data_3upr_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 ? -52.011 59.358 63.960 1.0 26.67 1 P 1 ATOM 2 C CA . HIS A ? 1 ? -51.263 60.420 63.302 1.0 27.7 1 P 1 ATOM 3 C C . HIS A ? 1 ? -49.793 60.393 63.716 1.0 31.91 1 P 1 ATOM 4 O O . HIS A ? 1 ? -49.470 60.262 64.900 1.0 27.05 1 P 1 ATOM 5 C CB . HIS A ? 1 ? -51.875 61.782 63.621 1.0 22.25 1 P 1 ATOM 6 C CG . HIS A ? 1 ? -51.489 62.858 62.656 1.0 20.88 1 P 1 ATOM 7 C CD2 . HIS A ? 1 ? -52.222 63.554 61.757 1.0 27.14 1 P 1 ATOM 8 N ND1 . HIS A ? 1 ? -50.198 63.332 62.547 1.0 29.33 1 P 1 ATOM 9 C CE1 . HIS A ? 1 ? -50.157 64.275 61.622 1.0 28.42 1 P 1 ATOM 10 N NE2 . HIS A ? 1 ? -51.372 64.429 61.127 1.0 28.1 1 P 1 ATOM 11 N N . SER A ? 2 ? -48.911 60.520 62.727 1.0 30.58 2 P 1 ATOM 12 C CA . SER A ? 2 ? -47.473 60.474 62.957 1.0 22.88 2 P 1 ATOM 13 C C . SER A ? 2 ? -46.996 61.720 63.697 1.0 26.21 2 P 1 ATOM 14 O O . SER A ? 2 ? -47.681 62.744 63.717 1.0 25.07 2 P 1 ATOM 15 C CB . SER A ? 2 ? -46.723 60.335 61.630 1.0 23.2 2 P 1 ATOM 16 O OG . SER A ? 2 ? -46.774 61.545 60.887 1.0 21.48 2 P 1 ATOM 17 N N . ILE A ? 3 ? -45.819 61.622 64.303 1.0 26.45 3 P 1 ATOM 18 C CA . ILE A ? 3 ? -45.200 62.746 64.988 1.0 20.48 3 P 1 ATOM 19 C C . ILE A ? 3 ? -44.459 63.615 63.990 1.0 24.94 3 P 1 ATOM 20 O O . ILE A ? 3 ? -43.963 63.133 62.986 1.0 26.38 3 P 1 ATOM 21 C CB . ILE A ? 3 ? -44.214 62.267 66.068 1.0 21.19 3 P 1 ATOM 22 C CG1 . ILE A ? 3 ? -43.684 63.443 66.890 1.0 24.85 3 P 1 ATOM 23 C CG2 . ILE A ? 3 ? -43.060 61.510 65.440 1.0 21.79 3 P 1 ATOM 24 C CD1 . ILE A ? 3 ? -42.983 63.031 68.163 1.0 25.63 3 P 1 ATOM 25 N N . THR A ? 4 ? -44.407 64.903 64.268 1.0 21.8 4 P 1 ATOM 26 C CA . THR A ? 4 ? -43.580 65.800 63.504 1.0 22.24 4 P 1 ATOM 27 C C . THR A ? 4 ? -42.345 66.135 64.332 1.0 25.77 4 P 1 ATOM 28 O O . THR A ? 4 ? -42.422 66.842 65.326 1.0 28.02 4 P 1 ATOM 29 C CB . THR A ? 4 ? -44.335 67.072 63.085 1.0 33.21 4 P 1 ATOM 30 C CG2 . THR A ? 4 ? -43.476 67.922 62.177 1.0 27.66 4 P 1 ATOM 31 O OG1 . THR A ? 4 ? -45.529 66.711 62.390 1.0 31.32 4 P 1 ATOM 32 N N . TYR A ? 5 ? -41.214 65.586 63.912 1.0 26.12 5 P 1 ATOM 33 C CA . TYR A ? 5 ? -39.957 65.724 64.624 1.0 27.28 5 P 1 ATOM 34 C C . TYR A ? 5 ? -38.800 65.357 63.729 1.0 24.65 5 P 1 ATOM 35 O O . TYR A ? 5 ? -38.460 64.204 63.615 1.0 27.96 5 P 1 ATOM 36 C CB . TYR A ? 5 ? -39.927 64.798 65.828 1.0 25.85 5 P 1 ATOM 37 C CG . TYR A ? 5 ? -39.009 65.242 66.937 1.0 26.81 5 P 1 ATOM 38 C CD1 . TYR A ? 5 ? -38.334 66.449 66.874 1.0 27.65 5 P 1 ATOM 39 C CD2 . TYR A ? 5 ? -38.823 64.451 68.052 1.0 27.2 5 P 1 ATOM 40 C CE1 . TYR A ? 5 ? -37.504 66.854 67.903 1.0 26.69 5 P 1 ATOM 41 C CE2 . TYR A ? 5 ? -37.996 64.842 69.072 1.0 23.82 5 P 1 ATOM 42 C CZ . TYR A ? 5 ? -37.340 66.042 68.993 1.0 23.93 5 P 1 ATOM 43 O OH . TYR A ? 5 ? -36.525 66.417 70.017 1.0 30.83 5 P 1 ATOM 44 N N . LEU A ? 6 ? -38.184 66.349 63.113 1.0 23.17 6 P 1 ATOM 45 C CA . LEU A ? 6 ? -37.040 66.111 62.257 1.0 27.96 6 P 1 ATOM 46 C C . LEU A ? 6 ? -35.765 65.953 63.085 1.0 30.54 6 P 1 ATOM 47 O O . LEU A ? 6 ? -35.035 66.901 63.291 1.0 35.79 6 P 1 ATOM 48 C CB . LEU A ? 6 ? -36.907 67.256 61.267 1.0 29.75 6 P 1 ATOM 49 C CG . LEU A ? 6 ? -38.110 67.431 60.349 1.0 28.62 6 P 1 ATOM 50 C CD1 . LEU A ? 6 ? -37.764 68.366 59.211 1.0 32.47 6 P 1 ATOM 51 C CD2 . LEU A ? 6 ? -38.581 66.086 59.830 1.0 26.16 6 P 1 ATOM 52 N N . LEU A ? 7 ? -35.517 64.740 63.558 1.0 31.19 7 P 1 ATOM 53 C CA . LEU A ? 7 ? -34.504 64.490 64.575 1.0 26.49 7 P 1 ATOM 54 C C . LEU A ? 7 ? -33.202 63.869 64.077 1.0 29.97 7 P 1 ATOM 55 O O . LEU A ? 7 ? -33.184 62.743 63.595 1.0 30.12 7 P 1 ATOM 56 C CB . LEU A ? 7 ? -35.093 63.605 65.657 1.0 24.85 7 P 1 ATOM 57 C CG . LEU A ? 7 ? -34.200 63.240 66.826 1.0 23.73 7 P 1 ATOM 58 C CD1 . LEU A ? 7 ? -33.814 64.494 67.586 1.0 26.89 7 P 1 ATOM 59 C CD2 . LEU A ? 7 ? -34.944 62.269 67.716 1.0 23.86 7 P 1 ATOM 60 N N . PRO A ? 8 ? -32.110 64.603 64.230 1.0 27.98 8 P 1 ATOM 61 C CA . PRO A ? 8 ? -30.781 64.101 63.863 1.0 23.74 8 P 1 ATOM 62 C C . PRO A ? 8 ? -30.255 63.116 64.910 1.0 23.29 8 P 1 ATOM 63 O O . PRO A ? 8 ? -30.594 63.253 66.072 1.0 22.16 8 P 1 ATOM 64 C CB . PRO A ? 8 ? -29.924 65.359 63.849 1.0 23.6 8 P 1 ATOM 65 C CG . PRO A ? 8 ? -30.855 66.476 63.627 1.0 28.85 8 P 1 ATOM 66 C CD . PRO A ? 8 ? -32.214 66.062 64.120 1.0 31.19 8 P 1 ATOM 67 N N . VAL A ? 9 ? -29.451 62.140 64.498 1.0 23.77 9 P 1 ATOM 68 C CA . VAL A ? 9 ? -28.884 61.165 65.428 1.0 22.77 9 P 1 ATOM 69 C C . VAL A ? 9 ? -27.440 61.512 65.761 1.0 26.06 9 P 1 ATOM 70 O O . VAL A ? 9 ? -26.899 62.501 65.269 1.0 28.5 9 P 1 ATOM 71 C CB . VAL A ? 9 ? -28.924 59.727 64.869 1.0 24.66 9 P 1 ATOM 72 C CG1 . VAL A ? 9 ? -30.363 59.279 64.635 1.0 22.02 9 P 1 ATOM 73 C CG2 . VAL A ? 9 ? -28.081 59.617 63.598 1.0 22.02 9 P 1 ATOM 74 O OXT . VAL A ? 9 ? -26.784 60.809 66.529 1.0 27.9 9 P 1 #