data_UNNAMED
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.auth_atom_id 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.auth_comp_id 
_atom_site.label_comp_id 
_atom_site.pdbx_auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.label_asym_id 
_atom_site.auth_seq_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_PDB_model_num 
_atom_site.label_entity_id 
_atom_site.type_symbol 
_atom_site.pdbx_formal_charge 
HETATM 1   C    C    . ORN ORN ORN A A 1  1  . 1.411   35.005 19.512 1.00 62.46  1 . C  ? 
HETATM 2   O    O    . ORN ORN ORN A A 1  1  . 1.593   34.370 18.471 1.00 50.19  1 . O  ? 
HETATM 3   CB   CB   . ORN ORN ORN A A 1  1  . -0.547  35.949 20.850 1.00 64.24  1 . C  ? 
HETATM 4   CG   CG   . ORN ORN ORN A A 1  1  . -1.027  37.274 21.453 1.00 69.49  1 . C  ? 
HETATM 5   CD   CD   . ORN ORN ORN A A 1  1  . 0.020   37.862 22.412 1.00 74.91  1 . C  ? 
HETATM 6   NE   NE   . ORN ORN ORN A A 1  1  . 0.147   37.047 23.610 1.00 77.18  1 . N  ? 
HETATM 7   CA   CA   . ORN ORN ORN A A 1  1  . 0.339   36.136 19.605 1.00 58.45  1 . C  ? 
HETATM 8   N    N    . ORN ORN ORN A A 1  1  . -0.501  36.196 18.371 1.00 80.79  1 . N  ? 
HETATM 9   H    H    . ORN ORN ORN A A 1  1  . -0.694  36.955 24.177 1.00 92.68  1 . H  ? 
HETATM 10  HA   HA   . ORN ORN ORN A A 1  1  . 0.885   37.083 19.636 1.00 70.20  1 . H  ? 
HETATM 11  HB2  HB2  . ORN ORN ORN A A 1  1  . -1.435  35.366 20.568 1.00 77.15  1 . H  ? 
HETATM 12  HB3  HB3  . ORN ORN ORN A A 1  1  . 0.032   35.419 21.619 1.00 77.15  1 . H  ? 
HETATM 13  HG2  HG2  . ORN ORN ORN A A 1  1  . -1.224  37.990 20.646 1.00 83.46  1 . H  ? 
HETATM 14  HG3  HG3  . ORN ORN ORN A A 1  1  . -1.965  37.108 21.995 1.00 83.46  1 . H  ? 
HETATM 15  HD2  HD2  . ORN ORN ORN A A 1  1  . -0.289  38.871 22.700 1.00 89.96  1 . H  ? 
HETATM 16  HD3  HD3  . ORN ORN ORN A A 1  1  . 0.988   37.898 21.902 1.00 89.96  1 . H  ? 
HETATM 17  HN1  HN1  . ORN ORN ORN A A 1  1  . 0.036   36.302 17.506 1.00 97.02  1 . H  ? 
HETATM 18  HN2  HN2  . ORN ORN ORN A A 1  1  . -1.074  35.362 18.217 1.00 97.02  1 . H  ? 
HETATM 19  HN3  HN3  . ORN ORN ORN A A 1  1  . -1.167  36.972 18.358 1.00 97.02  1 . H  ? 
ATOM   20  N    N    . VAL VAL VAL A A 2  2  . 2.137   34.777 20.656 1.00 51.54  1 . N  ? 
ATOM   21  CA   CA   . VAL VAL VAL A A 2  2  . 3.179   33.760 20.723 1.00 43.67  1 . C  ? 
ATOM   22  C    C    . VAL VAL VAL A A 2  2  . 2.874   32.748 21.826 1.00 50.40  1 . C  ? 
ATOM   23  O    O    . VAL VAL VAL A A 2  2  . 2.513   33.118 22.944 1.00 51.18  1 . O  ? 
ATOM   24  CB   CB   . VAL VAL VAL A A 2  2  . 4.555   34.413 20.947 1.00 46.70  1 . C  ? 
ATOM   25  CG1  CG1  . VAL VAL VAL A A 2  2  . 5.562   33.395 21.462 1.00 56.41  1 . C  ? 
ATOM   26  CG2  CG2  . VAL VAL VAL A A 2  2  . 5.049   35.060 19.663 1.00 55.35  1 . C  ? 
ATOM   27  H    H    . VAL VAL VAL A A 2  2  . 2.027   35.209 21.392 1.00 61.91  1 . H  ? 
ATOM   28  HA   HA   . VAL VAL VAL A A 2  2  . 3.203   33.280 19.881 1.00 52.47  1 . H  ? 
ATOM   29  HB   HB   . VAL VAL VAL A A 2  2  . 4.465   35.105 21.620 1.00 56.10  1 . H  ? 
ATOM   30  HG11 HG11 . VAL VAL VAL A A 2  2  . 6.458   33.742 21.331 1.00 67.76  1 . H  ? 
ATOM   31  HG12 HG12 . VAL VAL VAL A A 2  2  . 5.402   33.242 22.407 1.00 67.76  1 . H  ? 
ATOM   32  HG13 HG13 . VAL VAL VAL A A 2  2  . 5.454   32.566 20.970 1.00 67.76  1 . H  ? 
ATOM   33  HG21 HG21 . VAL VAL VAL A A 2  2  . 5.900   35.492 19.834 1.00 66.49  1 . H  ? 
ATOM   34  HG22 HG22 . VAL VAL VAL A A 2  2  . 5.156   34.375 18.984 1.00 66.49  1 . H  ? 
ATOM   35  HG23 HG23 . VAL VAL VAL A A 2  2  . 4.398   35.717 19.370 1.00 66.49  1 . H  ? 
ATOM   36  N    N    . HIS HIS HIS A A 3  3  . 3.036   31.467 21.504 1.00 40.35  1 . N  ? 
ATOM   37  CA   CA   . HIS HIS HIS A A 3  3  . 2.786   30.387 22.449 1.00 44.61  1 . C  ? 
ATOM   38  C    C    . HIS HIS HIS A A 3  3  . 4.061   30.075 23.222 1.00 42.18  1 . C  ? 
ATOM   39  O    O    . HIS HIS HIS A A 3  3  . 5.137   29.944 22.633 1.00 47.89  1 . O  ? 
ATOM   40  CB   CB   . HIS HIS HIS A A 3  3  . 2.297   29.133 21.720 1.00 48.11  1 . C  ? 
ATOM   41  CG   CG   . HIS HIS HIS A A 3  3  . 0.925   29.266 21.136 1.00 56.29  1 . C  ? 
ATOM   42  ND1  ND1  . HIS HIS HIS A A 3  3  . 0.627   30.161 20.130 1.00 54.75  1 . N  ? 
ATOM   43  CD2  CD2  . HIS HIS HIS A A 3  3  . -0.229  28.616 21.414 1.00 56.86  1 . C  ? 
ATOM   44  CE1  CE1  . HIS HIS HIS A A 3  3  . -0.652  30.058 19.817 1.00 45.72  1 . C  ? 
ATOM   45  NE2  NE2  . HIS HIS HIS A A 3  3  . -1.194  29.126 20.581 1.00 63.01  1 . N  ? 
ATOM   46  H    H    . HIS HIS HIS A A 3  3  . 3.295   31.195 20.730 1.00 48.49  1 . H  ? 
ATOM   47  HA   HA   . HIS HIS HIS A A 3  3  . 2.100   30.662 23.077 1.00 53.60  1 . H  ? 
ATOM   48  HB2  HB2  . HIS HIS HIS A A 3  3  . 2.910   28.937 20.994 1.00 57.80  1 . H  ? 
ATOM   49  HB3  HB3  . HIS HIS HIS A A 3  3  . 2.281   28.395 22.348 1.00 57.80  1 . H  ? 
ATOM   50  HD2  HD2  . HIS HIS HIS A A 3  3  . -0.346  27.947 22.050 1.00 68.30  1 . H  ? 
ATOM   51  HE1  HE1  . HIS HIS HIS A A 3  3  . -1.095  30.556 19.169 1.00 54.93  1 . H  ? 
ATOM   52  HE2  HE2  . HIS HIS HIS A A 3  3  . -2.018  28.880 20.561 1.00 75.68  1 . H  ? 
ATOM   53  N    N    . HIS HIS HIS A A 4  4  . 3.937   29.967 24.540 1.00 53.46  1 . N  ? 
ATOM   54  CA   CA   . HIS HIS HIS A A 4  4  . 5.034   29.553 25.405 1.00 53.29  1 . C  ? 
ATOM   55  C    C    . HIS HIS HIS A A 4  4  . 4.667   28.209 26.018 1.00 50.51  1 . C  ? 
ATOM   56  O    O    . HIS HIS HIS A A 4  4  . 3.650   28.096 26.710 1.00 53.04  1 . O  ? 
ATOM   57  CB   CB   . HIS HIS HIS A A 4  4  . 5.303   30.595 26.490 1.00 46.79  1 . C  ? 
ATOM   58  CG   CG   . HIS HIS HIS A A 4  4  . 5.978   31.832 25.983 1.00 50.38  1 . C  ? 
ATOM   59  ND1  ND1  . HIS HIS HIS A A 4  4  . 5.282   32.896 25.450 1.00 53.03  1 . N  ? 
ATOM   60  CD2  CD2  . HIS HIS HIS A A 4  4  . 7.287   32.175 25.928 1.00 58.26  1 . C  ? 
ATOM   61  CE1  CE1  . HIS HIS HIS A A 4  4  . 6.133   33.840 25.088 1.00 54.91  1 . C  ? 
ATOM   62  NE2  NE2  . HIS HIS HIS A A 4  4  . 7.356   33.427 25.368 1.00 57.19  1 . N  ? 
ATOM   63  H    H    . HIS HIS HIS A A 4  4  . 3.209   30.133 24.966 1.00 64.22  1 . H  ? 
ATOM   64  HA   HA   . HIS HIS HIS A A 4  4  . 5.847   29.449 24.887 1.00 64.02  1 . H  ? 
ATOM   65  HB2  HB2  . HIS HIS HIS A A 4  4  . 4.458   30.860 26.885 1.00 56.21  1 . H  ? 
ATOM   66  HB3  HB3  . HIS HIS HIS A A 4  4  . 5.876   30.201 27.166 1.00 56.21  1 . H  ? 
ATOM   67  HD2  HD2  . HIS HIS HIS A A 4  4  . 8.005   31.659 26.216 1.00 69.97  1 . H  ? 
ATOM   68  HE1  HE1  . HIS HIS HIS A A 4  4  . 5.909   34.656 24.703 1.00 65.96  1 . H  ? 
ATOM   69  HE2  HE2  . HIS HIS HIS A A 4  4  . 8.078   33.870 25.223 1.00 68.69  1 . H  ? 
ATOM   70  N    N    . CYS CYS CYS A A 5  5  . 5.481   27.192 25.748 1.00 45.16  1 . N  ? 
ATOM   71  CA   CA   . CYS CYS CYS A A 5  5  . 5.208   25.834 26.186 1.00 46.07  1 . C  ? 
ATOM   72  C    C    . CYS CYS CYS A A 5  5  . 6.292   25.364 27.145 1.00 46.39  1 . C  ? 
ATOM   73  O    O    . CYS CYS CYS A A 5  5  . 7.379   25.942 27.222 1.00 50.74  1 . O  ? 
ATOM   74  CB   CB   . CYS CYS CYS A A 5  5  . 5.113   24.876 24.992 1.00 50.82  1 . C  ? 
ATOM   75  SG   SG   . CYS CYS CYS A A 5  5  . 3.864   25.345 23.781 1.00 60.06  1 . S  ? 
ATOM   76  H    H    . CYS CYS CYS A A 5  5  . 6.213   27.270 25.303 1.00 54.25  1 . H  ? 
ATOM   77  HA   HA   . CYS CYS CYS A A 5  5  . 4.362   25.816 26.660 1.00 55.35  1 . H  ? 
ATOM   78  HB2  HB2  . CYS CYS CYS A A 5  5  . 5.971   24.856 24.540 1.00 61.05  1 . H  ? 
ATOM   79  HB3  HB3  . CYS CYS CYS A A 5  5  . 4.890   23.991 25.319 1.00 61.05  1 . H  ? 
ATOM   80  N    N    . LYS LYS LYS A A 6  6  . 5.979   24.300 27.880 1.00 43.29  1 . N  ? 
ATOM   81  CA   CA   . LYS LYS LYS A A 6  6  . 6.941   23.714 28.799 1.00 45.61  1 . C  ? 
ATOM   82  C    C    . LYS LYS LYS A A 6  6  . 6.563   22.268 29.066 1.00 35.69  1 . C  ? 
ATOM   83  O    O    . LYS LYS LYS A A 6  6  . 5.387   21.900 29.017 1.00 39.46  1 . O  ? 
ATOM   84  CB   CB   . LYS LYS LYS A A 6  6  . 7.003   24.489 30.117 1.00 51.14  1 . C  ? 
ATOM   85  CG   CG   . LYS LYS LYS A A 6  6  . 8.166   25.450 30.213 1.00 74.56  1 . C  ? 
ATOM   86  CD   CD   . LYS LYS LYS A A 6  6  . 7.964   26.393 31.373 1.00 83.27  1 . C  ? 
ATOM   87  CE   CE   . LYS LYS LYS A A 6  6  . 7.391   27.717 30.917 1.00 82.31  1 . C  ? 
ATOM   88  NZ   NZ   . LYS LYS LYS A A 6  6  . 7.489   28.722 32.002 1.00 89.33  1 . N  ? 
ATOM   89  H    H    . LYS LYS LYS A A 6  6  . 5.217   23.902 27.862 1.00 52.01  1 . H  ? 
ATOM   90  HA   HA   . LYS LYS LYS A A 6  6  . 7.819   23.729 28.388 1.00 54.80  1 . H  ? 
ATOM   91  HB2  HB2  . LYS LYS LYS A A 6  6  . 6.187   25.004 30.214 1.00 61.44  1 . H  ? 
ATOM   92  HB3  HB3  . LYS LYS LYS A A 6  6  . 7.083   23.855 30.847 1.00 61.44  1 . H  ? 
ATOM   93  HG2  HG2  . LYS LYS LYS A A 6  6  . 8.988   24.955 30.355 1.00 89.54  1 . H  ? 
ATOM   94  HG3  HG3  . LYS LYS LYS A A 6  6  . 8.229   25.971 29.397 1.00 89.54  1 . H  ? 
ATOM   95  HD2  HD2  . LYS LYS LYS A A 6  6  . 7.346   25.995 32.007 1.00 99.99  1 . H  ? 
ATOM   96  HD3  HD3  . LYS LYS LYS A A 6  6  . 8.817   26.561 31.803 1.00 99.99  1 . H  ? 
ATOM   97  HE2  HE2  . LYS LYS LYS A A 6  6  . 7.888   28.040 30.150 1.00 98.84  1 . H  ? 
ATOM   98  HE3  HE3  . LYS LYS LYS A A 6  6  . 6.456   27.604 30.684 1.00 98.84  1 . H  ? 
ATOM   99  HZ1  HZ1  . LYS LYS LYS A A 6  6  . 7.147   29.498 31.729 1.00 107.27 1 . H  ? 
ATOM   100 HZ2  HZ2  . LYS LYS LYS A A 6  6  . 7.038   28.444 32.717 1.00 107.27 1 . H  ? 
ATOM   101 HZ3  HZ3  . LYS LYS LYS A A 6  6  . 8.341   28.845 32.227 1.00 107.27 1 . H  ? 
ATOM   102 N    N    . LEU LEU LEU A A 7  7  . 7.575   21.460 29.359 1.00 40.25  1 . N  ? 
ATOM   103 CA   CA   . LEU LEU LEU A A 7  7  . 7.373   20.064 29.711 1.00 39.77  1 . C  ? 
ATOM   104 C    C    . LEU LEU LEU A A 7  7  . 7.123   19.943 31.207 1.00 40.96  1 . C  ? 
ATOM   105 O    O    . LEU LEU LEU A A 7  7  . 7.800   20.579 32.015 1.00 38.17  1 . O  ? 
ATOM   106 CB   CB   . LEU LEU LEU A A 7  7  . 8.589   19.226 29.314 1.00 43.06  1 . C  ? 
ATOM   107 CG   CG   . LEU LEU LEU A A 7  7  . 8.908   19.146 27.820 1.00 47.83  1 . C  ? 
ATOM   108 CD1  CD1  . LEU LEU LEU A A 7  7  . 10.107  18.237 27.599 1.00 54.67  1 . C  ? 
ATOM   109 CD2  CD2  . LEU LEU LEU A A 7  7  . 7.707   18.651 27.022 1.00 47.03  1 . C  ? 
ATOM   110 H    H    . LEU LEU LEU A A 7  7  . 8.400   21.702 29.360 1.00 48.37  1 . H  ? 
ATOM   111 HA   HA   . LEU LEU LEU A A 7  7  . 6.601   19.715 29.238 1.00 47.79  1 . H  ? 
ATOM   112 HB2  HB2  . LEU LEU LEU A A 7  7  . 9.368   19.603 29.751 1.00 51.74  1 . H  ? 
ATOM   113 HB3  HB3  . LEU LEU LEU A A 7  7  . 8.442   18.319 29.622 1.00 51.74  1 . H  ? 
ATOM   114 HG   HG   . LEU LEU LEU A A 7  7  . 9.122   20.034 27.494 1.00 57.47  1 . H  ? 
ATOM   115 HD11 HD11 . LEU LEU LEU A A 7  7  . 10.290  18.181 26.648 1.00 65.67  1 . H  ? 
ATOM   116 HD12 HD12 . LEU LEU LEU A A 7  7  . 10.874  18.609 28.063 1.00 65.67  1 . H  ? 
ATOM   117 HD13 HD13 . LEU LEU LEU A A 7  7  . 9.903   17.356 27.950 1.00 65.67  1 . H  ? 
ATOM   118 HD21 HD21 . LEU LEU LEU A A 7  7  . 7.973   18.523 26.098 1.00 56.50  1 . H  ? 
ATOM   119 HD22 HD22 . LEU LEU LEU A A 7  7  . 7.403   17.810 27.398 1.00 56.50  1 . H  ? 
ATOM   120 HD23 HD23 . LEU LEU LEU A A 7  7  . 6.999   19.312 27.074 1.00 56.50  1 . H  ? 
ATOM   121 N    N    . VAL VAL VAL A A 8  8  . 6.134   19.136 31.569 1.00 40.38  1 . N  ? 
ATOM   122 CA   CA   . VAL VAL VAL A A 8  8  . 5.845   18.826 32.962 1.00 34.46  1 . C  ? 
ATOM   123 C    C    . VAL VAL VAL A A 8  8  . 5.735   17.316 33.088 1.00 38.32  1 . C  ? 
ATOM   124 O    O    . VAL VAL VAL A A 8  8  . 5.148   16.652 32.227 1.00 34.80  1 . O  ? 
ATOM   125 CB   CB   . VAL VAL VAL A A 8  8  . 4.556   19.514 33.452 1.00 43.72  1 . C  ? 
ATOM   126 CG1  CG1  . VAL VAL VAL A A 8  8  . 4.518   20.958 32.986 1.00 46.61  1 . C  ? 
ATOM   127 CG2  CG2  . VAL VAL VAL A A 8  8  . 3.336   18.760 32.960 1.00 51.94  1 . C  ? 
ATOM   128 H    H    . VAL VAL VAL A A 8  8  . 5.605   18.748 31.013 1.00 48.52  1 . H  ? 
ATOM   129 HA   HA   . VAL VAL VAL A A 8  8  . 6.574   19.136 33.522 1.00 41.41  1 . H  ? 
ATOM   130 HB   HB   . VAL VAL VAL A A 8  8  . 4.543   19.510 34.422 1.00 52.53  1 . H  ? 
ATOM   131 HG11 HG11 . VAL VAL VAL A A 8  8  . 3.785   21.414 33.429 1.00 56.00  1 . H  ? 
ATOM   132 HG12 HG12 . VAL VAL VAL A A 8  8  . 5.359   21.386 33.212 1.00 56.00  1 . H  ? 
ATOM   133 HG13 HG13 . VAL VAL VAL A A 8  8  . 4.385   20.977 32.025 1.00 56.00  1 . H  ? 
ATOM   134 HG21 HG21 . VAL VAL VAL A A 8  8  . 2.559   19.337 33.031 1.00 62.40  1 . H  ? 
ATOM   135 HG22 HG22 . VAL VAL VAL A A 8  8  . 3.475   18.503 32.035 1.00 62.40  1 . H  ? 
ATOM   136 HG23 HG23 . VAL VAL VAL A A 8  8  . 3.212   17.969 33.508 1.00 62.40  1 . H  ? 
ATOM   137 N    N    . PHE PHE PHE A A 9  9  . 6.299   16.778 34.161 1.00 27.45  1 . N  ? 
ATOM   138 CA   CA   . PHE PHE PHE A A 9  9  . 6.391   15.342 34.356 1.00 28.54  1 . C  ? 
ATOM   139 C    C    . PHE PHE PHE A A 9  9  . 5.710   14.938 35.651 1.00 33.60  1 . C  ? 
ATOM   140 O    O    . PHE PHE PHE A A 9  9  . 5.866   15.602 36.681 1.00 41.41  1 . O  ? 
ATOM   141 CB   CB   . PHE PHE PHE A A 9  9  . 7.845   14.892 34.377 1.00 29.95  1 . C  ? 
ATOM   142 CG   CG   . PHE PHE PHE A A 9  9  . 8.557   15.128 33.086 1.00 41.96  1 . C  ? 
ATOM   143 CD1  CD1  . PHE PHE PHE A A 9  9  . 9.102   16.366 32.799 1.00 40.08  1 . C  ? 
ATOM   144 CD2  CD2  . PHE PHE PHE A A 9  9  . 8.657   14.122 32.145 1.00 34.41  1 . C  ? 
ATOM   145 CE1  CE1  . PHE PHE PHE A A 9  9  . 9.749   16.589 31.599 1.00 47.74  1 . C  ? 
ATOM   146 CE2  CE2  . PHE PHE PHE A A 9  9  . 9.304   14.339 30.947 1.00 42.42  1 . C  ? 
ATOM   147 CZ   CZ   . PHE PHE PHE A A 9  9  . 9.850   15.575 30.675 1.00 46.19  1 . C  ? 
ATOM   148 H    H    . PHE PHE PHE A A 9  9  . 6.643   17.235 34.803 1.00 33.01  1 . H  ? 
ATOM   149 HA   HA   . PHE PHE PHE A A 9  9  . 5.933   14.891 33.629 1.00 34.31  1 . H  ? 
ATOM   150 HB2  HB2  . PHE PHE PHE A A 9  9  . 8.314   15.382 35.070 1.00 36.00  1 . H  ? 
ATOM   151 HB3  HB3  . PHE PHE PHE A A 9  9  . 7.876   13.941 34.564 1.00 36.00  1 . H  ? 
ATOM   152 HD1  HD1  . PHE PHE PHE A A 9  9  . 9.033   17.055 33.420 1.00 48.17  1 . H  ? 
ATOM   153 HD2  HD2  . PHE PHE PHE A A 9  9  . 8.283   13.289 32.321 1.00 41.36  1 . H  ? 
ATOM   154 HE1  HE1  . PHE PHE PHE A A 9  9  . 10.115  17.424 31.416 1.00 57.35  1 . H  ? 
ATOM   155 HE2  HE2  . PHE PHE PHE A A 9  9  . 9.372   13.652 30.324 1.00 50.98  1 . H  ? 
ATOM   156 HZ   HZ   . PHE PHE PHE A A 9  9  . 10.287  15.723 29.867 1.00 55.49  1 . H  ? 
ATOM   157 N    N    . PHE PHE PHE A A 10 10 . 4.958   13.849 35.586 1.00 33.78  1 . N  ? 
ATOM   158 CA   CA   . PHE PHE PHE A A 10 10 . 4.340   13.230 36.752 1.00 42.25  1 . C  ? 
ATOM   159 C    C    . PHE PHE PHE A A 10 10 . 5.012   11.875 36.942 1.00 47.93  1 . C  ? 
ATOM   160 O    O    . PHE PHE PHE A A 10 10 . 4.738   10.926 36.201 1.00 52.52  1 . O  ? 
ATOM   161 CB   CB   . PHE PHE PHE A A 10 10 . 2.833   13.094 36.562 1.00 42.49  1 . C  ? 
ATOM   162 CG   CG   . PHE PHE PHE A A 10 10 . 2.123   14.405 36.383 1.00 43.63  1 . C  ? 
ATOM   163 CD1  CD1  . PHE PHE PHE A A 10 10 . 2.176   15.074 35.174 1.00 51.22  1 . C  ? 
ATOM   164 CD2  CD2  . PHE PHE PHE A A 10 10 . 1.396   14.966 37.423 1.00 54.54  1 . C  ? 
ATOM   165 CE1  CE1  . PHE PHE PHE A A 10 10 . 1.524   16.281 35.003 1.00 59.30  1 . C  ? 
ATOM   166 CE2  CE2  . PHE PHE PHE A A 10 10 . 0.738   16.171 37.257 1.00 53.70  1 . C  ? 
ATOM   167 CZ   CZ   . PHE PHE PHE A A 10 10 . 0.807   16.830 36.043 1.00 46.47  1 . C  ? 
ATOM   168 H    H    . PHE PHE PHE A A 10 10 . 4.784   13.436 34.852 1.00 40.60  1 . H  ? 
ATOM   169 HA   HA   . PHE PHE PHE A A 10 10 . 4.494   13.773 37.541 1.00 50.76  1 . H  ? 
ATOM   170 HB2  HB2  . PHE PHE PHE A A 10 10 . 2.665   12.556 35.772 1.00 51.06  1 . H  ? 
ATOM   171 HB3  HB3  . PHE PHE PHE A A 10 10 . 2.458   12.659 37.345 1.00 51.06  1 . H  ? 
ATOM   172 HD1  HD1  . PHE PHE PHE A A 10 10 . 2.657   14.708 34.467 1.00 61.53  1 . H  ? 
ATOM   173 HD2  HD2  . PHE PHE PHE A A 10 10 . 1.351   14.527 38.242 1.00 65.52  1 . H  ? 
ATOM   174 HE1  HE1  . PHE PHE PHE A A 10 10 . 1.570   16.723 34.186 1.00 71.23  1 . H  ? 
ATOM   175 HE2  HE2  . PHE PHE PHE A A 10 10 . 0.250   16.536 37.959 1.00 64.50  1 . H  ? 
ATOM   176 HZ   HZ   . PHE PHE PHE A A 10 10 . 0.369   17.643 35.929 1.00 55.84  1 . H  ? 
ATOM   177 N    N    . ALA ALA ALA A A 11 11 . 5.910   11.792 37.920 1.00 53.80  1 . N  ? 
ATOM   178 CA   CA   . ALA ALA ALA A A 11 11 . 6.584   10.537 38.245 1.00 57.44  1 . C  ? 
ATOM   179 C    C    . ALA ALA ALA A A 11 11 . 5.620   9.682  39.057 1.00 72.77  1 . C  ? 
ATOM   180 O    O    . ALA ALA ALA A A 11 11 . 5.460   9.880  40.264 1.00 62.05  1 . O  ? 
ATOM   181 CB   CB   . ALA ALA ALA A A 11 11 . 7.878   10.805 39.004 1.00 67.32  1 . C  ? 
ATOM   182 H    H    . ALA ALA ALA A A 11 11 . 6.148   12.454 38.415 1.00 64.63  1 . H  ? 
ATOM   183 HA   HA   . ALA ALA ALA A A 11 11 . 6.808   10.061 37.430 1.00 69.00  1 . H  ? 
ATOM   184 HB1  HB1  . ALA ALA ALA A A 11 11 . 8.302   9.958  39.214 1.00 80.84  1 . H  ? 
ATOM   185 HB2  HB2  . ALA ALA ALA A A 11 11 . 8.466   11.340 38.448 1.00 80.84  1 . H  ? 
ATOM   186 HB3  HB3  . ALA ALA ALA A A 11 11 . 7.671   11.283 39.822 1.00 80.84  1 . H  ? 
ATOM   187 N    N    . GLU GLU GLU A A 12 12 . 4.976   8.721  38.397 1.00 75.12  1 . N  ? 
ATOM   188 CA   CA   . GLU GLU GLU A A 12 12 . 3.882   7.971  39.011 1.00 81.74  1 . C  ? 
ATOM   189 C    C    . GLU GLU GLU A A 12 12 . 4.156   6.470  39.172 1.00 90.91  1 . C  ? 
ATOM   190 O    O    . GLU GLU GLU A A 12 12 . 3.253   5.652  38.990 1.00 86.78  1 . O  ? 
ATOM   191 CB   CB   . GLU GLU GLU A A 12 12 . 2.599   8.175  38.191 1.00 78.17  1 . C  ? 
ATOM   192 CG   CG   . GLU GLU GLU A A 12 12 . 2.568   7.459  36.833 1.00 78.60  1 . C  ? 
ATOM   193 CD   CD   . GLU GLU GLU A A 12 12 . 1.193   6.917  36.484 1.00 79.57  1 . C  ? 
ATOM   194 OE1  OE1  . GLU GLU GLU A A 12 12 . 0.486   6.441  37.397 1.00 88.01  1 . O  ? 
ATOM   195 OE2  OE2  . GLU GLU GLU A A 12 12 . 0.821   6.961  35.293 1.00 79.03  1 . O  ? 
ATOM   196 H    H    . GLU GLU GLU A A 12 12 . 5.154   8.485  37.590 1.00 90.21  1 . H  ? 
ATOM   197 HA   HA   . GLU GLU GLU A A 12 12 . 3.767   8.314  39.911 1.00 98.16  1 . H  ? 
ATOM   198 HB2  HB2  . GLU GLU GLU A A 12 12 . 1.849   7.844  38.710 1.00 93.87  1 . H  ? 
ATOM   199 HB3  HB3  . GLU GLU GLU A A 12 12 . 2.492   9.124  38.021 1.00 93.87  1 . H  ? 
ATOM   200 HG2  HG2  . GLU GLU GLU A A 12 12 . 2.829   8.085  36.140 1.00 94.39  1 . H  ? 
ATOM   201 HG3  HG3  . GLU GLU GLU A A 12 12 . 3.188   6.713  36.856 1.00 94.39  1 . H  ? 
HETATM 202 C    C    . ORN ORN ORN A A 13 13 . 7.631   3.576  36.262 1.00 73.97  1 . C  ? 
HETATM 203 O    O    . ORN ORN ORN A A 13 13 . 8.192   2.981  35.339 1.00 80.86  1 . O  ? 
HETATM 204 CB   CB   . ORN ORN ORN A A 13 13 . 8.037   4.491  38.610 1.00 75.07  1 . C  ? 
HETATM 205 CG   CG   . ORN ORN ORN A A 13 13 . 7.253   4.442  39.929 1.00 85.50  1 . C  ? 
HETATM 206 CD   CD   . ORN ORN ORN A A 13 13 . 5.746   4.677  39.709 1.00 87.32  1 . C  ? 
HETATM 207 NE   NE   . ORN ORN ORN A A 13 13 . 5.430   6.089  39.534 1.00 92.14  1 . N  ? 
HETATM 208 CA   CA   . ORN ORN ORN A A 13 13 . 7.894   3.210  37.747 1.00 75.51  1 . C  ? 
HETATM 209 N    N    . ORN ORN ORN A A 13 13 . 9.114   2.372  37.858 1.00 71.63  1 . N  ? 
HETATM 210 H    H    . ORN ORN ORN A A 13 13 . 6.188   6.750  39.694 1.00 110.64 1 . H  ? 
HETATM 211 HA   HA   . ORN ORN ORN A A 13 13 . 7.059   2.593  38.090 1.00 90.68  1 . H  ? 
HETATM 212 HB2  HB2  . ORN ORN ORN A A 13 13 . 9.098   4.630  38.858 1.00 90.15  1 . H  ? 
HETATM 213 HB3  HB3  . ORN ORN ORN A A 13 13 . 7.662   5.347  38.031 1.00 90.15  1 . H  ? 
HETATM 214 HG2  HG2  . ORN ORN ORN A A 13 13 . 7.642   5.208  40.609 1.00 102.66 1 . H  ? 
HETATM 215 HG3  HG3  . ORN ORN ORN A A 13 13 . 7.401   3.464  40.400 1.00 102.66 1 . H  ? 
HETATM 216 HD2  HD2  . ORN ORN ORN A A 13 13 . 5.202   4.302  40.582 1.00 104.84 1 . H  ? 
HETATM 217 HD3  HD3  . ORN ORN ORN A A 13 13 . 5.434   4.134  38.812 1.00 104.84 1 . H  ? 
HETATM 218 HN1  HN1  . ORN ORN ORN A A 13 13 . 9.265   1.976  38.789 1.00 86.02  1 . H  ? 
HETATM 219 HN2  HN2  . ORN ORN ORN A A 13 13 . 9.122   1.564  37.230 1.00 86.02  1 . H  ? 
HETATM 220 HN3  HN3  . ORN ORN ORN A A 13 13 . 9.982   2.870  37.646 1.00 86.02  1 . H  ? 
ATOM   221 N    N    . ALA ALA ALA A A 14 14 . 6.735   4.593  36.052 1.00 64.63  1 . N  ? 
ATOM   222 CA   CA   . ALA ALA ALA A A 14 14 . 6.389   5.068  34.723 1.00 51.91  1 . C  ? 
ATOM   223 C    C    . ALA ALA ALA A A 14 14 . 6.175   6.571  34.811 1.00 54.81  1 . C  ? 
ATOM   224 O    O    . ALA ALA ALA A A 14 14 . 5.301   7.039  35.540 1.00 60.28  1 . O  ? 
ATOM   225 CB   CB   . ALA ALA ALA A A 14 14 . 5.152   4.368  34.199 1.00 64.23  1 . C  ? 
ATOM   226 H    H    . ALA ALA ALA A A 14 14 . 6.325   5.011  36.682 1.00 77.63  1 . H  ? 
ATOM   227 HA   HA   . ALA ALA ALA A A 14 14 . 7.096   4.869  34.089 1.00 62.36  1 . H  ? 
ATOM   228 HB1  HB1  . ALA ALA ALA A A 14 14 . 4.918   4.743  33.336 1.00 77.14  1 . H  ? 
ATOM   229 HB2  HB2  . ALA ALA ALA A A 14 14 . 5.339   3.421  34.109 1.00 77.14  1 . H  ? 
ATOM   230 HB3  HB3  . ALA ALA ALA A A 14 14 . 4.424   4.502  34.826 1.00 77.14  1 . H  ? 
ATOM   231 N    N    . ILE ILE ILE A A 15 15 . 6.988   7.322  34.077 1.00 52.19  1 . N  ? 
ATOM   232 CA   CA   . ILE ILE ILE A A 15 15 . 6.986   8.779  34.127 1.00 42.82  1 . C  ? 
ATOM   233 C    C    . ILE ILE ILE A A 15 15 . 6.120   9.298  32.987 1.00 52.12  1 . C  ? 
ATOM   234 O    O    . ILE ILE ILE A A 15 15 . 6.302   8.904  31.828 1.00 45.38  1 . O  ? 
ATOM   235 CB   CB   . ILE ILE ILE A A 15 15 . 8.418   9.332  34.040 1.00 47.61  1 . C  ? 
ATOM   236 CG1  CG1  . ILE ILE ILE A A 15 15 . 9.261   8.786  35.197 1.00 39.24  1 . C  ? 
ATOM   237 CG2  CG2  . ILE ILE ILE A A 15 15 . 8.409   10.859 34.025 1.00 40.45  1 . C  ? 
ATOM   238 CD1  CD1  . ILE ILE ILE A A 15 15 . 10.671  9.328  35.239 1.00 43.21  1 . C  ? 
ATOM   239 H    H    . ILE ILE ILE A A 15 15 . 7.567   7.002  33.528 1.00 62.70  1 . H  ? 
ATOM   240 HA   HA   . ILE ILE ILE A A 15 15 . 6.594   9.078  34.962 1.00 51.45  1 . H  ? 
ATOM   241 HB   HB   . ILE ILE ILE A A 15 15 . 8.818   9.035  33.208 1.00 57.20  1 . H  ? 
ATOM   242 HG12 HG12 . ILE ILE ILE A A 15 15 . 8.830   9.021  36.033 1.00 47.16  1 . H  ? 
ATOM   243 HG13 HG13 . ILE ILE ILE A A 15 15 . 9.317   7.822  35.112 1.00 47.16  1 . H  ? 
ATOM   244 HG21 HG21 . ILE ILE ILE A A 15 15 . 9.322   11.180 33.970 1.00 48.61  1 . H  ? 
ATOM   245 HG22 HG22 . ILE ILE ILE A A 15 15 . 7.904   11.164 33.255 1.00 48.61  1 . H  ? 
ATOM   246 HG23 HG23 . ILE ILE ILE A A 15 15 . 7.994   11.180 34.841 1.00 48.61  1 . H  ? 
ATOM   247 HD11 HD11 . ILE ILE ILE A A 15 15 . 11.204  8.777  35.833 1.00 51.92  1 . H  ? 
ATOM   248 HD12 HD12 . ILE ILE ILE A A 15 15 . 11.045  9.305  34.344 1.00 51.92  1 . H  ? 
ATOM   249 HD13 HD13 . ILE ILE ILE A A 15 15 . 10.649  10.241 35.565 1.00 51.92  1 . H  ? 
ATOM   250 N    N    . ILE ILE ILE A A 16 16 . 5.187   10.187 33.313 1.00 47.58  1 . N  ? 
ATOM   251 CA   CA   . ILE ILE ILE A A 16 16 . 4.215   10.676 32.343 1.00 45.78  1 . C  ? 
ATOM   252 C    C    . ILE ILE ILE A A 16 16 . 4.579   12.090 31.892 1.00 42.32  1 . C  ? 
ATOM   253 O    O    . ILE ILE ILE A A 16 16 . 4.470   13.027 32.683 1.00 37.97  1 . O  ? 
ATOM   254 CB   CB   . ILE ILE ILE A A 16 16 . 2.788   10.667 32.920 1.00 47.18  1 . C  ? 
ATOM   255 CG1  CG1  . ILE ILE ILE A A 16 16 . 2.448   9.302  33.537 1.00 52.64  1 . C  ? 
ATOM   256 CG2  CG2  . ILE ILE ILE A A 16 16 . 1.790   11.062 31.840 1.00 48.11  1 . C  ? 
ATOM   257 CD1  CD1  . ILE ILE ILE A A 16 16 . 1.819   8.325  32.578 1.00 54.82  1 . C  ? 
ATOM   258 H    H    . ILE ILE ILE A A 16 16 . 5.094   10.525 34.098 1.00 57.16  1 . H  ? 
ATOM   259 HA   HA   . ILE ILE ILE A A 16 16 . 4.238   10.084 31.575 1.00 55.01  1 . H  ? 
ATOM   260 HB   HB   . ILE ILE ILE A A 16 16 . 2.738   11.320 33.636 1.00 56.69  1 . H  ? 
ATOM   261 HG12 HG12 . ILE ILE ILE A A 16 16 . 3.265   8.901  33.871 1.00 63.24  1 . H  ? 
ATOM   262 HG13 HG13 . ILE ILE ILE A A 16 16 . 1.824   9.440  34.267 1.00 63.24  1 . H  ? 
ATOM   263 HG21 HG21 . ILE ILE ILE A A 16 16 . 0.890   10.922 32.175 1.00 57.80  1 . H  ? 
ATOM   264 HG22 HG22 . ILE ILE ILE A A 16 16 . 1.919   11.998 31.618 1.00 57.80  1 . H  ? 
ATOM   265 HG23 HG23 . ILE ILE ILE A A 16 16 . 1.940   10.512 31.055 1.00 57.80  1 . H  ? 
ATOM   266 HD11 HD11 . ILE ILE ILE A A 16 16 . 1.747   7.460  33.011 1.00 65.85  1 . H  ? 
ATOM   267 HD12 HD12 . ILE ILE ILE A A 16 16 . 0.937   8.646  32.332 1.00 65.85  1 . H  ? 
ATOM   268 HD13 HD13 . ILE ILE ILE A A 16 16 . 2.377   8.254  31.788 1.00 65.85  1 . H  ? 
HETATM 269 N    N    . SAR SAR SAR A A 17 17 . 5.005   12.252 30.638 1.00 37.10  1 . N  ? 
HETATM 270 CA   CA   . SAR SAR SAR A A 17 17 . 5.304   13.562 30.097 1.00 35.07  1 . C  ? 
HETATM 271 C    C    . SAR SAR SAR A A 17 17 . 4.213   14.161 29.559 1.00 47.48  1 . C  ? 
HETATM 272 O    O    . SAR SAR SAR A A 17 17 . 3.440   13.532 28.887 1.00 47.05  1 . O  ? 
HETATM 273 CN   CN   . SAR SAR SAR A A 17 17 . 5.406   11.194 29.731 1.00 48.27  1 . C  ? 
HETATM 274 HA2  HA2  . SAR SAR SAR A A 17 17 . 5.966   13.498 29.395 1.00 42.15  1 . H  ? 
HETATM 275 HA3  HA3  . SAR SAR SAR A A 17 17 . 5.636   14.149 30.790 1.00 42.15  1 . H  ? 
HETATM 276 HN1  HN1  . SAR SAR SAR A A 17 17 . 6.161   10.696 30.120 1.00 57.99  1 . H  ? 
HETATM 277 HN2  HN2  . SAR SAR SAR A A 17 17 . 5.680   11.585 28.870 1.00 57.99  1 . H  ? 
HETATM 278 HN3  HN3  . SAR SAR SAR A A 17 17 . 4.650   10.581 29.586 1.00 57.99  1 . H  ? 
ATOM   279 N    N    . LEU LEU LEU A A 18 18 . 4.053   15.453 29.833 1.00 36.21  1 . N  ? 
ATOM   280 CA   CA   . LEU LEU LEU A A 18 18 . 3.005   16.259 29.214 1.00 39.67  1 . C  ? 
ATOM   281 C    C    . LEU LEU LEU A A 18 18 . 3.572   17.612 28.819 1.00 42.58  1 . C  ? 
ATOM   282 O    O    . LEU LEU LEU A A 18 18 . 4.560   18.068 29.391 1.00 47.94  1 . O  ? 
ATOM   283 CB   CB   . LEU LEU LEU A A 18 18 . 1.817   16.459 30.159 1.00 44.22  1 . C  ? 
ATOM   284 CG   CG   . LEU LEU LEU A A 18 18 . 1.008   15.227 30.555 1.00 39.73  1 . C  ? 
ATOM   285 CD1  CD1  . LEU LEU LEU A A 18 18 . 0.023   15.590 31.650 1.00 51.04  1 . C  ? 
ATOM   286 CD2  CD2  . LEU LEU LEU A A 18 18 . 0.283   14.650 29.349 1.00 55.08  1 . C  ? 
ATOM   287 H    H    . LEU LEU LEU A A 18 18 . 4.547   15.893 30.382 1.00 43.52  1 . H  ? 
ATOM   288 HA   HA   . LEU LEU LEU A A 18 18 . 2.672   15.798 28.428 1.00 47.67  1 . H  ? 
ATOM   289 HB2  HB2  . LEU LEU LEU A A 18 18 . 2.156   16.847 30.981 1.00 53.12  1 . H  ? 
ATOM   290 HB3  HB3  . LEU LEU LEU A A 18 18 . 1.200   17.074 29.732 1.00 53.12  1 . H  ? 
ATOM   291 HG   HG   . LEU LEU LEU A A 18 18 . 1.606   14.542 30.893 1.00 47.74  1 . H  ? 
ATOM   292 HD11 HD11 . LEU LEU LEU A A 18 18 . -0.332  14.775 32.038 1.00 61.32  1 . H  ? 
ATOM   293 HD12 HD12 . LEU LEU LEU A A 18 18 . 0.483   16.107 32.329 1.00 61.32  1 . H  ? 
ATOM   294 HD13 HD13 . LEU LEU LEU A A 18 18 . -0.697  16.115 31.265 1.00 61.32  1 . H  ? 
ATOM   295 HD21 HD21 . LEU LEU LEU A A 18 18 . -0.260  13.899 29.636 1.00 66.16  1 . H  ? 
ATOM   296 HD22 HD22 . LEU LEU LEU A A 18 18 . -0.281  15.337 28.962 1.00 66.16  1 . H  ? 
ATOM   297 HD23 HD23 . LEU LEU LEU A A 18 18 . 0.939   14.355 28.698 1.00 66.16  1 . H  ? 
ATOM   298 N    N    . MET MET MET A A 19 19 . 2.942   18.254 27.843 1.00 35.25  1 . N  ? 
ATOM   299 CA   CA   . MET MET MET A A 19 19 . 3.322   19.589 27.411 1.00 36.18  1 . C  ? 
ATOM   300 C    C    . MET MET MET A A 19 19 . 2.170   20.540 27.700 1.00 30.75  1 . C  ? 
ATOM   301 O    O    . MET MET MET A A 19 19 . 1.002   20.194 27.498 1.00 36.49  1 . O  ? 
ATOM   302 CB   CB   . MET MET MET A A 19 19 . 3.688   19.609 25.919 1.00 38.18  1 . C  ? 
ATOM   303 CG   CG   . MET MET MET A A 19 19 . 3.811   21.002 25.314 1.00 48.56  1 . C  ? 
ATOM   304 SD   SD   . MET MET MET A A 19 19 . 4.457   20.963 23.631 1.00 88.68  1 . S  ? 
ATOM   305 CE   CE   . MET MET MET A A 19 19 . 2.951   20.709 22.694 1.00 91.21  1 . C  ? 
ATOM   306 H    H    . MET MET MET A A 19 19 . 2.276   17.928 27.407 1.00 42.37  1 . H  ? 
ATOM   307 HA   HA   . MET MET MET A A 19 19 . 4.107   19.887 27.897 1.00 43.48  1 . H  ? 
ATOM   308 HB2  HB2  . MET MET MET A A 19 19 . 4.542   19.164 25.805 1.00 45.88  1 . H  ? 
ATOM   309 HB3  HB3  . MET MET MET A A 19 19 . 2.999   19.136 25.426 1.00 45.88  1 . H  ? 
ATOM   310 HG2  HG2  . MET MET MET A A 19 19 . 2.934   21.417 25.291 1.00 58.34  1 . H  ? 
ATOM   311 HG3  HG3  . MET MET MET A A 19 19 . 4.415   21.532 25.857 1.00 58.34  1 . H  ? 
ATOM   312 HE1  HE1  . MET MET MET A A 19 19 . 3.171   20.660 21.751 1.00 109.52 1 . H  ? 
ATOM   313 HE2  HE2  . MET MET MET A A 19 19 . 2.536   19.880 22.981 1.00 109.52 1 . H  ? 
ATOM   314 HE3  HE3  . MET MET MET A A 19 19 . 2.349   21.453 22.855 1.00 109.52 1 . H  ? 
ATOM   315 N    N    . VAL VAL VAL A A 20 20 . 2.507   21.726 28.196 1.00 31.90  1 . N  ? 
ATOM   316 CA   CA   . VAL VAL VAL A A 20 20 . 1.528   22.734 28.585 1.00 34.25  1 . C  ? 
ATOM   317 C    C    . VAL VAL VAL A A 20 20 . 1.889   24.036 27.890 1.00 33.05  1 . C  ? 
ATOM   318 O    O    . VAL VAL VAL A A 20 20 . 3.004   24.540 28.054 1.00 37.88  1 . O  ? 
ATOM   319 CB   CB   . VAL VAL VAL A A 20 20 . 1.490   22.938 30.109 1.00 29.72  1 . C  ? 
ATOM   320 CG1  CG1  . VAL VAL VAL A A 20 20 . 0.387   23.913 30.480 1.00 34.73  1 . C  ? 
ATOM   321 CG2  CG2  . VAL VAL VAL A A 20 20 . 1.300   21.609 30.808 1.00 38.00  1 . C  ? 
ATOM   322 H    H    . VAL VAL VAL A A 20 20 . 3.320   21.977 28.320 1.00 38.35  1 . H  ? 
ATOM   323 HA   HA   . VAL VAL VAL A A 20 20 . 0.649   22.457 28.284 1.00 41.16  1 . H  ? 
ATOM   324 HB   HB   . VAL VAL VAL A A 20 20 . 2.333   23.314 30.407 1.00 35.73  1 . H  ? 
ATOM   325 HG11 HG11 . VAL VAL VAL A A 20 20 . 0.291   23.929 31.445 1.00 41.74  1 . H  ? 
ATOM   326 HG12 HG12 . VAL VAL VAL A A 20 20 . 0.625   24.796 30.156 1.00 41.74  1 . H  ? 
ATOM   327 HG13 HG13 . VAL VAL VAL A A 20 20 . -0.442  23.622 30.069 1.00 41.74  1 . H  ? 
ATOM   328 HG21 HG21 . VAL VAL VAL A A 20 20 . 1.171   21.767 31.756 1.00 45.67  1 . H  ? 
ATOM   329 HG22 HG22 . VAL VAL VAL A A 20 20 . 0.521   21.166 30.438 1.00 45.67  1 . H  ? 
ATOM   330 HG23 HG23 . VAL VAL VAL A A 20 20 . 2.089   21.063 30.667 1.00 45.67  1 . H  ? 
ATOM   331 N    N    . CYS CYS CYS A A 21 21 . 0.942   24.585 27.134 1.00 33.60  1 . N  ? 
ATOM   332 CA   CA   . CYS CYS CYS A A 21 21 . 1.175   25.760 26.307 1.00 33.55  1 . C  ? 
ATOM   333 C    C    . CYS CYS CYS A A 21 21 . 0.187   26.852 26.679 1.00 30.84  1 . C  ? 
ATOM   334 O    O    . CYS CYS CYS A A 21 21 . -1.023  26.611 26.733 1.00 36.89  1 . O  ? 
ATOM   335 CB   CB   . CYS CYS CYS A A 21 21 . 1.040   25.418 24.822 1.00 40.43  1 . C  ? 
ATOM   336 SG   SG   . CYS CYS CYS A A 21 21 . 2.242   24.213 24.249 1.00 56.01  1 . S  ? 
ATOM   337 H    H    . CYS CYS CYS A A 21 21 . 0.138   24.284 27.083 1.00 40.38  1 . H  ? 
ATOM   338 HA   HA   . CYS CYS CYS A A 21 21 . 2.071   26.093 26.472 1.00 40.32  1 . H  ? 
ATOM   339 HB2  HB2  . CYS CYS CYS A A 21 21 . 0.155   25.053 24.664 1.00 48.58  1 . H  ? 
ATOM   340 HB3  HB3  . CYS CYS CYS A A 21 21 . 1.161   26.228 24.302 1.00 48.58  1 . H  ? 
ATOM   341 N    N    . GLY GLY GLY A A 22 22 . 0.709   28.046 26.938 1.00 35.35  1 . N  ? 
ATOM   342 CA   CA   . GLY GLY GLY A A 22 22 . -0.114  29.224 27.116 1.00 53.05  1 . C  ? 
ATOM   343 C    C    . GLY GLY GLY A A 22 22 . 0.271   30.278 26.099 1.00 51.52  1 . C  ? 
ATOM   344 O    O    . GLY GLY GLY A A 22 22 . 1.386   30.246 25.570 1.00 54.23  1 . O  ? 
ATOM   345 H    H    . GLY GLY GLY A A 22 22 . 1.552   28.197 27.016 1.00 42.49  1 . H  ? 
ATOM   346 HA2  HA2  . GLY GLY GLY A A 22 22 . -1.049  28.996 26.997 1.00 63.73  1 . H  ? 
ATOM   347 HA3  HA3  . GLY GLY GLY A A 22 22 . 0.013   29.584 28.008 1.00 63.73  1 . H  ? 
ATOM   348 N    N    . VAL VAL VAL A A 23 23 . -0.629  31.212 25.815 1.00 56.36  1 . N  ? 
ATOM   349 CA   CA   . VAL VAL VAL A A 23 23 . -0.393  32.190 24.759 1.00 59.80  1 . C  ? 
ATOM   350 C    C    . VAL VAL VAL A A 23 23 . -0.257  33.599 25.336 1.00 65.58  1 . C  ? 
ATOM   351 O    O    . VAL VAL VAL A A 23 23 . -1.108  34.050 26.100 1.00 69.58  1 . O  ? 
ATOM   352 CB   CB   . VAL VAL VAL A A 23 23 . -1.518  32.135 23.706 1.00 56.32  1 . C  ? 
ATOM   353 CG1  CG1  . VAL VAL VAL A A 23 23 . -2.852  32.560 24.314 1.00 63.96  1 . C  ? 
ATOM   354 CG2  CG2  . VAL VAL VAL A A 23 23 . -1.167  32.998 22.505 1.00 64.70  1 . C  ? 
ATOM   355 H    H    . VAL VAL VAL A A 23 23 . -1.384  31.301 26.218 1.00 67.69  1 . H  ? 
ATOM   356 HA   HA   . VAL VAL VAL A A 23 23 . 0.445   31.974 24.321 1.00 71.82  1 . H  ? 
ATOM   357 HB   HB   . VAL VAL VAL A A 23 23 . -1.613  31.219 23.400 1.00 67.66  1 . H  ? 
ATOM   358 HG11 HG11 . VAL VAL VAL A A 23 23 . -3.569  32.308 23.711 1.00 76.81  1 . H  ? 
ATOM   359 HG12 HG12 . VAL VAL VAL A A 23 23 . -2.967  32.115 25.168 1.00 76.81  1 . H  ? 
ATOM   360 HG13 HG13 . VAL VAL VAL A A 23 23 . -2.850  33.522 24.440 1.00 76.81  1 . H  ? 
ATOM   361 HG21 HG21 . VAL VAL VAL A A 23 23 . -1.803  32.823 21.794 1.00 77.71  1 . H  ? 
ATOM   362 HG22 HG22 . VAL VAL VAL A A 23 23 . -1.209  33.932 22.765 1.00 77.71  1 . H  ? 
ATOM   363 HG23 HG23 . VAL VAL VAL A A 23 23 . -0.270  32.777 22.209 1.00 77.71  1 . H  ? 
ATOM   364 N    N    . VAL VAL VAL A A 24 24 . 0.813   34.291 24.962 1.00 66.93  1 . N  ? 
ATOM   365 CA   CA   . VAL VAL VAL A A 24 24 . 1.347   35.622 25.229 1.00 63.31  1 . C  ? 
ATOM   366 C    C    . VAL VAL VAL A A 24 24 . 1.340   36.445 23.945 1.00 73.71  1 . C  ? 
ATOM   367 O    O    . VAL VAL VAL A A 24 24 . 2.361   36.554 23.265 1.00 65.88  1 . O  ? 
ATOM   368 CB   CB   . VAL VAL VAL A A 24 24 . 2.769   35.558 25.815 1.00 64.15  1 . C  ? 
ATOM   369 CG1  CG1  . VAL VAL VAL A A 24 24 . 3.216   36.940 26.270 1.00 57.33  1 . C  ? 
ATOM   370 CG2  CG2  . VAL VAL VAL A A 24 24 . 2.831   34.573 26.970 1.00 59.02  1 . C  ? 
ATOM   371 H    H    . VAL VAL VAL A A 24 24 . 1.301   33.821 24.423 1.00 80.39  1 . H  ? 
ATOM   372 HA   HA   . VAL VAL VAL A A 24 24 . 0.781   36.056 25.887 1.00 76.04  1 . H  ? 
ATOM   373 HB   HB   . VAL VAL VAL A A 24 24 . 3.377   35.249 25.126 1.00 77.04  1 . H  ? 
ATOM   374 HG11 HG11 . VAL VAL VAL A A 24 24 . 4.071   36.863 26.721 1.00 68.87  1 . H  ? 
ATOM   375 HG12 HG12 . VAL VAL VAL A A 24 24 . 3.303   37.515 25.493 1.00 68.87  1 . H  ? 
ATOM   376 HG13 HG13 . VAL VAL VAL A A 24 24 . 2.552   37.303 26.878 1.00 68.87  1 . H  ? 
ATOM   377 HG21 HG21 . VAL VAL VAL A A 24 24 . 3.683   34.670 27.422 1.00 70.89  1 . H  ? 
ATOM   378 HG22 HG22 . VAL VAL VAL A A 24 24 . 2.106   34.762 27.586 1.00 70.89  1 . H  ? 
ATOM   379 HG23 HG23 . VAL VAL VAL A A 24 24 . 2.742   33.672 26.621 1.00 70.89  1 . H  ? 
HETATM 380 C    C    . ORN ORN ORN B B 1  1  . 0.621   8.519  17.726 1.00 85.76  1 . C  ? 
HETATM 381 O    O    . ORN ORN ORN B B 1  1  . 1.168   9.362  17.001 1.00 83.18  1 . O  ? 
HETATM 382 CB   CB   . ORN ORN ORN B B 1  1  . 2.069   6.849  19.153 1.00 93.04  1 . C  ? 
HETATM 383 CG   CG   . ORN ORN ORN B B 1  1  . 1.492   7.393  20.441 1.00 89.71  1 . C  ? 
HETATM 384 CD   CD   . ORN ORN ORN B B 1  1  . 0.483   6.497  21.178 1.00 87.72  1 . C  ? 
HETATM 385 NE   NE   . ORN ORN ORN B B 1  1  . -0.025  7.269  22.290 1.00 95.41  1 . N  ? 
HETATM 386 CA   CA   . ORN ORN ORN B B 1  1  . 1.242   7.066  17.882 1.00 95.46  1 . C  ? 
HETATM 387 N    N    . ORN ORN ORN B B 1  1  . 2.108   6.837  16.691 1.00 98.16  1 . N  ? 
HETATM 388 H    H    . ORN ORN ORN B B 1  1  . 0.635   7.420  23.048 1.00 114.56 1 . H  ? 
HETATM 389 HA   HA   . ORN ORN ORN B B 1  1  . 0.398   6.370  17.903 1.00 114.62 1 . H  ? 
HETATM 390 HB2  HB2  . ORN ORN ORN B B 1  1  . 2.197   5.766  19.293 1.00 111.71 1 . H  ? 
HETATM 391 HB3  HB3  . ORN ORN ORN B B 1  1  . 3.044   7.335  19.009 1.00 111.71 1 . H  ? 
HETATM 392 HG2  HG2  . ORN ORN ORN B B 1  1  . 0.997   8.344  20.213 1.00 107.72 1 . H  ? 
HETATM 393 HG3  HG3  . ORN ORN ORN B B 1  1  . 2.324   7.599  21.124 1.00 107.72 1 . H  ? 
HETATM 394 HD2  HD2  . ORN ORN ORN B B 1  1  . 0.982   5.595  21.546 1.00 105.34 1 . H  ? 
HETATM 395 HD3  HD3  . ORN ORN ORN B B 1  1  . -0.337  6.225  20.507 1.00 105.34 1 . H  ? 
HETATM 396 HN1  HN1  . ORN ORN ORN B B 1  1  . 2.510   5.898  16.643 1.00 117.86 1 . H  ? 
HETATM 397 HN2  HN2  . ORN ORN ORN B B 1  1  . 2.913   7.466  16.635 1.00 117.86 1 . H  ? 
HETATM 398 HN3  HN3  . ORN ORN ORN B B 1  1  . 1.625   6.957  15.797 1.00 117.86 1 . H  ? 
ATOM   399 N    N    . VAL VAL VAL B B 2  2  . -0.567  8.770  18.384 1.00 80.96  1 . N  ? 
ATOM   400 CA   CA   . VAL VAL VAL B B 2  2  . -1.271  10.055 18.256 1.00 74.75  1 . C  ? 
ATOM   401 C    C    . VAL VAL VAL B B 2  2  . -1.130  11.046 19.408 1.00 66.82  1 . C  ? 
ATOM   402 O    O    . VAL VAL VAL B B 2  2  . -0.982  10.668 20.572 1.00 70.37  1 . O  ? 
ATOM   403 CB   CB   . VAL VAL VAL B B 2  2  . -2.763  9.770  17.993 1.00 75.87  1 . C  ? 
ATOM   404 CG1  CG1  . VAL VAL VAL B B 2  2  . -3.483  9.306  19.254 1.00 72.26  1 . C  ? 
ATOM   405 CG2  CG2  . VAL VAL VAL B B 2  2  . -3.446  10.974 17.407 1.00 67.35  1 . C  ? 
ATOM   406 H    H    . VAL VAL VAL B B 2  2  . -0.963  8.206  18.899 1.00 97.21  1 . H  ? 
ATOM   407 HA   HA   . VAL VAL VAL B B 2  2  . -0.837  10.515 17.521 1.00 89.77  1 . H  ? 
ATOM   408 HB   HB   . VAL VAL VAL B B 2  2  . -2.814  9.048  17.348 1.00 91.11  1 . H  ? 
ATOM   409 HG11 HG11 . VAL VAL VAL B B 2  2  . -4.418  9.157  19.047 1.00 86.78  1 . H  ? 
ATOM   410 HG12 HG12 . VAL VAL VAL B B 2  2  . -3.077  8.481  19.563 1.00 86.78  1 . H  ? 
ATOM   411 HG13 HG13 . VAL VAL VAL B B 2  2  . -3.400  9.992  19.935 1.00 86.78  1 . H  ? 
ATOM   412 HG21 HG21 . VAL VAL VAL B B 2  2  . -4.397  10.795 17.338 1.00 80.88  1 . H  ? 
ATOM   413 HG22 HG22 . VAL VAL VAL B B 2  2  . -3.294  11.737 17.987 1.00 80.88  1 . H  ? 
ATOM   414 HG23 HG23 . VAL VAL VAL B B 2  2  . -3.078  11.149 16.527 1.00 80.88  1 . H  ? 
ATOM   415 N    N    . HIS HIS HIS B B 3  3  . -1.158  12.329 19.035 1.00 53.46  1 . N  ? 
ATOM   416 CA   CA   . HIS HIS HIS B B 3  3  . -1.152  13.440 19.977 1.00 57.30  1 . C  ? 
ATOM   417 C    C    . HIS HIS HIS B B 3  3  . -2.580  13.803 20.356 1.00 46.70  1 . C  ? 
ATOM   418 O    O    . HIS HIS HIS B B 3  3  . -3.437  13.966 19.480 1.00 37.46  1 . O  ? 
ATOM   419 CB   CB   . HIS HIS HIS B B 3  3  . -0.469  14.671 19.377 1.00 57.63  1 . C  ? 
ATOM   420 CG   CG   . HIS HIS HIS B B 3  3  . 1.025   14.580 19.311 1.00 70.83  1 . C  ? 
ATOM   421 ND1  ND1  . HIS HIS HIS B B 3  3  . 1.685   13.755 18.427 1.00 73.04  1 . N  ? 
ATOM   422 CD2  CD2  . HIS HIS HIS B B 3  3  . 1.985   15.235 20.005 1.00 85.20  1 . C  ? 
ATOM   423 CE1  CE1  . HIS HIS HIS B B 3  3  . 2.989   13.895 18.588 1.00 75.72  1 . C  ? 
ATOM   424 NE2  NE2  . HIS HIS HIS B B 3  3  . 3.199   14.786 19.539 1.00 78.52  1 . N  ? 
ATOM   425 H    H    . HIS HIS HIS B B 3  3  . -1.182  12.585 18.214 1.00 64.21  1 . H  ? 
ATOM   426 HA   HA   . HIS HIS HIS B B 3  3  . -0.665  13.169 20.771 1.00 68.82  1 . H  ? 
ATOM   427 HB2  HB2  . HIS HIS HIS B B 3  3  . -0.795  14.795 18.472 1.00 69.23  1 . H  ? 
ATOM   428 HB3  HB3  . HIS HIS HIS B B 3  3  . -0.692  15.444 19.919 1.00 69.23  1 . H  ? 
ATOM   429 HD2  HD2  . HIS HIS HIS B B 3  3  . 1.850   15.870 20.671 1.00 102.31 1 . H  ? 
ATOM   430 HE1  HE1  . HIS HIS HIS B B 3  3  . 3.648   13.443 18.113 1.00 90.93  1 . H  ? 
ATOM   431 HE2  HE2  . HIS HIS HIS B B 3  3  . 3.969   15.044 19.822 1.00 94.29  1 . H  ? 
ATOM   432 N    N    . HIS HIS HIS B B 4  4  . -2.825  13.945 21.656 1.00 38.26  1 . N  ? 
ATOM   433 CA   CA   . HIS HIS HIS B B 4  4  . -4.091  14.437 22.181 1.00 35.80  1 . C  ? 
ATOM   434 C    C    . HIS HIS HIS B B 4  4  . -3.845  15.725 22.953 1.00 44.02  1 . C  ? 
ATOM   435 O    O    . HIS HIS HIS B B 4  4  . -2.879  15.824 23.716 1.00 48.74  1 . O  ? 
ATOM   436 CB   CB   . HIS HIS HIS B B 4  4  . -4.758  13.408 23.098 1.00 59.40  1 . C  ? 
ATOM   437 CG   CG   . HIS HIS HIS B B 4  4  . -5.566  12.381 22.368 1.00 63.07  1 . C  ? 
ATOM   438 ND1  ND1  . HIS HIS HIS B B 4  4  . -4.993  11.355 21.648 1.00 67.06  1 . N  ? 
ATOM   439 CD2  CD2  . HIS HIS HIS B B 4  4  . -6.906  12.222 22.247 1.00 67.83  1 . C  ? 
ATOM   440 CE1  CE1  . HIS HIS HIS B B 4  4  . -5.944  10.608 21.116 1.00 66.72  1 . C  ? 
ATOM   441 NE2  NE2  . HIS HIS HIS B B 4  4  . -7.114  11.113 21.464 1.00 75.67  1 . N  ? 
ATOM   442 H    H    . HIS HIS HIS B B 4  4  . -2.255  13.755 22.271 1.00 45.98  1 . H  ? 
ATOM   443 HA   HA   . HIS HIS HIS B B 4  4  . -4.695  14.622 21.445 1.00 43.02  1 . H  ? 
ATOM   444 HB2  HB2  . HIS HIS HIS B B 4  4  . -4.069  12.942 23.597 1.00 71.34  1 . H  ? 
ATOM   445 HB3  HB3  . HIS HIS HIS B B 4  4  . -5.352  13.873 23.708 1.00 71.34  1 . H  ? 
ATOM   446 HD2  HD2  . HIS HIS HIS B B 4  4  . -7.562  12.763 22.624 1.00 81.46  1 . H  ? 
ATOM   447 HE1  HE1  . HIS HIS HIS B B 4  4  . -5.813  9.855  20.586 1.00 80.13  1 . H  ? 
ATOM   448 HE2  HE2  . HIS HIS HIS B B 4  4  . -7.882  10.799 21.237 1.00 90.88  1 . H  ? 
ATOM   449 N    N    . CYS CYS CYS B B 5  5  . -4.729  16.701 22.763 1.00 35.22  1 . N  ? 
ATOM   450 CA   CA   . CYS CYS CYS B B 5  5  . -4.656  17.980 23.450 1.00 39.93  1 . C  ? 
ATOM   451 C    C    . CYS CYS CYS B B 5  5  . -6.010  18.289 24.075 1.00 45.15  1 . C  ? 
ATOM   452 O    O    . CYS CYS CYS B B 5  5  . -7.038  17.734 23.680 1.00 45.52  1 . O  ? 
ATOM   453 CB   CB   . CYS CYS CYS B B 5  5  . -4.251  19.110 22.493 1.00 37.12  1 . C  ? 
ATOM   454 SG   SG   . CYS CYS CYS B B 5  5  . -2.566  19.006 21.825 1.00 48.17  1 . S  ? 
ATOM   455 H    H    . CYS CYS CYS B B 5  5  . -5.398  16.641 22.226 1.00 42.34  1 . H  ? 
ATOM   456 HA   HA   . CYS CYS CYS B B 5  5  . -3.994  17.932 24.158 1.00 47.98  1 . H  ? 
ATOM   457 HB2  HB2  . CYS CYS CYS B B 5  5  . -4.861  19.103 21.739 1.00 44.61  1 . H  ? 
ATOM   458 HB3  HB3  . CYS CYS CYS B B 5  5  . -4.322  19.952 22.969 1.00 44.61  1 . H  ? 
ATOM   459 N    N    . LYS LYS LYS B B 6  6  . -6.008  19.181 25.063 1.00 42.95  1 . N  ? 
ATOM   460 CA   CA   . LYS LYS LYS B B 6  6  . -7.262  19.634 25.649 1.00 34.50  1 . C  ? 
ATOM   461 C    C    . LYS LYS LYS B B 6  6  . -7.028  20.946 26.381 1.00 37.34  1 . C  ? 
ATOM   462 O    O    . LYS LYS LYS B B 6  6  . -5.923  21.226 26.854 1.00 34.46  1 . O  ? 
ATOM   463 CB   CB   . LYS LYS LYS B B 6  6  . -7.862  18.578 26.589 1.00 41.61  1 . C  ? 
ATOM   464 CG   CG   . LYS LYS LYS B B 6  6  . -7.513  18.714 28.067 1.00 60.93  1 . C  ? 
ATOM   465 CD   CD   . LYS LYS LYS B B 6  6  . -8.347  17.748 28.908 1.00 66.24  1 . C  ? 
ATOM   466 CE   CE   . LYS LYS LYS B B 6  6  . -7.593  17.244 30.132 1.00 80.41  1 . C  ? 
ATOM   467 NZ   NZ   . LYS LYS LYS B B 6  6  . -7.892  15.811 30.412 1.00 83.61  1 . N  ? 
ATOM   468 H    H    . LYS LYS LYS B B 6  6  . -5.302  19.533 25.406 1.00 51.61  1 . H  ? 
ATOM   469 HA   HA   . LYS LYS LYS B B 6  6  . -7.903  19.803 24.941 1.00 41.47  1 . H  ? 
ATOM   470 HB2  HB2  . LYS LYS LYS B B 6  6  . -8.829  18.625 26.519 1.00 49.99  1 . H  ? 
ATOM   471 HB3  HB3  . LYS LYS LYS B B 6  6  . -7.551  17.705 26.301 1.00 49.99  1 . H  ? 
ATOM   472 HG2  HG2  . LYS LYS LYS B B 6  6  . -6.575  18.506 28.199 1.00 73.18  1 . H  ? 
ATOM   473 HG3  HG3  . LYS LYS LYS B B 6  6  . -7.697  19.619 28.362 1.00 73.18  1 . H  ? 
ATOM   474 HD2  HD2  . LYS LYS LYS B B 6  6  . -9.147  18.204 29.214 1.00 79.56  1 . H  ? 
ATOM   475 HD3  HD3  . LYS LYS LYS B B 6  6  . -8.589  16.981 28.366 1.00 79.56  1 . H  ? 
ATOM   476 HE2  HE2  . LYS LYS LYS B B 6  6  . -6.639  17.331 29.979 1.00 96.56  1 . H  ? 
ATOM   477 HE3  HE3  . LYS LYS LYS B B 6  6  . -7.853  17.766 30.907 1.00 96.56  1 . H  ? 
ATOM   478 HZ1  HZ1  . LYS LYS LYS B B 6  6  . -7.446  15.542 31.134 1.00 100.39 1 . H  ? 
ATOM   479 HZ2  HZ2  . LYS LYS LYS B B 6  6  . -8.764  15.704 30.555 1.00 100.39 1 . H  ? 
ATOM   480 HZ3  HZ3  . LYS LYS LYS B B 6  6  . -7.649  15.308 29.719 1.00 100.39 1 . H  ? 
ATOM   481 N    N    . LEU LEU LEU B B 7  7  . -8.086  21.748 26.453 1.00 32.95  1 . N  ? 
ATOM   482 CA   CA   . LEU LEU LEU B B 7  7  . -8.037  23.023 27.150 1.00 40.23  1 . C  ? 
ATOM   483 C    C    . LEU LEU LEU B B 7  7  . -8.251  22.805 28.642 1.00 34.58  1 . C  ? 
ATOM   484 O    O    . LEU LEU LEU B B 7  7  . -9.165  22.081 29.048 1.00 40.09  1 . O  ? 
ATOM   485 CB   CB   . LEU LEU LEU B B 7  7  . -9.102  23.967 26.598 1.00 47.33  1 . C  ? 
ATOM   486 CG   CG   . LEU LEU LEU B B 7  7  . -8.590  25.129 25.750 1.00 50.74  1 . C  ? 
ATOM   487 CD1  CD1  . LEU LEU LEU B B 7  7  . -7.797  24.611 24.563 1.00 53.55  1 . C  ? 
ATOM   488 CD2  CD2  . LEU LEU LEU B B 7  7  . -9.757  25.989 25.285 1.00 46.19  1 . C  ? 
ATOM   489 H    H    . LEU LEU LEU B B 7  7  . -8.851  21.573 26.103 1.00 39.61  1 . H  ? 
ATOM   490 HA   HA   . LEU LEU LEU B B 7  7  . -7.168  23.433 27.020 1.00 48.35  1 . H  ? 
ATOM   491 HB2  HB2  . LEU LEU LEU B B 7  7  . -9.706  23.450 26.042 1.00 56.86  1 . H  ? 
ATOM   492 HB3  HB3  . LEU LEU LEU B B 7  7  . -9.586  24.349 27.347 1.00 56.86  1 . H  ? 
ATOM   493 HG   HG   . LEU LEU LEU B B 7  7  . -7.998  25.682 26.283 1.00 60.96  1 . H  ? 
ATOM   494 HD11 HD11 . LEU LEU LEU B B 7  7  . -7.541  25.360 24.003 1.00 64.32  1 . H  ? 
ATOM   495 HD12 HD12 . LEU LEU LEU B B 7  7  . -7.005  24.155 24.888 1.00 64.32  1 . H  ? 
ATOM   496 HD13 HD13 . LEU LEU LEU B B 7  7  . -8.350  23.994 24.058 1.00 64.32  1 . H  ? 
ATOM   497 HD21 HD21 . LEU LEU LEU B B 7  7  . -9.416  26.717 24.742 1.00 55.49  1 . H  ? 
ATOM   498 HD22 HD22 . LEU LEU LEU B B 7  7  . -10.364 25.443 24.762 1.00 55.49  1 . H  ? 
ATOM   499 HD23 HD23 . LEU LEU LEU B B 7  7  . -10.217 26.344 26.062 1.00 55.49  1 . H  ? 
ATOM   500 N    N    . VAL VAL VAL B B 8  8  . -7.402  23.422 29.456 1.00 36.51  1 . N  ? 
ATOM   501 CA   CA   . VAL VAL VAL B B 8  8  . -7.548  23.419 30.906 1.00 35.21  1 . C  ? 
ATOM   502 C    C    . VAL VAL VAL B B 8  8  . -7.499  24.862 31.377 1.00 41.08  1 . C  ? 
ATOM   503 O    O    . VAL VAL VAL B B 8  8  . -6.700  25.661 30.873 1.00 44.21  1 . O  ? 
ATOM   504 CB   CB   . VAL VAL VAL B B 8  8  . -6.457  22.575 31.595 1.00 33.31  1 . C  ? 
ATOM   505 CG1  CG1  . VAL VAL VAL B B 8  8  . -6.642  22.595 33.107 1.00 51.62  1 . C  ? 
ATOM   506 CG2  CG2  . VAL VAL VAL B B 8  8  . -6.493  21.145 31.080 1.00 38.13  1 . C  ? 
ATOM   507 H    H    . VAL VAL VAL B B 8  8  . -6.714  23.861 29.183 1.00 43.88  1 . H  ? 
ATOM   508 HA   HA   . VAL VAL VAL B B 8  8  . -8.407  23.040 31.148 1.00 42.32  1 . H  ? 
ATOM   509 HB   HB   . VAL VAL VAL B B 8  8  . -5.589  22.955 31.389 1.00 40.04  1 . H  ? 
ATOM   510 HG11 HG11 . VAL VAL VAL B B 8  8  . -5.974  22.022 33.514 1.00 62.01  1 . H  ? 
ATOM   511 HG12 HG12 . VAL VAL VAL B B 8  8  . -6.537  23.505 33.426 1.00 62.01  1 . H  ? 
ATOM   512 HG13 HG13 . VAL VAL VAL B B 8  8  . -7.531  22.270 33.320 1.00 62.01  1 . H  ? 
ATOM   513 HG21 HG21 . VAL VAL VAL B B 8  8  . -5.817  20.625 31.542 1.00 45.82  1 . H  ? 
ATOM   514 HG22 HG22 . VAL VAL VAL B B 8  8  . -7.371  20.770 31.249 1.00 45.82  1 . H  ? 
ATOM   515 HG23 HG23 . VAL VAL VAL B B 8  8  . -6.312  21.148 30.127 1.00 45.82  1 . H  ? 
ATOM   516 N    N    . PHE PHE PHE B B 9  9  . -8.352  25.201 32.338 1.00 37.33  1 . N  ? 
ATOM   517 CA   CA   . PHE PHE PHE B B 9  9  . -8.553  26.579 32.757 1.00 41.68  1 . C  ? 
ATOM   518 C    C    . PHE PHE PHE B B 9  9  . -8.093  26.777 34.193 1.00 42.69  1 . C  ? 
ATOM   519 O    O    . PHE PHE PHE B B 9  9  . -8.365  25.945 35.064 1.00 44.68  1 . O  ? 
ATOM   520 CB   CB   . PHE PHE PHE B B 9  9  . -10.022 26.966 32.610 1.00 40.50  1 . C  ? 
ATOM   521 CG   CG   . PHE PHE PHE B B 9  9  . -10.483 26.992 31.187 1.00 42.56  1 . C  ? 
ATOM   522 CD1  CD1  . PHE PHE PHE B B 9  9  . -10.271 28.110 30.404 1.00 44.65  1 . C  ? 
ATOM   523 CD2  CD2  . PHE PHE PHE B B 9  9  . -11.098 25.889 30.623 1.00 43.50  1 . C  ? 
ATOM   524 CE1  CE1  . PHE PHE PHE B B 9  9  . -10.679 28.136 29.087 1.00 56.59  1 . C  ? 
ATOM   525 CE2  CE2  . PHE PHE PHE B B 9  9  . -11.511 25.909 29.305 1.00 51.31  1 . C  ? 
ATOM   526 CZ   CZ   . PHE PHE PHE B B 9  9  . -11.301 27.033 28.537 1.00 47.28  1 . C  ? 
ATOM   527 H    H    . PHE PHE PHE B B 9  9  . -8.835  24.636 32.770 1.00 44.86  1 . H  ? 
ATOM   528 HA   HA   . PHE PHE PHE B B 9  9  . -8.019  27.169 32.204 1.00 50.08  1 . H  ? 
ATOM   529 HB2  HB2  . PHE PHE PHE B B 9  9  . -10.566 26.321 33.088 1.00 48.66  1 . H  ? 
ATOM   530 HB3  HB3  . PHE PHE PHE B B 9  9  . -10.153 27.852 32.982 1.00 48.66  1 . H  ? 
ATOM   531 HD1  HD1  . PHE PHE PHE B B 9  9  . -9.849  28.854 30.768 1.00 53.65  1 . H  ? 
ATOM   532 HD2  HD2  . PHE PHE PHE B B 9  9  . -11.236 25.127 31.137 1.00 52.27  1 . H  ? 
ATOM   533 HE1  HE1  . PHE PHE PHE B B 9  9  . -10.537 28.896 28.570 1.00 67.97  1 . H  ? 
ATOM   534 HE2  HE2  . PHE PHE PHE B B 9  9  . -11.929 25.165 28.937 1.00 61.64  1 . H  ? 
ATOM   535 HZ   HZ   . PHE PHE PHE B B 9  9  . -11.577 27.049 27.649 1.00 56.80  1 . H  ? 
ATOM   536 N    N    . PHE PHE PHE B B 10 10 . -7.398  27.890 34.429 1.00 40.99  1 . N  ? 
ATOM   537 CA   CA   . PHE PHE PHE B B 10 10 . -6.842  28.226 35.731 1.00 43.63  1 . C  ? 
ATOM   538 C    C    . PHE PHE PHE B B 10 10 . -7.299  29.618 36.138 1.00 41.94  1 . C  ? 
ATOM   539 O    O    . PHE PHE PHE B B 10 10 . -7.339  30.534 35.312 1.00 40.11  1 . O  ? 
ATOM   540 CB   CB   . PHE PHE PHE B B 10 10 . -5.311  28.159 35.704 1.00 35.60  1 . C  ? 
ATOM   541 CG   CG   . PHE PHE PHE B B 10 10 . -4.770  26.759 35.648 1.00 46.82  1 . C  ? 
ATOM   542 CD1  CD1  . PHE PHE PHE B B 10 10 . -4.762  26.052 34.460 1.00 50.75  1 . C  ? 
ATOM   543 CD2  CD2  . PHE PHE PHE B B 10 10 . -4.279  26.148 36.788 1.00 54.22  1 . C  ? 
ATOM   544 CE1  CE1  . PHE PHE PHE B B 10 10 . -4.269  24.761 34.409 1.00 57.83  1 . C  ? 
ATOM   545 CE2  CE2  . PHE PHE PHE B B 10 10 . -3.786  24.857 36.745 1.00 59.89  1 . C  ? 
ATOM   546 CZ   CZ   . PHE PHE PHE B B 10 10 . -3.781  24.163 35.555 1.00 49.79  1 . C  ? 
ATOM   547 H    H    . PHE PHE PHE B B 10 10 . -7.233  28.483 33.828 1.00 49.25  1 . H  ? 
ATOM   548 HA   HA   . PHE PHE PHE B B 10 10 . -7.164  27.599 36.398 1.00 52.42  1 . H  ? 
ATOM   549 HB2  HB2  . PHE PHE PHE B B 10 10 . -4.992  28.632 34.919 1.00 42.79  1 . H  ? 
ATOM   550 HB3  HB3  . PHE PHE PHE B B 10 10 . -4.966  28.579 36.507 1.00 42.79  1 . H  ? 
ATOM   551 HD1  HD1  . PHE PHE PHE B B 10 10 . -5.091  26.449 33.686 1.00 60.96  1 . H  ? 
ATOM   552 HD2  HD2  . PHE PHE PHE B B 10 10 . -4.279  26.613 37.594 1.00 65.13  1 . H  ? 
ATOM   553 HE1  HE1  . PHE PHE PHE B B 10 10 . -4.265  24.296 33.604 1.00 69.46  1 . H  ? 
ATOM   554 HE2  HE2  . PHE PHE PHE B B 10 10 . -3.459  24.458 37.519 1.00 71.94  1 . H  ? 
ATOM   555 HZ   HZ   . PHE PHE PHE B B 10 10 . -3.451  23.295 35.523 1.00 59.81  1 . H  ? 
ATOM   556 N    N    . ALA ALA ALA B B 11 11 . -7.645  29.771 37.414 1.00 37.33  1 . N  ? 
ATOM   557 CA   CA   . ALA ALA ALA B B 11 11 . -8.102  31.048 37.950 1.00 49.20  1 . C  ? 
ATOM   558 C    C    . ALA ALA ALA B B 11 11 . -6.921  31.785 38.571 1.00 68.50  1 . C  ? 
ATOM   559 O    O    . ALA ALA ALA B B 11 11 . -6.303  31.285 39.518 1.00 67.26  1 . O  ? 
ATOM   560 CB   CB   . ALA ALA ALA B B 11 11 . -9.207  30.827 38.981 1.00 54.90  1 . C  ? 
ATOM   561 H    H    . ALA ALA ALA B B 11 11 . -7.622  29.140 37.997 1.00 44.87  1 . H  ? 
ATOM   562 HA   HA   . ALA ALA ALA B B 11 11 . -8.459  31.594 37.232 1.00 59.10  1 . H  ? 
ATOM   563 HB1  HB1  . ALA ALA ALA B B 11 11 . -9.511  31.688 39.307 1.00 65.95  1 . H  ? 
ATOM   564 HB2  HB2  . ALA ALA ALA B B 11 11 . -9.942  30.354 38.560 1.00 65.95  1 . H  ? 
ATOM   565 HB3  HB3  . ALA ALA ALA B B 11 11 . -8.853  30.302 39.715 1.00 65.95  1 . H  ? 
ATOM   566 N    N    . GLU GLU GLU B B 12 12 . -6.613  32.971 38.046 1.00 70.81  1 . N  ? 
ATOM   567 CA   CA   . GLU GLU GLU B B 12 12 . -5.430  33.714 38.478 1.00 74.66  1 . C  ? 
ATOM   568 C    C    . GLU GLU GLU B B 12 12 . -5.703  35.191 38.781 1.00 80.21  1 . C  ? 
ATOM   569 O    O    . GLU GLU GLU B B 12 12 . -5.619  36.034 37.888 1.00 73.84  1 . O  ? 
ATOM   570 CB   CB   . GLU GLU GLU B B 12 12 . -4.338  33.607 37.402 1.00 78.86  1 . C  ? 
ATOM   571 CG   CG   . GLU GLU GLU B B 12 12 . -3.090  34.476 37.636 1.00 97.85  1 . C  ? 
ATOM   572 CD   CD   . GLU GLU GLU B B 12 12 . -1.897  33.687 38.153 1.00 102.24 1 . C  ? 
ATOM   573 OE1  OE1  . GLU GLU GLU B B 12 12 . -2.056  32.493 38.487 1.00 94.80  1 . O  ? 
ATOM   574 OE2  OE2  . GLU GLU GLU B B 12 12 . -0.794  34.268 38.229 1.00 104.41 1 . O  ? 
ATOM   575 H    H    . GLU GLU GLU B B 12 12 . -7.075  33.367 37.438 1.00 85.04  1 . H  ? 
ATOM   576 HA   HA   . GLU GLU GLU B B 12 12 . -5.124  33.320 39.310 1.00 89.66  1 . H  ? 
ATOM   577 HB2  HB2  . GLU GLU GLU B B 12 12 . -4.043  32.684 37.358 1.00 94.69  1 . H  ? 
ATOM   578 HB3  HB3  . GLU GLU GLU B B 12 12 . -4.721  33.874 36.552 1.00 94.69  1 . H  ? 
ATOM   579 HG2  HG2  . GLU GLU GLU B B 12 12 . -2.832  34.888 36.796 1.00 117.49 1 . H  ? 
ATOM   580 HG3  HG3  . GLU GLU GLU B B 12 12 . -3.301  35.160 38.290 1.00 117.49 1 . H  ? 
HETATM 581 C    C    . ORN ORN ORN B B 13 13 . -9.193  36.981 37.311 1.00 64.78  1 . C  ? 
HETATM 582 O    O    . ORN ORN ORN B B 13 13 . -10.342 36.579 37.506 1.00 68.31  1 . O  ? 
HETATM 583 CB   CB   . ORN ORN ORN B B 13 13 . -8.694  36.915 39.745 1.00 64.68  1 . C  ? 
HETATM 584 CG   CG   . ORN ORN ORN B B 13 13 . -7.703  37.164 40.888 1.00 76.24  1 . C  ? 
HETATM 585 CD   CD   . ORN ORN ORN B B 13 13 . -6.227  36.894 40.512 1.00 89.42  1 . C  ? 
HETATM 586 NE   NE   . ORN ORN ORN B B 13 13 . -5.991  35.511 40.092 1.00 88.59  1 . N  ? 
HETATM 587 CA   CA   . ORN ORN ORN B B 13 13 . -8.369  37.634 38.427 1.00 69.63  1 . C  ? 
HETATM 588 N    N    . ORN ORN ORN B B 13 13 . -8.636  39.103 38.532 1.00 70.11  1 . N  ? 
HETATM 589 H    H    . ORN ORN ORN B B 13 13 . -6.037  34.810 40.830 1.00 106.37 1 . H  ? 
HETATM 590 HA   HA   . ORN ORN ORN B B 13 13 . -7.310  37.576 38.157 1.00 83.63  1 . H  ? 
HETATM 591 HB2  HB2  . ORN ORN ORN B B 13 13 . -8.707  35.833 39.554 1.00 77.68  1 . H  ? 
HETATM 592 HB3  HB3  . ORN ORN ORN B B 13 13 . -9.681  37.256 40.089 1.00 77.68  1 . H  ? 
HETATM 593 HG2  HG2  . ORN ORN ORN B B 13 13 . -7.973  36.520 41.733 1.00 91.55  1 . H  ? 
HETATM 594 HG3  HG3  . ORN ORN ORN B B 13 13 . -7.797  38.207 41.213 1.00 91.55  1 . H  ? 
HETATM 595 HD2  HD2  . ORN ORN ORN B B 13 13 . -5.602  37.103 41.385 1.00 107.37 1 . H  ? 
HETATM 596 HD3  HD3  . ORN ORN ORN B B 13 13 . -5.951  37.559 39.688 1.00 107.37 1 . H  ? 
HETATM 597 HN1  HN1  . ORN ORN ORN B B 13 13 . -8.088  39.575 39.256 1.00 84.20  1 . H  ? 
HETATM 598 HN2  HN2  . ORN ORN ORN B B 13 13 . -9.608  39.334 38.754 1.00 84.20  1 . H  ? 
HETATM 599 HN3  HN3  . ORN ORN ORN B B 13 13 . -8.436  39.625 37.676 1.00 84.20  1 . H  ? 
ATOM   600 N    N    . ALA ALA ALA B B 14 14 . -8.564  36.856 36.101 1.00 68.21  1 . N  ? 
ATOM   601 CA   CA   . ALA ALA ALA B B 14 14 . -9.233  36.233 34.974 1.00 53.28  1 . C  ? 
ATOM   602 C    C    . ALA ALA ALA B B 14 14 . -9.091  34.722 35.084 1.00 47.00  1 . C  ? 
ATOM   603 O    O    . ALA ALA ALA B B 14 14 . -8.513  34.210 36.044 1.00 50.46  1 . O  ? 
ATOM   604 CB   CB   . ALA ALA ALA B B 14 14 . -8.655  36.732 33.665 1.00 69.20  1 . C  ? 
ATOM   605 H    H    . ALA ALA ALA B B 14 14 . -7.765  37.127 35.936 1.00 81.92  1 . H  ? 
ATOM   606 HA   HA   . ALA ALA ALA B B 14 14 . -10.174 36.467 34.975 1.00 64.00  1 . H  ? 
ATOM   607 HB1  HB1  . ALA ALA ALA B B 14 14 . -9.180  36.374 32.932 1.00 83.11  1 . H  ? 
ATOM   608 HB2  HB2  . ALA ALA ALA B B 14 14 . -8.690  37.702 33.654 1.00 83.11  1 . H  ? 
ATOM   609 HB3  HB3  . ALA ALA ALA B B 14 14 . -7.736  36.433 33.591 1.00 83.11  1 . H  ? 
ATOM   610 N    N    . ILE ILE ILE B B 15 15 . -9.630  34.016 34.097 1.00 42.92  1 . N  ? 
ATOM   611 CA   CA   . ILE ILE ILE B B 15 15 . -9.465  32.576 33.960 1.00 35.19  1 . C  ? 
ATOM   612 C    C    . ILE ILE ILE B B 15 15 . -8.580  32.338 32.744 1.00 48.30  1 . C  ? 
ATOM   613 O    O    . ILE ILE ILE B B 15 15 . -8.877  32.828 31.647 1.00 37.32  1 . O  ? 
ATOM   614 CB   CB   . ILE ILE ILE B B 15 15 . -10.825 31.869 33.828 1.00 34.22  1 . C  ? 
ATOM   615 CG1  CG1  . ILE ILE ILE B B 15 15 . -11.621 32.030 35.127 1.00 46.27  1 . C  ? 
ATOM   616 CG2  CG2  . ILE ILE ILE B B 15 15 . -10.648 30.393 33.485 1.00 42.76  1 . C  ? 
ATOM   617 CD1  CD1  . ILE ILE ILE B B 15 15 . -12.973 31.346 35.116 1.00 39.03  1 . C  ? 
ATOM   618 H    H    . ILE ILE ILE B B 15 15 . -10.111 34.362 33.475 1.00 51.57  1 . H  ? 
ATOM   619 HA   HA   . ILE ILE ILE B B 15 15 . -9.020  32.208 34.740 1.00 42.29  1 . H  ? 
ATOM   620 HB   HB   . ILE ILE ILE B B 15 15 . -11.316 32.284 33.102 1.00 41.13  1 . H  ? 
ATOM   621 HG12 HG12 . ILE ILE ILE B B 15 15 . -11.106 31.650 35.856 1.00 55.59  1 . H  ? 
ATOM   622 HG13 HG13 . ILE ILE ILE B B 15 15 . -11.771 32.975 35.284 1.00 55.59  1 . H  ? 
ATOM   623 HG21 HG21 . ILE ILE ILE B B 15 15 . -11.521 29.994 33.346 1.00 51.37  1 . H  ? 
ATOM   624 HG22 HG22 . ILE ILE ILE B B 15 15 . -10.117 30.318 32.677 1.00 51.37  1 . H  ? 
ATOM   625 HG23 HG23 . ILE ILE ILE B B 15 15 . -10.196 29.950 34.220 1.00 51.37  1 . H  ? 
ATOM   626 HD11 HD11 . ILE ILE ILE B B 15 15 . -13.460 31.595 35.917 1.00 46.90  1 . H  ? 
ATOM   627 HD12 HD12 . ILE ILE ILE B B 15 15 . -13.464 31.629 34.329 1.00 46.90  1 . H  ? 
ATOM   628 HD13 HD13 . ILE ILE ILE B B 15 15 . -12.841 30.385 35.094 1.00 46.90  1 . H  ? 
ATOM   629 N    N    . ILE ILE ILE B B 16 16 . -7.494  31.599 32.940 1.00 47.23  1 . N  ? 
ATOM   630 CA   CA   . ILE ILE ILE B B 16 16 . -6.467  31.462 31.915 1.00 33.33  1 . C  ? 
ATOM   631 C    C    . ILE ILE ILE B B 16 16 . -6.607  30.119 31.204 1.00 44.85  1 . C  ? 
ATOM   632 O    O    . ILE ILE ILE B B 16 16 . -6.609  29.081 31.863 1.00 44.51  1 . O  ? 
ATOM   633 CB   CB   . ILE ILE ILE B B 16 16 . -5.055  31.590 32.510 1.00 39.52  1 . C  ? 
ATOM   634 CG1  CG1  . ILE ILE ILE B B 16 16 . -4.925  32.871 33.347 1.00 59.58  1 . C  ? 
ATOM   635 CG2  CG2  . ILE ILE ILE B B 16 16 . -4.011  31.530 31.403 1.00 51.26  1 . C  ? 
ATOM   636 CD1  CD1  . ILE ILE ILE B B 16 16 . -4.447  34.077 32.572 1.00 65.70  1 . C  ? 
ATOM   637 H    H    . ILE ILE ILE B B 16 16 . -7.328  31.164 33.663 1.00 56.75  1 . H  ? 
ATOM   638 HA   HA   . ILE ILE ILE B B 16 16 . -6.591  32.176 31.270 1.00 40.06  1 . H  ? 
ATOM   639 HB   HB   . ILE ILE ILE B B 16 16 . -4.903  30.841 33.108 1.00 47.49  1 . H  ? 
ATOM   640 HG12 HG12 . ILE ILE ILE B B 16 16 . -5.794  33.088 33.720 1.00 71.56  1 . H  ? 
ATOM   641 HG13 HG13 . ILE ILE ILE B B 16 16 . -4.289  32.711 34.062 1.00 71.56  1 . H  ? 
ATOM   642 HG21 HG21 . ILE ILE ILE B B 16 16 . -3.141  31.738 31.778 1.00 61.58  1 . H  ? 
ATOM   643 HG22 HG22 . ILE ILE ILE B B 16 16 . -4.003  30.637 31.024 1.00 61.58  1 . H  ? 
ATOM   644 HG23 HG23 . ILE ILE ILE B B 16 16 . -4.240  32.178 30.719 1.00 61.58  1 . H  ? 
ATOM   645 HD11 HD11 . ILE ILE ILE B B 16 16 . -4.492  34.859 33.144 1.00 78.91  1 . H  ? 
ATOM   646 HD12 HD12 . ILE ILE ILE B B 16 16 . -3.531  33.927 32.288 1.00 78.91  1 . H  ? 
ATOM   647 HD13 HD13 . ILE ILE ILE B B 16 16 . -5.017  34.200 31.797 1.00 78.91  1 . H  ? 
HETATM 648 N    N    . SAR SAR SAR B B 17 17 . -6.721  30.132 29.874 1.00 45.18  1 . N  ? 
HETATM 649 CA   CA   . SAR SAR SAR B B 17 17 . -6.720  28.907 29.095 1.00 36.64  1 . C  ? 
HETATM 650 C    C    . SAR SAR SAR B B 17 17 . -5.468  28.428 28.881 1.00 41.91  1 . C  ? 
HETATM 651 O    O    . SAR SAR SAR B B 17 17 . -4.592  29.164 28.518 1.00 45.10  1 . O  ? 
HETATM 652 CN   CN   . SAR SAR SAR B B 17 17 . -7.046  31.293 29.062 1.00 57.07  1 . C  ? 
HETATM 653 HA2  HA2  . SAR SAR SAR B B 17 17 . -7.117  29.056 28.225 1.00 44.03  1 . H  ? 
HETATM 654 HA3  HA3  . SAR SAR SAR B B 17 17 . -7.214  28.212 29.551 1.00 44.03  1 . H  ? 
HETATM 655 HN1  HN1  . SAR SAR SAR B B 17 17 . -7.903  31.672 29.361 1.00 68.55  1 . H  ? 
HETATM 656 HN2  HN2  . SAR SAR SAR B B 17 17 . -6.337  31.969 29.158 1.00 68.55  1 . H  ? 
HETATM 657 HN3  HN3  . SAR SAR SAR B B 17 17 . -7.117  31.024 28.119 1.00 68.55  1 . H  ? 
ATOM   658 N    N    . LEU LEU LEU B B 18 18 . -5.282  27.128 29.103 1.00 36.25  1 . N  ? 
ATOM   659 CA   CA   . LEU LEU LEU B B 18 18 . -4.007  26.463 28.843 1.00 33.83  1 . C  ? 
ATOM   660 C    C    . LEU LEU LEU B B 18 18 . -4.211  25.199 28.017 1.00 37.47  1 . C  ? 
ATOM   661 O    O    . LEU LEU LEU B B 18 18 . -5.170  24.465 28.236 1.00 37.70  1 . O  ? 
ATOM   662 CB   CB   . LEU LEU LEU B B 18 18 . -3.312  26.098 30.151 1.00 48.10  1 . C  ? 
ATOM   663 CG   CG   . LEU LEU LEU B B 18 18 . -2.082  26.922 30.516 1.00 51.13  1 . C  ? 
ATOM   664 CD1  CD1  . LEU LEU LEU B B 18 18 . -2.426  28.395 30.566 1.00 48.75  1 . C  ? 
ATOM   665 CD2  CD2  . LEU LEU LEU B B 18 18 . -1.519  26.449 31.838 1.00 47.61  1 . C  ? 
ATOM   666 H    H    . LEU LEU LEU B B 18 18 . -5.889  26.601 29.409 1.00 43.57  1 . H  ? 
ATOM   667 HA   HA   . LEU LEU LEU B B 18 18 . -3.435  27.072 28.349 1.00 40.66  1 . H  ? 
ATOM   668 HB2  HB2  . LEU LEU LEU B B 18 18 . -3.951  26.205 30.872 1.00 57.79  1 . H  ? 
ATOM   669 HB3  HB3  . LEU LEU LEU B B 18 18 . -3.028  25.172 30.093 1.00 57.79  1 . H  ? 
ATOM   670 HG   HG   . LEU LEU LEU B B 18 18 . -1.398  26.805 29.837 1.00 61.42  1 . H  ? 
ATOM   671 HD11 HD11 . LEU LEU LEU B B 18 18 . -1.707  28.872 31.008 1.00 58.57  1 . H  ? 
ATOM   672 HD12 HD12 . LEU LEU LEU B B 18 18 . -2.535  28.725 29.660 1.00 58.57  1 . H  ? 
ATOM   673 HD13 HD13 . LEU LEU LEU B B 18 18 . -3.252  28.509 31.061 1.00 58.57  1 . H  ? 
ATOM   674 HD21 HD21 . LEU LEU LEU B B 18 18 . -0.648  26.853 31.973 1.00 57.20  1 . H  ? 
ATOM   675 HD22 HD22 . LEU LEU LEU B B 18 18 . -2.121  26.716 32.551 1.00 57.20  1 . H  ? 
ATOM   676 HD23 HD23 . LEU LEU LEU B B 18 18 . -1.437  25.483 31.819 1.00 57.20  1 . H  ? 
ATOM   677 N    N    . MET MET MET B B 19 19 . -3.296  24.932 27.088 1.00 29.40  1 . N  ? 
ATOM   678 CA   CA   . MET MET MET B B 19 19 . -3.366  23.749 26.241 1.00 35.84  1 . C  ? 
ATOM   679 C    C    . MET MET MET B B 19 19 . -2.479  22.674 26.851 1.00 30.67  1 . C  ? 
ATOM   680 O    O    . MET MET MET B B 19 19 . -1.290  22.909 27.087 1.00 33.35  1 . O  ? 
ATOM   681 CB   CB   . MET MET MET B B 19 19 . -2.930  24.070 24.809 1.00 29.25  1 . C  ? 
ATOM   682 CG   CG   . MET MET MET B B 19 19 . -3.545  23.162 23.747 1.00 54.22  1 . C  ? 
ATOM   683 SD   SD   . MET MET MET B B 19 19 . -2.981  23.527 22.066 1.00 71.86  1 . S  ? 
ATOM   684 CE   CE   . MET MET MET B B 19 19 . -1.224  23.175 22.161 1.00 55.29  1 . C  ? 
ATOM   685 H    H    . MET MET MET B B 19 19 . -2.614  25.431 26.928 1.00 35.35  1 . H  ? 
ATOM   686 HA   HA   . MET MET MET B B 19 19 . -4.282  23.430 26.200 1.00 43.08  1 . H  ? 
ATOM   687 HB2  HB2  . MET MET MET B B 19 19 . -3.189  24.981 24.603 1.00 35.17  1 . H  ? 
ATOM   688 HB3  HB3  . MET MET MET B B 19 19 . -1.966  23.979 24.751 1.00 35.17  1 . H  ? 
ATOM   689 HG2  HG2  . MET MET MET B B 19 19 . -3.308  22.243 23.946 1.00 65.13  1 . H  ? 
ATOM   690 HG3  HG3  . MET MET MET B B 19 19 . -4.509  23.268 23.766 1.00 65.13  1 . H  ? 
ATOM   691 HE1  HE1  . MET MET MET B B 19 19 . -0.824  23.326 21.291 1.00 66.42  1 . H  ? 
ATOM   692 HE2  HE2  . MET MET MET B B 19 19 . -0.819  23.763 22.818 1.00 66.42  1 . H  ? 
ATOM   693 HE3  HE3  . MET MET MET B B 19 19 . -1.101  22.250 22.426 1.00 66.42  1 . H  ? 
ATOM   694 N    N    . VAL VAL VAL B B 20 20 . -3.057  21.505 27.113 1.00 28.86  1 . N  ? 
ATOM   695 CA   CA   . VAL VAL VAL B B 20 20 . -2.332  20.371 27.673 1.00 41.60  1 . C  ? 
ATOM   696 C    C    . VAL VAL VAL B B 20 20 . -2.370  19.241 26.659 1.00 34.43  1 . C  ? 
ATOM   697 O    O    . VAL VAL VAL B B 20 20 . -3.454  18.783 26.276 1.00 31.67  1 . O  ? 
ATOM   698 CB   CB   . VAL VAL VAL B B 20 20 . -2.929  19.917 29.013 1.00 36.88  1 . C  ? 
ATOM   699 CG1  CG1  . VAL VAL VAL B B 20 20 . -2.243  18.646 29.487 1.00 37.93  1 . C  ? 
ATOM   700 CG2  CG2  . VAL VAL VAL B B 20 20 . -2.804  21.026 30.040 1.00 45.51  1 . C  ? 
ATOM   701 H    H    . VAL VAL VAL B B 20 20 . -3.889  21.342 26.969 1.00 34.70  1 . H  ? 
ATOM   702 HA   HA   . VAL VAL VAL B B 20 20 . -1.407  20.623 27.818 1.00 49.99  1 . H  ? 
ATOM   703 HB   HB   . VAL VAL VAL B B 20 20 . -3.873  19.722 28.899 1.00 44.32  1 . H  ? 
ATOM   704 HG11 HG11 . VAL VAL VAL B B 20 20 . -2.440  18.513 30.427 1.00 45.59  1 . H  ? 
ATOM   705 HG12 HG12 . VAL VAL VAL B B 20 20 . -2.575  17.896 28.969 1.00 45.59  1 . H  ? 
ATOM   706 HG13 HG13 . VAL VAL VAL B B 20 20 . -1.285  18.738 29.360 1.00 45.59  1 . H  ? 
ATOM   707 HG21 HG21 . VAL VAL VAL B B 20 20 . -3.203  20.730 30.874 1.00 54.68  1 . H  ? 
ATOM   708 HG22 HG22 . VAL VAL VAL B B 20 20 . -1.865  21.226 30.176 1.00 54.68  1 . H  ? 
ATOM   709 HG23 HG23 . VAL VAL VAL B B 20 20 . -3.266  21.813 29.714 1.00 54.68  1 . H  ? 
ATOM   710 N    N    . CYS CYS CYS B B 21 21 . -1.194  18.781 26.240 1.00 29.25  1 . N  ? 
ATOM   711 CA   CA   . CYS CYS CYS B B 21 21 . -1.082  17.762 25.209 1.00 34.44  1 . C  ? 
ATOM   712 C    C    . CYS CYS CYS B B 21 21 . -0.213  16.613 25.686 1.00 36.25  1 . C  ? 
ATOM   713 O    O    . CYS CYS CYS B B 21 21 . 0.811   16.821 26.346 1.00 36.32  1 . O  ? 
ATOM   714 CB   CB   . CYS CYS CYS B B 21 21 . -0.495  18.333 23.921 1.00 37.82  1 . C  ? 
ATOM   715 SG   SG   . CYS CYS CYS B B 21 21 . -1.376  19.758 23.294 1.00 50.04  1 . S  ? 
ATOM   716 H    H    . CYS CYS CYS B B 21 21 . -0.436  19.050 26.544 1.00 35.16  1 . H  ? 
ATOM   717 HA   HA   . CYS CYS CYS B B 21 21 . -1.968  17.413 25.025 1.00 41.39  1 . H  ? 
ATOM   718 HB2  HB2  . CYS CYS CYS B B 21 21 . 0.422   18.602 24.089 1.00 45.45  1 . H  ? 
ATOM   719 HB3  HB3  . CYS CYS CYS B B 21 21 . -0.519  17.646 23.236 1.00 45.45  1 . H  ? 
ATOM   720 N    N    . GLY GLY GLY B B 22 22 . -0.622  15.400 25.329 1.00 37.74  1 . N  ? 
ATOM   721 CA   CA   . GLY GLY GLY B B 22 22 . 0.172   14.224 25.597 1.00 43.38  1 . C  ? 
ATOM   722 C    C    . GLY GLY GLY B B 22 22 . 0.075   13.260 24.433 1.00 52.31  1 . C  ? 
ATOM   723 O    O    . GLY GLY GLY B B 22 22 . -0.849  13.323 23.617 1.00 57.44  1 . O  ? 
ATOM   724 H    H    . GLY GLY GLY B B 22 22 . -1.364  15.236 24.927 1.00 45.35  1 . H  ? 
ATOM   725 HA2  HA2  . GLY GLY GLY B B 22 22 . 1.101   14.474 25.723 1.00 52.13  1 . H  ? 
ATOM   726 HA3  HA3  . GLY GLY GLY B B 22 22 . -0.149  13.784 26.399 1.00 52.13  1 . H  ? 
ATOM   727 N    N    . VAL VAL VAL B B 23 23 . 1.053   12.367 24.365 1.00 59.79  1 . N  ? 
ATOM   728 CA   CA   . VAL VAL VAL B B 23 23 . 1.092   11.381 23.301 1.00 59.30  1 . C  ? 
ATOM   729 C    C    . VAL VAL VAL B B 23 23 . 0.412   10.085 23.733 1.00 69.03  1 . C  ? 
ATOM   730 O    O    . VAL VAL VAL B B 23 23 . 0.997   9.299  24.472 1.00 70.23  1 . O  ? 
ATOM   731 CB   CB   . VAL VAL VAL B B 23 23 . 2.540   11.099 22.857 1.00 61.66  1 . C  ? 
ATOM   732 CG1  CG1  . VAL VAL VAL B B 23 23 . 2.560   10.056 21.772 1.00 72.05  1 . C  ? 
ATOM   733 CG2  CG2  . VAL VAL VAL B B 23 23 . 3.214   12.365 22.368 1.00 60.82  1 . C  ? 
ATOM   734 H    H    . VAL VAL VAL B B 23 23 . 1.704   12.313 24.925 1.00 71.82  1 . H  ? 
ATOM   735 HA   HA   . VAL VAL VAL B B 23 23 . 0.605   11.739 22.542 1.00 71.23  1 . H  ? 
ATOM   736 HB   HB   . VAL VAL VAL B B 23 23 . 3.035   10.767 23.622 1.00 74.06  1 . H  ? 
ATOM   737 HG11 HG11 . VAL VAL VAL B B 23 23 . 3.470   9.950  21.453 1.00 86.53  1 . H  ? 
ATOM   738 HG12 HG12 . VAL VAL VAL B B 23 23 . 2.237   9.216  22.135 1.00 86.53  1 . H  ? 
ATOM   739 HG13 HG13 . VAL VAL VAL B B 23 23 . 1.987   10.345 21.045 1.00 86.53  1 . H  ? 
ATOM   740 HG21 HG21 . VAL VAL VAL B B 23 23 . 4.113   12.150 22.072 1.00 73.05  1 . H  ? 
ATOM   741 HG22 HG22 . VAL VAL VAL B B 23 23 . 2.701   12.731 21.630 1.00 73.05  1 . H  ? 
ATOM   742 HG23 HG23 . VAL VAL VAL B B 23 23 . 3.250   13.005 23.096 1.00 73.05  1 . H  ? 
ATOM   743 N    N    . VAL VAL VAL B B 24 24 . -0.812  9.857  23.275 1.00 65.44  1 . N  ? 
ATOM   744 CA   CA   . VAL VAL VAL B B 24 24 . -1.614  8.663  23.518 1.00 78.18  1 . C  ? 
ATOM   745 C    C    . VAL VAL VAL B B 24 24 . -1.288  7.815  22.297 1.00 88.06  1 . C  ? 
ATOM   746 O    O    . VAL VAL VAL B B 24 24 . -2.086  7.680  21.375 1.00 92.38  1 . O  ? 
ATOM   747 CB   CB   . VAL VAL VAL B B 24 24 . -3.118  8.968  23.676 1.00 82.46  1 . C  ? 
ATOM   748 CG1  CG1  . VAL VAL VAL B B 24 24 . -3.950  7.694  23.551 1.00 88.99  1 . C  ? 
ATOM   749 CG2  CG2  . VAL VAL VAL B B 24 24 . -3.380  9.638  25.014 1.00 73.96  1 . C  ? 
ATOM   750 H    H    . VAL VAL VAL B B 24 24 . -1.179  10.425 22.738 1.00 78.60  1 . H  ? 
ATOM   751 HA   HA   . VAL VAL VAL B B 24 24 . -1.411  8.212  24.352 1.00 93.88  1 . H  ? 
ATOM   752 HB   HB   . VAL VAL VAL B B 24 24 . -3.387  9.572  22.966 1.00 99.02  1 . H  ? 
ATOM   753 HG11 HG11 . VAL VAL VAL B B 24 24 . -4.838  7.861  23.905 1.00 106.86 1 . H  ? 
ATOM   754 HG12 HG12 . VAL VAL VAL B B 24 24 . -4.009  7.446  22.616 1.00 106.86 1 . H  ? 
ATOM   755 HG13 HG13 . VAL VAL VAL B B 24 24 . -3.521  6.986  24.056 1.00 106.86 1 . H  ? 
ATOM   756 HG21 HG21 . VAL VAL VAL B B 24 24 . -4.323  9.856  25.079 1.00 88.82  1 . H  ? 
ATOM   757 HG22 HG22 . VAL VAL VAL B B 24 24 . -3.132  9.028  25.726 1.00 88.82  1 . H  ? 
ATOM   758 HG23 HG23 . VAL VAL VAL B B 24 24 . -2.848  10.447 25.072 1.00 88.82  1 . H  ? 
HETATM 759 CL   CL   . CL  CL  CL  C . 1  1  . 3.402   28.799 31.141 1.00 80.92  1 . Cl ? 
HETATM 760 O    O    . HOH HOH HOH S . 1  1  . -10.230 22.915 33.347 1.00 47.36  1 . O  ? 
HETATM 761 O    O    . HOH HOH HOH S . 2  2  . -3.060  30.931 27.369 1.00 40.78  1 . O  ? 
HETATM 762 O    O    . HOH HOH HOH S . 3  3  . -3.694  15.563 27.427 1.00 56.13  1 . O  ? 
HETATM 763 O    O    . HOH HOH HOH S . 4  4  . -8.253  14.919 23.822 1.00 55.96  1 . O  ? 
HETATM 764 O    O    . HOH HOH HOH S . 5  5  . -5.543  14.674 27.779 1.00 61.44  1 . O  ? 
HETATM 765 O    O    . HOH HOH HOH S . 6  6  . 2.549   30.824 29.516 1.00 60.15  1 . O  ? 
HETATM 766 O    O    . HOH HOH HOH S . 7  7  . 2.501   31.231 31.692 1.00 61.84  1 . O  ? 
HETATM 767 O    O    . HOH HOH HOH S . 8  8  . 6.719   20.826 24.925 1.00 59.58  1 . O  ? 
HETATM 768 O    O    . HOH HOH HOH S . 9  9  . -4.260  13.395 26.847 1.00 51.07  1 . O  ? 
HETATM 769 O    O    . HOH HOH HOH S . 10 10 . -4.683  28.720 23.713 1.00 64.05  1 . O  ? 
HETATM 770 O    O    . HOH HOH HOH S . 11 11 . -5.777  31.117 25.031 1.00 57.46  1 . O  ? 
# 
_atom_sites.entry_id                    UNNAMED 
_atom_sites.fract_transf_matrix[1][1]   0.022560 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.022560 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.015522 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
_cell.length_a      44.327 
_cell.length_b      44.327 
_cell.length_c      64.427 
_cell.angle_alpha   90.000 
_cell.angle_beta    90.000 
_cell.angle_gamma   90.000 
_cell.entry_id      UNNAMED 
# 
_data_extraction.extraction_date   'Fri Aug 13 20:02:42 2021' 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   UNNAMED 
WWPDB UNNAMED 
# 
_database_PDB_remark.id     3 
_database_PDB_remark.text   
;
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.19_4092: ???)                              
REMARK   3   AUTHORS     : Adams,Afonine,Bunkoczi,Burnley,Chen,Dar,Davis,       
REMARK   3               : Draizen,Echols,Gildea,Gros,Grosse-Kunstleve,Headd,   
REMARK   3               : Hintze,Hung,Ioerger,Liebschner,McCoy,McKee,Moriarty, 
REMARK   3               : Oeffner,Poon,Read,Richardson,Richardson,Sacchettini, 
REMARK   3               : Sauter,Sobolev,Storoni,Terwilliger,Williams,Zwart    
REMARK   3                                                                      
REMARK   3  X-RAY DATA.                                                         
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : ML                                              
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 36.52                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.33                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.83                          
REMARK   3   NUMBER OF REFLECTIONS             : 7150                           
REMARK   3   NUMBER OF REFLECTIONS (NON-ANOMALOUS) : 4079                       
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.2661                          
REMARK   3   R VALUE            (WORKING SET) : 0.2632                          
REMARK   3   FREE R VALUE                     : 0.2934                          
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.04                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 718                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE  CCWOR 
REMARK   3     1   36.52 -    3.59    1.00     1286   144  0.2371 0.2916   0.89 
REMARK   3     2    3.59 -    2.85    1.00     1289   145  0.2636 0.2504   0.86 
REMARK   3     3    2.85 -    2.49    1.00     1281   143  0.3211 0.3251   0.78 
REMARK   3     4    2.49 -    2.26    1.00     1291   145  0.2997 0.3390   0.80 
REMARK   3     5    2.26 -    2.10    1.00     1285   141  0.3250 0.3258   0.77 
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   GRID STEP FACTOR   : 4.00                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.31             
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 41.12            
REMARK   3                                                                      
REMARK   3  STRUCTURE FACTORS CALCULATION ALGORITHM : FFT                       
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 43.80                          
REMARK   3                                                                      
REMARK   3  GEOMETRY RESTRAINTS LIBRARY: GEOSTD + MONOMER LIBRARY + CDL V1.2    
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3    BOND      :  0.005   0.037    370                                 
REMARK   3    ANGLE     :  0.974   9.171    496                                 
REMARK   3    CHIRALITY :  0.056   0.166     62                                 
REMARK   3    PLANARITY :  0.006   0.027     58                                 
REMARK   3    DIHEDRAL  : 37.621 111.622     86                                 
REMARK   3    MIN NONBONDED DISTANCE : 2.037                                    
REMARK   3                                                                      
REMARK   3  MOLPROBITY STATISTICS.                                              
REMARK   3    ALL-ATOM CLASHSCORE : 5.59                                        
REMARK   3    RAMACHANDRAN PLOT:                                                
REMARK   3      OUTLIERS :  0.00 %                                              
REMARK   3      ALLOWED  :  0.00 %                                              
REMARK   3      FAVORED  : 100.00 %                                             
REMARK   3    ROTAMER OUTLIERS :  0.00 %                                        
REMARK   3    CBETA DEVIATIONS :  0.00 %                                        
REMARK   3    PEPTIDE PLANE:                                                    
REMARK   3      CIS-PROLINE     : 0.00 %                                        
REMARK   3      CIS-GENERAL     : 0.00 %                                        
REMARK   3      TWISTED PROLINE : 0.00 %                                        
REMARK   3      TWISTED GENERAL : 0.00 %                                        
REMARK   3                                                                      
REMARK   3  RAMA-Z (RAMACHANDRAN PLOT Z-SCORE):                                 
REMARK   3  INTERPRETATION: BAD |RAMA-Z| > 3; SUSPICIOUS 2 < |RAMA-Z| < 3; GOOD 
REMARK   3  SCORES FOR WHOLE/HELIX/SHEET/LOOP ARE SCALED INDEPENDENTLY;         
REMARK   3  THEREFORE, THE VALUES ARE NOT RELATED IN A SIMPLE MANNER.           
REMARK   3    WHOLE:  3.04 (1.61), RESIDUES: 28                                 
REMARK   3    HELIX:  NONE (NONE), RESIDUES: 0                                  
REMARK   3    SHEET:  1.95 (0.97), RESIDUES: 28                                 
REMARK   3    LOOP :  NONE (NONE), RESIDUES: 0                                  
REMARK   3                                                                      
REMARK   3                  min    max   mean <Bi,j>   iso aniso                
REMARK   3     Overall:   27.45 104.41  54.16   7.74   376     0                
REMARK   3     Protein:   27.45 104.41  51.71   7.79   332     0                
REMARK   3     Water:     40.78  64.05  55.98    N/A    11     0                
REMARK   3     Other:     50.19  98.16  78.21    N/A    33     0                
REMARK   3     Chain  A:  27.45  92.14  52.79    N/A   182     0                
REMARK   3     Chain  C:  80.92  80.92  80.92    N/A     1     0                
REMARK   3     Chain  B:  28.86 104.41  55.28    N/A   182     0                
REMARK   3     Chain  S:  40.78  64.05  55.98    N/A    11     0                
REMARK   3     Histogram:                                                       
REMARK   3         Values      Number of atoms                                  
REMARK   3      27.45 - 35.15        35                                         
REMARK   3      35.15 - 42.84        78                                         
REMARK   3      42.84 - 50.54        74                                         
REMARK   3      50.54 - 58.23        63                                         
REMARK   3      58.23 - 65.93        37                                         
REMARK   3      65.93 - 73.62        28                                         
REMARK   3      73.62 - 81.32        29                                         
REMARK   3      81.32 - 89.02        17                                         
REMARK   3      89.02 - 96.71        11                                         
REMARK   3      96.71 - 104.41        4                                         
REMARK   3                                                                      
REMARK   3                                                                      
;
# 
_entry.id   UNNAMED 
# 
_exptl.crystals_number   1 
_exptl.entry_id          UNNAMED 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_refine.entry_id                                 UNNAMED 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            2.1000 
_refine.ls_d_res_low                             36.5200 
_refine.pdbx_ls_sigma_F                          1.330 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.8300 
_refine.ls_number_reflns_obs                     7150 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.ls_matrix_type                           ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.details                                  ? 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2661 
_refine.ls_R_factor_R_work                       0.2632 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2934 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 10.0400 
_refine.ls_number_reflns_R_free                  718 
_refine.ls_number_reflns_R_work                  6432 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               60.8087 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.overall_SU_ML                            0.3100 
_refine.overall_SU_B                             ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.B_iso_max                                117.860 
_refine.B_iso_min                                27.450 
_refine.pdbx_overall_phase_error                 41.1200 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
# 
_refine_hist.cycle_id                     final 
_refine_hist.pdbx_refine_id               'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                   2.10 
_refine_hist.d_res_low                    36.52 
_refine_hist.pdbx_number_atoms_ligand     1 
_refine_hist.number_atoms_solvent         11 
_refine_hist.number_atoms_total           770 
_refine_hist.pdbx_number_residues_total   48 
_refine_hist.pdbx_B_iso_mean_ligand       80.92 
_refine_hist.pdbx_B_iso_mean_solvent      55.98 
# 
loop_
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.R_factor_R_free 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.pdbx_refine_id 
2.1000 2.2600  5 100.0000 1285 ? 0.3250 0.3258 ? 141 0.0000 1426 ? 'X-RAY DIFFRACTION' 
2.2600 2.4900  5 100.0000 1291 ? 0.2997 0.3390 ? 145 0.0000 1436 ? 'X-RAY DIFFRACTION' 
2.4900 2.8500  5 100.0000 1281 ? 0.3211 0.3251 ? 143 0.0000 1424 ? 'X-RAY DIFFRACTION' 
2.8500 3.5900  5 100.0000 1289 ? 0.2636 0.2504 ? 145 0.0000 1434 ? 'X-RAY DIFFRACTION' 
3.5900 36.5200 5 100.0000 1286 ? 0.2371 0.2916 ? 144 0.0000 1430 ? 'X-RAY DIFFRACTION' 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
1 PHENIX      1.19_4092 ?               package 'Paul D. Adams' PDAdams@lbl.gov          
refinement        http://www.phenix-online.org/             C++ 
2 PDB_EXTRACT 3.27      'Oct. 31, 2020' package PDB             deposit@deposit.rcsb.org 
'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ 
# 
_symmetry.space_group_name_H-M   'P 41 21 2' 
_symmetry.entry_id               UNNAMED 
# 
