COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  N   CYS A   1       1.886  -7.067   2.115  1.00  0.00           N  
ATOM      2  CA  CYS A   1       1.552  -7.224   0.694  1.00  0.00           C  
ATOM      3  C   CYS A   1       2.579  -6.508  -0.146  1.00  0.00           C  
ATOM      4  O   CYS A   1       2.392  -6.332  -1.331  1.00  0.00           O  
ATOM      5  CB  CYS A   1       0.169  -6.628   0.426  1.00  0.00           C  
ATOM      6  SG  CYS A   1      -0.844  -7.832  -0.478  1.00  0.00           S  
ATOM      7  N   THR A   2       3.721  -6.062   0.450  1.00  0.00           N  
ATOM      8  CA  THR A   2       4.683  -5.368  -0.433  1.00  0.00           C  
ATOM      9  C   THR A   2       5.264  -4.194   0.311  1.00  0.00           C  
ATOM     10  O   THR A   2       5.320  -4.202   1.523  1.00  0.00           O  
ATOM     11  CB  THR A   2       3.961  -4.872  -1.689  1.00  0.00           C  
ATOM     12  OG1 THR A   2       4.871  -4.125  -2.497  1.00  0.00           O  
ATOM     13  CG2 THR A   2       2.787  -3.979  -1.283  1.00  0.00           C  
ATOM     14  N   GLU A   3       5.726  -3.125  -0.393  1.00  0.00           N  
ATOM     15  CA  GLU A   3       6.285  -2.005   0.389  1.00  0.00           C  
ATOM     16  C   GLU A   3       6.212  -0.748  -0.439  1.00  0.00           C  
ATOM     17  O   GLU A   3       6.044  -0.809  -1.638  1.00  0.00           O  
ATOM     18  CB  GLU A   3       7.744  -2.303   0.741  1.00  0.00           C  
ATOM     19  CG  GLU A   3       7.806  -3.516   1.672  1.00  0.00           C  
ATOM     20  CD  GLU A   3       9.243  -3.810   2.018  1.00  0.00           C  
ATOM     21  OE1 GLU A   3      10.127  -3.120   1.567  1.00  0.00           O  
ATOM     22  OE2 GLU A   3       9.542  -4.838   2.828  1.00  0.00           O  
ATOM     23  N   ARG A   4       6.337   0.459   0.184  1.00  0.00           N  
ATOM     24  CA  ARG A   4       6.255   1.649  -0.691  1.00  0.00           C  
ATOM     25  C   ARG A   4       5.591   2.766   0.074  1.00  0.00           C  
ATOM     26  O   ARG A   4       5.611   2.776   1.286  1.00  0.00           O  
ATOM     27  CB  ARG A   4       5.429   1.316  -1.934  1.00  0.00           C  
ATOM     28  CG  ARG A   4       4.062   0.777  -1.509  1.00  0.00           C  
ATOM     29  CD  ARG A   4       3.197   0.546  -2.750  1.00  0.00           C  
ATOM     30  NE  ARG A   4       1.887   0.030  -2.343  1.00  0.00           N  
ATOM     31  CZ  ARG A   4       0.940  -0.253  -3.288  1.00  0.00           C  
ATOM     32  NH1 ARG A   4       1.208  -0.060  -4.578  1.00  0.00           N  
ATOM     33  NH2 ARG A   4      -0.251  -0.723  -2.918  1.00  0.00           N1+
ATOM     34  N   MET A   5       4.971   3.761  -0.614  1.00  0.00           N  
ATOM     35  CA  MET A   5       4.335   4.826   0.186  1.00  0.00           C  
ATOM     36  C   MET A   5       3.154   5.370  -0.576  1.00  0.00           C  
ATOM     37  O   MET A   5       3.096   5.260  -1.782  1.00  0.00           O  
ATOM     38  CB  MET A   5       5.343   5.949   0.438  1.00  0.00           C  
ATOM     39  CG  MET A   5       6.489   5.421   1.305  1.00  0.00           C  
ATOM     40  SD  MET A   5       7.684   6.752   1.604  1.00  0.00           S  
ATOM     41  CE  MET A   5       8.944   5.947   2.630  1.00  0.00           C  
ATOM     42  N   ALA A   6       2.152   5.987   0.113  1.00  0.00           N  
ATOM     43  CA  ALA A   6       1.025   6.493  -0.701  1.00  0.00           C  
ATOM     44  C   ALA A   6      -0.237   6.415   0.119  1.00  0.00           C  
ATOM     45  O   ALA A   6      -0.184   6.410   1.330  1.00  0.00           O  
ATOM     46  CB  ALA A   6       0.874   5.635  -1.959  1.00  0.00           C  
ATOM     47  N   LEU A   7      -1.438   6.350  -0.518  1.00  0.00           N  
ATOM     48  CA  LEU A   7      -2.639   6.276   0.335  1.00  0.00           C  
ATOM     49  C   LEU A   7      -3.703   5.489  -0.387  1.00  0.00           C  
ATOM     50  O   LEU A   7      -3.656   5.350  -1.591  1.00  0.00           O  
ATOM     51  CB  LEU A   7      -3.152   7.689   0.621  1.00  0.00           C  
ATOM     52  CG  LEU A   7      -2.115   8.450   1.450  1.00  0.00           C  
ATOM     53  CD1 LEU A   7      -2.571   9.899   1.630  1.00  0.00           C  
ATOM     54  CD2 LEU A   7      -1.971   7.786   2.820  1.00  0.00           C  
ATOM     55  N   HIS A   8      -4.719   4.937   0.336  1.00  0.00           N  
ATOM     56  CA  HIS A   8      -5.726   4.179  -0.438  1.00  0.00           C  
ATOM     57  C   HIS A   8      -6.207   3.022   0.400  1.00  0.00           C  
ATOM     58  O   HIS A   8      -6.104   3.054   1.608  1.00  0.00           O  
ATOM     59  CB  HIS A   8      -5.092   3.651  -1.727  1.00  0.00           C  
ATOM     60  CG  HIS A   8      -3.910   2.780  -1.385  1.00  0.00           C  
ATOM     61  ND1 HIS A   8      -3.954   1.472  -1.092  1.00  0.00           N1+
ATOM     62  CD2 HIS A   8      -2.625   3.178  -1.327  1.00  0.00           C  
ATOM     63  CE1 HIS A   8      -2.744   1.045  -0.849  1.00  0.00           C  
ATOM     64  NE2 HIS A   8      -1.885   2.078  -0.985  1.00  0.00           N  
ATOM     65  N   ASN A   9      -6.758   1.941  -0.216  1.00  0.00           N  
ATOM     66  CA  ASN A   9      -7.205   0.836   0.654  1.00  0.00           C  
ATOM     67  C   ASN A   9      -7.142  -0.453  -0.124  1.00  0.00           C  
ATOM     68  O   ASN A   9      -7.236  -0.447  -1.333  1.00  0.00           O  
ATOM     69  CB  ASN A   9      -8.644   1.092   1.107  1.00  0.00           C  
ATOM     70  CG  ASN A   9      -9.049   0.041   2.110  1.00  0.00           C  
ATOM     71  OD1 ASN A   9      -8.219  -0.722   2.556  1.00  0.00           O  
ATOM     72  ND2 ASN A   9     -10.333  -0.049   2.509  1.00  0.00           N  
ATOM     73  N   LEU A  10      -6.977  -1.625   0.553  1.00  0.00           N  
ATOM     74  CA  LEU A  10      -6.923  -2.848  -0.277  1.00  0.00           C  
ATOM     75  C   LEU A  10      -6.126  -3.896   0.456  1.00  0.00           C  
ATOM     76  O   LEU A  10      -6.166  -3.963   1.666  1.00  0.00           O  
ATOM     77  CB  LEU A  10      -6.247  -2.532  -1.613  1.00  0.00           C  
ATOM     78  CG  LEU A  10      -4.980  -1.712  -1.362  1.00  0.00           C  
ATOM     79  CD1 LEU A  10      -3.941  -2.583  -0.653  1.00  0.00           C  
ATOM     80  CD2 LEU A  10      -4.413  -1.227  -2.698  1.00  0.00           C  
ATOM     81  N   CYS A  11      -5.363  -4.767  -0.258  1.00  0.00           N  
ATOM     82  CA  CYS A  11      -4.605  -5.772   0.512  1.00  0.00           C  
ATOM     83  C   CYS A  11      -4.095  -5.152   1.787  1.00  0.00           C  
ATOM     84  O   CYS A  11      -3.781  -3.986   1.809  1.00  0.00           O  
ATOM     85  CB  CYS A  11      -3.423  -6.254  -0.333  1.00  0.00           C  
ATOM     86  SG  CYS A  11      -2.663  -7.699   0.458  1.00  0.00           S  
ATOM     87  OXT CYS A  11      -3.988  -5.897   2.900  1.00  0.00           O  
ATOM     88  H1  CYS A   1       2.796  -7.453   2.318  1.00  0.00           H  
ATOM     89  H2  CYS A   1       1.834  -6.099   2.394  1.00  0.00           H  
ATOM     90  HA  CYS A   1       1.547  -8.284   0.436  1.00  0.00           H  
ATOM     91  HB1 CYS A   1      -0.313  -6.387   1.373  1.00  0.00           H  
ATOM     92  HB2 CYS A   1       0.273  -5.721  -0.170  1.00  0.00           H  
ATOM     93  H   THR A   2       3.892  -6.191   1.396  1.00  0.00           H  
ATOM     94  HA  THR A   2       5.481  -6.054  -0.715  1.00  0.00           H  
ATOM     95  HB  THR A   2       3.589  -5.727  -2.254  1.00  0.00           H  
ATOM     96  HG1 THR A   2       4.481  -3.779  -3.312  1.00  0.00           H  
ATOM     97 HG21 THR A   2       2.194  -3.736  -2.164  1.00  0.00           H  
ATOM     98 HG22 THR A   2       2.164  -4.504  -0.559  1.00  0.00           H  
ATOM     99 HG23 THR A   2       3.167  -3.060  -0.836  1.00  0.00           H  
ATOM    100  H   GLU A   3       5.690  -3.101  -1.362  1.00  0.00           H  
ATOM    101  HA  GLU A   3       5.706  -1.874   1.304  1.00  0.00           H  
ATOM    102  HB1 GLU A   3       8.301  -2.516  -0.171  1.00  0.00           H  
ATOM    103  HB2 GLU A   3       8.181  -1.439   1.241  1.00  0.00           H  
ATOM    104  HG1 GLU A   3       7.249  -3.303   2.584  1.00  0.00           H  
ATOM    105  HG2 GLU A   3       7.369  -4.380   1.172  1.00  0.00           H  
ATOM    106  HE2 GLU A   3      10.477  -4.987   3.021  1.00  0.00           H  
ATOM    107  H   ARG A   4       6.472   0.532   1.141  1.00  0.00           H  
ATOM    108  HA  ARG A   4       7.259   1.955  -0.986  1.00  0.00           H  
ATOM    109  HB1 ARG A   4       5.294   2.218  -2.533  1.00  0.00           H  
ATOM    110  HB2 ARG A   4       5.949   0.562  -2.525  1.00  0.00           H  
ATOM    111  HG1 ARG A   4       4.192  -0.164  -0.976  1.00  0.00           H  
ATOM    112  HG2 ARG A   4       3.573   1.500  -0.855  1.00  0.00           H  
ATOM    113  HD1 ARG A   4       3.066   1.488  -3.283  1.00  0.00           H  
ATOM    114  HD2 ARG A   4       3.685  -0.177  -3.404  1.00  0.00           H  
ATOM    115  HE  ARG A   4       1.692  -0.111  -1.403  1.00  0.00           H  
ATOM    116 HH11 ARG A   4       2.074   0.282  -4.848  1.00  0.00           H  
ATOM    117 HH12 ARG A   4       0.536  -0.261  -5.248  1.00  0.00           H  
ATOM    118 HH21 ARG A   4      -0.446  -0.863  -1.978  1.00  0.00           H  
ATOM    119 HH22 ARG A   4      -0.923  -0.924  -3.588  1.00  0.00           H  
ATOM    120  H   MET A   5       4.947   3.772  -1.584  1.00  0.00           H  
ATOM    121  HA  MET A   5       3.998   4.415   1.138  1.00  0.00           H  
ATOM    122  HB1 MET A   5       5.741   6.301  -0.513  1.00  0.00           H  
ATOM    123  HB2 MET A   5       4.849   6.773   0.953  1.00  0.00           H  
ATOM    124  HG1 MET A   5       6.091   5.069   2.257  1.00  0.00           H  
ATOM    125  HG2 MET A   5       6.983   4.597   0.791  1.00  0.00           H  
ATOM    126  HE1 MET A   5       9.727   6.665   2.875  1.00  0.00           H  
ATOM    127  HE2 MET A   5       8.485   5.582   3.549  1.00  0.00           H  
ATOM    128  HE3 MET A   5       9.377   5.109   2.083  1.00  0.00           H  
ATOM    129  H   ALA A   6       2.176   6.087   1.077  1.00  0.00           H  
ATOM    130  HA  ALA A   6       1.214   7.529  -0.983  1.00  0.00           H  
ATOM    131  HB1 ALA A   6       1.009   4.584  -1.700  1.00  0.00           H  
ATOM    132  HB2 ALA A   6      -0.119   5.781  -2.381  1.00  0.00           H  
ATOM    133  HB3 ALA A   6       1.627   5.928  -2.691  1.00  0.00           H  
ATOM    134  H   LEU A   7      -1.500   6.352  -1.487  1.00  0.00           H  
ATOM    135  HA  LEU A   7      -2.391   5.779   1.273  1.00  0.00           H  
ATOM    136  HB1 LEU A   7      -3.320   8.212  -0.320  1.00  0.00           H  
ATOM    137  HB2 LEU A   7      -4.089   7.630   1.176  1.00  0.00           H  
ATOM    138  HG  LEU A   7      -1.155   8.432   0.934  1.00  0.00           H  
ATOM    139 HD11 LEU A   7      -3.531   9.917   2.145  1.00  0.00           H  
ATOM    140 HD12 LEU A   7      -1.832  10.441   2.220  1.00  0.00           H  
ATOM    141 HD13 LEU A   7      -2.673  10.372   0.653  1.00  0.00           H  
ATOM    142 HD21 LEU A   7      -1.647   6.753   2.692  1.00  0.00           H  
ATOM    143 HD22 LEU A   7      -1.232   8.328   3.411  1.00  0.00           H  
ATOM    144 HD23 LEU A   7      -2.932   7.803   3.336  1.00  0.00           H  
ATOM    145  H   HIS A   8      -4.778   5.036   1.299  1.00  0.00           H  
ATOM    146  HA  HIS A   8      -6.566   4.828  -0.681  1.00  0.00           H  
ATOM    147  HB1 HIS A   8      -5.827   3.066  -2.280  1.00  0.00           H  
ATOM    148  HB2 HIS A   8      -4.760   4.490  -2.339  1.00  0.00           H  
ATOM    149  HD1 HIS A   8      -4.757   0.929  -1.064  1.00  0.00           H  
ATOM    150  HD2 HIS A   8      -2.250   4.173  -1.515  1.00  0.00           H  
ATOM    151  HE1 HIS A   8      -2.475   0.033  -0.586  1.00  0.00           H  
ATOM    152  HE2 HIS A   8      -0.923   2.046  -0.865  1.00  0.00           H  
ATOM    153  H   ASN A   9      -6.852   1.899  -1.181  1.00  0.00           H  
ATOM    154  HA  ASN A   9      -6.552   0.770   1.524  1.00  0.00           H  
ATOM    155  HB1 ASN A   9      -8.710   2.078   1.568  1.00  0.00           H  
ATOM    156  HB2 ASN A   9      -9.310   1.047   0.246  1.00  0.00           H  
ATOM    157 HD21 ASN A   9     -10.996   0.561   2.152  1.00  0.00           H  
ATOM    158 HD22 ASN A   9     -10.593  -0.725   3.154  1.00  0.00           H  
ATOM    159  H   LEU A  10      -6.901  -1.655   1.519  1.00  0.00           H  
ATOM    160  HA  LEU A  10      -7.934  -3.215  -0.454  1.00  0.00           H  
ATOM    161  HB1 LEU A  10      -5.984  -3.462  -2.117  1.00  0.00           H  
ATOM    162  HB2 LEU A  10      -6.932  -1.960  -2.240  1.00  0.00           H  
ATOM    163  HG  LEU A  10      -5.221  -0.852  -0.737  1.00  0.00           H  
ATOM    164 HD11 LEU A  10      -3.859  -3.541  -1.167  1.00  0.00           H  
ATOM    165 HD12 LEU A  10      -2.975  -2.079  -0.666  1.00  0.00           H  
ATOM    166 HD13 LEU A  10      -4.250  -2.749   0.379  1.00  0.00           H  
ATOM    167 HD21 LEU A  10      -5.154  -0.607  -3.203  1.00  0.00           H  
ATOM    168 HD22 LEU A  10      -3.511  -0.643  -2.520  1.00  0.00           H  
ATOM    169 HD23 LEU A  10      -4.172  -2.087  -3.324  1.00  0.00           H  
ATOM    170  H   CYS A  11      -5.319  -4.729  -1.226  1.00  0.00           H  
ATOM    171  HA  CYS A  11      -5.254  -6.615   0.750  1.00  0.00           H  
ATOM    172  HB1 CYS A  11      -3.775  -6.527  -1.327  1.00  0.00           H  
ATOM    173  HB2 CYS A  11      -2.686  -5.455  -0.415  1.00  0.00           H  
ATOM    174  HXT CYS A  11      -3.656  -5.455   3.693  1.00  0.00           H  
CONECT    1    2   88   89                                            
CONECT    2    1    3    5   90                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   91   92                                       
CONECT    6    5   86                                                 
CONECT    7    8   93    3                                            
CONECT    8    7    9   11   94                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   13   95                                       
CONECT   12   11   96                                                 
CONECT   13   11   97   98   99                                       
CONECT   14   15  100    9                                            
CONECT   15   14   16   18  101                                       
CONECT   16   15   17   17   23                                       
CONECT   17   16   16                                                 
CONECT   18   15   19  102  103                                       
CONECT   19   18   20  104  105                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20  106                                                 
CONECT   23   24  107   16                                            
CONECT   24   23   25   27  108                                       
CONECT   25   24   26   26   34                                       
CONECT   26   25   25                                                 
CONECT   27   24   28  109  110                                       
CONECT   28   27   29  111  112                                       
CONECT   29   28   30  113  114                                       
CONECT   30   29   31  115                                            
CONECT   31   30   32   33   33                                       
CONECT   32   31  116  117                                            
CONECT   33   31   31  118  119                                       
CONECT   34   35  120   25                                            
CONECT   35   34   36   38  121                                       
CONECT   36   35   37   37   42                                       
CONECT   37   36   36                                                 
CONECT   38   35   39  122  123                                       
CONECT   39   38   40  124  125                                       
CONECT   40   39   41                                                 
CONECT   41   40  126  127  128                                       
CONECT   42   43  129   36                                            
CONECT   43   42   44   46  130                                       
CONECT   44   43   45   45   47                                       
CONECT   45   44   44                                                 
CONECT   46   43  131  132  133                                       
CONECT   47   48  134   44                                            
CONECT   48   47   49   51  135                                       
CONECT   49   48   50   50   55                                       
CONECT   50   49   49                                                 
CONECT   51   48   52  136  137                                       
CONECT   52   51   53   54  138                                       
CONECT   53   52  139  140  141                                       
CONECT   54   52  142  143  144                                       
CONECT   55   56  145   49                                            
CONECT   56   55   57   59  146                                       
CONECT   57   56   58   58   65                                       
CONECT   58   57   57                                                 
CONECT   59   56   60  147  148                                       
CONECT   60   59   61   62   62                                       
CONECT   61   60   63   63  149                                       
CONECT   62   60   60   64  150                                       
CONECT   63   61   61   64  151                                       
CONECT   64   62   63  152                                            
CONECT   65   66  153   57                                            
CONECT   66   65   67   69  154                                       
CONECT   67   66   68   68   73                                       
CONECT   68   67   67                                                 
CONECT   69   66   70  155  156                                       
CONECT   70   69   71   71   72                                       
CONECT   71   70   70                                                 
CONECT   72   70  157  158                                            
CONECT   73   74  159   67                                            
CONECT   74   73   75   77  160                                       
CONECT   75   74   76   76   81                                       
CONECT   76   75   75                                                 
CONECT   77   74   78  161  162                                       
CONECT   78   77   79   80  163                                       
CONECT   79   78  164  165  166                                       
CONECT   80   78  167  168  169                                       
CONECT   81   82  170   75                                            
CONECT   82   81   83   85  171                                       
CONECT   83   82   84   84   87                                       
CONECT   84   83   83                                                 
CONECT   85   82   86  172  173                                       
CONECT   86   85    6                                                 
CONECT   87   83  174                                                 
CONECT   88    1                                                      
CONECT   89    1                                                      
CONECT   90    2                                                      
CONECT   91    5                                                      
CONECT   92    5                                                      
CONECT   93    7                                                      
CONECT   94    8                                                      
CONECT   95   11                                                      
CONECT   96   12                                                      
CONECT   97   13                                                      
CONECT   98   13                                                      
CONECT   99   13                                                      
CONECT  100   14                                                      
CONECT  101   15                                                      
CONECT  102   18                                                      
CONECT  103   18                                                      
CONECT  104   19                                                      
CONECT  105   19                                                      
CONECT  106   22                                                      
CONECT  107   23                                                      
CONECT  108   24                                                      
CONECT  109   27                                                      
CONECT  110   27                                                      
CONECT  111   28                                                      
CONECT  112   28                                                      
CONECT  113   29                                                      
CONECT  114   29                                                      
CONECT  115   30                                                      
CONECT  116   32                                                      
CONECT  117   32                                                      
CONECT  118   33                                                      
CONECT  119   33                                                      
CONECT  120   34                                                      
CONECT  121   35                                                      
CONECT  122   38                                                      
CONECT  123   38                                                      
CONECT  124   39                                                      
CONECT  125   39                                                      
CONECT  126   41                                                      
CONECT  127   41                                                      
CONECT  128   41                                                      
CONECT  129   42                                                      
CONECT  130   43                                                      
CONECT  131   46                                                      
CONECT  132   46                                                      
CONECT  133   46                                                      
CONECT  134   47                                                      
CONECT  135   48                                                      
CONECT  136   51                                                      
CONECT  137   51                                                      
CONECT  138   52                                                      
CONECT  139   53                                                      
CONECT  140   53                                                      
CONECT  141   53                                                      
CONECT  142   54                                                      
CONECT  143   54                                                      
CONECT  144   54                                                      
CONECT  145   55                                                      
CONECT  146   56                                                      
CONECT  147   59                                                      
CONECT  148   59                                                      
CONECT  149   61                                                      
CONECT  150   62                                                      
CONECT  151   63                                                      
CONECT  152   64                                                      
CONECT  153   65                                                      
CONECT  154   66                                                      
CONECT  155   69                                                      
CONECT  156   69                                                      
CONECT  157   72                                                      
CONECT  158   72                                                      
CONECT  159   73                                                      
CONECT  160   74                                                      
CONECT  161   77                                                      
CONECT  162   77                                                      
CONECT  163   78                                                      
CONECT  164   79                                                      
CONECT  165   79                                                      
CONECT  166   79                                                      
CONECT  167   80                                                      
CONECT  168   80                                                      
CONECT  169   80                                                      
CONECT  170   81                                                      
CONECT  171   82                                                      
CONECT  172   85                                                      
CONECT  173   85                                                      
CONECT  174   87                                                      
MASTER        0    0    0    0    0    0    0    0  174    0  174    0
END
