data_3rwj_1
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_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.auth_seq_id
_atom_site.auth_asym_id
_atom_site.pdbx_PDB_model_num
ATOM 1  N N   . HIS A ? 1 ? -48.244 60.553 62.930 1.0 36.12 1 C 1 
ATOM 2  C CA  . HIS A ? 1 ? -46.836 60.751 62.607 1.0 35.0  1 C 1 
ATOM 3  C C   . HIS A ? 1 ? -46.153 61.734 63.552 1.0 29.52 1 C 1 
ATOM 4  O O   . HIS A ? 1 ? -46.605 62.868 63.720 1.0 34.24 1 C 1 
ATOM 5  C CB  . HIS A ? 1 ? -46.674 61.228 61.162 1.0 37.35 1 C 1 
ATOM 6  C CG  . HIS A ? 1 ? -46.660 60.118 60.156 1.0 47.25 1 C 1 
ATOM 7  C CD2 . HIS A ? 1 ? -47.592 59.713 59.261 1.0 40.65 1 C 1 
ATOM 8  N ND1 . HIS A ? 1 ? -45.579 59.282 59.989 1.0 46.52 1 C 1 
ATOM 9  C CE1 . HIS A ? 1 ? -45.845 58.405 59.037 1.0 46.93 1 C 1 
ATOM 10 N NE2 . HIS A ? 1 ? -47.060 58.646 58.579 1.0 41.76 1 C 1 
ATOM 11 N N   . LEU A ? 2 ? -45.061 61.290 64.165 1.0 30.44 2 C 1 
ATOM 12 C CA  . LEU A ? 2 ? -44.251 62.149 65.018 1.0 30.52 2 C 1 
ATOM 13 C C   . LEU A ? 2 ? -43.732 63.339 64.221 1.0 35.22 2 C 1 
ATOM 14 O O   . LEU A ? 2 ? -43.256 63.181 63.097 1.0 32.32 2 C 1 
ATOM 15 C CB  . LEU A ? 2 ? -43.079 61.362 65.606 1.0 34.83 2 C 1 
ATOM 16 C CG  . LEU A ? 2 ? -42.069 62.160 66.433 1.0 30.53 2 C 1 
ATOM 17 C CD1 . LEU A ? 2 ? -42.762 62.864 67.588 1.0 19.92 2 C 1 
ATOM 18 C CD2 . LEU A ? 2 ? -40.955 61.255 66.939 1.0 15.5  2 C 1 
ATOM 19 N N   . GLU A ? 3 ? -43.825 64.527 64.806 1.0 40.41 3 C 1 
ATOM 20 C CA  . GLU A ? 3 ? -43.401 65.746 64.129 1.0 31.64 3 C 1 
ATOM 21 C C   . GLU A ? 3 ? -41.994 66.154 64.557 1.0 26.89 3 C 1 
ATOM 22 O O   . GLU A ? 3 ? -41.286 66.840 63.820 1.0 30.35 3 C 1 
ATOM 23 C CB  . GLU A ? 3 ? -44.394 66.878 64.401 1.0 33.96 3 C 1 
ATOM 24 C CG  . GLU A ? 3 ? -44.228 68.087 63.496 1.0 57.29 3 C 1 
ATOM 25 C CD  . GLU A ? 3 ? -45.361 69.084 63.648 1.0 77.6  3 C 1 
ATOM 26 O OE1 . GLU A ? 3 ? -46.155 68.941 64.601 1.0 79.73 3 C 1 
ATOM 27 O OE2 . GLU A ? 3 ? -45.460 70.006 62.811 1.0 84.14 3 C 1 
ATOM 28 N N   . VAL A ? 4 ? -41.594 65.728 65.751 1.0 24.32 4 C 1 
ATOM 29 C CA  . VAL A ? 4 ? -40.256 66.015 66.254 1.0 35.09 4 C 1 
ATOM 30 C C   . VAL A ? 4 ? -39.239 65.078 65.612 1.0 28.75 4 C 1 
ATOM 31 O O   . VAL A ? 4 ? -39.466 63.873 65.520 1.0 41.79 4 C 1 
ATOM 32 C CB  . VAL A ? 4 ? -40.187 65.870 67.785 1.0 40.42 4 C 1 
ATOM 33 C CG1 . VAL A ? 4 ? -38.823 66.308 68.295 1.0 26.03 4 C 1 
ATOM 34 C CG2 . VAL A ? 4 ? -41.289 66.684 68.444 1.0 42.85 4 C 1 
ATOM 35 N N   . GLN A ? 5 ? -38.118 65.638 65.168 1.0 21.87 5 C 1 
ATOM 36 C CA  . GLN A ? 5 ? -37.105 64.859 64.464 1.0 28.38 5 C 1 
ATOM 37 C C   . GLN A ? 5 ? -35.916 64.517 65.355 1.0 32.44 5 C 1 
ATOM 38 O O   . GLN A ? 5 ? -35.216 65.405 65.841 1.0 39.89 5 C 1 
ATOM 39 C CB  . GLN A ? 5 ? -36.630 65.609 63.217 1.0 37.82 5 C 1 
ATOM 40 C CG  . GLN A ? 5 ? -37.754 66.032 62.288 1.0 42.24 5 C 1 
ATOM 41 C CD  . GLN A ? 5 ? -38.586 64.859 61.807 1.0 43.58 5 C 1 
ATOM 42 N NE2 . GLN A ? 5 ? -39.853 65.118 61.503 1.0 52.77 5 C 1 
ATOM 43 O OE1 . GLN A ? 5 ? -38.098 63.733 61.713 1.0 33.97 5 C 1 
ATOM 44 N N   . GLY A ? 6 ? -35.693 63.224 65.563 1.0 28.81 6 C 1 
ATOM 45 C CA  . GLY A ? 6 ? -34.577 62.759 66.367 1.0 31.9  6 C 1 
ATOM 46 C C   . GLY A ? 6 ? -33.384 62.375 65.516 1.0 22.97 6 C 1 
ATOM 47 O O   . GLY A ? 6 ? -33.363 61.306 64.906 1.0 31.4  6 C 1 
ATOM 48 N N   . TYR A ? 7 ? -32.387 63.252 65.474 1.0 16.18 7 C 1 
ATOM 49 C CA  . TYR A ? 7 ? -31.189 63.019 64.674 1.0 29.98 7 C 1 
ATOM 50 C C   . TYR A ? 7 ? -30.135 62.242 65.454 1.0 21.73 7 C 1 
ATOM 51 O O   . TYR A ? 7 ? -29.802 62.595 66.586 1.0 34.56 7 C 1 
ATOM 52 C CB  . TYR A ? 7 ? -30.602 64.346 64.192 1.0 26.85 7 C 1 
ATOM 53 C CG  . TYR A ? 7 ? -31.538 65.154 63.322 1.0 24.6  7 C 1 
ATOM 54 C CD1 . TYR A ? 7 ? -31.545 64.996 61.944 1.0 22.68 7 C 1 
ATOM 55 C CD2 . TYR A ? 7 ? -32.413 66.076 63.881 1.0 28.66 7 C 1 
ATOM 56 C CE1 . TYR A ? 7 ? -32.398 65.731 61.144 1.0 24.94 7 C 1 
ATOM 57 C CE2 . TYR A ? 7 ? -33.270 66.816 63.090 1.0 31.41 7 C 1 
ATOM 58 C CZ  . TYR A ? 7 ? -33.259 66.640 61.722 1.0 35.04 7 C 1 
ATOM 59 O OH  . TYR A ? 7 ? -34.111 67.376 60.931 1.0 46.8  7 C 1 
ATOM 60 N N   . TRP A ? 8 ? -29.611 61.184 64.844 1.0 19.17 8 C 1 
ATOM 61 C CA  . TRP A ? 8 ? -28.552 60.395 65.462 1.0 32.16 8 C 1 
ATOM 62 C C   . TRP A ? 8 ? -27.303 61.243 65.677 1.0 27.91 8 C 1 
ATOM 63 O O   . TRP A ? 8 ? -27.047 62.188 64.932 1.0 31.28 8 C 1 
ATOM 64 C CB  . TRP A ? 8 ? -28.213 59.172 64.606 1.0 27.6  8 C 1 
ATOM 65 C CG  . TRP A ? 8 ? -29.272 58.110 64.613 1.0 19.73 8 C 1 
ATOM 66 C CD1 . TRP A ? 8 ? -30.507 58.185 65.187 1.0 27.45 8 C 1 
ATOM 67 C CD2 . TRP A ? 8 ? -29.183 56.806 64.024 1.0 22.97 8 C 1 
ATOM 68 C CE2 . TRP A ? 8 ? -30.403 56.149 64.277 1.0 29.17 8 C 1 
ATOM 69 C CE3 . TRP A ? 8 ? -28.191 56.133 63.304 1.0 17.56 8 C 1 
ATOM 70 N NE1 . TRP A ? 8 ? -31.194 57.012 64.989 1.0 30.0  8 C 1 
ATOM 71 C CZ2 . TRP A ? 8 ? -30.658 54.851 63.837 1.0 19.24 8 C 1 
ATOM 72 C CZ3 . TRP A ? 8 ? -28.446 54.844 62.868 1.0 11.89 8 C 1 
ATOM 73 C CH2 . TRP A ? 8 ? -29.669 54.217 63.137 1.0 5.55  8 C 1 
ATOM 74 O OXT . TRP A ? 8 ? -26.524 61.003 66.599 1.0 27.46 8 C 1 
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