data_3upr_2
#
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 ? -52.137 59.673 63.812 1.0 28.01 1 Q 1 
ATOM 2  C CA  . HIS A ? 1 ? -51.324 60.689 63.155 1.0 28.7  1 Q 1 
ATOM 3  C C   . HIS A ? 1 ? -49.867 60.558 63.578 1.0 25.54 1 Q 1 
ATOM 4  O O   . HIS A ? 1 ? -49.564 60.352 64.757 1.0 20.8  1 Q 1 
ATOM 5  C CB  . HIS A ? 1 ? -51.841 62.088 63.498 1.0 29.11 1 Q 1 
ATOM 6  C CG  . HIS A ? 1 ? -51.468 63.138 62.497 1.0 29.96 1 Q 1 
ATOM 7  C CD2 . HIS A ? 1 ? -50.376 63.933 62.403 1.0 33.83 1 Q 1 
ATOM 8  N ND1 . HIS A ? 1 ? -52.276 63.469 61.431 1.0 30.57 1 Q 1 
ATOM 9  C CE1 . HIS A ? 1 ? -51.698 64.422 60.722 1.0 33.52 1 Q 1 
ATOM 10 N NE2 . HIS A ? 1 ? -50.545 64.722 61.290 1.0 37.15 1 Q 1 
ATOM 11 N N   . SER A ? 2 ? -48.969 60.692 62.607 1.0 28.47 2 Q 1 
ATOM 12 C CA  . SER A ? 2 ? -47.539 60.588 62.855 1.0 23.14 2 Q 1 
ATOM 13 C C   . SER A ? 2 ? -47.039 61.784 63.645 1.0 28.2  2 Q 1 
ATOM 14 O O   . SER A ? 2 ? -47.658 62.849 63.633 1.0 32.49 2 Q 1 
ATOM 15 C CB  . SER A ? 2 ? -46.786 60.528 61.532 1.0 28.37 2 Q 1 
ATOM 16 O OG  . SER A ? 2 ? -46.883 61.768 60.854 1.0 30.0  2 Q 1 
ATOM 17 N N   . ILE A ? 3 ? -45.914 61.608 64.331 1.0 26.64 3 Q 1 
ATOM 18 C CA  . ILE A ? 3 ? -45.288 62.710 65.045 1.0 25.85 3 Q 1 
ATOM 19 C C   . ILE A ? 3 ? -44.496 63.577 64.071 1.0 28.48 3 Q 1 
ATOM 20 O O   . ILE A ? 3 ? -43.800 63.068 63.195 1.0 30.26 3 Q 1 
ATOM 21 C CB  . ILE A ? 3 ? -44.374 62.219 66.199 1.0 26.26 3 Q 1 
ATOM 22 C CG1 . ILE A ? 3 ? -43.867 63.404 67.031 1.0 31.56 3 Q 1 
ATOM 23 C CG2 . ILE A ? 3 ? -43.208 61.393 65.677 1.0 24.36 3 Q 1 
ATOM 24 C CD1 . ILE A ? 3 ? -42.830 63.024 68.062 1.0 24.03 3 Q 1 
ATOM 25 N N   . THR A ? 4 ? -44.633 64.890 64.198 1.0 30.12 4 Q 1 
ATOM 26 C CA  . THR A ? 4 ? -43.795 65.795 63.432 1.0 28.72 4 Q 1 
ATOM 27 C C   . THR A ? 4 ? -42.610 66.183 64.304 1.0 30.9  4 Q 1 
ATOM 28 O O   . THR A ? 4 ? -42.748 66.957 65.251 1.0 35.3  4 Q 1 
ATOM 29 C CB  . THR A ? 4 ? -44.558 67.051 62.981 1.0 38.49 4 Q 1 
ATOM 30 C CG2 . THR A ? 4 ? -43.719 67.859 61.992 1.0 33.16 4 Q 1 
ATOM 31 O OG1 . THR A ? 4 ? -45.786 66.663 62.353 1.0 43.62 4 Q 1 
ATOM 32 N N   . TYR A ? 5 ? -41.452 65.615 63.992 1.0 31.86 5 Q 1 
ATOM 33 C CA  . TYR A ? 5 ? -40.236 65.841 64.759 1.0 28.63 5 Q 1 
ATOM 34 C C   . TYR A ? 5 ? -39.050 65.398 63.911 1.0 35.12 5 Q 1 
ATOM 35 O O   . TYR A ? 5 ? -38.750 64.207 63.825 1.0 29.15 5 Q 1 
ATOM 36 C CB  . TYR A ? 5 ? -40.275 65.042 66.063 1.0 26.34 5 Q 1 
ATOM 37 C CG  . TYR A ? 5 ? -39.209 65.428 67.066 1.0 27.92 5 Q 1 
ATOM 38 C CD1 . TYR A ? 5 ? -38.510 66.621 66.945 1.0 34.35 5 Q 1 
ATOM 39 C CD2 . TYR A ? 5 ? -38.901 64.597 68.133 1.0 28.42 5 Q 1 
ATOM 40 C CE1 . TYR A ? 5 ? -37.536 66.975 67.859 1.0 29.43 5 Q 1 
ATOM 41 C CE2 . TYR A ? 5 ? -37.929 64.940 69.050 1.0 29.09 5 Q 1 
ATOM 42 C CZ  . TYR A ? 5 ? -37.248 66.132 68.908 1.0 31.39 5 Q 1 
ATOM 43 O OH  . TYR A ? 5 ? -36.277 66.481 69.816 1.0 31.7  5 Q 1 
ATOM 44 N N   . LEU A ? 6 ? -38.390 66.358 63.272 1.0 28.26 6 Q 1 
ATOM 45 C CA  . LEU A ? 6 ? -37.254 66.058 62.412 1.0 32.31 6 Q 1 
ATOM 46 C C   . LEU A ? 6 ? -35.980 65.960 63.245 1.0 35.9  6 Q 1 
ATOM 47 O O   . LEU A ? 6 ? -35.298 66.953 63.488 1.0 45.51 6 Q 1 
ATOM 48 C CB  . LEU A ? 6 ? -37.130 67.113 61.309 1.0 32.02 6 Q 1 
ATOM 49 C CG  . LEU A ? 6 ? -38.345 67.140 60.376 1.0 26.48 6 Q 1 
ATOM 50 C CD1 . LEU A ? 6 ? -38.175 68.168 59.261 1.0 28.91 6 Q 1 
ATOM 51 C CD2 . LEU A ? 6 ? -38.602 65.747 59.809 1.0 28.7  6 Q 1 
ATOM 52 N N   . LEU A ? 7 ? -35.674 64.741 63.675 1.0 31.99 7 Q 1 
ATOM 53 C CA  . LEU A ? 7 ? -34.652 64.492 64.682 1.0 30.67 7 Q 1 
ATOM 54 C C   . LEU A ? 7 ? -33.398 63.870 64.080 1.0 33.95 7 Q 1 
ATOM 55 O O   . LEU A ? 7 ? -33.466 62.791 63.493 1.0 39.36 7 Q 1 
ATOM 56 C CB  . LEU A ? 7 ? -35.235 63.556 65.741 1.0 27.32 7 Q 1 
ATOM 57 C CG  . LEU A ? 7 ? -34.357 63.001 66.855 1.0 29.4  7 Q 1 
ATOM 58 C CD1 . LEU A ? 7 ? -33.792 64.120 67.712 1.0 34.19 7 Q 1 
ATOM 59 C CD2 . LEU A ? 7 ? -35.187 62.054 67.694 1.0 28.23 7 Q 1 
ATOM 60 N N   . PRO A ? 8 ? -32.250 64.562 64.204 1.0 30.77 8 Q 1 
ATOM 61 C CA  . PRO A ? 8 ? -30.945 64.016 63.802 1.0 29.5  8 Q 1 
ATOM 62 C C   . PRO A ? 8 ? -30.371 63.038 64.826 1.0 34.98 8 Q 1 
ATOM 63 O O   . PRO A ? 8 ? -30.655 63.156 66.020 1.0 37.23 8 Q 1 
ATOM 64 C CB  . PRO A ? 8 ? -30.052 65.262 63.715 1.0 29.01 8 Q 1 
ATOM 65 C CG  . PRO A ? 8 ? -30.995 66.414 63.603 1.0 29.6  8 Q 1 
ATOM 66 C CD  . PRO A ? 8 ? -32.183 66.014 64.425 1.0 34.78 8 Q 1 
ATOM 67 N N   . VAL A ? 9 ? -29.572 62.081 64.359 1.0 33.03 9 Q 1 
ATOM 68 C CA  . VAL A ? 9 ? -28.910 61.135 65.250 1.0 32.64 9 Q 1 
ATOM 69 C C   . VAL A ? 9 ? -27.501 61.617 65.560 1.0 34.17 9 Q 1 
ATOM 70 O O   . VAL A ? 9 ? -27.007 62.542 64.915 1.0 31.73 9 Q 1 
ATOM 71 C CB  . VAL A ? 9 ? -28.830 59.723 64.635 1.0 29.69 9 Q 1 
ATOM 72 C CG1 . VAL A ? 9 ? -30.220 59.214 64.305 1.0 27.46 9 Q 1 
ATOM 73 C CG2 . VAL A ? 9 ? -27.950 59.733 63.397 1.0 27.68 9 Q 1 
ATOM 74 O OXT . VAL A ? 9 ? -26.827 61.096 66.452 1.0 30.35 9 Q 1 
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