.151  14.714  1.00  1.580          C  
ATOM    103  CG  PRO A   8      11.105   4.151  13.943  1.00  1.580          C  
ATOM    104  CD  PRO A   8      10.310   4.484  12.694  1.00  1.580          C  
ATOM    105  HA  PRO A   8       8.142   2.691  14.335  1.00  1.260          H  
ATOM    106 1HB  PRO A   8      10.424   3.190  15.799  1.00  1.890          H  
ATOM    107 2HB  PRO A   8      10.411   2.107  14.400  1.00  1.890          H  
ATOM    108 1HG  PRO A   8      11.325   5.033  14.567  1.00  1.890          H  
ATOM    109 2HG  PRO A   8      12.079   3.694  13.705  1.00  1.890          H  
ATOM    110 1HD  PRO A   8      10.452   5.549  12.451  1.00  1.890          H  
ATOM    111 2HD  PRO A   8      10.606   3.813  11.865  1.00  1.890          H  
ATOM    112  N   CYS A   9       8.566   5.825  15.263  1.00  0.710          N  
ATOM    113  CA  CYS A   9       8.140   6.890  16.155  1.00  0.630          C  
ATOM    114  C   CYS A   9       6.681   7.242  15.912  1.00  0.560          C  
ATOM    115  O   CYS A   9       6.290   7.512  14.771  1.00  0.530          O  
ATOM    116  CB  CYS A   9       8.991   8.126  15.915  1.00  0.910          C  
ATOM    117  SG  CYS A   9      10.739   7.887  16.258  1.00  0.910          S  
ATOM    118  H   CYS A   9       9.173   6.070  14.500  1.00  0.850          H  
ATOM    119  HA  CYS A   9       8.263   6.560  17.187  1.00  0.760          H  
ATOM    120 1HB  CYS A   9       8.894   8.420  14.891  1.00  1.100          H  
ATOM    121 2HB  CYS A   9       8.628   8.951  16.537  1.00  1.100          H  
ATOM    122  HG  CYS A   9      11.128   9.081  15.812  1.00  1.100          H  
ATOM    123  N   ALA A  10       5.882   7.272  16.977  1.00  0.590          N  
ATOM    124  CA  ALA A  10       4.462   7.585  16.846  1.00  0.600          C  
ATOM    125  C   ALA A  10       4.216   8.963  16.260  1.00  0.550          C  
ATOM    126  O   ALA A  10       3.283   9.138  15.479  1.00  0.570          O  
ATOM    127  CB  ALA A  10       3.783   7.497  18.195  1.00  0.840          C  
ATOM    128  H   ALA A  10       6.268   7.059  17.887  1.00  0.710          H  
ATOM    129  HA  ALA A  10       4.021   6.856  16.175  1.00  0.720          H  
ATOM    130 1HB  ALA A  10       2.718   7.702  18.078  1.00  1.000          H  
ATOM    131 2HB  ALA A  10       3.922   6.499  18.607  1.00  1.000          H  
ATOM    132 3HB  ALA A  10       4.223   8.236  18.867  1.00  1.000          H  
ATOM    133  N   GLU A  11       5.057   9.932  16.622  1.00  0.560          N  
ATOM    134  CA  GLU A  11       4.893  11.301  16.151  1.00  0.600          C  
ATOM    135  C   GLU A  11       5.059  11.389  14.641  1.00  0.570          C  
ATOM    136  O   GLU A  11       4.392  12.191  13.970  1.00  0.620          O  
ATOM    137  CB  GLU A  11       5.916  12.196  16.851  1.00  0.820          C  
ATOM    138  CG  GLU A  11       5.702  12.321  18.366  1.00  0.820          C  
ATOM    139  CD  GLU A  11       6.249  11.135  19.148  1.00  0.820          C  
ATOM    140  OE1 GLU A  11       6.839  10.261  18.536  1.00  0.820          O  
ATOM    141  OE2 GLU A  11       6.069  11.098  20.338  1.00  0.820          O  
ATOM    142  H   GLU A  11       5.811   9.720  17.277  1.00  0.670          H  
ATOM    143  HA  GLU A  11       3.887  11.637  16.409  1.00  0.720          H  
ATOM    144 1HB  GLU A  11       6.920  11.810  16.675  1.00  0.990          H  
ATOM    145 2HB  GLU A  11       5.872  13.198  16.423  1.00  0.990          H  
ATOM    146 1HG  GLU A  11       6.189  13.231  18.718  1.00  0.990          H  
ATOM    147 2HG  GLU A  11       4.634  12.414  18.560  1.00  0.990          H  
ATOM    148  N   MET A  12       6.000  10.603  14.121  1.00  0.530          N  
ATOM    149  CA  MET A  12       6.281  10.568  12.705  1.00  0.560          C  
ATOM    150  C   MET A  12       5.142   9.865  11.986  1.00  0.550          C  
ATOM    151  O   MET A  12       4.756  10.272  10.883  1.00  0.600          O  
ATOM    152  CB  MET A  12       7.617   9.906  12.448  1.00  0.770          C  
ATOM    153  CG  MET A  12       8.829  10.691  12.933  1.00  0.770          C  
ATOM    154  SD  MET A  12      10.392   9.774  12.738  1.00  0.770          S  
ATOM    155  CE  MET A  12      10.639   9.757  10.961  1.00  0.770          C  
ATOM    156  H   MET A  12       6.513   9.988  14.743  1.00  0.640          H  
ATOM    157  HA  MET A  12       6.326  11.592  12.333  1.00  0.670          H  
ATOM    158 1HB  MET A  12       7.627   8.949  12.947  1.00  0.930          H  
ATOM    159 2HB  MET A  12       7.726   9.742  11.389  1.00  0.930          H  
ATOM    160 1HG  MET A  12       8.899  11.621  12.370  1.00  0.930          H  
ATOM    161 2HG  MET A  12       8.702  10.943  13.985  1.00  0.930          H  
ATOM    162 1HE  MET A  12      11.567   9.232  10.731  1.00  0.930          H  
ATOM    163 2HE  MET A  12       9.815   9.250  10.471  1.00  0.930          H  
ATOM    164 3HE  MET A  12      10.705  10.781  10.591  1.00  0.930          H  
ATOM    165  N   ARG A  13       4.602   8.800  12.603  1.00  0.520          N  
ATOM    166  CA  ARG A  13       3.478   8.109  11.994  1.00  0.540          C  
ATOM    167  C   ARG A  13       2.270   9.029  11.899  1.00  0.540          C  
ATOM    168  O   ARG A  13       1.583   9.010  10.880  1.00  0.570          O  
ATOM    169  CB  ARG A  13       3.081   6.842  12.734  1.00  0.750          C  
ATOM    170  CG  ARG A  13       4.053   5.702  12.576  1.00  0.750          C  
ATOM    171  CD  ARG A  13       3.487   4.392  13.015  1.00  0.750          C  
ATOM    172  NE  ARG A  13       3.183   4.350  14.442  1.00  0.750          N  
ATOM    173  CZ  ARG A  13       4.069   4.033  15.408  1.00  0.750          C  
ATOM    174  NH1 ARG A  13       5.307   3.762  15.102  1.00  0.750          N  
ATOM    175  NH2 ARG A  13       3.687   4.003  16.677  1.00  0.750          N  
ATOM    176  H   ARG A  13       5.010   8.461  13.481  1.00  0.620          H  
ATOM    177  HA  ARG A  13       3.769   7.813  10.988  1.00  0.650          H  
ATOM    178 1HB  ARG A  13       2.999   7.061  13.796  1.00  0.900          H  
ATOM    179 2HB  ARG A  13       2.106   6.507  12.389  1.00  0.900          H  
ATOM    180 1HG  ARG A  13       4.344   5.609  11.542  1.00  0.900          H  
ATOM    181 2HG  ARG A  13       4.938   5.914  13.177  1.00  0.900          H  
ATOM    182 1HD  ARG A  13       2.561   4.212  12.468  1.00  0.900          H  
ATOM    183 2HD  ARG A  13       4.190   3.594  12.779  1.00  0.900          H  
ATOM    184  HE  ARG A  13       2.234   4.552  14.724  1.00  0.900          H  
ATOM    185 1HH1 ARG A  13       5.648   3.799  14.127  1.00  0.900          H  
ATOM    186 2HH1 ARG A  13       5.985   3.563  15.842  1.00  0.900          H  
ATOM    187 1HH2 ARG A  13       2.730   4.210  16.924  1.00  0.900          H  
ATOM    188 2HH2 ARG A  13       4.357   3.766  17.397  1.00  0.900          H  
ATOM    189  N   GLU A  14       2.011   9.836  12.940  1.00  0.540          N  
ATOM    190  CA  GLU A  14       0.884  10.764  12.910  1.00  0.570          C  
ATOM    191  C   GLU A  14       1.061  11.810  11.814  1.00  0.560          C  
ATOM    192  O   GLU A  14       0.103  12.136  11.105  1.00  0.590          O  
ATOM    193  CB  GLU A  14       0.708  11.453  14.265  1.00  0.790          C  
ATOM    194  CG  GLU A  14       0.195  10.543  15.380  1.00  0.790          C  
ATOM    195  CD  GLU A  14       0.126  11.225  16.725  1.00  0.790          C  
ATOM    196  OE1 GLU A  14       0.553  12.354  16.830  1.00  0.790          O  
ATOM    197  OE2 GLU A  14      -0.353  10.614  17.651  1.00  0.790          O  
ATOM    198  H   GLU A  14       2.588   9.767  13.786  1.00  0.650          H  
ATOM    199  HA  GLU A  14      -0.019  10.197  12.700  1.00  0.680          H  
ATOM    200 1HB  GLU A  14       1.669  11.859  14.586  1.00  0.940          H  
ATOM    201 2HB  GLU A  14       0.017  12.288  14.161  1.00  0.940          H  
ATOM    202 1HG  GLU A  14      -0.802  10.198  15.112  1.00  0.940          H  
ATOM    203 2HG  GLU A  14       0.836   9.672  15.451  1.00  0.940          H  
ATOM    204  N   ASP A  15       2.288  12.310  11.629  1.00  0.570          N  
ATOM    205  CA  ASP A  15       2.526  13.296  10.583  1.00  0.620          C  
ATOM    206  C   ASP A  15       2.345  12.639   9.215  1.00  0.610          C  
ATOM    207  O   ASP A  15       1.753  13.229   8.297  1.00  0.630          O  
ATOM    208  CB  ASP A  15       3.933  13.889  10.741  1.00  0.850          C  
ATOM    209  CG  ASP A  15       4.184  15.178   9.931  1.00  0.850          C  
ATOM    210  OD1 ASP A  15       3.555  16.190  10.230  1.00  0.850          O  
ATOM    211  OD2 ASP A  15       5.009  15.150   9.048  1.00  0.850          O  
ATOM    212  H   ASP A  15       3.046  12.060  12.276  1.00  0.680          H  
ATOM    213  HA  ASP A  15       1.791  14.085  10.666  1.00  0.740          H  
ATOM    214 1HB  ASP A  15       4.117  14.092  11.798  1.00  1.020          H  
ATOM    215 2HB  ASP A  15       4.667  13.137  10.435  1.00  1.020          H  
ATOM    216  N   SER A  16       2.814  11.393   9.093  1.00  0.610          N  
ATOM    217  CA  SER A  16       2.695  10.650   7.858  1.00  0.650          C  
ATOM    218  C   SER A  16       1.223  10.422   7.554  1.00  0.620          C  
ATOM    219  O   SER A  16       0.801  10.560   6.403  1.00  0.660          O  
ATOM    220  CB  SER A  16       3.412   9.320   7.989  1.00  0.890          C  
ATOM    221  OG  SER A  16       4.791   9.503   8.174  1.00  0.890          O  
ATOM    222  H   SER A  16       3.319  10.968   9.869  1.00  0.730          H  
ATOM    223  HA  SER A  16       3.141  11.229   7.051  1.00  0.780          H  
ATOM    224 1HB  SER A  16       3.000   8.752   8.812  1.00  1.070          H  
ATOM    225 2HB  SER A  16       3.250   8.752   7.094  1.00  1.070          H  
ATOM    226  HG  SER A  16       4.891   9.860   9.087  1.00  1.070          H  
ATOM    227  N   ALA A  17       0.435  10.093   8.594  1.00  0.580          N  
ATOM    228  CA  ALA A  17      -0.989   9.843   8.459  1.00  0.570          C  
ATOM    229  C   ALA A  17      -1.705  11.058   7.921  1.00  0.530          C  
ATOM    230  O   ALA A  17      -2.570  10.919   7.052  1.00  0.550          O  
ATOM    231  CB  ALA A  17      -1.589   9.470   9.798  1.00  0.800          C  
ATOM    232  H   ALA A  17       0.869   9.954   9.505  1.00  0.700          H  
ATOM    233  HA  ALA A  17      -1.126   9.020   7.765  1.00  0.680          H  
ATOM    234 1HB  ALA A  17      -2.651   9.263   9.677  1.00  0.960          H  
ATOM    235 2HB  ALA A  17      -1.088   8.600  10.196  1.00  0.960          H  
ATOM    236 3HB  ALA A  17      -1.462  10.291  10.488  1.00  0.960          H  
ATOM    237  N   ARG A  18      -1.334  12.249   8.412  1.00  0.520          N  
ATOM    238  CA  ARG A  18      -1.936  13.485   7.933  1.00  0.540          C  
ATOM    239  C   ARG A  18      -1.657  13.671   6.450  1.00  0.580          C  
ATOM    240  O   ARG A  18      -2.563  14.015   5.687  1.00  0.610          O  
ATOM    241  CB  ARG A  18      -1.437  14.682   8.736  1.00  0.750          C  
ATOM    242  CG  ARG A  18      -2.011  14.780  10.163  1.00  0.750          C  
ATOM    243  CD  ARG A  18      -1.718  16.105  10.816  1.00  0.750          C  
ATOM    244  NE  ARG A  18      -0.287  16.263  11.136  1.00  0.750          N  
ATOM    245  CZ  ARG A  18       0.306  15.877  12.299  1.00  0.750          C  
ATOM    246  NH1 ARG A  18      -0.390  15.320  13.273  1.00  0.750          N  
ATOM    247  NH2 ARG A  18       1.608  16.052  12.465  1.00  0.750          N  
ATOM    248  H   ARG A  18      -0.660  12.270   9.186  1.00  0.620          H  
ATOM    249  HA  ARG A  18      -3.015  13.414   8.071  1.00  0.650          H  
ATOM    250 1HB  ARG A  18      -0.353  14.628   8.825  1.00  0.900          H  
ATOM    251 2HB  ARG A  18      -1.679  15.601   8.207  1.00  0.900          H  
ATOM    252 1HG  ARG A  18      -3.093  14.650  10.122  1.00  0.900          H  
ATOM    253 2HG  ARG A  18      -1.580  13.994  10.776  1.00  0.900          H  
ATOM    254 1HD  ARG A  18      -1.999  16.906  10.132  1.00  0.900          H  
ATOM    255 2HD  ARG A  18      -2.297  16.203  11.729  1.00  0.900          H  
ATOM    256  HE  ARG A  18       0.309  16.686  10.429  1.00  0.900          H  
ATOM    257 1HH1 ARG A  18      -1.380  15.167  13.178  1.00  0.900          H  
ATOM    258 2HH1 ARG A  18       0.087  15.039  14.122  1.00  0.900          H  
ATOM    259 1HH2 ARG A  18       2.190  16.443  11.699  1.00  0.900          H  
ATOM    260 2HH2 ARG A  18       2.051  15.749  13.320  1.00  0.900          H  
ATOM    261  N   VAL A  19      -0.429  13.377   6.021  1.00  0.640          N  
ATOM    262  CA  VAL A  19      -0.117  13.481   4.605  1.00  0.740          C  
ATOM    263  C   VAL A  19      -0.923  12.465   3.801  1.00  0.710          C  
ATOM    264  O   VAL A  19      -1.509  12.818   2.777  1.00  0.750          O  
ATOM    265  CB  VAL A  19       1.382  13.276   4.329  1.00  1.000          C  
ATOM    266  CG1 VAL A  19       1.632  13.204   2.796  1.00  1.000          C  
ATOM    267  CG2 VAL A  19       2.161  14.425   4.959  1.00  1.000          C  
ATOM    268  H   VAL A  19       0.292  13.140   6.714  1.00  0.770          H  
ATOM    269  HA  VAL A  19      -0.385  14.482   4.270  1.00  0.890          H  
ATOM    270  HB  VAL A  19       1.709  12.331   4.766  1.00  1.200          H  
ATOM    271 1HG1 VAL A  19       2.694  13.059   2.613  1.00  1.200          H  
ATOM    272 2HG1 VAL A  19       1.085  12.373   2.352  1.00  1.200          H  
ATOM    273 3HG1 VAL A  19       1.308  14.136   2.330  1.00  1.200          H  
ATOM    274 1HG2 VAL A  19       3.226  14.288   4.782  1.00  1.200          H  
ATOM    275 2HG2 VAL A  19       1.835  15.367   4.522  1.00  1.200          H  
ATOM    276 3HG2 VAL A  19       1.979  14.446   6.035  1.00  1.200          H  
ATOM    277  N   TYR A  20      -0.979  11.214   4.268  1.00  0.690          N  
ATOM    278  CA  TYR A  20      -1.708  10.179   3.560  1.00  0.740          C  
ATOM    279  C   TYR A  20      -3.176  10.601   3.388  1.00  0.650          C  
ATOM    280  O   TYR A  20      -3.798  10.359   2.338  1.00  0.720          O  
ATOM    281  CB  TYR A  20      -1.576   8.819   4.285  1.00  1.020          C  
ATOM    282  CG  TYR A  20      -0.200   8.158   4.168  1.00  1.020          C  
ATOM    283  CD1 TYR A  20       0.542   7.825   5.277  1.00  1.020          C  
ATOM    284  CD2 TYR A  20       0.308   7.904   2.944  1.00  1.020          C  
ATOM    285  CE1 TYR A  20       1.788   7.251   5.133  1.00  1.020          C  
ATOM    286  CE2 TYR A  20       1.550   7.328   2.791  1.00  1.020          C  
ATOM    287  CZ  TYR A  20       2.288   7.010   3.887  1.00  1.020          C  
ATOM    288  OH  TYR A  20       3.539   6.455   3.739  1.00  1.020          O  
ATOM    289  H   TYR A  20      -0.462  10.976   5.120  1.00  0.830          H  
ATOM    290  HA  TYR A  20      -1.281  10.086   2.568  1.00  0.890          H  
ATOM    291 1HB  TYR A  20      -1.809   8.945   5.340  1.00  1.220          H  
ATOM    292 2HB  TYR A  20      -2.276   8.141   3.882  1.00  1.220          H  
ATOM    293  HD1 TYR A  20       0.155   8.012   6.267  1.00  1.220          H  
ATOM    294  HD2 TYR A  20      -0.271   8.156   2.093  1.00  1.220          H  
ATOM    295  HE1 TYR A  20       2.372   6.994   6.004  1.00  1.220          H  
ATOM    296  HE2 TYR A  20       1.949   7.131   1.795  1.00  1.220          H  
ATOM    297  HH  TYR A  20       3.934   6.291   4.601  1.00  1.220          H  
ATOM    298  N   GLU A  21      -3.770  11.211   4.419  1.00  0.550          N  
ATOM    299  CA  GLU A  21      -5.134  11.698   4.259  1.00  0.600          C  
ATOM    300  C   GLU A  21      -5.196  12.795   3.199  1.00  0.630          C  
ATOM    301  O   GLU A  21      -6.005  12.728   2.267  1.00  0.710          O  
ATOM    302  CB  GLU A  21      -5.696  12.265   5.573  1.00  0.820          C  
ATOM    303  CG  GLU A  21      -7.162  12.760   5.455  1.00  0.820          C  
ATOM    304  CD  GLU A  21      -7.762  13.247   6.746  1.00  0.820          C  
ATOM    305  OE1 GLU A  21      -7.102  13.210   7.755  1.00  0.820          O  
ATOM    306  OE2 GLU A  21      -8.894  13.664   6.718  1.00  0.820          O  
ATOM    307  H   GLU A  21      -3.277  11.309   5.313  1.00  0.660          H  
ATOM    308  HA  GLU A  21      -5.759  10.877   3.926  1.00  0.720          H  
ATOM    309 1HB  GLU A  21      -5.632  11.514   6.357  1.00  0.980          H  
ATOM    310 2HB  GLU A  21      -5.084  13.110   5.890  1.00  0.980          H  
ATOM    311 1HG  GLU A  21      -7.194  13.583   4.741  1.00  0.980          H  
ATOM    312 2HG  GLU A  21      -7.776  11.957   5.056  1.00  0.980          H  
ATOM    313  N   ASN A  22      -4.295  13.777   3.301  1.00  0.650          N  
ATOM    314  CA  ASN A  22      -4.292  14.948   2.429  1.00  0.780          C  
ATOM    315  C   ASN A  22      -4.119  14.630   0.954  1.00  0.830          C  
ATOM    316  O   ASN A  22      -4.697  15.311   0.102  1.00  0.960          O  
ATOM    317  CB  ASN A  22      -3.193  15.902   2.851  1.00  1.040          C  
ATOM    318  CG  ASN A  22      -3.490  16.625   4.135  1.00  1.040          C  
ATOM    319  OD1 ASN A  22      -4.644  16.754   4.563  1.00  1.040          O  
ATOM    320  ND2 ASN A  22      -2.453  17.103   4.770  1.00  1.040          N  
ATOM    321  H   ASN A  22      -3.626  13.747   4.077  1.00  0.780          H  
ATOM    322  HA  ASN A  22      -5.254  15.447   2.539  1.00  0.940          H  
ATOM    323 1HB  ASN A  22      -2.267  15.346   2.970  1.00  1.250          H  
ATOM    324 2HB  ASN A  22      -3.031  16.635   2.062  1.00  1.250          H  
ATOM    325 1HD2 ASN A  22      -2.580  17.592   5.631  1.00  1.250          H  
ATOM    326 2HD2 ASN A  22      -1.535  16.982   4.397  1.00  1.250          H  
ATOM    327  N   VAL A  23      -3.374  13.579   0.636  1.00  0.780          N  
ATOM    328  CA  VAL A  23      -3.153  13.260  -0.767  1.00  0.910          C  
ATOM    329  C   VAL A  23      -4.048  12.118  -1.277  1.00  0.830          C  
ATOM    330  O   VAL A  23      -3.840  11.641  -2.395  1.00  0.970          O  
ATOM    331  CB  VAL A  23      -1.665  12.908  -1.031  1.00  1.220          C  
ATOM    332  CG1 VAL A  23      -0.784  14.079  -0.599  1.00  1.220          C  
ATOM    333  CG2 VAL A  23      -1.275  11.618  -0.344  1.00  1.220          C  
ATOM    334  H   VAL A  23      -2.886  13.083   1.389  1.00  0.940          H  
ATOM    335  HA  VAL A  23      -3.384  14.149  -1.351  1.00  1.090          H  
ATOM    336  HB  VAL A  23      -1.525  12.785  -2.105  1.00  1.470          H  
ATOM    337 1HG1 VAL A  23       0.257  13.855  -0.821  1.00  1.470          H  
ATOM    338 2HG1 VAL A  23      -1.087  14.977  -1.137  1.00  1.470          H  
ATOM    339 3HG1 VAL A  23      -0.897  14.242   0.473  1.00  1.470          H  
ATOM    340 1HG2 VAL A  23      -0.236  11.383  -0.563  1.00  1.470          H  
ATOM    341 2HG2 VAL A  23      -1.399  11.705   0.709  1.00  1.470          H  
ATOM    342 3HG2 VAL A  23      -1.907  10.836  -0.712  1.00  1.470          H  
ATOM    343  N   GLY A  24      -5.013  11.647  -0.467  1.00  0.750          N  
ATOM    344  CA  GLY A  24      -5.910  10.577  -0.911  1.00  0.810          C  
ATOM    345  C   GLY A  24      -5.243   9.199  -0.996  1.00  0.890          C  
ATOM    346  O   GLY A  24      -5.621   8.373  -1.845  1.00  1.080          O  
ATOM    347  H   GLY A  24      -5.165  12.073   0.456  1.00  0.900          H  
ATOM    348 1HA  GLY A  24      -6.754  10.526  -0.222  1.00  0.970          H  
ATOM    349 2HA  GLY A  24      -6.318  10.839  -1.884  1.00  0.970          H  
ATOM    350  N   LEU A  25      -4.246   8.962  -0.144  1.00  0.860          N  
ATOM    351  CA  LEU A  25      -3.491   7.724  -0.136  1.00  1.030          C  
ATOM    352  C   LEU A  25      -3.814   6.841   1.072  1.00  1.030          C  
ATOM    353  O   LEU A  25      -3.723   5.620   0.997  1.00  1.260          O  
ATOM    354  CB  LEU A  25      -2.009   8.079  -0.316  1.00  1.370          C  
ATOM    355  CG  LEU A  25      -0.950   6.976  -0.347  1.00  1.370          C  
ATOM    356  CD1 LEU A  25      -1.230   5.963  -1.414  1.00  1.370          C  
ATOM    357  CD2 LEU A  25       0.393   7.629  -0.641  1.00  1.370          C  
ATOM    358  H   LEU A  25      -4.024   9.663   0.568  1.00  1.030          H  
ATOM    359  HA  LEU A  25      -3.780   7.170  -1.016  1.00  1.240          H  
ATOM    360 1HB  LEU A  25      -1.921   8.611  -1.261  1.00  1.650          H  
ATOM    361 2HB  LEU A  25      -1.745   8.762   0.480  1.00  1.650          H  
ATOM    362  HG  LEU A  25      -0.918   6.492   0.583  1.00  1.650          H  
ATOM    363 1HD1 LEU A  25      -0.443   5.213  -1.412  1.00  1.650          H  
ATOM    364 2HD1 LEU A  25      -2.169   5.487  -1.211  1.00  1.650          H  
ATOM    365 3HD1 LEU A  25      -1.263   6.443  -2.388  1.00  1.650          H  
ATOM    366 1HD2 LEU A  25       1.170   6.856  -0.653  1.00  1.650          H  
ATOM    367 2HD2 LEU A  25       0.354   8.117  -1.612  1.00  1.650          H  
ATOM    368 3HD2 LEU A  25       0.634   8.370   0.108  1.00  1.650          H  
ATOM    369  N   MET A  26      -4.268   7.416   2.190  1.00  0.990          N  
ATOM    370  CA  MET A  26      -4.517   6.576   3.377  1.00  1.180          C  
ATOM    371  C   MET A  26      -5.585   5.529   3.070  1.00  1.120          C  
ATOM    372  O   MET A  26      -5.532   4.385   3.518  1.00  1.280          O  
ATOM    373  CB  MET A  26      -5.047   7.416   4.555  1.00  1.580          C  
ATOM    374  CG  MET A  26      -6.545   7.846   4.435  1.00  1.580          C  
ATOM    375  SD  MET A  26      -7.113   9.014   5.677  1.00  1.580          S  
ATOM    376  CE  MET A  26      -7.055   8.128   7.206  1.00  1.580          C  
ATOM    377  H   MET A  26      -4.345   8.432   2.228  1.00  1.190          H  
ATOM    378  HA  MET A  26      -3.598   6.059   3.654  1.00  1.420          H  
ATOM    379 1HB  MET A  26      -4.952   6.844   5.466  1.00  1.890          H  
ATOM    380 2HB  MET A  26      -4.465   8.314   4.673  1.00  1.890          H  
ATOM    381 1HG  MET A  26      -6.720   8.298   3.466  1.00  1.890          H  
ATOM    382 2HG  MET A  26      -7.178   6.962   4.530  1.00  1.890          H  
ATOM    383 1HE  MET A  26      -7.409   8.774   8.008  1.00  1.890          H  
ATOM    384 2HE  MET A  26      -7.684   7.233   7.151  1.00  1.890          H  
ATOM    385 3HE  MET A  26      -6.031   7.838   7.415  1.00  1.890          H  
ATOM    386  N   GLN A  27      -6.505   5.888   2.179  1.00  1.130          N  
ATOM    387  CA  GLN A  27      -7.599   5.023   1.792  1.00  1.310          C  
ATOM    388  C   GLN A  27      -7.139   3.772   1.061  1.00  1.330          C  
ATOM    389  O   GLN A  27      -7.913   2.822   0.934  1.00  1.650          O  
ATOM    390  CB  GLN A  27      -8.593   5.791   0.910  1.00  1.760          C  
ATOM    391  CG  GLN A  27      -8.070   6.153  -0.484  1.00  1.760          C  
ATOM    392  CD  GLN A  27      -9.066   6.979  -1.279  1.00  1.760          C  
ATOM    393  OE1 GLN A  27     -10.275   6.735  -1.203  1.00  1.760          O  
ATOM    394  NE2 GLN A  27      -8.576   7.951  -2.048  1.00  1.760          N  
ATOM    395  H   GLN A  27      -6.488   6.831   1.819  1.00  1.360          H  
ATOM    396  HA  GLN A  27      -8.115   4.710   2.697  1.00  1.570          H  
ATOM    397 1HB  GLN A  27      -9.496   5.195   0.784  1.00  2.110          H  
ATOM    398 2HB  GLN A  27      -8.878   6.716   1.409  1.00  2.110          H  
ATOM    399 1HG  GLN A  27      -7.145   6.720  -0.391  1.00  2.110          H  
ATOM    400 2HG  GLN A  27      -7.890   5.238  -1.044  1.00  2.110          H  
ATOM    401 1HE2 GLN A  27      -9.196   8.517  -2.596  1.00  2.110          H  
ATOM    402 2HE2 GLN A  27      -7.564   8.122  -2.086  1.00  2.110          H  
ATOM    403  N   GLN A  28      -5.907   3.773   0.550  1.00  1.180          N  
ATOM    404  CA  GLN A  28      -5.399   2.674  -0.244  1.00  1.410          C  
ATOM    405  C   GLN A  28      -4.753   1.540   0.569  1.00  1.450          C  
ATOM    406  O   GLN A  28      -4.473   0.481  -0.003  1.00  1.790          O  
ATOM    407  CB  GLN A  28      -4.398   3.233  -1.255  1.00  1.880          C  
ATOM    408  CG  GLN A  28      -5.022   4.222  -2.265  1.00  1.880          C  
ATOM    409  CD  GLN A  28      -4.011   4.800  -3.250  1.00  1.880          C  
ATOM    410  OE1 GLN A  28      -3.203   4.055  -3.820  1.00  1.880          O  
ATOM    411  NE2 GLN A  28      -4.037   6.127  -3.453  1.00  1.880          N  
ATOM    412  H   GLN A  28      -5.277   4.557   0.739  1.00  1.420          H  
ATOM    413  HA  GLN A  28      -6.235   2.249  -0.795  1.00  1.690          H  
ATOM    414 1HB  GLN A  28      -3.608   3.744  -0.719  1.00  2.260          H  
ATOM    415 2HB  GLN A  28      -3.949   2.416  -1.812  1.00  2.260          H  
ATOM    416 1HG  GLN A  28      -5.805   3.717  -2.825  1.00  2.260          H  
ATOM    417 2HG  GLN A  28      -5.443   5.057  -1.707  1.00  2.260          H  
ATOM    418 1HE2 GLN A  28      -3.389   6.546  -4.089  1.00  2.260          H  
ATOM    419 2HE2 GLN A  28      -4.706   6.743  -2.958  1.00  2.260          H  
ATOM    420  N   GLN A  29      -4.521   1.723   1.879  1.00  1.260          N  
ATOM    421  CA  GLN A  29      -3.904   0.644   2.648  1.00  1.440          C  
ATOM    422  C   GLN A  29      -4.252   0.658   4.132  1.00  1.350          C  
ATOM    423  O   GLN A  29      -4.231   1.709   4.781  1.00  1.500          O  
ATOM    424  CB  GLN A  29      -2.383   0.600   2.447  1.00  1.940          C  
ATOM    425  CG  GLN A  29      -1.719  -0.548   3.201  1.00  1.940          C  
ATOM    426  CD  GLN A  29      -0.325  -0.833   2.808  1.00  1.940          C  
ATOM    427  OE1 GLN A  29       0.389  -0.041   2.191  1.00  1.940          O  
ATOM    428  NE2 GLN A  29       0.105  -2.037   3.176  1.00  1.940          N  
ATOM    429  H   GLN A  29      -4.772   2.607   2.342  1.00  1.510          H  
ATOM    430  HA  GLN A  29      -4.294  -0.294   2.250  1.00  1.730          H  
ATOM    431 1HB  GLN A  29      -2.172   0.461   1.402  1.00  2.330          H  
ATOM    432 2HB  GLN A  29      -1.940   1.542   2.761  1.00  2.330          H  
ATOM    433 1HG  GLN A  29      -1.692  -0.295   4.247  1.00  2.330          H  
ATOM    434 2HG  GLN A  29      -2.294  -1.456   3.043  1.00  2.330          H  
ATOM    435 1HE2 GLN A  29       1.040  -2.342   2.974  1.00  2.330          H  
ATOM    436 2HE2 GLN A  29      -0.503  -2.657   3.678  1.00  2.330          H  
ATOM    437  N   LYS A  30      -4.471  -0.555   4.664  1.00  1.690          N  
ATOM    438  CA  LYS A  30      -4.825  -0.843   6.056  1.00  1.860          C  
ATOM    439  C   LYS A  30      -4.057  -0.049   7.101  1.00  1.730          C  
ATOM    440  O   LYS A  30      -4.645   0.380   8.096  1.00  2.150          O  
ATOM    441  CB  LYS A  30      -4.637  -2.336   6.326  1.00  2.540          C  
ATOM    442  CG  LYS A  30      -5.013  -2.794   7.735  1.00  2.540          C  
ATOM    443  CD  LYS A  30      -4.853  -4.308   7.879  1.00  2.540          C  
ATOM    444  CE  LYS A  30      -5.176  -4.774   9.294  1.00  2.540          C  
ATOM    445  NZ  LYS A  30      -5.021  -6.252   9.441  1.00  2.540          N  
ATOM    446  H   LYS A  30      -4.427  -1.341   4.028  1.00  2.030          H  
ATOM    447  HA  LYS A  30      -5.877  -0.609   6.190  1.00  2.230          H  
ATOM    448 1HB  LYS A  30      -5.236  -2.908   5.619  1.00  3.040          H  
ATOM    449 2HB  LYS A  30      -3.592  -2.602   6.159  1.00  3.040          H  
ATOM    450 1HG  LYS A  30      -4.367  -2.307   8.469  1.00  3.040          H  
ATOM    451 2HG  LYS A  30      -6.045  -2.515   7.946  1.00  3.040          H  
ATOM    452 1HD  LYS A  30      -5.520  -4.814   7.179  1.00  3.040          H  
ATOM    453 2HD  LYS A  30      -3.827  -4.587   7.642  1.00  3.040          H  
ATOM    454 1HE  LYS A  30      -4.507  -4.277   9.994  1.00  3.040          H  
ATOM    455 2HE  LYS A  30      -6.202  -4.501   9.534  1.00  3.040          H  
ATOM    456 1HZ  LYS A  30      -5.242  -6.522  10.390  1.00  3.040          H  
ATOM    457 2HZ  LYS A  30      -5.647  -6.724   8.804  1.00  3.040          H  
ATOM    458 3HZ  LYS A  30      -4.069  -6.516   9.232  1.00  3.040          H  
ATOM    459  N   SER A  31      -2.762   0.177   6.886  1.00  1.730          N  
ATOM    460  CA  SER A  31      -1.917   0.860   7.852  1.00  1.880          C  
ATOM    461  C   SER A  31      -2.502   2.189   8.339  1.00  1.700          C  
ATOM    462  O   SER A  31      -2.301   2.552   9.501  1.00  2.030          O  
ATOM    463  CB  SER A  31      -0.549   1.109   7.235  1.00  2.570          C  
ATOM    464  OG  SER A  31       0.118  -0.103   6.987  1.00  2.570          O  
ATOM    465  H   SER A  31      -2.322  -0.185   6.055  1.00  2.080          H  
ATOM    466  HA  SER A  31      -1.798   0.206   8.716  1.00  2.260          H  
ATOM    467 1HB  SER A  31      -0.667   1.661   6.298  1.00  3.090          H  
ATOM    468 2HB  SER A  31       0.048   1.727   7.903  1.00  3.090          H  
ATOM    469  HG  SER A  31       0.973   0.130   6.610  1.00  3.090          H  
ATOM    470  N   PHE A  32      -3.189   2.937   7.462  1.00  1.880          N  
ATOM    471  CA  PHE A  32      -3.740   4.225   7.873  1.00  2.210          C  
ATOM    472  C   PHE A  32      -5.256   4.340   7.709  1.00  2.430          C  
ATOM    473  O   PHE A  32      -5.768   5.455   7.639  1.00  3.130          O  
ATOM    474  CB  PHE A  32      -3.024   5.360   7.136  1.00  2.960          C  
ATOM    475  CG  PHE A  32      -1.578   5.431   7.497  1.00  2.960          C  
ATOM    476  CD1 PHE A  32      -0.648   4.791   6.742  1.00  2.960          C  
ATOM    477  CD2 PHE A  32      -1.159   6.134   8.603  1.00  2.960          C  
ATOM    478  CE1 PHE A  32       0.682   4.834   7.080  1.00  2.960          C  
ATOM    479  CE2 PHE A  32       0.181   6.195   8.949  1.00  2.960          C  
ATOM    480  CZ  PHE A  32       1.100   5.540   8.186  1.00  2.960          C  
ATOM    481  H   PHE A  32      -3.367   2.608   6.507  1.00  2.260          H  
ATOM    482  HA  PHE A  32      -3.531   4.351   8.932  1.00  2.650          H  
ATOM    483 1HB  PHE A  32      -3.106   5.207   6.060  1.00  3.550          H  
ATOM    484 2HB  PHE A  32      -3.486   6.315   7.379  1.00  3.550          H  
ATOM    485  HD1 PHE A  32      -0.978   4.234   5.875  1.00  3.550          H  
ATOM    486  HD2 PHE A  32      -1.902   6.640   9.212  1.00  3.550          H  
ATOM    487  HE1 PHE A  32       1.409   4.308   6.465  1.00  3.550          H  
ATOM    488  HE2 PHE A  32       0.501   6.758   9.830  1.00  3.550          H  
ATOM    489  HZ  PHE A  32       2.153   5.572   8.446  1.00  3.550          H  
ATOM    490  N   ARG A  33      -5.973   3.216   7.677  1.00  2.460          N  
ATOM    491  CA  ARG A  33      -7.433   3.258   7.541  1.00  3.110          C  
ATOM    492  C   ARG A  33      -8.153   3.220   8.893  1.00  3.580          C  
ATOM    493  O   ARG A  33      -7.663   3.731   9.902  1.00  4.400          O  
ATOM    494  OXT ARG A  33      -9.280   2.729   8.949  1.00  4.670          O  
ATOM    495  CB  ARG A  33      -7.958   2.110   6.678  1.00  3.810          C  
ATOM    496  CG  ARG A  33      -7.670   2.177   5.178  1.00  3.810          C  
ATOM    497  CD  ARG A  33      -8.147   0.927   4.498  1.00  3.810          C  
ATOM    498  NE  ARG A  33      -7.981   0.948   3.039  1.00  3.810          N  
ATOM    499  CZ  ARG A  33      -7.942  -0.128   2.232  1.00  3.810          C  
ATOM    500  NH1 ARG A  33      -8.011  -1.355   2.710  1.00  3.810          N  
ATOM    501  NH2 ARG A  33      -7.837   0.084   0.940  1.00  3.810          N  
ATOM    502  H   ARG A  33      -5.492   2.314   7.772  1.00  2.950          H  
ATOM    503  HA  ARG A  33      -7.696   4.191   7.040  1.00  3.730          H  
ATOM    504 1HB  ARG A  33      -7.526   1.179   7.042  1.00  4.570          H  
ATOM    505 2HB  ARG A  33      -9.037   2.033   6.792  1.00  4.570          H  
ATOM    506 1HG  ARG A  33      -8.185   3.027   4.738  1.00  4.570          H  
ATOM    507 2HG  ARG A  33      -6.609   2.289   5.016  1.00  4.570          H  
ATOM    508 1HD  ARG A  33      -7.594   0.093   4.887  1.00  4.570          H  
ATOM    509 2HD  ARG A  33      -9.204   0.791   4.716  1.00  4.570          H  
ATOM    510  HE  ARG A  33      -7.949   1.849   2.554  1.00  4.570          H  
ATOM    511 1HH1 ARG A  33      -8.098  -1.509   3.700  1.00  4.570          H  
ATOM    512 2HH1 ARG A  33      -7.984  -2.142   2.078  1.00  4.570          H  
ATOM    513 1HH2 ARG A  33      -7.803   1.064   0.620  1.00  4.570          H  
ATOM    514 2HH2 ARG A  33      -7.804  -0.679   0.285  1.00  4.570          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 -172.512 18.5866 142.664 -9.17736 2.36758 7.12722 61.573 -70.7637 -0.26909 -2.08925 -52.6422 -5.48209 -21.0212 -2.51394 -9.00152 -1.5106 0 0.06781 2.03411 15.5436 29.0358 -4.63481 7.0117 -13.9038 -2.337 19.3638 -62.4834
PRO:NtermProteinFull_1 -2.67217 0.6203 2.69536 -0.17494 0.11479 0.12201 1.05312 -1.07007 -0 -0 -0.36459 1.37706 0 0 0 0 0 -4e-05 0.00735 0.05654 0 0 0 -2.4119 0 0.84695 0.19976
PRO_2 -4.78657 0.66045 2.41341 -0.06598 0 0.04191 0.57448 -0.87534 -0 -0 0.04157 0.60833 0 0 0 0 0 -0.09659 0.03147 0.10223 0 -0.6107 0 -2.4119 0.5259 1.18127 -2.66605
CYS_3 -7.61415 0.94249 2.77692 -0.06264 0.05908 0.02799 1.26734 -1.68009 -0 -0 -1.79627 -0.70866 0 0 -0.9547 0 0 0.15013 0.1366 0.32129 0 -0.17418 0 3.6196 1.49969 0.71935 -1.4702
THR_4 -4.04185 0.79979 2.82334 -0.11158 0.05849 0.08105 1.06476 -1.57843 -0.01925 -0.1577 -0.44658 -0.45114 0 0 0 0 0 0.00167 0.01201 0.19271 0 -0.22804 2.28326 -1.0874 0.7521 1.18362 1.13083
PRO_5 -1.60945 0.39632 0.96134 -0.1963 0.00372 0.14034 0.05855 -0.50738 -0.01461 -0.15032 -0.05746 0.10095 0 0 0 0 0 -0.01372 0.00033 0.49923 0 -1.0353 0 -2.4119 -0.34066 0.94178 -3.23452
THR_6 -3.30336 0.46869 1.13935 -0.12045 0.08603 0.0854 0.43887 -0.74482 -0 -0 -0.34706 -0.63509 0 0 0 0 0 0.05511 0.00146 0.14814 0 -0.31893 2.27926 -1.0874 -0.24032 0.85324 -1.24188
PRO_7 -5.34659 0.971 3.73044 -0.11995 0.00092 0.08923 1.29686 -1.32795 -0 -0 -0.42126 0.26098 0 0 -0.74389 0 0 0.04433 0.03203 0.19743 0 -1.09793 0 -2.4119 -0.3563 1.42616 -3.77639
PRO_8 -2.48072 0.49722 1.80401 -0.08783 0.00039 0.05496 0.58235 -0.76172 -0 -0 -0.46252 0.7773 0 0 -0.23219 0 0 0.13833 0.02886 0.29405 0 0.97168 0 -2.4119 0.11018 0.91858 -0.25897
CYS_9 -5.12886 0.29319 4.72709 -0.04918 0.00171 0.01903 1.87892 -2.01682 -0 -0 -1.58488 -0.21401 0 0 0 0 0 -0.04661 0.02274 0.55536 0 0.15215 0 3.6196 0.19579 0.26376 2.689
ALA_10 -4.04717 0.22076 4.57862 -0.0232 0 0 1.60798 -2.28473 -0 -0 -0.96827 -0.35794 0 0 0 0 0 -0.06727 0 0 0 -0.34591 0 1.8394 -0.45969 0.13626 -0.17115
GLU_11 -3.62884 0.14983 4.44041 -0.45999 0.26164 1.45076 1.28618 -2.05955 -0.04914 -0.36983 -1.58734 -3.02376 0 0 0 0 0 -0.01628 0.00901 0 4.01333 -0.3004 0 -2.7348 -0.60931 0.1474 -3.08067
MET_12 -6.13434 0.53931 5.42334 -0.31095 0.09717 0.03066 2.29682 -2.31246 -0.02817 -0.15031 -2.05166 -0.10636 0 0 0 0 0 0.13267 0.01134 1.18707 0 0.056 0 0.60916 -0.27125 0.23993 -0.74204
ARG_13 -8.92316 0.63686 9.06667 -0.78955 0.14304 0.51871 4.00533 -4.24152 -0 -0 -4.32877 0.31378 0 0 -0.97608 0 0 0.03809 0.05774 1.43827 0 -0.08964 0 -1.2888 -0.18403 0.42161 -4.18145
GLU_14 -5.09502 0.29656 6.02169 -0.21004 0.02473 0.28785 2.56566 -2.90871 -0.03202 -0.28883 -2.09023 -0.58709 0 0 0 0 0 0.02677 0.00928 0 3.01539 -0.24986 0 -2.7348 -0.48114 0.38914 -2.04068
ASP_15 -5.0865 0.3592 6.53931 -0.19296 0.00054 0.63342 2.85486 -3.0572 -0 -0 -3.0079 -0.14539 0 0 0 -0.7553 0 0.02799 0.1498 0 3.30063 0.1533 0 -2.3716 -0.3905 0.27784 -0.71048
SER_16 -5.75789 0.49506 6.02852 -0.03169 0.00033 0.02108 3.19315 -3.002 -0 -0 -3.19425 -0.01248 0 0 0 0 0 -0.01308 0.02375 0.48775 0 0.30333 1.84889 -0.77834 -0.13261 0.29482 -0.22566
ALA_17 -5.37502 0.4563 4.46872 -0.02239 0 0 2.75393 -2.7501 -0 -0 -2.2879 -0.35779 0 0 0 0 0 0.05949 0 0 0 -0.23751 0 1.8394 -0.19662 0.29407 -1.35543
ARG_18 -6.23266 0.38242 7.69318 -0.71206 0.09981 0.45256 3.25488 -3.58134 -0.02414 -0.21289 -3.6509 0.34122 0 0 0 -0.7553 0 0.11954 0.14602 1.43785 0 -0.08514 0 -1.2888 -0.38544 0.36239 -2.63884
VAL_19 -5.42684 0.46781 4.923 -0.31005 0.23559 0.07109 2.96187 -2.81159 -0 -0 -2.23234 -0.12654 0 0 0 0 0 -0.07014 3e-05 0.06288 0 -0.33567 0 1.9342 -0.23454 0.34358 -0.54766
TYR_20 -11.2409 1.34598 5.36539 -0.58256 0.14009 0.26913 3.26716 -3.5518 -0.01461 -0.15032 -3.71828 -0.30188 0 0 0 0 0 0.20439 0.0009 0 2.88199 0.05629 3e-05 1.2797 -0.15225 0.49168 -4.40987
GLU_21 -4.94914 0.45804 5.45249 -0.32127 0.06554 0.35032 1.97704 -2.42083 -0 -0 -1.73946 -0.51708 0 0 0 0 0 0.04415 0.0068 0 3.11551 -0.03515 0 -2.7348 -0.12918 0.54776 -0.82926
ASN_22 -3.71788 0.16654 3.95546 -0.18306 0.02542 0.27462 1.70359 -2.00275 -0 -0 -1.00003 -0.32203 0 0 0 0 0 -0.08355 0.00566 0 1.46052 0.1647 0 -0.93687 -0.0449 0.40399 -0.13057
VAL_23 -3.98775 0.47364 2.18769 -0.31791 0.21262 0.07168 1.42763 -1.69214 -0 -0 -0.96649 -0.2109 0 0 0 0 0 -0.06877 0.08062 0.18067 0 0.42666 0 1.9342 -0.03377 0.48515 0.20282
GLY_24 -2.69894 0.06854 3.15277 -4e-05 0 0 1.79216 -1.57781 -0 -0 -1.97403 -0.39243 0 0 -1.62889 0 0 -0.15932 0 0 0 -1.10779 0 0.83697 -0.32874 0.38697 -3.63057
LEU_25 -7.93375 1.35065 4.29848 -0.69014 0.16279 0.29714 2.20454 -2.58465 -0.01013 -0.03399 -1.47414 0.1083 0 0 0 0 0 -0.0412 0.14298 1.22341 0 -0.14287 0 0.18072 -0.25583 0.84345 -2.35425
MET_26 -7.3007 1.14833 5.88256 -0.43493 0.12399 0.05305 2.20412 -2.63655 -0.01908 -0.1312 -0.8339 0.14338 0 0 0 0 0 -0.07964 0.2674 2.38803 0 -0.14044 0 0.60916 -0.0619 1.1468 2.32848
GLN_27 -4.28332 0.53409 4.26419 -0.40804 0.06985 0.31083 1.65761 -1.92236 -0.00474 -0.06047 -1.59408 -0.23548 0 0 -1.78039 0 0 0.03109 0.00407 0 3.36817 -0.09739 0 -0.18838 -0.35244 0.55176 -0.13545
GLN_28 -5.83508 0.63753 4.65542 -0.28414 0.04544 0.25737 1.88854 -2.18274 -0.00474 -0.06047 -2.24646 -0.58416 0 0 -0.78958 0 0 -0.01506 0.04701 0 2.97661 -0.18503 0 -0.18838 -0.52122 0.4347 -1.95443
GLN_29 -8.38356 0.73073 7.61289 -0.32648 0.04375 0.14696 3.38933 -3.40445 -0.02939 -0.19169 -2.44828 -0.04943 0 0 -0.9547 0 0 0.00995 0.24621 0 2.84976 -0.12703 0 -0.18838 -0.08404 0.77572 -0.38213
LYS_30 -2.8559 0.34348 3.11774 -0.44261 0.08579 0.26263 0.70254 -1.39172 -0 -0 -0.35638 -0.14996 0 0 0 0 0 -0.10745 0.00112 1.56545 0 -0.03845 0 -1.5107 0.44897 0.64252 0.31705
SER_31 -3.32227 0.29171 2.5057 -0.02485 0 0.02329 0.99014 -1.26795 -0 -0 0.36055 -0.50534 0 0 0 0 0 -0.09064 0.0004 0.66373 0 0.21649 0.60026 -0.77834 0.31986 0.30425 0.28699
PHE_32 -7.76597 1.14248 1.76936 -0.65807 0.08428 0.38238 1.46168 -1.76903 -0.01908 -0.1312 -1.47764 0.01462 0 0 0 0 0 -0.04655 0.01444 0 2.05385 -0.15204 0 1.0402 0.07382 0.33292 -3.64956
ARG:CtermProteinFull_33 -5.54606 0.24128 6.1895 -0.45153 0.12006 0.29981 1.91102 -2.78709 -0 -0 -2.33498 0.46692 0 0 -0.94108 0 0 0 0.53668 2.54154 0 0 0 -1.2888 -0.01662 0.77434 -0.28502
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 700636 DOMAINID 691034 MODEL 4 SHP2 560-593 AB
MODEL     4
REMARK    Rerank model02.pdb to model04.pdb score: 15.127
REMARK    CLUSTER 0002 t000_.out.valid.rescored.best_scoring.binary cluster_size: 14 cluster_threshold: 1.630932
REMARK    SCORE             ref:          -1.484
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     lk_ball_wtd:          -5.993
REMARK    SCORE         fa_elec:         -50.673
REMARK    SCORE     rama_prepro:          -6.206
REMARK    SCORE         p_aa_pp:          -5.601
REMARK    SCORE fa_intra_sol_xover4:           6.983
REMARK    SCORE           score:         -18.434
REMARK    SCORE    fa_intra_rep:           0.282
REMARK    SCORE        hbond_sc:          -3.710
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE     total_score:         -18.434
REMARK    SCORE          fa_sol:         121.046
REMARK    SCORE            time:           0.000
REMARK    SCORE     hbond_sr_bb:         -18.546
REMARK    SCORE     hbond_bb_sc:          -5.705
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE     description: cluster0002_0001
REMARK    SCORE           omega:           4.222
REMARK    SCORE     hbond_lr_bb:          -1.675
REMARK    SCORE          fa_rep:          17.411
REMARK    SCORE          fa_atr:        -167.920
REMARK    SCORE          fa_dun:          41.721
REMARK    SCORE     cart_bonded:          57.413
ATOM      1  N   PRO A   1      -0.219   0.245  -0.920  1.00  7.350          N  
ATOM      2  CA  PRO A   1       1.205   0.027  -0.699  1.00  6.510          C  
ATOM      3  C   PRO A   1       1.896   1.376  -0.589  1.00  5.580          C  
ATOM      4  O   PRO A   1       1.305   2.366  -1.020  1.00  5.430          O  
ATOM      5  CB  PRO A   1       1.615  -0.731  -1.962  1.00  9.770          C  
ATOM      6  CG  PRO A   1       0.761  -0.144  -3.032  1.00  9.770          C  
ATOM      7  CD  PRO A   1      -0.554   0.220  -2.353  1.00  9.770          C  
ATOM      8  HA  PRO A   1       1.333  -0.583   0.206  1.00  7.810          H  
ATOM      9 1HB  PRO A   1       2.684  -0.580  -2.170  1.00 11.720          H  
ATOM     10 2HB  PRO A   1       1.461  -1.811  -1.826  1.00 11.720          H  
ATOM     11 1HG  PRO A   1       1.259   0.732  -3.478  1.00 11.720          H  
ATOM     12 2HG  PRO A   1       0.633  -0.880  -3.837  1.00 11.720          H  
ATOM     13 1HD  PRO A   1      -0.884   1.223  -2.671  1.00 11.720          H  
ATOM     14 2HD  PRO A   1      -1.323  -0.541  -2.549  1.00 11.720          H  
ATOM     15 1H   PRO A   1      -0.352   1.445  -0.853  1.00 11.720          H  
ATOM     16 2H   PRO A   1      -0.934  -0.037  -0.453  1.00 11.720          H  
ATOM     17  N   PRO A   2       3.082   1.450   0.033  1.00  5.330          N  
ATOM     18  CA  PRO A   2       3.886   2.643   0.192  1.00  4.850          C  
ATOM     19  C   PRO A   2       4.490   3.049  -1.130  1.00  3.890          C  
ATOM     20  O   PRO A   2       4.654   2.215  -2.022  1.00  3.820          O  
ATOM     21  CB  PRO A   2       4.965   2.198   1.185  1.00  7.270          C  
ATOM     22  CG  PRO A   2       5.090   0.705   0.963  1.00  7.270          C  
ATOM     23  CD  PRO A   2       3.683   0.239   0.639  1.00  7.270          C  
ATOM     24  HA  PRO A   2       3.266   3.454   0.606  1.00  5.820          H  
ATOM     25 1HB  PRO A   2       5.906   2.736   0.969  1.00  8.730          H  
ATOM     26 2HB  PRO A   2       4.671   2.461   2.210  1.00  8.730          H  
ATOM     27 1HG  PRO A   2       5.799   0.509   0.137  1.00  8.730          H  
ATOM     28 2HG  PRO A   2       5.506   0.220   1.860  1.00  8.730          H  
ATOM     29 1HD  PRO A   2       3.745  -0.589  -0.072  1.00  8.730          H  
ATOM     30 2HD  PRO A   2       3.156  -0.040   1.566  1.00  8.730          H  
ATOM     31  N   CYS A   3       4.864   4.310  -1.233  1.00  3.450          N  
ATOM     32  CA  CYS A   3       5.560   4.798  -2.405  1.00  2.840          C  
ATOM     33  C   CYS A   3       6.982   4.262  -2.484  1.00  2.200          C  
ATOM     34  O   CYS A   3       7.782   4.456  -1.570  1.00  2.500          O  
ATOM     35  CB  CYS A   3       5.576   6.324  -2.363  1.00  4.220          C  
ATOM     36  SG  CYS A   3       3.956   7.081  -2.556  1.00  4.220          S  
ATOM     37  H   CYS A   3       4.677   4.947  -0.471  1.00  4.140          H  
ATOM     38  HA  CYS A   3       5.035   4.469  -3.292  1.00  3.410          H  
ATOM     39 1HB  CYS A   3       5.981   6.647  -1.406  1.00  5.060          H  
ATOM     40 2HB  CYS A   3       6.211   6.710  -3.108  1.00  5.060          H  
ATOM     41  HG  CYS A   3       3.753   6.637  -3.793  1.00  5.060          H  
ATOM     42  N   THR A   4       7.299   3.630  -3.609  1.00  1.900          N  
ATOM     43  CA  THR A   4       8.623   3.087  -3.871  1.00  1.620          C  
ATOM     44  C   THR A   4       9.224   3.953  -4.977  1.00  1.390          C  
ATOM     45  O   THR A   4       8.573   4.129  -6.015  1.00  2.010          O  
ATOM     46  CB  THR A   4       8.560   1.601  -4.299  1.00  2.380          C  
ATOM     47  OG1 THR A   4       7.973   0.829  -3.245  1.00  2.380          O  
ATOM     48  CG2 THR A   4       9.953   1.067  -4.597  1.00  2.380          C  
ATOM     49  H   THR A   4       6.574   3.497  -4.301  1.00  2.280          H  
ATOM     50  HA  THR A   4       9.196   3.127  -2.958  1.00  1.940          H  
ATOM     51  HB  THR A   4       7.952   1.501  -5.185  1.00  2.860          H  
ATOM     52  HG1 THR A   4       7.041   1.074  -3.168  1.00  2.860          H  
ATOM     53 1HG2 THR A   4       9.881   0.023  -4.891  1.00  2.860          H  
ATOM     54 2HG2 THR A   4      10.408   1.639  -5.411  1.00  2.860          H  
ATOM     55 3HG2 THR A   4      10.570   1.148  -3.707  1.00  2.860          H  
ATOM     56  N   PRO A   5      10.445   4.508  -4.818  1.00  1.410          N  
ATOM     57  CA  PRO A   5      11.087   5.388  -5.780  1.00  1.560          C  
ATOM     58  C   PRO A   5      11.061   4.760  -7.146  1.00  1.440          C  
ATOM     59  O   PRO A   5      11.244   3.547  -7.281  1.00  1.870          O  
ATOM     60  CB  PRO A   5      12.509   5.497  -5.227  1.00  2.340          C  
ATOM     61  CG  PRO A   5      12.337   5.334  -3.737  1.00  2.340          C  
ATOM     62  CD  PRO A   5      11.241   4.301  -3.579  1.00  2.340          C  
ATOM     63  HA  PRO A   5      10.588   6.366  -5.791  1.00  1.870          H  
ATOM     64 1HB  PRO A   5      13.146   4.717  -5.678  1.00  2.810          H  
ATOM     65 2HB  PRO A   5      12.948   6.466  -5.509  1.00  2.810          H  
ATOM     66 1HG  PRO A   5      13.289   5.019  -3.277  1.00  2.810          H  
ATOM     67 2HG  PRO A   5      12.070   6.299  -3.280  1.00  2.810          H  
ATOM     68 1HD  PRO A   5      11.660   3.287  -3.533  1.00  2.810          H  
ATOM     69 2HD  PRO A   5      10.677   4.580  -2.675  1.00  2.810          H  
ATOM     70  N   THR A   6      10.806   5.586  -8.147  1.00  1.390          N  
ATOM     71  CA  THR A   6      10.679   5.110  -9.494  1.00  1.460          C  
ATOM     72  C   THR A   6      12.072   4.861 -10.125  1.00  1.120          C  
ATOM     73  O   THR A   6      13.077   5.360  -9.616  1.00  1.100          O  
ATOM     74  CB  THR A   6       9.796   6.135 -10.262  1.00  2.020          C  
ATOM     75  OG1 THR A   6      10.422   7.423 -10.253  1.00  2.020          O  
ATOM     76  CG2 THR A   6       8.420   6.234  -9.561  1.00  2.020          C  
ATOM     77  H   THR A   6      10.683   6.578  -7.984  1.00  1.670          H  
ATOM     78  HA  THR A   6      10.118   4.191  -9.425  1.00  1.750          H  
ATOM     79  HB  THR A   6       9.639   5.830 -11.282  1.00  2.420          H  
ATOM     80  HG1 THR A   6       9.890   8.046 -10.825  1.00  2.420          H  
ATOM     81 1HG2 THR A   6       7.789   6.948 -10.081  1.00  2.420          H  
ATOM     82 2HG2 THR A   6       7.951   5.258  -9.585  1.00  2.420          H  
ATOM     83 3HG2 THR A   6       8.535   6.554  -8.526  1.00  2.420          H  
ATOM     84  N   PRO A   7      12.154   4.061 -11.212  1.00  1.030          N  
ATOM     85  CA  PRO A   7      13.344   3.736 -11.998  1.00  0.900          C  
ATOM     86  C   PRO A   7      14.048   4.928 -12.657  1.00  0.750          C  
ATOM     87  O   PRO A   7      13.409   5.939 -12.925  1.00  0.810          O  
ATOM     88  CB  PRO A   7      12.769   2.822 -13.083  1.00  1.350          C  
ATOM     89  CG  PRO A   7      11.522   2.230 -12.485  1.00  1.350          C  
ATOM     90  CD  PRO A   7      10.956   3.276 -11.624  1.00  1.350          C  
ATOM     91  HA  PRO A   7      14.015   3.180 -11.332  1.00  1.080          H  
ATOM     92 1HB  PRO A   7      12.560   3.425 -13.985  1.00  1.620          H  
ATOM     93 2HB  PRO A   7      13.501   2.058 -13.374  1.00  1.620          H  
ATOM     94 1HG  PRO A   7      10.803   1.950 -13.256  1.00  1.620          H  
ATOM     95 2HG  PRO A   7      11.767   1.310 -11.935  1.00  1.620          H  
ATOM     96 1HD  PRO A   7      10.242   3.868 -12.180  1.00  1.620          H  
ATOM     97 2HD  PRO A   7      10.508   2.727 -10.800  1.00  1.620          H  
ATOM     98  N   PRO A   8      15.377   4.844 -12.900  1.00  0.880          N  
ATOM     99  CA  PRO A   8      16.161   5.843 -13.610  1.00  1.040          C  
ATOM    100  C   PRO A   8      15.867   5.845 -15.117  1.00  0.910          C  
ATOM    101  O   PRO A   8      15.998   6.879 -15.778  1.00  1.180          O  
ATOM    102  CB  PRO A   8      17.601   5.395 -13.327  1.00  1.560          C  
ATOM    103  CG  PRO A   8      17.504   3.898 -13.071  1.00  1.560          C  
ATOM    104  CD  PRO A   8      16.160   3.692 -12.398  1.00  1.560          C  
ATOM    105  HA  PRO A   8      15.965   6.832 -13.172  1.00  1.250          H  
ATOM    106 1HB  PRO A   8      18.238   5.634 -14.193  1.00  1.870          H  
ATOM    107 2HB  PRO A   8      18.007   5.953 -12.469  1.00  1.870          H  
ATOM    108 1HG  PRO A   8      17.600   3.341 -14.020  1.00  1.870          H  
ATOM    109 2HG  PRO A   8      18.344   3.573 -12.435  1.00  1.870          H  
ATOM    110 1HD  PRO A   8      15.738   2.737 -12.738  1.00  1.870          H  
ATOM    111 2HD  PRO A   8      16.269   3.744 -11.300  1.00  1.870          H  
ATOM    112  N   CYS A   9      15.396   4.713 -15.642  1.00  0.690          N  
ATOM    113  CA  CYS A   9      15.052   4.584 -17.050  1.00  0.620          C  
ATOM    114  C   CYS A   9      13.654   5.139 -17.292  1.00  0.570          C  
ATOM    115  O   CYS A   9      12.709   4.734 -16.610  1.00  0.510          O  
ATOM    116  CB  CYS A   9      15.100   3.123 -17.463  1.00  0.900          C  
ATOM    117  SG  CYS A   9      16.726   2.374 -17.298  1.00  0.900          S  
ATOM    118  H   CYS A   9      15.321   3.883 -15.075  1.00  0.830          H  
ATOM    119  HA  CYS A   9      15.771   5.150 -17.644  1.00  0.740          H  
ATOM    120 1HB  CYS A   9      14.420   2.570 -16.852  1.00  1.080          H  
ATOM    121 2HB  CYS A   9      14.776   3.021 -18.502  1.00  1.080          H  
ATOM    122  HG  CYS A   9      16.343   1.135 -17.610  1.00  1.080          H  
ATOM    123  N   ALA A  10      13.508   6.030 -18.271  1.00  0.660          N  
ATOM    124  CA  ALA A  10      12.210   6.648 -18.545  1.00  0.720          C  
ATOM    125  C   ALA A  10      11.112   5.658 -18.910  1.00  0.670          C  
ATOM    126  O   ALA A  10       9.961   5.834 -18.500  1.00  0.670          O  
ATOM    127  CB  ALA A  10      12.351   7.643 -19.675  1.00  0.980          C  
ATOM    128  H   ALA A  10      14.317   6.302 -18.814  1.00  0.790          H  
ATOM    129  HA  ALA A  10      11.896   7.167 -17.646  1.00  0.860          H  
ATOM    130 1HB  ALA A  10      11.393   8.131 -19.848  1.00  1.180          H  
ATOM    131 2HB  ALA A  10      13.097   8.388 -19.415  1.00  1.180          H  
ATOM    132 3HB  ALA A  10      12.660   7.116 -20.583  1.00  1.180          H  
ATOM    133  N   GLU A  11      11.451   4.613 -19.655  1.00  0.700          N  
ATOM    134  CA  GLU A  11      10.448   3.648 -20.083  1.00  0.760          C  
ATOM    135  C   GLU A  11       9.912   2.885 -18.884  1.00  0.630          C  
ATOM    136  O   GLU A  11       8.707   2.629 -18.763  1.00  0.660          O  
ATOM    137  CB  GLU A  11      11.071   2.696 -21.101  1.00  1.040          C  
ATOM    138  CG  GLU A  11      11.480   3.384 -22.410  1.00  1.040          C  
ATOM    139  CD  GLU A  11      12.783   4.162 -22.281  1.00  1.040          C  
ATOM    140  OE1 GLU A  11      13.441   4.014 -21.265  1.00  1.040          O  
ATOM    141  OE2 GLU A  11      13.106   4.904 -23.173  1.00  1.040          O  
ATOM    142  H   GLU A  11      12.419   4.505 -19.968  1.00  0.840          H  
ATOM    143  HA  GLU A  11       9.621   4.186 -20.551  1.00  0.910          H  
ATOM    144 1HB  GLU A  11      11.952   2.223 -20.669  1.00  1.250          H  
ATOM    145 2HB  GLU A  11      10.359   1.907 -21.342  1.00  1.250          H  
ATOM    146 1HG  GLU A  11      11.593   2.630 -23.189  1.00  1.250          H  
ATOM    147 2HG  GLU A  11      10.685   4.065 -22.711  1.00  1.250          H  
ATOM    148  N   MET A  12      10.826   2.527 -17.989  1.00  0.560          N  
ATOM    149  CA  MET A  12      10.461   1.818 -16.784  1.00  0.550          C  
ATOM    150  C   MET A  12       9.611   2.727 -15.897  1.00  0.450          C  
ATOM    151  O   MET A  12       8.664   2.251 -15.258  1.00  0.460          O  
ATOM    152  CB  MET A  12      11.701   1.329 -16.065  1.00  0.770          C  
ATOM    153  CG  MET A  12      12.470   0.231 -16.779  1.00  0.770          C  
ATOM    154  SD  MET A  12      14.025  -0.203 -15.935  1.00  0.770          S  
ATOM    155  CE  MET A  12      13.466  -1.019 -14.439  1.00  0.770          C  
ATOM    156  H   MET A  12      11.792   2.750 -18.181  1.00  0.670          H  
ATOM    157  HA  MET A  12       9.852   0.958 -17.056  1.00  0.660          H  
ATOM    158 1HB  MET A  12      12.363   2.160 -15.896  1.00  0.930          H  
ATOM    159 2HB  MET A  12      11.409   0.928 -15.120  1.00  0.930          H  
ATOM    160 1HG  MET A  12      11.846  -0.660 -16.840  1.00  0.930          H  
ATOM    161 2HG  MET A  12      12.703   0.551 -17.795  1.00  0.930          H  
ATOM    162 1HE  MET A  12      14.333  -1.334 -13.855  1.00  0.930          H  
ATOM    163 2HE  MET A  12      12.864  -0.344 -13.843  1.00  0.930          H  
ATOM    164 3HE  MET A  12      12.873  -1.896 -14.702  1.00  0.930          H  
ATOM    165  N   ARG A  13       9.937   4.033 -15.853  1.00  0.450          N  
ATOM    166  CA  ARG A  13       9.140   4.964 -15.064  1.00  0.520          C  
ATOM    167  C   ARG A  13       7.714   5.026 -15.561  1.00  0.490          C  
ATOM    168  O   ARG A  13       6.790   5.060 -14.741  1.00  0.520          O  
ATOM    169  CB  ARG A  13       9.692   6.377 -15.044  1.00  0.700          C  
ATOM    170  CG  ARG A  13      10.910   6.549 -14.229  1.00  0.700          C  
ATOM    171  CD  ARG A  13      11.236   7.984 -13.935  1.00  0.700          C  
ATOM    172  NE  ARG A  13      11.630   8.757 -15.107  1.00  0.700          N  
ATOM    173  CZ  ARG A  13      12.887   8.819 -15.573  1.00  0.700          C  
ATOM    174  NH1 ARG A  13      13.814   8.120 -14.987  1.00  0.700          N  
ATOM    175  NH2 ARG A  13      13.183   9.576 -16.625  1.00  0.700          N  
ATOM    176  H   ARG A  13      10.775   4.356 -16.348  1.00  0.540          H  
ATOM    177  HA  ARG A  13       9.122   4.609 -14.040  1.00  0.620          H  
ATOM    178 1HB  ARG A  13       9.926   6.688 -16.054  1.00  0.840          H  
ATOM    179 2HB  ARG A  13       8.936   7.052 -14.662  1.00  0.840          H  
ATOM    180 1HG  ARG A  13      10.800   6.031 -13.289  1.00  0.840          H  
ATOM    181 2HG  ARG A  13      11.739   6.118 -14.773  1.00  0.840          H  
ATOM    182 1HD  ARG A  13      10.354   8.451 -13.517  1.00  0.840          H  
ATOM    183 2HD  ARG A  13      12.024   8.037 -13.191  1.00  0.840          H  
ATOM    184  HE  ARG A  13      10.919   9.307 -15.568  1.00  0.840          H  
ATOM    185 1HH1 ARG A  13      13.591   7.502 -14.185  1.00  0.840          H  
ATOM    186 2HH1 ARG A  13      14.771   8.114 -15.347  1.00  0.840          H  
ATOM    187 1HH2 ARG A  13      12.462  10.117 -17.076  1.00  0.840          H  
ATOM    188 2HH2 ARG A  13      14.135   9.610 -16.964  1.00  0.840          H  
ATOM    189  N   GLU A  14       7.511   5.033 -16.887  1.00  0.540          N  
ATOM    190  CA  GLU A  14       6.143   5.073 -17.369  1.00  0.650          C  
ATOM    191  C   GLU A  14       5.376   3.838 -16.917  1.00  0.570          C  
ATOM    192  O   GLU A  14       4.241   3.960 -16.458  1.00  0.610          O  
ATOM    193  CB  GLU A  14       6.056   5.152 -18.892  1.00  0.870          C  
ATOM    194  CG  GLU A  14       6.486   6.442 -19.546  1.00  0.870          C  
ATOM    195  CD  GLU A  14       6.297   6.391 -21.067  1.00  0.870          C  
ATOM    196  OE1 GLU A  14       6.074   5.310 -21.595  1.00  0.870          O  
ATOM    197  OE2 GLU A  14       6.360   7.423 -21.688  1.00  0.870          O  
ATOM    198  H   GLU A  14       8.314   5.080 -17.530  1.00  0.650          H  
ATOM    199  HA  GLU A  14       5.658   5.954 -16.945  1.00  0.780          H  
ATOM    200 1HB  GLU A  14       6.648   4.343 -19.325  1.00  1.040          H  
ATOM    201 2HB  GLU A  14       5.034   4.995 -19.178  1.00  1.040          H  
ATOM    202 1HG  GLU A  14       5.899   7.264 -19.137  1.00  1.040          H  
ATOM    203 2HG  GLU A  14       7.535   6.625 -19.315  1.00  1.040          H  
ATOM    204  N   ASP A  15       6.002   2.650 -16.979  1.00  0.550          N  
ATOM    205  CA  ASP A  15       5.286   1.453 -16.543  1.00  0.630          C  
ATOM    206  C   ASP A  15       4.989   1.471 -15.053  1.00  0.520          C  
ATOM    207  O   ASP A  15       3.900   1.056 -14.636  1.00  0.570          O  
ATOM    208  CB  ASP A  15       6.052   0.178 -16.882  1.00  0.850          C  
ATOM    209  CG  ASP A  15       6.022  -0.200 -18.360  1.00  0.850          C  
ATOM    210  OD1 ASP A  15       5.208   0.322 -19.109  1.00  0.850          O  
ATOM    211  OD2 ASP A  15       6.814  -1.029 -18.732  1.00  0.850          O  
ATOM    212  H   ASP A  15       6.940   2.590 -17.398  1.00  0.660          H  
ATOM    213  HA  ASP A  15       4.336   1.418 -17.071  1.00  0.760          H  
ATOM    214 1HB  ASP A  15       7.096   0.310 -16.584  1.00  1.020          H  
ATOM    215 2HB  ASP A  15       5.651  -0.651 -16.300  1.00  1.020          H  
ATOM    216  N   SER A  16       5.938   1.964 -14.251  1.00  0.460          N  
ATOM    217  CA  SER A  16       5.745   2.041 -12.813  1.00  0.550          C  
ATOM    218  C   SER A  16       4.565   2.941 -12.505  1.00  0.500          C  
ATOM    219  O   SER A  16       3.708   2.589 -11.687  1.00  0.570          O  
ATOM    220  CB  SER A  16       6.999   2.548 -12.126  1.00  0.730          C  
ATOM    221  OG  SER A  16       6.808   2.627 -10.740  1.00  0.730          O  
ATOM    222  H   SER A  16       6.838   2.250 -14.652  1.00  0.550          H  
ATOM    223  HA  SER A  16       5.522   1.043 -12.437  1.00  0.660          H  
ATOM    224 1HB  SER A  16       7.829   1.879 -12.350  1.00  0.880          H  
ATOM    225 2HB  SER A  16       7.258   3.531 -12.518  1.00  0.880          H  
ATOM    226  HG  SER A  16       7.671   2.774 -10.359  1.00  0.880          H  
ATOM    227  N   ALA A  17       4.519   4.111 -13.165  1.00  0.500          N  
ATOM    228  CA  ALA A  17       3.431   5.045 -12.967  1.00  0.640          C  
ATOM    229  C   ALA A  17       2.094   4.429 -13.373  1.00  0.620          C  
ATOM    230  O   ALA A  17       1.119   4.587 -12.647  1.00  0.670          O  
ATOM    231  CB  ALA A  17       3.674   6.311 -13.756  1.00  0.840          C  
ATOM    232  H   ALA A  17       5.278   4.356 -13.808  1.00  0.600          H  
ATOM    233  HA  ALA A  17       3.391   5.296 -11.910  1.00  0.770          H  
ATOM    234 1HB  ALA A  17       2.864   7.008 -13.571  1.00  1.010          H  
ATOM    235 2HB  ALA A  17       4.621   6.751 -13.443  1.00  1.010          H  
ATOM    236 3HB  ALA A  17       3.722   6.070 -14.819  1.00  1.010          H  
ATOM    237  N   ARG A  18       2.047   3.664 -14.481  1.00  0.640          N  
ATOM    238  CA  ARG A  18       0.784   3.045 -14.893  1.00  0.750          C  
ATOM    239  C   ARG A  18       0.269   2.116 -13.800  1.00  0.680          C  
ATOM    240  O   ARG A  18      -0.928   2.117 -13.486  1.00  0.740          O  
ATOM    241  CB  ARG A  18       0.946   2.271 -16.200  1.00  1.010          C  
ATOM    242  CG  ARG A  18       1.169   3.150 -17.424  1.00  1.010          C  
ATOM    243  CD  ARG A  18       1.248   2.396 -18.712  1.00  1.010          C  
ATOM    244  NE  ARG A  18       1.666   3.301 -19.790  1.00  1.010          N  
ATOM    245  CZ  ARG A  18       2.918   3.391 -20.333  1.00  1.010          C  
ATOM    246  NH1 ARG A  18       3.913   2.584 -19.979  1.00  1.010          N  
ATOM    247  NH2 ARG A  18       3.162   4.327 -21.248  1.00  1.010          N  
ATOM    248  H   ARG A  18       2.879   3.587 -15.077  1.00  0.770          H  
ATOM    249  HA  ARG A  18       0.048   3.835 -15.051  1.00  0.900          H  
ATOM    250 1HB  ARG A  18       1.799   1.601 -16.117  1.00  1.210          H  
ATOM    251 2HB  ARG A  18       0.062   1.662 -16.374  1.00  1.210          H  
ATOM    252 1HG  ARG A  18       0.334   3.846 -17.502  1.00  1.210          H  
ATOM    253 2HG  ARG A  18       2.070   3.714 -17.316  1.00  1.210          H  
ATOM    254 1HD  ARG A  18       1.966   1.584 -18.627  1.00  1.210          H  
ATOM    255 2HD  ARG A  18       0.268   1.994 -18.963  1.00  1.210          H  
ATOM    256  HE  ARG A  18       0.974   3.961 -20.119  1.00  1.210          H  
ATOM    257 1HH1 ARG A  18       3.825   1.831 -19.297  1.00  1.210          H  
ATOM    258 2HH1 ARG A  18       4.823   2.668 -20.420  1.00  1.210          H  
ATOM    259 1HH2 ARG A  18       2.434   4.962 -21.535  1.00  1.210          H  
ATOM    260 2HH2 ARG A  18       4.118   4.440 -21.626  1.00  1.210          H  
ATOM    261  N   VAL A  19       1.177   1.355 -13.181  1.00  0.640          N  
ATOM    262  CA  VAL A  19       0.772   0.487 -12.090  1.00  0.710          C  
ATOM    263  C   VAL A  19       0.263   1.332 -10.936  1.00  0.660          C  
ATOM    264  O   VAL A  19      -0.821   1.082 -10.412  1.00  0.750          O  
ATOM    265  CB  VAL A  19       1.936  -0.405 -11.616  1.00  0.970          C  
ATOM    266  CG1 VAL A  19       1.541  -1.159 -10.327  1.00  0.970          C  
ATOM    267  CG2 VAL A  19       2.286  -1.386 -12.729  1.00  0.970          C  
ATOM    268  H   VAL A  19       2.145   1.364 -13.528  1.00  0.770          H  
ATOM    269  HA  VAL A  19      -0.033  -0.156 -12.438  1.00  0.850          H  
ATOM    270  HB  VAL A  19       2.803   0.219 -11.391  1.00  1.160          H  
ATOM    271 1HG1 VAL A  19       2.374  -1.782 -10.007  1.00  1.160          H  
ATOM    272 2HG1 VAL A  19       1.303  -0.455  -9.530  1.00  1.160          H  
ATOM    273 3HG1 VAL A  19       0.671  -1.787 -10.523  1.00  1.160          H  
ATOM    274 1HG2 VAL A  19       3.115  -2.016 -12.412  1.00  1.160          H  
ATOM    275 2HG2 VAL A  19       1.420  -2.006 -12.951  1.00  1.160          H  
ATOM    276 3HG2 VAL A  19       2.573  -0.837 -13.622  1.00  1.160          H  
ATOM    277  N   TYR A  20       0.994   2.379 -10.582  1.00  0.610          N  
ATOM    278  CA  TYR A  20       0.591   3.241  -9.493  1.00  0.700          C  
ATOM    279  C   TYR A  20      -0.796   3.839  -9.751  1.00  0.700          C  
ATOM    280  O   TYR A  20      -1.587   4.025  -8.810  1.00  0.780          O  
ATOM    281  CB  TYR A  20       1.653   4.315  -9.264  1.00  0.940          C  
ATOM    282  CG  TYR A  20       2.973   3.849  -8.637  1.00  0.940          C  
ATOM    283  CD1 TYR A  20       4.106   4.652  -8.771  1.00  0.940          C  
ATOM    284  CD2 TYR A  20       3.070   2.654  -7.915  1.00  0.940          C  
ATOM    285  CE1 TYR A  20       5.294   4.270  -8.171  1.00  0.940          C  
ATOM    286  CE2 TYR A  20       4.248   2.297  -7.339  1.00  0.940          C  
ATOM    287  CZ  TYR A  20       5.350   3.087  -7.445  1.00  0.940          C  
ATOM    288  OH  TYR A  20       6.500   2.666  -6.810  1.00  0.940          O  
ATOM    289  H   TYR A  20       1.889   2.552 -11.056  1.00  0.730          H  
ATOM    290  HA  TYR A  20       0.485   2.645  -8.599  1.00  0.840          H  
ATOM    291 1HB  TYR A  20       1.882   4.787 -10.207  1.00  1.130          H  
ATOM    292 2HB  TYR A  20       1.257   5.072  -8.633  1.00  1.130          H  
ATOM    293  HD1 TYR A  20       4.056   5.592  -9.331  1.00  1.130          H  
ATOM    294  HD2 TYR A  20       2.235   1.992  -7.778  1.00  1.130          H  
ATOM    295  HE1 TYR A  20       6.169   4.897  -8.259  1.00  1.130          H  
ATOM    296  HE2 TYR A  20       4.307   1.369  -6.768  1.00  1.130          H  
ATOM    297  HH  TYR A  20       7.185   3.373  -6.765  1.00  1.130          H  
ATOM    298  N   GLU A  21      -1.105   4.207 -10.998  1.00  0.680          N  
ATOM    299  CA  GLU A  21      -2.442   4.715 -11.267  1.00  0.820          C  
ATOM    300  C   GLU A  21      -3.488   3.616 -11.037  1.00  0.890          C  
ATOM    301  O   GLU A  21      -4.475   3.835 -10.335  1.00  1.020          O  
ATOM    302  CB  GLU A  21      -2.572   5.229 -12.711  1.00  1.090          C  
ATOM    303  CG  GLU A  21      -1.805   6.511 -13.038  1.00  1.090          C  
ATOM    304  CD  GLU A  21      -1.950   6.921 -14.484  1.00  1.090          C  
ATOM    305  OE1 GLU A  21      -2.538   6.174 -15.232  1.00  1.090          O  
ATOM    306  OE2 GLU A  21      -1.470   7.984 -14.844  1.00  1.090          O  
ATOM    307  H   GLU A  21      -0.397   4.139 -11.735  1.00  0.820          H  
ATOM    308  HA  GLU A  21      -2.655   5.528 -10.583  1.00  0.980          H  
ATOM    309 1HB  GLU A  21      -2.214   4.454 -13.389  1.00  1.310          H  
ATOM    310 2HB  GLU A  21      -3.623   5.398 -12.939  1.00  1.310          H  
ATOM    311 1HG  GLU A  21      -2.170   7.316 -12.410  1.00  1.310          H  
ATOM    312 2HG  GLU A  21      -0.755   6.356 -12.818  1.00  1.310          H  
ATOM    313  N   ASN A  22      -3.213   2.392 -11.515  1.00  0.850          N  
ATOM    314  CA  ASN A  22      -4.152   1.270 -11.376  1.00  0.980          C  
ATOM    315  C   ASN A  22      -4.379   0.871  -9.917  1.00  0.980          C  
ATOM    316  O   ASN A  22      -5.478   0.475  -9.523  1.00  1.110          O  
ATOM    317  CB  ASN A  22      -3.662   0.078 -12.179  1.00  1.320          C  
ATOM    318  CG  ASN A  22      -3.818   0.268 -13.671  1.00  1.320          C  
ATOM    319  OD1 ASN A  22      -4.624   1.080 -14.144  1.00  1.320          O  
ATOM    320  ND2 ASN A  22      -3.053  -0.476 -14.429  1.00  1.320          N  
ATOM    321  H   ASN A  22      -2.364   2.271 -12.080  1.00  1.020          H  
ATOM    322  HA  ASN A  22      -5.116   1.583 -11.776  1.00  1.180          H  
ATOM    323 1HB  ASN A  22      -2.609  -0.092 -11.959  1.00  1.580          H  
ATOM    324 2HB  ASN A  22      -4.207  -0.813 -11.874  1.00  1.580          H  
ATOM    325 1HD2 ASN A  22      -3.107  -0.395 -15.424  1.00  1.580          H  
ATOM    326 2HD2 ASN A  22      -2.412  -1.121 -14.017  1.00  1.580          H  
ATOM    327  N   VAL A  23      -3.341   1.041  -9.111  1.00  0.920          N  
ATOM    328  CA  VAL A  23      -3.327   0.745  -7.685  1.00  0.990          C  
ATOM    329  C   VAL A  23      -3.946   1.858  -6.828  1.00  1.020          C  
ATOM    330  O   VAL A  23      -4.132   1.684  -5.621  1.00  1.280          O  
ATOM    331  CB  VAL A  23      -1.853   0.454  -7.268  1.00  1.360          C  
ATOM    332  CG1 VAL A  23      -1.650   0.350  -5.758  1.00  1.360          C  
ATOM    333  CG2 VAL A  23      -1.434  -0.877  -7.892  1.00  1.360          C  
ATOM    334  H   VAL A  23      -2.461   1.321  -9.555  1.00  1.100          H  
ATOM    335  HA  VAL A  23      -3.907  -0.163  -7.531  1.00  1.190          H  
ATOM    336  HB  VAL A  23      -1.219   1.250  -7.643  1.00  1.630          H  
ATOM    337 1HG1 VAL A  23      -0.610   0.133  -5.582  1.00  1.630          H  
ATOM    338 2HG1 VAL A  23      -1.890   1.282  -5.261  1.00  1.630          H  
ATOM    339 3HG1 VAL A  23      -2.269  -0.451  -5.354  1.00  1.630          H  
ATOM    340 1HG2 VAL A  23      -0.396  -1.087  -7.640  1.00  1.630          H  
ATOM    341 2HG2 VAL A  23      -2.070  -1.673  -7.508  1.00  1.630          H  
ATOM    342 3HG2 VAL A  23      -1.539  -0.827  -8.972  1.00  1.630          H  
ATOM    343  N   GLY A  24      -4.226   3.020  -7.423  1.00  0.840          N  
ATOM    344  CA  GLY A  24      -4.738   4.165  -6.683  1.00  0.900          C  
ATOM    345  C   GLY A  24      -3.630   4.989  -6.015  1.00  0.820          C  
ATOM    346  O   GLY A  24      -3.893   5.939  -5.279  1.00  0.880          O  
ATOM    347  H   GLY A  24      -4.136   3.110  -8.440  1.00  1.010          H  
ATOM    348 1HA  GLY A  24      -5.300   4.795  -7.368  1.00  1.080          H  
ATOM    349 2HA  GLY A  24      -5.444   3.821  -5.928  1.00  1.080          H  
ATOM    350  N   LEU A  25      -2.369   4.639  -6.236  1.00  0.780          N  
ATOM    351  CA  LEU A  25      -1.279   5.362  -5.592  1.00  0.860          C  
ATOM    352  C   LEU A  25      -1.264   6.774  -6.153  1.00  0.800          C  
ATOM    353  O   LEU A  25      -1.091   7.760  -5.421  1.00  0.920          O  
ATOM    354  CB  LEU A  25       0.054   4.614  -5.713  1.00  1.170          C  
ATOM    355  CG  LEU A  25       1.260   5.205  -4.904  1.00  1.170          C  
ATOM    356  CD1 LEU A  25       2.151   4.052  -4.431  1.00  1.170          C  
ATOM    357  CD2 LEU A  25       2.085   6.171  -5.788  1.00  1.170          C  
ATOM    358  H   LEU A  25      -2.163   3.913  -6.921  1.00  0.940          H  
ATOM    359  HA  LEU A  25      -1.498   5.431  -4.526  1.00  1.030          H  
ATOM    360 1HB  LEU A  25      -0.102   3.589  -5.378  1.00  1.410          H  
ATOM    361 2HB  LEU A  25       0.322   4.586  -6.736  1.00  1.410          H  
ATOM    362  HG  LEU A  25       0.888   5.738  -4.024  1.00  1.410          H  
ATOM    363 1HD1 LEU A  25       2.959   4.448  -3.868  1.00  1.410          H  
ATOM    364 2HD1 LEU A  25       1.576   3.374  -3.793  1.00  1.410          H  
ATOM    365 3HD1 LEU A  25       2.535   3.508  -5.275  1.00  1.410          H  
ATOM    366 1HD2 LEU A  25       2.918   6.557  -5.231  1.00  1.410          H  
ATOM    367 2HD2 LEU A  25       2.458   5.651  -6.637  1.00  1.410          H  
ATOM    368 3HD2 LEU A  25       1.478   6.997  -6.124  1.00  1.410          H  
ATOM    369  N   MET A  26      -1.495   6.886  -7.462  1.00  0.750          N  
ATOM    370  CA  MET A  26      -1.454   8.200  -8.093  1.00  0.900          C  
ATOM    371  C   MET A  26      -2.744   9.000  -7.851  1.00  1.030          C  
ATOM    372  O   MET A  26      -2.966  10.029  -8.497  1.00  1.320          O  
ATOM    373  CB  MET A  26      -1.194   8.129  -9.589  1.00  1.200          C  
ATOM    374  CG  MET A  26       0.090   7.444  -9.966  1.00  1.200          C  
ATOM    375  SD  MET A  26       1.568   8.016  -9.117  1.00  1.200          S  
ATOM    376  CE  MET A  26       1.764   9.595  -9.785  1.00  1.200          C  
ATOM    377  H   MET A  26      -1.651   6.032  -8.002  1.00  0.900          H  
ATOM    378  HA  MET A  26      -0.647   8.766  -7.645  1.00  1.080          H  
ATOM    379 1HB  MET A  26      -2.004   7.607 -10.060  1.00  1.440          H  
ATOM    380 2HB  MET A  26      -1.179   9.133 -10.006  1.00  1.440          H  
ATOM    381 1HG  MET A  26      -0.040   6.435  -9.763  1.00  1.440          H  
ATOM    382 2HG  MET A  26       0.257   7.549 -11.036  1.00  1.440          H  
ATOM    383 1HE  MET A  26       2.638  10.063  -9.363  1.00  1.440          H  
ATOM    384 2HE  MET A  26       1.879   9.505 -10.839  1.00  1.440          H  
ATOM    385 3HE  MET A  26       0.897  10.182  -9.565  1.00  1.440          H  
ATOM    386  N   GLN A  27      -3.628   8.511  -6.956  1.00  0.990          N  
ATOM    387  CA  GLN A  27      -4.782   9.290  -6.562  1.00  1.230          C  
ATOM    388  C   GLN A  27      -4.386  10.097  -5.321  1.00  1.220          C  
ATOM    389  O   GLN A  27      -5.145  10.945  -4.849  1.00  1.400          O  
ATOM    390  CB  GLN A  27      -6.002   8.405  -6.304  1.00  1.630          C  
ATOM    391  CG  GLN A  27      -6.521   7.699  -7.556  1.00  1.630          C  
ATOM    392  CD  GLN A  27      -7.700   6.786  -7.264  1.00  1.630          C  
ATOM    393  OE1 GLN A  27      -7.909   6.379  -6.119  1.00  1.630          O  
ATOM    394  NE2 GLN A  27      -8.470   6.463  -8.292  1.00  1.630          N  
ATOM    395  H   GLN A  27      -3.493   7.613  -6.484  1.00  1.190          H  
ATOM    396  HA  GLN A  27      -5.032   9.990  -7.354  1.00  1.480          H  
ATOM    397 1HB  GLN A  27      -5.750   7.648  -5.563  1.00  1.950          H  
ATOM    398 2HB  GLN A  27      -6.811   9.007  -5.894  1.00  1.950          H  
ATOM    399 1HG  GLN A  27      -6.842   8.454  -8.270  1.00  1.950          H  
ATOM    400 2HG  GLN A  27      -5.714   7.107  -7.983  1.00  1.950          H  
ATOM    401 1HE2 GLN A  27      -9.263   5.865  -8.158  1.00  1.950          H  
ATOM    402 2HE2 GLN A  27      -8.260   6.812  -9.208  1.00  1.950          H  
ATOM    403  N   GLN A  28      -3.178   9.807  -4.802  1.00  1.160          N  
ATOM    404  CA  GLN A  28      -2.590  10.495  -3.659  1.00  1.340          C  
ATOM    405  C   GLN A  28      -1.395  11.307  -4.170  1.00  1.380          C  
ATOM    406  O   GLN A  28      -1.158  12.437  -3.734  1.00  1.710          O  
ATOM    407  CB  GLN A  28      -2.144   9.486  -2.599  1.00  1.800          C  
ATOM    408  CG  GLN A  28      -3.274   8.620  -2.077  1.00  1.800          C  
ATOM    409  CD  GLN A  28      -4.347   9.431  -1.408  1.00  1.800          C  
ATOM    410  OE1 GLN A  28      -4.070  10.201  -0.485  1.00  1.800          O  
ATOM    411  NE2 GLN A  28      -5.578   9.280  -1.870  1.00  1.800          N  
ATOM    412  H   GLN A  28      -2.623   9.074  -5.231  1.00  1.390          H  
ATOM    413  HA  GLN A  28      -3.318  11.183  -3.234  1.00  1.610          H  
ATOM    414 1HB  GLN A  28      -1.381   8.830  -3.020  1.00  2.160          H  
ATOM    415 2HB  GLN A  28      -1.700  10.013  -1.757  1.00  2.160          H  
ATOM    416 1HG  GLN A  28      -3.721   8.079  -2.916  1.00  2.160          H  
ATOM    417 2HG  GLN A  28      -2.875   7.914  -1.351  1.00  2.160          H  
ATOM    418 1HE2 GLN A  28      -6.332   9.802  -1.471  1.00  2.160          H  
ATOM    419 2HE2 GLN A  28      -5.758   8.648  -2.630  1.00  2.160          H  
ATOM    420  N   GLN A  29      -0.655  10.711  -5.114  1.00  1.250          N  
ATOM    421  CA  GLN A  29       0.498  11.345  -5.743  1.00  1.490          C  
ATOM    422  C   GLN A  29      -0.000  11.913  -7.060  1.00  1.340          C  
ATOM    423  O   GLN A  29      -1.221  11.998  -7.096  1.00  1.810          O  
ATOM    424  CB  GLN A  29       1.619  10.346  -5.989  1.00  1.990          C  
ATOM    425  CG  GLN A  29       2.115   9.628  -4.757  1.00  1.990          C  
ATOM    426  CD  GLN A  29       2.700  10.542  -3.749  1.00  1.990          C  
ATOM    427  OE1 GLN A  29       3.622  11.309  -4.042  1.00  1.990          O  
ATOM    428  NE2 GLN A  29       2.178  10.484  -2.535  1.00  1.990          N  
ATOM    429  H   GLN A  29      -0.892   9.759  -5.388  1.00  1.500          H  
ATOM    430  HA  GLN A  29       0.856  12.163  -5.120  1.00  1.790          H  
ATOM    431 1HB  GLN A  29       1.277   9.596  -6.673  1.00  2.390          H  
ATOM    432 2HB  GLN A  29       2.445  10.859  -6.456  1.00  2.390          H  
ATOM    433 1HG  GLN A  29       1.283   9.090  -4.299  1.00  2.390          H  
ATOM    434 2HG  GLN A  29       2.888   8.930  -5.051  1.00  2.390          H  
ATOM    435 1HE2 GLN A  29       2.528  11.078  -1.808  1.00  2.390          H  
ATOM    436 2HE2 GLN A  29       1.432   9.845  -2.343  1.00  2.390          H  
ATOM    437  N   LYS A  30       0.710  12.954  -7.518  1.00  1.470          N  
ATOM    438  CA  LYS A  30       0.716  13.120  -8.981  1.00  1.880          C  
ATOM    439  C   LYS A  30       2.113  13.119  -9.589  1.00  1.860          C  
ATOM    440  O   LYS A  30       2.311  12.688 -10.727  1.00  2.410          O  
ATOM    441  CB  LYS A  30      -0.005  14.418  -9.393  1.00  2.470          C  
ATOM    442  CG  LYS A  30      -1.483  14.515  -8.951  1.00  2.470          C  
ATOM    443  CD  LYS A  30      -2.358  13.418  -9.586  1.00  2.470          C  
ATOM    444  CE  LYS A  30      -3.776  13.476  -9.086  1.00  2.470          C  
ATOM    445  NZ  LYS A  30      -4.520  12.269  -9.498  1.00  2.470          N  
ATOM    446  H   LYS A  30       0.487  13.816  -7.039  1.00  1.760          H  
ATOM    447  HA  LYS A  30       0.186  12.283  -9.418  1.00  2.260          H  
ATOM    448 1HB  LYS A  30       0.527  15.276  -8.978  1.00  2.960          H  
ATOM    449 2HB  LYS A  30       0.024  14.515 -10.478  1.00  2.960          H  
ATOM    450 1HG  LYS A  30      -1.553  14.437  -7.868  1.00  2.960          H  
ATOM    451 2HG  LYS A  30      -1.876  15.486  -9.247  1.00  2.960          H  
ATOM    452 1HD  LYS A  30      -2.366  13.549 -10.667  1.00  2.960          H  
ATOM    453 2HD  LYS A  30      -1.995  12.424  -9.371  1.00  2.960          H  
ATOM    454 1HE  LYS A  30      -3.769  13.528  -7.996  1.00  2.960          H  
ATOM    455 2HE  LYS A  30      -4.274  14.358  -9.484  1.00  2.960          H  
ATOM    456 1HZ  LYS A  30      -5.460  12.306  -9.146  1.00  2.960          H  
ATOM    457 2HZ  LYS A  30      -4.536  12.197 -10.499  1.00  2.960          H  
ATOM    458 3HZ  LYS A  30      -4.020  11.432  -9.092  1.00  2.960          H  
ATOM    459  N   SER A  31       3.079  13.637  -8.837  1.00  1.800          N  
ATOM    460  CA  SER A  31       4.455  13.813  -9.297  1.00  2.170          C  
ATOM    461  C   SER A  31       5.320  12.564  -9.162  1.00  2.000          C  
ATOM    462  O   SER A  31       6.441  12.496  -9.672  1.00  2.430          O  
ATOM    463  CB  SER A  31       5.098  14.952  -8.536  1.00  2.890          C  
ATOM    464  OG  SER A  31       5.194  14.646  -7.171  1.00  2.890          O  
ATOM    465  H   SER A  31       2.855  13.948  -7.901  1.00  2.160          H  
ATOM    466  HA  SER A  31       4.423  14.081 -10.354  1.00  2.600          H  
ATOM    467 1HB  SER A  31       6.093  15.139  -8.941  1.00  3.470          H  
ATOM    468 2HB  SER A  31       4.512  15.859  -8.671  1.00  3.470          H  
ATOM    469  HG  SER A  31       5.788  15.304  -6.793  1.00  3.470          H  
ATOM    470  N   PHE A  32       4.799  11.543  -8.504  1.00  2.100          N  
ATOM    471  CA  PHE A  32       5.577  10.332  -8.252  1.00  2.360          C  
ATOM    472  C   PHE A  32       5.565   9.384  -9.448  1.00  2.330          C  
ATOM    473  O   PHE A  32       4.955   8.314  -9.421  1.00  2.740          O  
ATOM    474  CB  PHE A  32       5.016   9.624  -7.030  1.00  3.200          C  
ATOM    475  CG  PHE A  32       5.935   8.693  -6.423  1.00  3.200          C  
ATOM    476  CD1 PHE A  32       7.075   9.183  -5.821  1.00  3.200          C  
ATOM    477  CD2 PHE A  32       5.702   7.346  -6.426  1.00  3.200          C  
ATOM    478  CE1 PHE A  32       7.960   8.350  -5.239  1.00  3.200          C  
ATOM    479  CE2 PHE A  32       6.592   6.513  -5.838  1.00  3.200          C  
ATOM    480  CZ  PHE A  32       7.724   7.033  -5.246  1.00  3.200          C  
ATOM    481  H   PHE A  32       3.877  11.663  -8.117  1.00  2.520          H  
ATOM    482  HA  PHE A  32       6.611  10.623  -8.063  1.00  2.830          H  
ATOM    483 1HB  PHE A  32       4.753  10.366  -6.281  1.00  3.840          H  
ATOM    484 2HB  PHE A  32       4.112   9.086  -7.301  1.00  3.840          H  
ATOM    485  HD1 PHE A  32       7.257  10.261  -5.814  1.00  3.840          H  
ATOM    486  HD2 PHE A  32       4.803   6.957  -6.907  1.00  3.840          H  
ATOM    487  HE1 PHE A  32       8.859   8.744  -4.760  1.00  3.840          H  
ATOM    488  HE2 PHE A  32       6.419   5.442  -5.826  1.00  3.840          H  
ATOM    489  HZ  PHE A  32       8.424   6.391  -4.769  1.00  3.840          H  
ATOM    490  N   ARG A  33       6.245   9.820 -10.501  1.00  2.570          N  
ATOM    491  CA  ARG A  33       6.297   9.131 -11.782  1.00  3.030          C  
ATOM    492  C   ARG A  33       7.718   8.873 -12.251  1.00  3.440          C  
ATOM    493  O   ARG A  33       7.969   8.956 -13.451  1.00  3.860          O  
ATOM    494  OXT ARG A  33       8.632   9.050 -11.444  1.00  4.540          O  
ATOM    495  CB  ARG A  33       5.563   9.959 -12.819  1.00  3.810          C  
ATOM    496  CG  ARG A  33       4.111  10.083 -12.535  1.00  3.810          C  
ATOM    497  CD  ARG A  33       3.388  10.952 -13.467  1.00  3.810          C  
ATOM    498  NE  ARG A  33       1.988  11.014 -13.078  1.00  3.810          N  
ATOM    499  CZ  ARG A  33       1.005  10.192 -13.548  1.00  3.810          C  
ATOM    500  NH1 ARG A  33       1.240   9.296 -14.474  1.00  3.810          N  
ATOM    501  NH2 ARG A  33      -0.221  10.260 -13.090  1.00  3.810          N  
ATOM    502  H   ARG A  33       6.699  10.730 -10.378  1.00  3.080          H  
ATOM    503  HA  ARG A  33       5.790   8.173 -11.674  1.00  3.640          H  
ATOM    504 1HB  ARG A  33       5.986  10.962 -12.856  1.00  4.580          H  
ATOM    505 2HB  ARG A  33       5.677   9.507 -13.804  1.00  4.580          H  
ATOM    506 1HG  ARG A  33       3.654   9.101 -12.531  1.00  4.580          H  
ATOM    507 2HG  ARG A  33       3.994  10.532 -11.554  1.00  4.580          H  
ATOM    508 1HD  ARG A  33       3.801  11.960 -13.402  1.00  4.580          H  
ATOM    509 2HD  ARG A  33       3.471  10.587 -14.484  1.00  4.580          H  
ATOM    510  HE  ARG A  33       1.761  11.688 -12.321  1.00  4.580          H  
ATOM    511 1HH1 ARG A  33       2.151   9.207 -14.890  1.00  4.580          H  
ATOM    512 2HH1 ARG A  33       0.448   8.702 -14.779  1.00  4.580          H  
ATOM    513 1HH2 ARG A  33      -0.472  10.927 -12.377  1.00  4.580          H  
ATOM    514 2HH2 ARG A  33      -0.912   9.603 -13.490  1.00  4.580          H  
TER                                                                             
# All scores below are weighted scores, not raw scores.
#BEGIN_POSE_ENERGIES_TABLE model01_0001.pdb
label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro cart_bonded total
weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 0.5 NA
pose -167.987 17.4154 142.772 -10.1064 3.32837 7.91582 64.2104 -70.3646 -0.23743 -2.09634 -54.6512 -10.165 -21.0127 -1.89681 -6.78179 -3.67895 0 5.07497 2.0734 16.8573 26.3227 -5.69276 6.09347 -13.9038 -6.88704 47.5837 -35.8143
PRO:NtermProteinFull_1 -1.66688 0.30369 0.8494 -0.22475 0.02133 0.1628 0.07737 -0.33211 -0 -0 0.04077 -0.11297 0 0 0 0 0 0.02054 0.10323 0.10336 0 0 0 -2.4119 0 0.73957 -2.32655
PRO_2 -1.66101 0.22871 1.3948 -0.19402 0.00314 0.13891 0.3129 -0.59709 -0.00167 -0.03946 -0.48802 0.07139 0 0 0 0 0 -0.00055 0.00029 0.44904 0 -0.97772 0 -2.4119 -0.19281 0.85564 -3.10943
CYS_3 -3.88026 0.51658 0.36866 -0.05159 0.00049 0.01817 0.00821 -0.51929 -0 -0 -0.11081 -0.26672 0 0 0 0 0 0.00586 0.02115 0.66729 0 0.02809 0 3.6196 -0.37672 0.21898 0.2677
THR_4 -3.35679 0.80526 3.0544 -0.16806 0.06316 0.06104 1.50534 -1.58034 -0.00545 -0.06085 -1.1903 -0.29782 0 0 -0.6709 0 0 -0.01609 0.00029 0.13505 0 -0.12652 2.30827 -1.0874 -0.023 0.99287 0.34214
PRO_5 -2.4239 0.481 0.89166 -0.11852 0.00195 0.08775 0.37511 -0.5661 -0 -0 -0.76548 0.26165 0 0 0 0 0 -0.02245 0.0347 0.08257 0 -1.0506 0 -2.4119 -0.04497 1.0604 -4.12714
THR_6 -4.26209 0.58529 2.36049 -0.10875 0.09288 0.06771 0.88461 -1.29505 -0 -0 -0.97008 -0.60769 0 0 -0.5159 0 0 -0.01242 0.03261 0.08387 0 -0.15021 2.31828 -1.0874 -0.47121 1.1345 -1.92058
PRO_7 -5.52822 1.32617 3.7851 -0.11169 0.00036 0.08258 1.40588 -1.35899 -0 -0 0.17948 0.30969 0 0 -0.78759 0 0 0.03611 0.03275 0.1948 0 -1.16513 0 -2.4119 -0.50489 1.78784 -2.72766
PRO_8 -2.35726 0.52608 1.73051 -0.08748 0.00025 0.05447 0.5563 -0.74139 -0 -0 -0.41275 0.74944 0 0 -0.19705 0 0 0.09335 0.01303 0.32698 0 0.42837 0 -2.4119 -0.13103 0.99426 -0.86583
CYS_9 -5.05895 0.31754 4.75638 -0.04853 0.00151 0.01893 1.84716 -2.042 -0 -0 -1.45926 -0.22139 0 0 0 0 0 -0.02185 0.02501 0.54562 0 0.16014 0 3.6196 -0.00016 0.25438 2.69414
ALA_10 -3.98055 0.21606 4.40121 -0.02314 0 0 1.41696 -2.22519 -0 -0 -0.95783 -0.34317 0 0 0 0 0 -0.06555 0 0 0 -0.35046 0 1.8394 -0.409 0.22348 -0.25779
GLU_11 -3.56158 0.17125 4.62852 -0.46947 0.31667 1.48971 1.37093 -2.13348 -0.05656 -0.40996 -0.90864 -2.96573 0 0 0 0 0 0.05416 0.03203 0 3.93335 -0.2262 0 -2.7348 -0.49669 0.21901 -1.74748
MET_12 -5.89444 0.53383 5.14168 -0.31804 0.10787 0.02978 1.87717 -2.19423 -0.02916 -0.14739 -1.44486 -0.06495 0 0 0 0 0 0.10439 0.00402 1.17792 0 -0.02657 0 0.60916 -0.26131 0.25582 -0.53931
ARG_13 -9.70521 1.12444 10.4089 -0.775 0.18476 0.50028 4.34546 -4.63883 -0 -0 -5.06685 0.32844 0 0 -0.98465 0 0 0.01825 0.1128 1.43763 0 -0.0971 0 -1.2888 -0.2793 0.62202 -3.75281
GLU_14 -5.42483 0.43113 6.9664 -0.20995 0.01869 0.2697 2.92929 -3.17803 -0.01861 -0.16354 -3.06355 -0.55636 0 0 0 -0.33575 0 -0.00064 0.07109 0 3.02902 -0.18735 0 -2.7348 -0.45194 0.74743 -1.86262
ASP_15 -4.83013 0.24216 6.55748 -0.11089 0.01449 0.34248 2.94475 -3.00671 -0 -0 -2.99107 -0.28906 0 0 0 -0.28622 0 0.02474 0.05559 0 1.74075 0.16968 0 -2.3716 -0.37745 0.44065 -1.73036
SER_16 -5.29315 0.19071 5.54699 -0.02779 0 0.06506 2.83109 -2.7226 -0 -0 -2.24658 -0.58853 0 0 0 0 0 0.02762 9e-05 0.68114 0 0.33967 0.67476 -0.77834 -0.02555 0.21599 -1.10943
ALA_17 -5.73572 0.34689 4.97545 -0.0219 0 0 3.00016 -2.86713 -0 -0 -2.17166 -0.35159 0 0 0 0 0 0.00579 0 0 0 -0.25147 0 1.8394 -0.10759 0.28015 -1.05921
ARG_18 -6.7339 0.45552 8.72477 -0.53706 0.0863 0.29603 3.70425 -3.89337 -0.029 -0.26841 -4.72737 0.23758 0 0 0 -0.62197 0 0.11855 0.15609 1.90522 0 -0.11271 0 -1.2888 -0.43698 0.65578 -2.30951
VAL_19 -5.41403 0.42925 5.10546 -0.30332 0.19539 0.06774 2.88796 -2.79169 -0 -0 -2.50033 -0.06422 0 0 0 0 0 -0.06189 0.00459 0.04626 0 -0.3308 0 1.9342 -0.23808 0.5916 -0.4419
TYR_20 -11.3203 1.28047 6.65496 -0.56013 0.42414 0.26009 4.37974 -3.99049 -0.00713 -0.10031 -4.06703 -0.35672 0 0 -0.6709 0 0 0.13436 0.0041 0 3.08709 0.17614 0.09414 1.2797 -0.15948 0.67936 -2.77822
GLU_21 -5.82798 0.46183 7.18356 -0.20221 0.02106 0.26996 3.13632 -3.1019 -0.01739 -0.15949 -3.39155 -0.56756 0 0 0 -1.21751 0 -0.03011 0.00527 0 3.07545 -0.14989 0 -2.7348 -0.29519 0.78046 -2.76166
ASN_22 -3.2191 0.1304 3.77646 -0.17644 0.02827 0.26133 1.65619 -1.87861 -0 -0 -0.93009 -0.32003 0 0 0 0 0 -0.00284 0.00175 0 1.44243 0.14982 0 -0.93687 -0.19631 0.4451 0.23146
VAL_23 -4.20275 0.34858 2.98118 -0.33157 0.59041 0.0772 1.50909 -1.69806 -0 -0 -0.86547 -0.76492 0 0 0 0 0 0.00574 0.06691 1.31667 0 0.51481 0 1.9342 -0.05208 0.56679 1.99675
GLY_24 -3.41007 0.25101 3.83532 -5e-05 0 0 1.84792 -1.95811 -0.01463 -0.13735 -1.91982 -0.40314 0 0 0 0 0 -0.18449 0 0 0 -1.45227 0 0.83697 -0.57311 0.58754 -2.69428
LEU_25 -8.65354 1.10624 3.60596 -0.63431 0.20526 0.24519 3.01597 -2.51841 -0.00232 -0.03522 -2.59527 -0.14787 0 0 0 0 0 -0.04679 0.20437 2.08233 0 -0.27525 0 0.18072 -0.69306 0.61708 -4.33893
MET_26 -10.9892 1.28265 6.30245 -0.65847 0.16914 0.2049 2.13131 -3.27029 -0 -0 -0.71416 -0.07221 0 0 -0.69877 0 0 0.33464 0.45858 0.86461 0 0.1339 0 0.60916 -0.10052 0.8607 -3.15159
GLN_27 -3.67367 0.37892 3.96716 -0.26146 0.03913 0.21087 1.33375 -1.91268 -0.00926 -0.06724 -0.63793 -0.69355 0 0 0 0 0 0.13352 0.00507 0 2.80332 -0.19294 0 -0.18838 -0.26006 0.6515 1.62607
GLN_28 -3.16352 0.18655 3.5968 -0.64312 0.08309 0.72352 1.58689 -1.66712 -0.00537 -0.07011 -0.15588 -0.64056 0 0 0 0 0 0.17677 0.03582 0 2.3751 -0.10248 0 -0.18838 0.02212 0.31762 2.46774
GLN_29 -6.91277 0.55244 4.96304 -0.60071 0.05843 0.63534 2.06388 -2.33233 -0.00673 -0.13042 0.28536 -0.21838 0 0 0 0 0 4.30663 0.03101 0 2.06254 -0.07612 0 -0.18838 0.21732 13.647 18.3572
LYS_30 -3.77806 0.39436 4.53122 -0.5627 0.25058 0.41107 2.53636 -2.03955 -0 -0 -2.33237 0.22512 0 0 -1.21944 0 0 -0.03308 0.32896 1.58884 0 -0.2404 0 -1.5107 0.14693 13.8669 12.564
SER_31 -1.72842 0.13616 1.87085 -0.03057 0.00162 0.05051 0.68885 -0.89976 -0.01928 -0.20089 -0.74037 -1.08942 0 0 0 0 0 -0.03722 0.03883 0.34534 0 -0.27642 0.69802 -0.77834 -0.10332 0.51284 -1.56097
PHE_32 -8.0314 1.13102 1.62494 -0.88049 0.17581 0.34897 0.93527 -1.72116 -0 -0 0.03385 -0.44757 0 0 0 0 0 0.00995 0.09176 0 2.77369 0.02523 0 1.0402 -0.18033 0.47002 -2.60024
ARG:CtermProteinFull_33 -6.30693 0.5432 6.22945 -0.65423 0.17222 0.46372 3.10796 -2.69246 -0.01486 -0.10569 -5.36528 0.10383 0 0 -1.03658 -1.21751 0 0 0.1016 2.82273 0 0 0 -1.2888 0.16871 1.29038 -3.67852
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

REMARK ID 700636 DOMAINID 691034 MODEL 5 SHP2 560-593 AB
MODEL     5
REMARK    Rerank model04.pdb to model05.pdb score: 13.404
REMARK    CLUSTER 0004 t000_.out.valid.rescored.best_scoring.binary cluster_size: 10 cluster_threshold: 1.630932
REMARK    SCORE             ref:          -1.484
REMARK    SCORE     lk_ball_wtd:          -8.250
REMARK    SCORE linear_chainbreak:           0.000
REMARK    SCORE     rama_prepro:          -5.280
REMARK    SCORE         p_aa_pp:          -2.866
REMARK    SCORE         fa_elec:         -51.703
REMARK    SCORE fa_intra_sol_xover4:           7.811
REMARK    SCORE           score:         -50.677
REMARK    SCORE    fa_intra_rep:           0.297
REMARK    SCORE        hbond_sc:          -1.181
REMARK    SCORE   yhh_planarity:           0.000
REMARK    SCORE overlap_chainbreak:           0.000
REMARK    SCORE     total_score:         -50.677
REMARK    SCORE          fa_sol:         129.836
REMARK    SCORE            time:           0.000
REMARK    SCORE     hbond_bb_sc:          -7.464
REMARK    SCORE     hbond_sr_bb:         -17.682
REMARK    SCORE     description: cluster0004_0001
REMARK    SCORE       dslf_fa13:           0.000
REMARK    SCORE           omega:           0.043
REMARK    SCORE     hbond_lr_bb:          -1.084
REMARK    SCORE          fa_rep:          16.499
REMARK    SCORE          fa_dun:          40.561
REMARK    SCORE     cart_bonded:          23.406
REMARK    SCORE          fa_atr:        -172.135
ATOM      1  N   PRO A   1      -0.049   0.041  -0.265  1.00  4.990          N  
ATOM      2  CA  PRO A   1       1.379  -0.053   0.038  1.00  4.060          C  
ATOM      3  C   PRO A   1       2.057   1.313   0.017  1.00  3.100          C  
ATOM      4  O   PRO A   1       2.614   1.692  -1.004  1.00  3.300          O  
ATOM      5  CB  PRO A   1       1.896  -0.956  -1.088  1.00  6.090          C  
ATOM      6  CG  PRO A   1       0.999  -0.646  -2.244  1.00  6.090          C  
ATOM      7  CD  PRO A   1      -0.351  -0.381  -1.635  1.00  6.090          C  
ATOM      8  HA  PRO A   1       1.533  -0.542   1.005  1.00  4.870          H  
ATOM      9 1HB  PRO A   1       2.955  -0.734  -1.301  1.00  7.310          H  
ATOM     10 2HB  PRO A   1       1.853  -2.014  -0.795  1.00  7.310          H  
ATOM     11 1HG  PRO A   1       1.394   0.210  -2.813  1.00  7.310          H  
ATOM     12 2HG  PRO A   1       0.966  -1.489  -2.933  1.00  7.310          H  
ATOM     13 1HD  PRO A   1      -0.864   0.431  -2.171  1.00  7.310          H  
ATOM     14 2HD  PRO A   1      -0.954  -1.300  -1.615  1.00  7.310          H  
ATOM     15 1H   PRO A   1      -0.493   0.970  -0.263  1.00  7.310          H  
ATOM     16 2H   PRO A   1      -0.690  -0.567   0.258  1.00  7.310          H  
ATOM     17  N   PRO A   2       1.955   2.102   1.105  1.00  2.600          N  
ATOM     18  CA  PRO A   2       2.552   3.427   1.287  1.00  2.320          C  
ATOM     19  C   PRO A   2       4.020   3.564   0.856  1.00  1.870          C  
ATOM     20  O   PRO A   2       4.420   4.607   0.339  1.00  2.420          O  
ATOM     21  CB  PRO A   2       2.415   3.625   2.804  1.00  3.480          C  
ATOM     22  CG  PRO A   2       1.165   2.859   3.167  1.00  3.480          C  
ATOM     23  CD  PRO A   2       1.219   1.614   2.309  1.00  3.480          C  
ATOM     24  HA  PRO A   2       1.937   4.166   0.752  1.00  2.780          H  
ATOM     25 1HB  PRO A   2       3.317   3.253   3.317  1.00  4.180          H  
ATOM     26 2HB  PRO A   2       2.340   4.698   3.033  1.00  4.180          H  
ATOM     27 1HG  PRO A   2       1.158   2.634   4.246  1.00  4.180          H  
ATOM     28 2HG  PRO A   2       0.274   3.476   2.968  1.00  4.180          H  
ATOM     29 1HD  PRO A   2       1.789   0.831   2.831  1.00  4.180          H  
ATOM     30 2HD  PRO A   2       0.197   1.304   2.075  1.00  4.180          H  
ATOM     31  N   CYS A   3       4.828   2.528   1.097  1.00  1.810          N  
ATOM     32  CA  CYS A   3       6.242   2.566   0.753  1.00  2.230          C  
ATOM     33  C   CYS A   3       6.547   2.223  -0.708  1.00  1.850          C  
ATOM     34  O   CYS A   3       6.078   1.208  -1.245  1.00  2.170          O  
ATOM     35  CB  CYS A   3       7.018   1.627   1.663  1.00  2.950          C  
ATOM     36  SG  CYS A   3       6.992   2.066   3.389  1.00  2.950          S  
ATOM     37  H   CYS A   3       4.480   1.692   1.541  1.00  2.170          H  
ATOM     38  HA  CYS A   3       6.597   3.578   0.939  1.00  2.680          H  
ATOM     39 1HB  CYS A   3       6.598   0.655   1.585  1.00  3.540          H  
ATOM     40 2HB  CYS A   3       8.062   1.574   1.339  1.00  3.540          H  
ATOM     41  HG  CYS A   3       7.919   1.180   3.771  1.00  3.540          H  
ATOM     42  N   THR A   4       7.389   3.054  -1.320  1.00  1.740          N  
ATOM     43  CA  THR A   4       7.864   2.893  -2.685  1.00  1.600          C  
ATOM     44  C   THR A   4       8.574   1.538  -2.809  1.00  1.770          C  
ATOM     45  O   THR A   4       9.316   1.182  -1.899  1.00  2.500          O  
ATOM     46  CB  THR A   4       8.858   4.041  -3.028  1.00  2.300          C  
ATOM     47  OG1 THR A   4       8.197   5.307  -2.894  1.00  2.300          O  
ATOM     48  CG2 THR A   4       9.402   3.907  -4.449  1.00  2.300          C  
ATOM     49  H   THR A   4       7.702   3.873  -0.815  1.00  2.090          H  
ATOM     50  HA  THR A   4       7.010   2.964  -3.345  1.00  1.920          H  
ATOM     51  HB  THR A   4       9.683   4.008  -2.325  1.00  2.760          H  
ATOM     52  HG1 THR A   4       8.844   6.019  -2.970  1.00  2.760          H  
ATOM     53 1HG2 THR A   4      10.096   4.724  -4.640  1.00  2.760          H  
ATOM     54 2HG2 THR A   4       9.923   2.969  -4.571  1.00  2.760          H  
ATOM     55 3HG2 THR A   4       8.581   3.961  -5.157  1.00  2.760          H  
ATOM     56  N   PRO A   5       8.325   0.720  -3.854  1.00  1.700          N  
ATOM     57  CA  PRO A   5       8.990  -0.561  -4.101  1.00  1.770          C  
ATOM     58  C   PRO A   5      10.520  -0.546  -3.953  1.00  1.390          C  
ATOM     59  O   PRO A   5      11.060  -1.351  -3.198  1.00  2.050          O  
ATOM     60  CB  PRO A   5       8.567  -0.855  -5.545  1.00  2.660          C  
ATOM     61  CG  PRO A   5       7.188  -0.242  -5.649  1.00  2.660          C  
ATOM     62  CD  PRO A   5       7.275   1.051  -4.860  1.00  2.660          C  
ATOM     63  HA  PRO A   5       8.560  -1.314  -3.426  1.00  2.120          H  
ATOM     64 1HB  PRO A   5       9.292  -0.444  -6.258  1.00  3.190          H  
ATOM     65 2HB  PRO A   5       8.547  -1.948  -5.708  1.00  3.190          H  
ATOM     66 1HG  PRO A   5       6.923  -0.089  -6.709  1.00  3.190          H  
ATOM     67 2HG  PRO A   5       6.447  -0.946  -5.243  1.00  3.190          H  
ATOM     68 1HD  PRO A   5       7.569   1.881  -5.508  1.00  3.190          H  
ATOM     69 2HD  PRO A   5       6.298   1.210  -4.370  1.00  3.190          H  
ATOM     70  N   THR A   6      11.227   0.363  -4.649  1.00  0.810          N  
ATOM     71  CA  THR A   6      12.695   0.347  -4.552  1.00  0.940          C  
ATOM     72  C   THR A   6      13.374   1.720  -4.343  1.00  0.820          C  
ATOM     73  O   THR A   6      14.012   2.232  -5.263  1.00  0.890          O  
ATOM     74  CB  THR A   6      13.324  -0.332  -5.801  1.00  1.260          C  
ATOM     75  OG1 THR A   6      12.732  -1.617  -5.988  1.00  1.260          O  
ATOM     76  CG2 THR A   6      14.829  -0.582  -5.567  1.00  1.260          C  
ATOM     77  H   THR A   6      10.775   1.024  -5.259  1.00  0.970          H  
ATOM     78  HA  THR A   6      12.969  -0.281  -3.712  1.00  1.130          H  
ATOM     79  HB  THR A   6      13.167   0.286  -6.685  1.00  1.520          H  
ATOM     80  HG1 THR A   6      13.004  -2.006  -6.857  1.00  1.520          H  
ATOM     81 1HG2 THR A   6      15.233  -1.082  -6.444  1.00  1.520          H  
ATOM     82 2HG2 THR A   6      15.380   0.332  -5.408  1.00  1.520          H  
ATOM     83 3HG2 THR A   6      14.952  -1.221  -4.698  1.00  1.520          H  
ATOM     84  N   PRO A   7      13.180   2.380  -3.195  1.00  0.850          N  
ATOM     85  CA  PRO A   7      13.880   3.559  -2.746  1.00  0.900          C  
ATOM     86  C   PRO A   7      15.238   3.069  -2.278  1.00  0.750          C  
ATOM     87  O   PRO A   7      15.369   1.864  -2.043  1.00  0.700          O  
ATOM     88  CB  PRO A   7      12.992   4.062  -1.608  1.00  1.350          C  
ATOM     89  CG  PRO A   7      12.370   2.817  -1.094  1.00  1.350          C  
ATOM     90  CD  PRO A   7      12.136   1.980  -2.307  1.00  1.350          C  
ATOM     91  HA  PRO A   7      13.950   4.270  -3.582  1.00  1.080          H  
ATOM     92 1HB  PRO A   7      13.585   4.576  -0.841  1.00  1.620          H  
ATOM     93 2HB  PRO A   7      12.257   4.784  -1.991  1.00  1.620          H  
ATOM     94 1HG  PRO A   7      13.033   2.311  -0.371  1.00  1.620          H  
ATOM     95 2HG  PRO A   7      11.433   3.041  -0.585  1.00  1.620          H  
ATOM     96 1HD  PRO A   7      12.159   0.946  -2.043  1.00  1.620          H  
ATOM     97 2HD  PRO A   7      11.222   2.259  -2.743  1.00  1.620          H  
ATOM     98  N   PRO A   8      16.245   3.944  -2.134  1.00  0.880          N  
ATOM     99  CA  PRO A   8      17.556   3.638  -1.584  1.00  0.940          C  
ATOM    100  C   PRO A   8      17.547   3.188  -0.115  1.00  0.740          C  
ATOM    101  O   PRO A   8      18.440   2.446   0.299  1.00  0.920          O  
ATOM    102  CB  PRO A   8      18.302   4.972  -1.750  1.00  1.410          C  
ATOM    103  CG  PRO A   8      17.218   6.031  -1.844  1.00  1.410          C  
ATOM    104  CD  PRO A   8      16.070   5.349  -2.552  1.00  1.410          C  
ATOM    105  HA  PRO A   8      18.023   2.865  -2.213  1.00  1.130          H  
ATOM    106 1HB  PRO A   8      18.969   5.130  -0.887  1.00  1.690          H  
ATOM    107 2HB  PRO A   8      18.942   4.937  -2.644  1.00  1.690          H  
ATOM    108 1HG  PRO A   8      16.949   6.391  -0.836  1.00  1.690          H  
ATOM    109 2HG  PRO A   8      17.596   6.906  -2.398  1.00  1.690          H  
ATOM    110 1HD  PRO A   8      15.132   5.779  -2.194  1.00  1.690          H  
ATOM    111 2HD  PRO A   8      16.176   5.438  -3.647  1.00  1.690          H  
ATOM    112  N   CYS A   9      16.520   3.562   0.651  1.00  0.510          N  
ATOM    113  CA  CYS A   9      16.436   3.176   2.052  1.00  0.450          C  
ATOM    114  C   CYS A   9      15.994   1.726   2.244  1.00  0.430          C  
ATOM    115  O   CYS A   9      14.919   1.325   1.781  1.00  0.370          O  
ATOM    116  CB  CYS A   9      15.459   4.093   2.769  1.00  0.650          C  
ATOM    117  SG  CYS A   9      15.967   5.813   2.776  1.00  0.650          S  
ATOM    118  H   CYS A   9      15.805   4.177   0.293  1.00  0.610          H  
ATOM    119  HA  CYS A   9      17.424   3.300   2.499  1.00  0.540          H  
ATOM    120 1HB  CYS A   9      14.496   4.035   2.284  1.00  0.780          H  
ATOM    121 2HB  CYS A   9      15.338   3.766   3.805  1.00  0.780          H  
ATOM    122  HG  CYS A   9      17.119   5.609   3.410  1.00  0.780          H  
ATOM    123  N   ALA A  10      16.808   0.951   2.964  1.00  0.540          N  
ATOM    124  CA  ALA A  10      16.512  -0.459   3.203  1.00  0.580          C  
ATOM    125  C   ALA A  10      15.228  -0.677   3.975  1.00  0.550          C  
ATOM    126  O   ALA A  10      14.485  -1.618   3.687  1.00  0.540          O  
ATOM    127  CB  ALA A  10      17.651  -1.104   3.966  1.00  0.800          C  
ATOM    128  H   ALA A  10      17.663   1.350   3.331  1.00  0.650          H  
ATOM    129  HA  ALA A  10      16.399  -0.943   2.242  1.00  0.700          H  
ATOM    130 1HB  ALA A  10      17.436  -2.162   4.110  1.00  0.960          H  
ATOM    131 2HB  ALA A  10      18.574  -0.992   3.403  1.00  0.960          H  
ATOM    132 3HB  ALA A  10      17.755  -0.618   4.940  1.00  0.960          H  
ATOM    133  N   GLU A  11      14.949   0.194   4.939  1.00  0.580          N  
ATOM    134  CA  GLU A  11      13.773   0.029   5.771  1.00  0.600          C  
ATOM    135  C   GLU A  11      12.518   0.200   4.943  1.00  0.510          C  
ATOM    136  O   GLU A  11      11.563  -0.570   5.076  1.00  0.520          O  
ATOM    137  CB  GLU A  11      13.819   1.047   6.909  1.00  0.830          C  
ATOM    138  CG  GLU A  11      14.981   0.821   7.887  1.00  0.830          C  
ATOM    139  CD  GLU A  11      16.311   1.320   7.344  1.00  0.830          C  
ATOM    140  OE1 GLU A  11      16.300   1.987   6.322  1.00  0.830          O  
ATOM    141  OE2 GLU A  11      17.323   1.024   7.926  1.00  0.830          O  
ATOM    142  H   GLU A  11      15.594   0.965   5.127  1.00  0.700          H  
ATOM    143  HA  GLU A  11      13.779  -0.979   6.189  1.00  0.720          H  
ATOM    144 1HB  GLU A  11      13.902   2.053   6.498  1.00  1.000          H  
ATOM    145 2HB  GLU A  11      12.888   1.000   7.474  1.00  1.000          H  
ATOM    146 1HG  GLU A  11      14.764   1.336   8.822  1.00  1.000          H  
ATOM    147 2HG  GLU A  11      15.058  -0.246   8.098  1.00  1.000          H  
ATOM    148  N   MET A  12      12.541   1.190   4.054  1.00  0.440          N  
ATOM    149  CA  MET A  12      11.409   1.444   3.192  1.00  0.430          C  
ATOM    150  C   MET A  12      11.167   0.250   2.283  1.00  0.380          C  
ATOM    151  O   MET A  12      10.014  -0.168   2.115  1.00  0.410          O  
ATOM    152  CB  MET A  12      11.661   2.696   2.370  1.00  0.610          C  
ATOM    153  CG  MET A  12      11.638   4.010   3.145  1.00  0.610          C  
ATOM    154  SD  MET A  12      10.021   4.402   3.842  1.00  0.610          S  
ATOM    155  CE  MET A  12       9.065   4.813   2.366  1.00  0.610          C  
ATOM    156  H   MET A  12      13.358   1.780   4.021  1.00  0.530          H  
ATOM    157  HA  MET A  12      10.522   1.584   3.808  1.00  0.520          H  
ATOM    158 1HB  MET A  12      12.633   2.611   1.905  1.00  0.730          H  
ATOM    159 2HB  MET A  12      10.931   2.742   1.585  1.00  0.730          H  
ATOM    160 1HG  MET A  12      12.355   3.956   3.963  1.00  0.730          H  
ATOM    161 2HG  MET A  12      11.937   4.827   2.485  1.00  0.730          H  
ATOM    162 1HE  MET A  12       8.048   5.080   2.659  1.00  0.730          H  
ATOM    163 2HE  MET A  12       9.527   5.659   1.856  1.00  0.730          H  
ATOM    164 3HE  MET A  12       9.030   3.964   1.695  1.00  0.730          H  
ATOM    165  N   ARG A  13      12.253  -0.335   1.737  1.00  0.380          N  
ATOM    166  CA  ARG A  13      12.107  -1.493   0.859  1.00  0.430          C  
ATOM    167  C   ARG A  13      11.478  -2.669   1.594  1.00  0.420          C  
ATOM    168  O   ARG A  13      10.565  -3.317   1.065  1.00  0.450          O  
ATOM    169  CB  ARG A  13      13.452  -1.941   0.279  1.00  0.580          C  
ATOM    170  CG  ARG A  13      14.023  -1.008  -0.757  1.00  0.580          C  
ATOM    171  CD  ARG A  13      15.146  -1.580  -1.560  1.00  0.580          C  
ATOM    172  NE  ARG A  13      16.315  -1.958  -0.765  1.00  0.580          N  
ATOM    173  CZ  ARG A  13      17.323  -1.131  -0.383  1.00  0.580          C  
ATOM    174  NH1 ARG A  13      17.306   0.147  -0.671  1.00  0.580          N  
ATOM    175  NH2 ARG A  13      18.347  -1.623   0.307  1.00  0.580          N  
ATOM    176  H   ARG A  13      13.182   0.079   1.892  1.00  0.460          H  
ATOM    177  HA  ARG A  13      11.458  -1.212   0.028  1.00  0.520          H  
ATOM    178 1HB  ARG A  13      14.180  -2.018   1.083  1.00  0.700          H  
ATOM    179 2HB  ARG A  13      13.359  -2.919  -0.172  1.00  0.700          H  
ATOM    180 1HG  ARG A  13      13.238  -0.813  -1.454  1.00  0.700          H  
ATOM    181 2HG  ARG A  13      14.345  -0.074  -0.298  1.00  0.700          H  
ATOM    182 1HD  ARG A  13      14.788  -2.474  -2.076  1.00  0.700          H  
ATOM    183 2HD  ARG A  13      15.456  -0.849  -2.305  1.00  0.700          H  
ATOM    184  HE  ARG A  13      16.401  -2.942  -0.526  1.00  0.700          H  
ATOM    185 1HH1 ARG A  13      16.532   0.583  -1.199  1.00  0.700          H  
ATOM    186 2HH1 ARG A  13      18.060   0.764  -0.339  1.00  0.700          H  
ATOM    187 1HH2 ARG A  13      18.374  -2.608   0.533  1.00  0.700          H  
ATOM    188 2HH2 ARG A  13      19.100  -1.013   0.595  1.00  0.700          H  
ATOM    189  N   GLU A  14      11.920  -2.936   2.830  1.00  0.400          N  
ATOM    190  CA  GLU A  14      11.325  -4.053   3.543  1.00  0.420          C  
ATOM    191  C   GLU A  14       9.846  -3.822   3.820  1.00  0.370          C  
ATOM    192  O   GLU A  14       9.039  -4.734   3.623  1.00  0.380          O  
ATOM    193  CB  GLU A  14      12.018  -4.324   4.879  1.00  0.580          C  
ATOM    194  CG  GLU A  14      13.418  -4.896   4.830  1.00  0.580          C  
ATOM    195  CD  GLU A  14      13.968  -5.169   6.237  1.00  0.580          C  
ATOM    196  OE1 GLU A  14      13.380  -4.696   7.200  1.00  0.580          O  
ATOM    197  OE2 GLU A  14      14.952  -5.858   6.342  1.00  0.580          O  
ATOM    198  H   GLU A  14      12.697  -2.396   3.234  1.00  0.480          H  
ATOM    199  HA  GLU A  14      11.418  -4.941   2.921  1.00  0.500          H  
ATOM    200 1HB  GLU A  14      12.053  -3.397   5.457  1.00  0.700          H  
ATOM    201 2HB  GLU A  14      11.423  -5.028   5.428  1.00  0.700          H  
ATOM    202 1HG  GLU A  14      13.404  -5.824   4.262  1.00  0.700          H  
ATOM    203 2HG  GLU A  14      14.070  -4.191   4.314  1.00  0.700          H  
ATOM    204  N   ASP A  15       9.461  -2.601   4.221  1.00  0.370          N  
ATOM    205  CA  ASP A  15       8.055  -2.344   4.510  1.00  0.370          C  
ATOM    206  C   ASP A  15       7.187  -2.428   3.268  1.00  0.370          C  
ATOM    207  O   ASP A  15       6.056  -2.933   3.335  1.00  0.390          O  
ATOM    208  CB  ASP A  15       7.860  -0.994   5.189  1.00  0.520          C  
ATOM    209  CG  ASP A  15       8.280  -0.961   6.662  1.00  0.520          C  
ATOM    210  OD1 ASP A  15       8.461  -2.007   7.263  1.00  0.520          O  
ATOM    211  OD2 ASP A  15       8.405   0.117   7.189  1.00  0.520          O  
ATOM    212  H   ASP A  15      10.166  -1.870   4.385  1.00  0.440          H  
ATOM    213  HA  ASP A  15       7.712  -3.111   5.202  1.00  0.440          H  
ATOM    214 1HB  ASP A  15       8.470  -0.261   4.660  1.00  0.620          H  
ATOM    215 2HB  ASP A  15       6.820  -0.685   5.107  1.00  0.620          H  
ATOM    216  N   SER A  16       7.711  -1.958   2.130  1.00  0.380          N  
ATOM    217  CA  SER A  16       6.959  -2.000   0.889  1.00  0.430          C  
ATOM    218  C   SER A  16       6.654  -3.447   0.573  1.00  0.450          C  
ATOM    219  O   SER A  16       5.501  -3.811   0.296  1.00  0.460          O  
ATOM    220  CB  SER A  16       7.758  -1.398  -0.248  1.00  0.580          C  
ATOM    221  OG  SER A  16       7.007  -1.370  -1.416  1.00  0.580          O  
ATOM    222  H   SER A  16       8.633  -1.510   2.134  1.00  0.460          H  
ATOM    223  HA  SER A  16       6.018  -1.465   1.010  1.00  0.520          H  
ATOM    224 1HB  SER A  16       8.103  -0.406  -0.006  1.00  0.700          H  
ATOM    225 2HB  SER A  16       8.647  -2.004  -0.411  1.00  0.700          H  
ATOM    226  HG  SER A  16       6.558  -0.479  -1.415  1.00  0.700          H  
ATOM    227  N   ALA A  17       7.695  -4.296   0.646  1.00  0.480          N  
ATOM    228  CA  ALA A  17       7.516  -5.701   0.359  1.00  0.530          C  
ATOM    229  C   ALA A  17       6.533  -6.343   1.316  1.00  0.490          C  
ATOM    230  O   ALA A  17       5.643  -7.067   0.887  1.00  0.520          O  
ATOM    231  CB  ALA A  17       8.835  -6.429   0.445  1.00  0.720          C  
ATOM    232  H   ALA A  17       8.629  -3.942   0.883  1.00  0.580          H  
ATOM    233  HA  ALA A  17       7.120  -5.788  -0.648  1.00  0.640          H  
ATOM    234 1HB  ALA A  17       8.690  -7.483   0.204  1.00  0.870          H  
ATOM    235 2HB  ALA A  17       9.516  -5.991  -0.252  1.00  0.870          H  
ATOM    236 3HB  ALA A  17       9.235  -6.335   1.455  1.00  0.870          H  
ATOM    237  N   ARG A  18       6.590  -6.007   2.610  1.00  0.440          N  
ATOM    238  CA  ARG A  18       5.665  -6.653   3.532  1.00  0.440          C  
ATOM    239  C   ARG A  18       4.225  -6.413   3.127  1.00  0.430          C  
ATOM    240  O   ARG A  18       3.420  -7.348   3.132  1.00  0.460          O  
ATOM    241  CB  ARG A  18       5.873  -6.177   4.964  1.00  0.620          C  
ATOM    242  CG  ARG A  18       7.164  -6.660   5.602  1.00  0.620          C  
ATOM    243  CD  ARG A  18       7.311  -6.279   7.034  1.00  0.620          C  
ATOM    244  NE  ARG A  18       8.655  -6.623   7.503  1.00  0.620          N  
ATOM    245  CZ  ARG A  18       9.703  -5.761   7.635  1.00  0.620          C  
ATOM    246  NH1 ARG A  18       9.582  -4.459   7.405  1.00  0.620          N  
ATOM    247  NH2 ARG A  18      10.891  -6.236   7.998  1.00  0.620          N  
ATOM    248  H   ARG A  18       7.330  -5.388   2.956  1.00  0.530          H  
ATOM    249  HA  ARG A  18       5.854  -7.728   3.501  1.00  0.530          H  
ATOM    250 1HB  ARG A  18       5.885  -5.087   4.980  1.00  0.740          H  
ATOM    251 2HB  ARG A  18       5.042  -6.508   5.583  1.00  0.740          H  
ATOM    252 1HG  ARG A  18       7.191  -7.748   5.545  1.00  0.740          H  
ATOM    253 2HG  ARG A  18       8.006  -6.271   5.071  1.00  0.740          H  
ATOM    254 1HD  ARG A  18       7.150  -5.210   7.156  1.00  0.740          H  
ATOM    255 2HD  ARG A  18       6.588  -6.828   7.635  1.00  0.740          H  
ATOM    256  HE  ARG A  18       8.834  -7.599   7.693  1.00  0.740          H  
ATOM    257 1HH1 ARG A  18       8.711  -4.006   7.132  1.00  0.740          H  
ATOM    258 2HH1 ARG A  18      10.369  -3.834   7.526  1.00  0.740          H  
ATOM    259 1HH2 ARG A  18      11.015  -7.220   8.173  1.00  0.740          H  
ATOM    260 2HH2 ARG A  18      11.705  -5.603   8.051  1.00  0.740          H  
ATOM    261  N   VAL A  19       3.892  -5.185   2.722  1.00  0.430          N  
ATOM    262  CA  VAL A  19       2.514  -4.963   2.324  1.00  0.450          C  
ATOM    263  C   VAL A  19       2.191  -5.749   1.064  1.00  0.430          C  
ATOM    264  O   VAL A  19       1.142  -6.392   1.000  1.00  0.440          O  
ATOM    265  CB  VAL A  19       2.173  -3.489   2.083  1.00  0.620          C  
ATOM    266  CG1 VAL A  19       0.706  -3.408   1.514  1.00  0.620          C  
ATOM    267  CG2 VAL A  19       2.317  -2.719   3.384  1.00  0.620          C  
ATOM    268  H   VAL A  19       4.594  -4.431   2.755  1.00  0.520          H  
ATOM    269  HA  VAL A  19       1.872  -5.320   3.126  1.00  0.540          H  
ATOM    270  HB  VAL A  19       2.855  -3.068   1.340  1.00  0.750          H  
ATOM    271 1HG1 VAL A  19       0.421  -2.400   1.347  1.00  0.750          H  
ATOM    272 2HG1 VAL A  19       0.618  -3.950   0.573  1.00  0.750          H  
ATOM    273 3HG1 VAL A  19       0.021  -3.848   2.240  1.00  0.750          H  
ATOM    274 1HG2 VAL A  19       2.077  -1.675   3.224  1.00  0.750          H  
ATOM    275 2HG2 VAL A  19       1.642  -3.139   4.129  1.00  0.750          H  
ATOM    276 3HG2 VAL A  19       3.347  -2.802   3.741  1.00  0.750          H  
ATOM    277  N   TYR A  20       3.069  -5.708   0.060  1.00  0.430          N  
ATOM    278  CA  TYR A  20       2.788  -6.421  -1.175  1.00  0.430          C  
ATOM    279  C   TYR A  20       2.591  -7.915  -0.920  1.00  0.410          C  
ATOM    280  O   TYR A  20       1.710  -8.545  -1.519  1.00  0.420          O  
ATOM    281  CB  TYR A  20       3.873  -6.171  -2.206  1.00  0.600          C  
ATOM    282  CG  TYR A  20       3.773  -4.832  -2.889  1.00  0.600          C  
ATOM    283  CD1 TYR A  20       4.762  -3.877  -2.732  1.00  0.600          C  
ATOM    284  CD2 TYR A  20       2.678  -4.559  -3.682  1.00  0.600          C  
ATOM    285  CE1 TYR A  20       4.643  -2.659  -3.368  1.00  0.600          C  
ATOM    286  CE2 TYR A  20       2.562  -3.355  -4.317  1.00  0.600          C  
ATOM    287  CZ  TYR A  20       3.538  -2.402  -4.164  1.00  0.600          C  
ATOM    288  OH  TYR A  20       3.421  -1.194  -4.811  1.00  0.600          O  
ATOM    289  H   TYR A  20       3.935  -5.161   0.159  1.00  0.520          H  
ATOM    290  HA  TYR A  20       1.863  -6.030  -1.581  1.00  0.520          H  
ATOM    291 1HB  TYR A  20       4.840  -6.228  -1.716  1.00  0.720          H  
ATOM    292 2HB  TYR A  20       3.830  -6.931  -2.955  1.00  0.720          H  
ATOM    293  HD1 TYR A  20       5.632  -4.083  -2.117  1.00  0.720          H  
ATOM    294  HD2 TYR A  20       1.913  -5.294  -3.808  1.00  0.720          H  
ATOM    295  HE1 TYR A  20       5.418  -1.909  -3.251  1.00  0.720          H  
ATOM    296  HE2 TYR A  20       1.693  -3.152  -4.945  1.00  0.720          H  
ATOM    297  HH  TYR A  20       4.146  -0.623  -4.547  1.00  0.720          H  
ATOM    298  N   GLU A  21       3.400  -8.503  -0.038  1.00  0.420          N  
ATOM    299  CA  GLU A  21       3.232  -9.912   0.283  1.00  0.450          C  
ATOM    300  C   GLU A  21       1.877 -10.148   0.955  1.00  0.450          C  
ATOM    301  O   GLU A  21       1.123 -11.038   0.549  1.00  0.500          O  
ATOM    302  CB  GLU A  21       4.357 -10.379   1.217  1.00  0.620          C  
ATOM    303  CG  GLU A  21       5.754 -10.464   0.576  1.00  0.620          C  
ATOM    304  CD  GLU A  21       6.838 -10.763   1.581  1.00  0.620          C  
ATOM    305  OE1 GLU A  21       6.555 -10.699   2.754  1.00  0.620          O  
ATOM    306  OE2 GLU A  21       7.941 -11.065   1.185  1.00  0.620          O  
ATOM    307  H   GLU A  21       4.151  -7.961   0.398  1.00  0.500          H  
ATOM    308  HA  GLU A  21       3.263 -10.493  -0.633  1.00  0.540          H  
ATOM    309 1HB  GLU A  21       4.426  -9.684   2.057  1.00  0.740          H  
ATOM    310 2HB  GLU A  21       4.110 -11.357   1.623  1.00  0.740          H  
ATOM    311 1HG  GLU A  21       5.745 -11.246  -0.180  1.00  0.740          H  
ATOM    312 2HG  GLU A  21       5.972  -9.521   0.084  1.00  0.740          H  
ATOM    313  N   ASN A  22       1.506  -9.265   1.890  1.00  0.450          N  
ATOM    314  CA  ASN A  22       0.261  -9.378   2.649  1.00  0.510          C  
ATOM    315  C   ASN A  22      -0.988  -9.294   1.786  1.00  0.550          C  
ATOM    316  O   ASN A  22      -1.999  -9.932   2.088  1.00  0.640          O  
ATOM    317  CB  ASN A  22       0.196  -8.307   3.721  1.00  0.690          C  
ATOM    318  CG  ASN A  22       1.135  -8.557   4.873  1.00  0.690          C  
ATOM    319  OD1 ASN A  22       1.581  -9.684   5.122  1.00  0.690          O  
ATOM    320  ND2 ASN A  22       1.446  -7.509   5.593  1.00  0.690          N  
ATOM    321  H   ASN A  22       2.180  -8.544   2.163  1.00  0.540          H  
ATOM    322  HA  ASN A  22       0.250 -10.353   3.132  1.00  0.610          H  
ATOM    323 1HB  ASN A  22       0.440  -7.346   3.279  1.00  0.830          H  
ATOM    324 2HB  ASN A  22      -0.821  -8.240   4.102  1.00  0.830          H  
ATOM    325 1HD2 ASN A  22       2.065  -7.607   6.369  1.00  0.830          H  
ATOM    326 2HD2 ASN A  22       1.066  -6.615   5.366  1.00  0.830          H  
ATOM    327  N   VAL A  23      -0.915  -8.553   0.684  1.00  0.530          N  
ATOM    328  CA  VAL A  23      -2.075  -8.412  -0.185  1.00  0.630          C  
ATOM    329  C   VAL A  23      -2.011  -9.327  -1.413  1.00  0.680          C  
ATOM    330  O   VAL A  23      -2.861  -9.219  -2.298  1.00  0.840          O  
ATOM    331  CB  VAL A  23      -2.244  -6.947  -0.652  1.00  0.840          C  
ATOM    332  CG1 VAL A  23      -2.396  -6.037   0.565  1.00  0.840          C  
ATOM    333  CG2 VAL A  23      -1.068  -6.528  -1.501  1.00  0.840          C  
ATOM    334  H   VAL A  23      -0.060  -8.011   0.519  1.00  0.640          H  
ATOM    335  HA  VAL A  23      -2.960  -8.680   0.390  1.00  0.760          H  
ATOM    336  HB  VAL A  23      -3.156  -6.869  -1.239  1.00  1.010          H  
ATOM    337 1HG1 VAL A  23      -2.540  -5.008   0.239  1.00  1.010          H  
ATOM    338 2HG1 VAL A  23      -3.256  -6.357   1.149  1.00  1.010          H  
ATOM    339 3HG1 VAL A  23      -1.498  -6.097   1.180  1.00  1.010          H  
ATOM    340 1HG2 VAL A  23      -1.199  -5.503  -1.829  1.00  1.010          H  
ATOM    341 2HG2 VAL A  23      -0.191  -6.603  -0.927  1.00  1.010          H  
ATOM    342 3HG2 VAL A  23      -0.984  -7.170  -2.358  1.00  1.010          H  
ATOM    343  N   GLY A  24      -0.998 -10.205  -1.483  1.00  0.620          N  
ATOM    344  CA  GLY A  24      -0.856 -11.145  -2.586  1.00  0.720          C  
ATOM    345  C   GLY A  24      -0.328 -10.579  -3.910  1.00  0.750          C  
ATOM    346  O   GLY A  24      -0.644 -11.144  -4.964  1.00  0.940          O  
ATOM    347  H   GLY A  24      -0.320 -10.263  -0.716  1.00  0.740          H  
ATOM    348 1HA  GLY A  24      -0.191 -11.947  -2.261  1.00  0.860          H  
ATOM    349 2HA  GLY A  24      -1.822 -11.612  -2.767  1.00  0.860          H  
ATOM    350  N   LEU A  25       0.388  -9.444  -3.881  1.00  0.660          N  
ATOM    351  CA  LEU A  25       0.907  -8.808  -5.092  1.00  0.790          C  
ATOM    352  C   LEU A  25       2.441  -8.748  -5.165  1.00  0.650          C  
ATOM    353  O   LEU A  25       3.007  -8.011  -5.972  1.00  0.750          O  
ATOM    354  CB  LEU A  25       0.329  -7.399  -5.189  1.00  1.050          C  
ATOM    355  CG  LEU A  25      -1.219  -7.283  -5.298  1.00  1.050          C  
ATOM    356  CD1 LEU A  25      -1.590  -5.813  -5.220  1.00  1.050          C  
ATOM    357  CD2 LEU A  25      -1.726  -7.897  -6.593  1.00  1.050          C  
ATOM    358  H   LEU A  25       0.637  -9.021  -2.982  1.00  0.790          H  
ATOM    359  HA  LEU A  25       0.579  -9.387  -5.946  1.00  0.950          H  
ATOM    360 1HB  LEU A  25       0.610  -6.884  -4.293  1.00  1.260          H  
ATOM    361 2HB  LEU A  25       0.774  -6.891  -6.047  1.00  1.260          H  
ATOM    362  HG  LEU A  25      -1.684  -7.804  -4.460  1.00  1.260          H  
ATOM    363 1HD1 LEU A  25      -2.673  -5.708  -5.274  1.00  1.260          H  
ATOM    364 2HD1 LEU A  25      -1.234  -5.393  -4.284  1.00  1.260          H  
ATOM    365 3HD1 LEU A  25      -1.131  -5.279  -6.052  1.00  1.260          H  
ATOM    366 1HD2 LEU A  25      -2.808  -7.793  -6.636  1.00  1.260          H  
ATOM    367 2HD2 LEU A  25      -1.282  -7.380  -7.429  1.00  1.260          H  
ATOM    368 3HD2 LEU A  25      -1.473  -8.953  -6.642  1.00  1.260          H  
ATOM    369  N   MET A  26       3.148  -9.494  -4.319  1.00  0.560          N  
ATOM    370  CA  MET A  26       4.611  -9.394  -4.331  1.00  0.570          C  
ATOM    371  C   MET A  26       5.237  -9.950  -5.592  1.00  0.700          C  
ATOM    372  O   MET A  26       6.269  -9.464  -6.050  1.00  0.930          O  
ATOM    373  CB  MET A  26       5.229 -10.067  -3.119  1.00  0.790          C  
ATOM    374  CG  MET A  26       6.715  -9.760  -2.944  1.00  0.790          C  
ATOM    375  SD  MET A  26       6.976  -8.016  -2.604  1.00  0.790          S  
ATOM    376  CE  MET A  26       8.681  -7.775  -2.990  1.00  0.790          C  
ATOM    377  H   MET A  26       2.668 -10.121  -3.687  1.00  0.670          H  
ATOM    378  HA  MET A  26       4.875  -8.342  -4.299  1.00  0.680          H  
ATOM    379 1HB  MET A  26       4.728  -9.722  -2.237  1.00  0.950          H  
ATOM    380 2HB  MET A  26       5.096 -11.148  -3.182  1.00  0.950          H  
ATOM    381 1HG  MET A  26       7.111 -10.335  -2.108  1.00  0.950          H  
ATOM    382 2HG  MET A  26       7.279 -10.030  -3.833  1.00  0.950          H  
ATOM    383 1HE  MET A  26       8.939  -6.736  -2.818  1.00  0.950          H  
ATOM    384 2HE  MET A  26       9.295  -8.412  -2.353  1.00  0.950          H  
ATOM    385 3HE  MET A  26       8.861  -8.025  -4.036  1.00  0.950          H  
ATOM    386  N   GLN A  27       4.582 -10.925  -6.200  1.00  0.740          N  
ATOM    387  CA  GLN A  27       5.068 -11.571  -7.409  1.00  0.950          C  
ATOM    388  C   GLN A  27       5.070 -10.614  -8.602  1.00  1.010          C  
ATOM    389  O   GLN A  27       5.651 -10.926  -9.651  1.00  1.260          O  
ATOM    390  CB  GLN A  27       4.205 -12.805  -7.712  1.00  1.250          C  
ATOM    391  CG  GLN A  27       2.777 -12.484  -8.164  1.00  1.250          C  
ATOM    392  CD  GLN A  27       1.868 -12.188  -6.999  1.00  1.250          C  
ATOM    393  OE1 GLN A  27       2.317 -12.207  -5.836  1.00  1.250          O  
ATOM    394  NE2 GLN A  27       0.618 -11.897  -7.282  1.00  1.250          N  
ATOM    395  H   GLN A  27       3.732 -11.287  -5.774  1.00  0.890          H  
ATOM    396  HA  GLN A  27       6.093 -11.895  -7.234  1.00  1.140          H  
ATOM    397 1HB  GLN A  27       4.679 -13.387  -8.502  1.00  1.500          H  
ATOM    398 2HB  GLN A  27       4.155 -13.442  -6.830  1.00  1.500          H  
ATOM    399 1HG  GLN A  27       2.762 -11.652  -8.846  1.00  1.500          H  
ATOM    400 2HG  GLN A  27       2.382 -13.366  -8.667  1.00  1.500          H  
ATOM    401 1HE2 GLN A  27      -0.021 -11.676  -6.517  1.00  1.500          H  
ATOM    402 2HE2 GLN A  27       0.297 -11.889  -8.227  1.00  1.500          H  
ATOM    403  N   GLN A  28       4.371  -9.474  -8.465  1.00  0.920          N  
ATOM    404  CA  GLN A  28       4.279  -8.483  -9.515  1.00  1.110          C  
ATOM    405  C   GLN A  28       5.363  -7.413  -9.363  1.00  1.230          C  
ATOM    406  O   GLN A  28       5.552  -6.572 -10.251  1.00  1.740          O  
ATOM    407  CB  GLN A  28       2.896  -7.828  -9.483  1.00  1.480          C  
ATOM    408  CG  GLN A  28       1.741  -8.788  -9.765  1.00  1.480          C  
ATOM    409  CD  GLN A  28       0.404  -8.098  -9.708  1.00  1.480          C  
ATOM    410  OE1 GLN A  28       0.332  -6.942  -9.289  1.00  1.480          O  
ATOM    411  NE2 GLN A  28      -0.653  -8.791 -10.108  1.00  1.480          N  
ATOM    412  H   GLN A  28       3.919  -9.249  -7.573  1.00  1.100          H  
ATOM    413  HA  GLN A  28       4.417  -8.977 -10.473  1.00  1.330          H  
ATOM    414 1HB  GLN A  28       2.733  -7.386  -8.499  1.00  1.770          H  
ATOM    415 2HB  GLN A  28       2.857  -7.024 -10.216  1.00  1.770          H  
ATOM    416 1HG  GLN A  28       1.871  -9.233 -10.748  1.00  1.770          H  
ATOM    417 2HG  GLN A  28       1.743  -9.554  -8.998  1.00  1.770          H  
ATOM    418 1HE2 GLN A  28      -1.565  -8.375 -10.085  1.00  1.770          H  
ATOM    419 2HE2 GLN A  28      -0.546  -9.733 -10.426  1.00  1.770          H  
ATOM    420  N   GLN A  29       6.112  -7.434  -8.254  1.00  1.440          N  
ATOM    421  CA  GLN A  29       7.089  -6.384  -8.009  1.00  1.840          C  
ATOM    422  C   GLN A  29       8.394  -6.718  -8.695  1.00  1.480          C  
ATOM    423  O   GLN A  29       9.407  -7.011  -8.062  1.00  2.040          O  
ATOM    424  CB  GLN A  29       7.300  -6.183  -6.509  1.00  2.420          C  
ATOM    425  CG  GLN A  29       6.061  -5.798  -5.774  1.00  2.420          C  
ATOM    426  CD  GLN A  29       5.546  -4.516  -6.266  1.00  2.420          C  
ATOM    427  OE1 GLN A  29       6.217  -3.490  -6.178  1.00  2.420          O  
ATOM    428  NE2 GLN A  29       4.350  -4.544  -6.817  1.00  2.420          N  
ATOM    429  H   GLN A  29       6.004  -8.178  -7.560  1.00  1.730          H  
ATOM    430  HA  GLN A  29       6.721  -5.453  -8.438  1.00  2.210          H  
ATOM    431 1HB  GLN A  29       7.703  -7.092  -6.061  1.00  2.900          H  
ATOM    432 2HB  GLN A  29       8.000  -5.386  -6.362  1.00  2.900          H  
ATOM    433 1HG  GLN A  29       5.297  -6.557  -5.925  1.00  2.900          H  
ATOM    434 2HG  GLN A  29       6.289  -5.701  -4.714  1.00  2.900          H  
ATOM    435 1HE2 GLN A  29       3.940  -3.705  -7.176  1.00  2.900          H  
ATOM    436 2HE2 GLN A  29       3.836  -5.409  -6.864  1.00  2.900          H  
ATOM    437  N   LYS A  30       8.368  -6.617 -10.017  1.00  1.170          N  
ATOM    438  CA  LYS A  30       9.475  -7.064 -10.851  1.00  1.610          C  
ATOM    439  C   LYS A  30      10.733  -6.245 -10.590  1.00  1.500          C  
ATOM    440  O   LYS A  30      11.848  -6.760 -10.688  1.00  2.290          O  
ATOM    441  CB  LYS A  30       9.105  -6.963 -12.332  1.00  2.080          C  
ATOM    442  CG  LYS A  30       7.839  -7.757 -12.753  1.00  2.080          C  
ATOM    443  CD  LYS A  30       7.859  -9.230 -12.355  1.00  2.080          C  
ATOM    444  CE  LYS A  30       6.639  -9.953 -12.920  1.00  2.080          C  
ATOM    445  NZ  LYS A  30       6.478 -11.320 -12.352  1.00  2.080          N  
ATOM    446  H   LYS A  30       7.472  -6.325 -10.418  1.00  1.400          H  
ATOM    447  HA  LYS A  30       9.704  -8.099 -10.602  1.00  1.930          H  
ATOM    448 1HB  LYS A  30       8.944  -5.917 -12.594  1.00  2.490          H  
ATOM    449 2HB  LYS A  30       9.936  -7.324 -12.937  1.00  2.490          H  
ATOM    450 1HG  LYS A  30       6.962  -7.293 -12.305  1.00  2.490          H  
ATOM    451 2HG  LYS A  30       7.734  -7.695 -13.836  1.00  2.490          H  
ATOM    452 1HD  LYS A  30       8.770  -9.707 -12.717  1.00  2.490          H  
ATOM    453 2HD  LYS A  30       7.819  -9.322 -11.266  1.00  2.490          H  
ATOM    454 1HE  LYS A  30       5.742  -9.373 -12.703  1.00  2.490          H  
ATOM    455 2HE  LYS A  30       6.756 -10.035 -13.998  1.00  2.490          H  
ATOM    456 1HZ  LYS A  30       5.669 -11.760 -12.756  1.00  2.490          H  
ATOM    457 2HZ  LYS A  30       7.295 -11.879 -12.543  1.00  2.490          H  
ATOM    458 3HZ  LYS A  30       6.335 -11.236 -11.320  1.00  2.490          H  
ATOM    459  N   SER A  31      10.530  -4.969 -10.260  1.00  1.400          N  
ATOM    460  CA  SER A  31      11.564  -3.987  -9.988  1.00  1.930          C  
ATOM    461  C   SER A  31      12.042  -3.950  -8.537  1.00  1.760          C  
ATOM    462  O   SER A  31      12.876  -3.101  -8.187  1.00  2.090          O  
ATOM    463  CB  SER A  31      11.055  -2.621 -10.406  1.00  2.490          C  
ATOM    464  OG  SER A  31       9.922  -2.239  -9.657  1.00  2.490          O  
ATOM    465  H   SER A  31       9.580  -4.625 -10.220  1.00  1.680          H  
ATOM    466  HA  SER A  31      12.424  -4.231 -10.612  1.00  2.320          H  
ATOM    467 1HB  SER A  31      11.847  -1.884 -10.273  1.00  2.990          H  
ATOM    468 2HB  SER A  31      10.803  -2.642 -11.464  1.00  2.990          H  
ATOM    469  HG  SER A  31       9.649  -1.384 -10.008  1.00  2.990          H  
ATOM    470  N   PHE A  32      11.491  -4.810  -7.668  1.00  2.100          N  
ATOM    471  CA  PHE A  32      11.905  -4.798  -6.270  1.00  2.300          C  
ATOM    472  C   PHE A  32      13.343  -5.284  -6.148  1.00  2.280          C  
ATOM    473  O   PHE A  32      13.691  -6.338  -6.696  1.00  2.920          O  
ATOM    474  CB  PHE A  32      11.009  -5.672  -5.408  1.00  3.140          C  
ATOM    475  CG  PHE A  32      11.323  -5.541  -3.967  1.00  3.140          C  
ATOM    476  CD1 PHE A  32      10.852  -4.445  -3.272  1.00  3.140          C  
ATOM    477  CD2 PHE A  32      12.094  -6.472  -3.299  1.00  3.140          C  
ATOM    478  CE1 PHE A  32      11.139  -4.277  -1.957  1.00  3.140          C  
ATOM    479  CE2 PHE A  32      12.385  -6.303  -1.964  1.00  3.140          C  
ATOM    480  CZ  PHE A  32      11.909  -5.204  -1.296  1.00  3.140          C  
ATOM    481  H   PHE A  32      10.812  -5.508  -7.986  1.00  2.520          H  
ATOM    482  HA  PHE A  32      11.840  -3.786  -5.892  1.00  2.760          H  
ATOM    483 1HB  PHE A  32       9.997  -5.381  -5.550  1.00  3.770          H  
ATOM    484 2HB  PHE A  32      11.102  -6.717  -5.705  1.00  3.770          H  
ATOM    485  HD1 PHE A  32      10.245  -3.695  -3.786  1.00  3.770          H  
ATOM    486  HD2 PHE A  32      12.479  -7.340  -3.841  1.00  3.770          H  
ATOM    487  HE1 PHE A  32      10.755  -3.395  -1.434  1.00  3.770          H  
ATOM    488  HE2 PHE A  32      12.999  -7.035  -1.439  1.00  3.770          H  
ATOM    489  HZ  PHE A  32      12.135  -5.064  -0.240  1.00  3.770          H  
ATOM    490  N   ARG A  33      14.166  -4.558  -5.391  1.00  2.230          N  
ATOM    491  CA  ARG A  33      15.556  -4.952  -5.181  1.00  2.570          C  
ATOM    492  C   ARG A  33      15.998  -4.726  -3.740  1.00  2.470          C  
ATOM    493  O   ARG A  33      15.889  -5.625  -2.907  1.00  2.680          O  
ATOM    494  OXT ARG A  33      16.851  -3.858  -3.560  1.00  3.850          O  
ATOM    495  CB  ARG A  33      16.501  -4.159  -6.082  1.00  3.270          C  
ATOM    496  CG  ARG A  33      16.320  -4.341  -7.587  1.00  3.270          C  
ATOM    497  CD  ARG A  33      16.735  -5.682  -8.064  1.00  3.270          C  
ATOM    498  NE  ARG A  33      16.623  -5.781  -9.509  1.00  3.270          N  
ATOM    499  CZ  ARG A  33      15.488  -6.086 -10.189  1.00  3.270          C  
ATOM    500  NH1 ARG A  33      14.357  -6.330  -9.555  1.00  3.270          N  
ATOM    501  NH2 ARG A  33      15.523  -6.139 -11.515  1.00  3.270          N  
ATOM    502  H   ARG A  33      13.813  -3.701  -4.977  1.00  2.680          H  
ATOM    503  HA  ARG A  33      15.653  -6.014  -5.397  1.00  3.080          H  
ATOM    504 1HB  ARG A  33      16.399  -3.104  -5.869  1.00  3.920          H  
ATOM    505 2HB  ARG A  33      17.529  -4.433  -5.849  1.00  3.920          H  
ATOM    506 1HG  ARG A  33      15.283  -4.179  -7.856  1.00  3.920          H  
ATOM    507 2HG  ARG A  33      16.932  -3.604  -8.102  1.00  3.920          H  
ATOM    508 1HD  ARG A  33      17.776  -5.852  -7.792  1.00  3.920          H  
ATOM    509 2HD  ARG A  33      16.121  -6.455  -7.618  1.00  3.920          H  
ATOM    510  HE  ARG A  33      17.459  -5.605 -10.051  1.00  3.920          H  
ATOM    511 1HH1 ARG A  33      14.288  -6.306  -8.525  1.00  3.920          H  
ATOM    512 2HH1 ARG A  33      13.504  -6.559 -10.080  1.00  3.920          H  
ATOM    513 1HH2 ARG A  33      16.385  -5.954 -12.004  1.00  3.920          H  
ATOM    514 2HH2 ARG A  33      14.689  -6.369 -12.043  1.00  3.920          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 -172.052 16.5025 150.037 -10.8248 3.46852 8.79626 63.0071 -72.7737 -0.35689 -2.93601 -57.387 -9.37332 -20.0356 -1.23006 -8.44596 -1.16864 0 0.05694 2.24855 16.3707 26.94 -2.9103 6.93832 -13.9038 -5.85698 19.3073 -65.5811
PRO:NtermProteinFull_1 -3.09947 0.6015 1.74089 -0.19086 0.07352 0.14015 0.33782 -0.61765 -0 -0 0.98178 1.1517 0 0 0 0 0 0.00613 0.00103 0.08166 0 0 0 -2.4119 0 0.64304 -0.56066
PRO_2 -1.33109 0.24489 1.01664 -0.0672 0 0.04157 0.21484 -0.32992 -0.00457 -0.08455 0.29884 0.59907 0 0 0 0 0 -0.12505 0.00655 0.13339 0 -0.58448 0 -2.4119 0.32785 0.86503 -1.19009
CYS_3 -5.49452 0.51201 2.82825 -0.04558 3e-05 0.01688 0.75925 -1.37722 -0.00366 -0.07178 -1.108 -0.18834 0 0 -0.40761 0 0 -0.01242 0.00118 0.42996 0 0.18208 0 3.6196 0.20924 0.41129 0.26065
THR_4 -3.86543 0.82276 2.88247 -0.15599 0.05959 0.05724 0.7908 -1.37088 -0.00457 -0.08455 0.08462 -0.15156 0 0 0 0 0 -0.02988 0.00234 0.07937 0 0.05567 2.34055 -1.0874 -0.23936 1.0472 1.233
PRO_5 -4.69703 0.64817 2.4136 -0.0623 1e-05 0.04063 1.41638 -1.10101 -0.01722 -0.1509 -0.1943 0.60557 0 0 0 0 0 -0.03087 0.0623 0.06404 0 0.27094 0 -2.4119 0.60059 1.19998 -1.34333
THR_6 -4.17524 0.62501 2.96555 -0.2018 0.40053 0.08823 1.39392 -1.47459 -0.00478 -0.0778 -1.17103 0.22708 0 0 -0.52486 0 0 0.96239 0.02077 0.69295 0 0.17116 2.26491 -1.0874 0.76353 1.2426 3.10114
PRO_7 -5.94607 1.36746 4.11104 -0.21007 0.01396 0.15728 1.37071 -1.49098 -0 -0 -0.78098 0.0359 0 0 -0.75495 0 0 0.01629 0.01115 0.34252 0 -0.8318 0 -2.4119 -0.12381 1.79063 -3.33363
PRO_8 -2.14938 0.41066 1.65405 -0.08324 0 0.05146 0.55356 -0.71898 -0 -0 -0.5036 0.69815 0 0 -0.21548 0 0 -0.09638 0.00337 0.47696 0 -0.10548 0 -2.4119 -0.40408 1.1522 -1.6881
CYS_9 -4.52052 0.25238 4.57094 -0.05301 0.00116 0.01881 1.73007 -2.00904 -0 -0 -1.14946 -0.27628 0 0 0 0 0 -0.06403 0.01357 0.6729 0 0.10455 0 3.6196 -0.36663 0.32243 2.86742
ALA_10 -3.96583 0.22076 4.50491 -0.02308 0 0 1.48081 -2.2597 -0 -0 -1.04573 -0.34968 0 0 0 0 0 -0.05447 0 0 0 -0.29259 0 1.8394 -0.41547 0.15784 -0.20282
GLU_11 -3.74221 0.16665 4.85144 -0.46927 0.30922 1.4861 1.46416 -2.22827 -0.04355 -0.31809 -1.2911 -2.97265 0 0 0 0 0 0.02603 0.03178 0 3.94048 -0.21391 0 -2.7348 -0.4905 0.17504 -2.05345
MET_12 -6.54502 0.45298 5.01015 -0.54445 0.1726 0.14048 2.18753 -2.33689 -0.02949 -0.15088 -1.39663 0.02456 0 0 0 0 0 0.00251 0.08359 1.1013 0 0.03824 0 0.60916 -0.20981 0.22219 -1.16786
ARG_13 -9.99883 0.81946 9.80592 -0.76648 0.0852 0.50632 4.04047 -4.57105 -0.02748 -0.23849 -4.64918 0.29958 0 0 -0.97042 0 0 -0.0025 0.07982 1.44544 0 -0.05559 0 -1.2888 -0.16417 0.51981 -5.131
GLU_14 -5.50922 0.40476 6.97844 -0.20949 0.01778 0.26866 2.89622 -3.188 -0.0078 -0.09811 -3.27724 -0.54741 0 0 0 -0.33771 0 -0.02569 0.07317 0 3.03786 -0.20023 0 -2.7348 -0.38128 0.62538 -2.21472
ASP_15 -5.57356 0.24924 6.7968 -0.11115 0.01663 0.34408 2.90817 -3.06958 -0 -0 -2.95108 -0.25962 0 0 0 -0.24661 0 0.00098 0.08367 0 1.7445 0.11561 0 -2.3716 -0.37828 0.39454 -2.30726
SER_16 -6.83381 0.63751 6.94736 -0.02822 0 0.0596 3.03584 -3.29842 -0 -0 -3.46785 -0.74363 0 0 -0.40761 0 0 0.00297 0.10221 0.58626 0 0.35747 1.71932 -0.77834 0.03697 0.44602 -1.62634
ALA_17 -6.12243 0.50459 4.66836 -0.02166 0 0 2.73245 -2.86288 -0.01022 -0.06859 -2.13268 -0.34773 0 0 0 0 0 -0.047 0 0 0 -0.23594 0 1.8394 -0.00672 0.5964 -1.51465
ARG_18 -6.88362 0.52544 8.98299 -0.55714 0.09632 0.3111 3.74561 -4.00167 -0.02774 -0.23903 -4.94127 0.24709 0 0 0 -0.58432 0 -0.00016 0.10716 1.9071 0 -0.11419 0 -1.2888 -0.37869 0.76086 -2.33296
VAL_19 -6.20746 0.66092 4.76255 -0.31756 0.33123 0.07344 2.76378 -2.67552 -0 -0 -1.71836 -0.24646 0 0 0 0 0 -0.06992 0.0323 0.07658 0 -0.35122 0 1.9342 -0.20864 0.76762 -0.39251
TYR_20 -11.132 0.99373 6.7805 -0.60721 0.0964 0.26961 3.17033 -3.78713 -0.01032 -0.11082 -3.03924 -0.2734 0 0 0 0 0 0.0801 0.05299 0 2.74104 0.07951 0.01103 1.2797 -0.15628 0.45652 -3.10491
GLU_21 -5.51367 0.3812 6.18713 -0.2059 0.03198 0.29413 1.87889 -2.74047 -0.01995 -0.1647 -2.10671 -0.57676 0 0 0 0 0 -0.03812 0.03447 0 3.05048 -0.16204 0 -2.7348 -0.31424 0.38919 -2.3299
ASN_22 -3.65206 0.19652 3.95823 -0.18084 0.02546 0.2719 1.76229 -2.02222 -0.01022 -0.06859 -1.08247 -0.33614 0 0 0 0 0 -0.06461 0.00398 0 1.464 0.10799 0 -0.93687 -0.23986 0.39572 -0.40778
VAL_23 -4.52474 0.51323 2.31591 -0.31818 0.21822 0.06948 1.75777 -1.83088 -0 -0 -0.84205 -0.09956 0 0 0 0 0 -0.06128 0.01794 0.21079 0 0.41775 0 1.9342 -0.05448 0.31571 0.03985
GLY_24 -2.56213 0.08613 2.84069 -5e-05 0 0 1.73751 -1.49479 -0 -0 -1.68025 -0.37013 0 0 -0.66658 0 0 -0.16877 0 0 0 -1.28733 0 0.83697 -0.42167 0.45384 -2.69656
LEU_25 -6.59606 0.51579 4.50452 -0.51358 0.25145 0.15722 2.10178 -2.54976 -0.01198 -0.10947 -1.92549 0.02962 0 0 0 0 0 0.01174 0.02362 0.46995 0 0.22385 0 0.18072 -0.42771 0.56708 -3.09672
MET_26 -8.00182 0.79695 4.46675 -0.71546 0.23633 0.37856 1.44477 -2.22063 -0 -0 -0.87272 -0.43977 0 0 0 0 0 -0.04351 0.04461 3.31176 0 -0.16547 0 0.60916 -0.1515 0.45929 -0.86271
GLN_27 -4.41128 0.27543 4.90719 -0.81087 0.40137 1.16982 1.99436 -2.29995 -0.02146 -0.11552 -2.45667 -2.29229 0 0 -1.13127 0 0 -0.07644 0.09233 0 3.65616 -0.08167 0 -0.18838 -0.3237 0.32883 -1.38402
GLN_28 -4.94558 0.61683 4.37329 -0.28112 0.04841 0.24195 1.57668 -2.10214 -0.03435 -0.24052 -1.6271 -0.67903 0 0 0 0 0 0.00079 0.02357 0 2.83723 -0.1826 0 -0.18838 -0.45646 0.30733 -0.71118
GLN_29 -6.8739 0.51917 5.41234 -0.7123 0.13494 0.7744 2.26219 -2.55205 -0.02912 -0.20088 -2.0273 -0.81497 0 0 0 0 0 0.13973 0.06827 0 2.35532 -0.00596 0 -0.18838 -0.07111 0.45844 -1.35117
LYS_30 -3.03869 0.21988 4.54596 -0.55743 0.13616 0.41437 2.60339 -1.94229 -0 -0 -3.34764 0.22056 0 0 -1.20019 0 0 -0.05917 1.02803 2.25633 0 -0.05702 0 -1.5107 -0.08371 0.51988 0.14773
SER_31 -2.55777 0.1614 3.15939 -0.03292 0.00694 0.05599 0.95666 -1.45688 -0.00594 -0.0942 -1.02326 -0.99086 0 0 -0.52486 0 0 -0.07924 0.04376 0.41898 0 -0.18054 0.60252 -0.77834 -0.55394 0.44078 -2.43232
PHE_32 -7.18792 0.88373 3.77509 -0.7876 0.05915 0.05204 1.89739 -2.44847 -0.0222 -0.16097 -2.04584 -0.41213 0 0 -0.45332 0 0 -0.04319 0.0624 0 2.11292 0.07292 0 1.0402 -0.51868 0.35438 -3.77007
ARG:CtermProteinFull_33 -4.39329 0.21533 5.31804 -0.98277 0.24394 0.84475 2.04072 -2.34383 -0.01027 -0.08759 -2.89697 -0.14379 0 0 -1.18881 0 0 0 0.03663 1.6124 0 0 0 -1.2888 -0.25439 0.52023 -2.75848
#END_POSE_ENERGIES_TABLE model01_0001.pdb

ENDMDL

