data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 CYS 0 3 LEU 0 4 THR 0 5 ILE 0 6 PHE 0 7 TYR 0 8 VAL 0 9 ILE 0 10 HIS 0 11 LEU 0 12 LEU 0 13 ALA 0 14 ILE 0 15 PHE 0 16 SER 0 17 ASP 0 18 SER 0 19 ASN 0 20 GLU 0 21 TRP 0 22 VAL 0 23 ILE 0 24 THR 0 25 CYS 0 26 ASN 0 27 LYS 0 28 THR 0 29 THR 0 30 CYS 0 31 CYS 0 32 ASP 0 33 GLU 0 34 VAL 0 35 GLY 0 36 ASN 0 37 SER 0 38 LYS 0 39 ILE 0 40 CYS 0 41 CYS 0 42 VAL 0 43 GLY 0 44 ASN 0 45 ASP 0 46 CYS 0 47 LYS 0 48 ASP 0 49 ILE 0 50 ILE 0 51 LYS 0 52 PRO 0 53 ARG 0 54 ARG 0 55 SER 0 56 GLY 0 57 GLU 0 58 ASP 0 59 ASP 0 60 VAL 0 61 ASP 0 62 LEU 0 63 TYR 0 64 LYS 0 65 ARG 0 66 LYS 0 67 ILE 0 68 GLY 0 69 MET 0 70 ALA 0 71 TYR 0 72 LYS 0 73 LEU 0 74 GLY 0 75 GLU 0 76 ILE 0 77 ARG 0 78 LYS 0 79 LEU 0 80 LEU 0 81 LEU 0 82 PHE 0 83 LEU 0 84 VAL 0 85 LEU # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # 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 . MET A 0 1 . -27.724 8.212 18.768 1.00 54.05 1 A 1 ATOM 2 C CA . MET A 0 1 . -26.920 7.070 19.264 1.00 54.05 1 A 1 ATOM 3 C C . MET A 0 1 . -27.005 5.834 18.359 1.00 54.05 1 A 1 ATOM 4 C CB . MET A 0 1 . -27.228 6.754 20.736 1.00 54.05 1 A 1 ATOM 5 O O . MET A 0 1 . -26.006 5.146 18.245 1.00 54.05 1 A 1 ATOM 6 C CG . MET A 0 1 . -26.931 7.970 21.628 1.00 54.05 1 A 1 ATOM 7 S SD . MET A 0 1 . -27.229 7.702 23.389 1.00 54.05 1 A 1 ATOM 8 C CE . MET A 0 1 . -25.529 7.516 23.999 1.00 54.05 1 A 1 ATOM 9 N N . CYS A 0 2 . -28.117 5.562 17.653 1.00 59.89 2 A 1 ATOM 10 C CA . CYS A 0 2 . -28.213 4.383 16.766 1.00 59.89 2 A 1 ATOM 11 C C . CYS A 0 2 . -27.369 4.470 15.474 1.00 59.89 2 A 1 ATOM 12 C CB . CYS A 0 2 . -29.690 4.108 16.442 1.00 59.89 2 A 1 ATOM 13 O O . CYS A 0 2 . -26.767 3.479 15.077 1.00 59.89 2 A 1 ATOM 14 S SG . CYS A 0 2 . -30.574 3.623 17.953 1.00 59.89 2 A 1 ATOM 15 N N . LEU A 0 3 . -27.268 5.646 14.839 1.00 61.52 3 A 1 ATOM 16 C CA . LEU A 0 3 . -26.526 5.815 13.573 1.00 61.52 3 A 1 ATOM 17 C C . LEU A 0 3 . -25.023 5.522 13.702 1.00 61.52 3 A 1 ATOM 18 C CB . LEU A 0 3 . -26.742 7.249 13.051 1.00 61.52 3 A 1 ATOM 19 O O . LEU A 0 3 . -24.434 4.902 12.822 1.00 61.52 3 A 1 ATOM 20 C CG . LEU A 0 3 . -28.073 7.430 12.298 1.00 61.52 3 A 1 ATOM 21 C CD1 . LEU A 0 3 . -28.447 8.910 12.243 1.00 61.52 3 A 1 ATOM 22 C CD2 . LEU A 0 3 . -27.976 6.901 10.867 1.00 61.52 3 A 1 ATOM 23 N N . THR A 0 4 . -24.411 5.929 14.816 1.00 57.75 4 A 1 ATOM 24 C CA . THR A 0 4 . -22.987 5.689 15.084 1.00 57.75 4 A 1 ATOM 25 C C . THR A 0 4 . -22.684 4.202 15.242 1.00 57.75 4 A 1 ATOM 26 C CB . THR A 0 4 . -22.530 6.466 16.332 1.00 57.75 4 A 1 ATOM 27 O O . THR A 0 4 . -21.676 3.735 14.726 1.00 57.75 4 A 1 ATOM 28 C CG2 . THR A 0 4 . -22.282 7.934 15.991 1.00 57.75 4 A 1 ATOM 29 O OG1 . THR A 0 4 . -23.531 6.454 17.336 1.00 57.75 4 A 1 ATOM 30 N N . ILE A 0 5 . -23.580 3.441 15.879 1.00 60.42 5 A 1 ATOM 31 C CA . ILE A 0 5 . -23.404 1.995 16.082 1.00 60.42 5 A 1 ATOM 32 C C . ILE A 0 5 . -23.473 1.252 14.739 1.00 60.42 5 A 1 ATOM 33 C CB . ILE A 0 5 . -24.429 1.464 17.111 1.00 60.42 5 A 1 ATOM 34 O O . ILE A 0 5 . -22.607 0.428 14.459 1.00 60.42 5 A 1 ATOM 35 C CG1 . ILE A 0 5 . -24.238 2.156 18.483 1.00 60.42 5 A 1 ATOM 36 C CG2 . ILE A 0 5 . -24.293 -0.061 17.267 1.00 60.42 5 A 1 ATOM 37 C CD1 . ILE A 0 5 . -25.370 1.883 19.482 1.00 60.42 5 A 1 ATOM 38 N N . PHE A 0 6 . -24.431 1.592 13.866 1.00 61.81 6 A 1 ATOM 39 C CA . PHE A 0 6 . -24.524 0.992 12.526 1.00 61.81 6 A 1 ATOM 40 C C . PHE A 0 6 . -23.266 1.231 11.686 1.00 61.81 6 A 1 ATOM 41 C CB . PHE A 0 6 . -25.761 1.527 11.788 1.00 61.81 6 A 1 ATOM 42 O O . PHE A 0 6 . -22.794 0.319 11.010 1.00 61.81 6 A 1 ATOM 43 C CG . PHE A 0 6 . -26.986 0.662 11.986 1.00 61.81 6 A 1 ATOM 44 C CD1 . PHE A 0 6 . -27.155 -0.492 11.196 1.00 61.81 6 A 1 ATOM 45 C CD2 . PHE A 0 6 . -27.946 0.987 12.961 1.00 61.81 6 A 1 ATOM 46 C CE1 . PHE A 0 6 . -28.278 -1.315 11.385 1.00 61.81 6 A 1 ATOM 47 C CE2 . PHE A 0 6 . -29.068 0.163 13.151 1.00 61.81 6 A 1 ATOM 48 C CZ . PHE A 0 6 . -29.234 -0.989 12.362 1.00 61.81 6 A 1 ATOM 49 N N . TYR A 0 7 . -22.690 2.434 11.757 1.00 62.94 7 A 1 ATOM 50 C CA . TYR A 0 7 . -21.466 2.752 11.025 1.00 62.94 7 A 1 ATOM 51 C C . TYR A 0 7 . -20.269 1.923 11.515 1.00 62.94 7 A 1 ATOM 52 C CB . TYR A 0 7 . -21.199 4.257 11.128 1.00 62.94 7 A 1 ATOM 53 O O . TYR A 0 7 . -19.508 1.399 10.704 1.00 62.94 7 A 1 ATOM 54 C CG . TYR A 0 7 . -20.200 4.750 10.104 1.00 62.94 7 A 1 ATOM 55 C CD1 . TYR A 0 7 . -18.868 5.017 10.472 1.00 62.94 7 A 1 ATOM 56 C CD2 . TYR A 0 7 . -20.614 4.937 8.770 1.00 62.94 7 A 1 ATOM 57 C CE1 . TYR A 0 7 . -17.952 5.483 9.508 1.00 62.94 7 A 1 ATOM 58 C CE2 . TYR A 0 7 . -19.694 5.380 7.801 1.00 62.94 7 A 1 ATOM 59 O OH . TYR A 0 7 . -17.475 6.073 7.229 1.00 62.94 7 A 1 ATOM 60 C CZ . TYR A 0 7 . -18.361 5.648 8.167 1.00 62.94 7 A 1 ATOM 61 N N . VAL A 0 8 . -20.141 1.733 12.833 1.00 61.88 8 A 1 ATOM 62 C CA . VAL A 0 8 . -19.082 0.899 13.426 1.00 61.88 8 A 1 ATOM 63 C C . VAL A 0 8 . -19.254 -0.574 13.047 1.00 61.88 8 A 1 ATOM 64 C CB . VAL A 0 8 . -19.021 1.087 14.954 1.00 61.88 8 A 1 ATOM 65 O O . VAL A 0 8 . -18.274 -1.211 12.673 1.00 61.88 8 A 1 ATOM 66 C CG1 . VAL A 0 8 . -17.989 0.162 15.608 1.00 61.88 8 A 1 ATOM 67 C CG2 . VAL A 0 8 . -18.611 2.523 15.313 1.00 61.88 8 A 1 ATOM 68 N N . ILE A 0 9 . -20.480 -1.109 13.061 1.00 62.29 9 A 1 ATOM 69 C CA . ILE A 0 9 . -20.749 -2.498 12.648 1.00 62.29 9 A 1 ATOM 70 C C . ILE A 0 9 . -20.429 -2.701 11.163 1.00 62.29 9 A 1 ATOM 71 C CB . ILE A 0 9 . -22.203 -2.910 12.974 1.00 62.29 9 A 1 ATOM 72 O O . ILE A 0 9 . -19.804 -3.697 10.812 1.00 62.29 9 A 1 ATOM 73 C CG1 . ILE A 0 9 . -22.429 -2.926 14.503 1.00 62.29 9 A 1 ATOM 74 C CG2 . ILE A 0 9 . -22.530 -4.302 12.393 1.00 62.29 9 A 1 ATOM 75 C CD1 . ILE A 0 9 . -23.906 -3.040 14.904 1.00 62.29 9 A 1 ATOM 76 N N . HIS A 0 10 . -20.803 -1.762 10.286 1.00 61.51 10 A 1 ATOM 77 C CA . HIS A 0 10 . -20.466 -1.857 8.862 1.00 61.51 10 A 1 ATOM 78 C C . HIS A 0 10 . -18.959 -1.795 8.618 1.00 61.51 10 A 1 ATOM 79 C CB . HIS A 0 10 . -21.186 -0.767 8.060 1.00 61.51 10 A 1 ATOM 80 O O . HIS A 0 10 . -18.448 -2.589 7.830 1.00 61.51 10 A 1 ATOM 81 C CG . HIS A 0 10 . -22.616 -1.121 7.759 1.00 61.51 10 A 1 ATOM 82 C CD2 . HIS A 0 10 . -23.721 -0.355 8.010 1.00 61.51 10 A 1 ATOM 83 N ND1 . HIS A 0 10 . -23.052 -2.278 7.153 1.00 61.51 10 A 1 ATOM 84 C CE1 . HIS A 0 10 . -24.389 -2.213 7.049 1.00 61.51 10 A 1 ATOM 85 N NE2 . HIS A 0 10 . -24.843 -1.056 7.555 1.00 61.51 10 A 1 ATOM 86 N N . LEU A 0 11 . -18.242 -0.910 9.318 1.00 62.04 11 A 1 ATOM 87 C CA . LEU A 0 11 . -16.781 -0.888 9.278 1.00 62.04 11 A 1 ATOM 88 C C . LEU A 0 11 . -16.210 -2.235 9.734 1.00 62.04 11 A 1 ATOM 89 C CB . LEU A 0 11 . -16.252 0.267 10.145 1.00 62.04 11 A 1 ATOM 90 O O . LEU A 0 11 . -15.415 -2.828 9.014 1.00 62.04 11 A 1 ATOM 91 C CG . LEU A 0 11 . -16.376 1.655 9.494 1.00 62.04 11 A 1 ATOM 92 C CD1 . LEU A 0 11 . -16.105 2.713 10.562 1.00 62.04 11 A 1 ATOM 93 C CD2 . LEU A 0 11 . -15.362 1.863 8.365 1.00 62.04 11 A 1 ATOM 94 N N . LEU A 0 12 . -16.660 -2.764 10.877 1.00 61.35 12 A 1 ATOM 95 C CA . LEU A 0 12 . -16.220 -4.067 11.381 1.00 61.35 12 A 1 ATOM 96 C C . LEU A 0 12 . -16.513 -5.206 10.401 1.00 61.35 12 A 1 ATOM 97 C CB . LEU A 0 12 . -16.881 -4.361 12.738 1.00 61.35 12 A 1 ATOM 98 O O . LEU A 0 12 . -15.649 -6.052 10.219 1.00 61.35 12 A 1 ATOM 99 C CG . LEU A 0 12 . -16.287 -3.590 13.927 1.00 61.35 12 A 1 ATOM 100 C CD1 . LEU A 0 12 . -17.158 -3.843 15.155 1.00 61.35 12 A 1 ATOM 101 C CD2 . LEU A 0 12 . -14.860 -4.043 14.256 1.00 61.35 12 A 1 ATOM 102 N N . ALA A 0 13 . -17.677 -5.224 9.749 1.00 58.22 13 A 1 ATOM 103 C CA . ALA A 0 13 . -18.034 -6.249 8.769 1.00 58.22 13 A 1 ATOM 104 C C . ALA A 0 13 . -17.105 -6.212 7.547 1.00 58.22 13 A 1 ATOM 105 C CB . ALA A 0 13 . -19.506 -6.072 8.379 1.00 58.22 13 A 1 ATOM 106 O O . ALA A 0 13 . -16.552 -7.242 7.173 1.00 58.22 13 A 1 ATOM 107 N N . ILE A 0 14 . -16.847 -5.021 6.991 1.00 58.34 14 A 1 ATOM 108 C CA . ILE A 0 14 . -15.894 -4.835 5.881 1.00 58.34 14 A 1 ATOM 109 C C . ILE A 0 14 . -14.482 -5.289 6.291 1.00 58.34 14 A 1 ATOM 110 C CB . ILE A 0 14 . -15.913 -3.356 5.420 1.00 58.34 14 A 1 ATOM 111 O O . ILE A 0 14 . -13.731 -5.820 5.478 1.00 58.34 14 A 1 ATOM 112 C CG1 . ILE A 0 14 . -17.292 -2.979 4.827 1.00 58.34 14 A 1 ATOM 113 C CG2 . ILE A 0 14 . -14.818 -3.075 4.371 1.00 58.34 14 A 1 ATOM 114 C CD1 . ILE A 0 14 . -17.522 -1.465 4.723 1.00 58.34 14 A 1 ATOM 115 N N . PHE A 0 15 . -14.129 -5.105 7.563 1.00 54.37 15 A 1 ATOM 116 C CA . PHE A 0 15 . -12.822 -5.439 8.123 1.00 54.37 15 A 1 ATOM 117 C C . PHE A 0 15 . -12.690 -6.869 8.670 1.00 54.37 15 A 1 ATOM 118 C CB . PHE A 0 15 . -12.531 -4.392 9.205 1.00 54.37 15 A 1 ATOM 119 O O . PHE A 0 15 . -11.575 -7.312 8.957 1.00 54.37 15 A 1 ATOM 120 C CG . PHE A 0 15 . -12.258 -2.975 8.700 1.00 54.37 15 A 1 ATOM 121 C CD1 . PHE A 0 15 . -11.523 -2.740 7.521 1.00 54.37 15 A 1 ATOM 122 C CD2 . PHE A 0 15 . -12.726 -1.867 9.428 1.00 54.37 15 A 1 ATOM 123 C CE1 . PHE A 0 15 . -11.207 -1.434 7.110 1.00 54.37 15 A 1 ATOM 124 C CE2 . PHE A 0 15 . -12.472 -0.558 8.983 1.00 54.37 15 A 1 ATOM 125 C CZ . PHE A 0 15 . -11.697 -0.338 7.834 1.00 54.37 15 A 1 ATOM 126 N N . SER A 0 16 . -13.792 -7.601 8.848 1.00 52.48 16 A 1 ATOM 127 C CA . SER A 0 16 . -13.771 -8.931 9.461 1.00 52.48 16 A 1 ATOM 128 C C . SER A 0 16 . -13.558 -10.058 8.454 1.00 52.48 16 A 1 ATOM 129 C CB . SER A 0 16 . -15.017 -9.183 10.313 1.00 52.48 16 A 1 ATOM 130 O O . SER A 0 16 . -13.065 -11.109 8.858 1.00 52.48 16 A 1 ATOM 131 O OG . SER A 0 16 . -14.775 -10.296 11.156 1.00 52.48 16 A 1 ATOM 132 N N . ASP A 0 17 . -13.855 -9.843 7.170 1.00 50.39 17 A 1 ATOM 133 C CA . ASP A 0 17 . -13.759 -10.880 6.127 1.00 50.39 17 A 1 ATOM 134 C C . ASP A 0 17 . -12.319 -11.269 5.742 1.00 50.39 17 A 1 ATOM 135 C CB . ASP A 0 17 . -14.571 -10.446 4.886 1.00 50.39 17 A 1 ATOM 136 O O . ASP A 0 17 . -12.100 -12.143 4.910 1.00 50.39 17 A 1 ATOM 137 C CG . ASP A 0 17 . -16.019 -10.951 4.891 1.00 50.39 17 A 1 ATOM 138 O OD1 . ASP A 0 17 . -16.272 -12.024 5.485 1.00 50.39 17 A 1 ATOM 139 O OD2 . ASP A 0 17 . -16.861 -10.271 4.263 1.00 50.39 17 A 1 ATOM 140 N N . SER A 0 18 . -11.302 -10.643 6.336 1.00 51.71 18 A 1 ATOM 141 C CA . SER A 0 18 . -9.900 -10.889 5.993 1.00 51.71 18 A 1 ATOM 142 C C . SER A 0 18 . -9.123 -11.378 7.218 1.00 51.71 18 A 1 ATOM 143 C CB . SER A 0 18 . -9.327 -9.620 5.359 1.00 51.71 18 A 1 ATOM 144 O O . SER A 0 18 . -8.770 -10.597 8.103 1.00 51.71 18 A 1 ATOM 145 O OG . SER A 0 18 . -10.054 -9.311 4.182 1.00 51.71 18 A 1 ATOM 146 N N . ASN A 0 19 . -8.864 -12.691 7.278 1.00 52.87 19 A 1 ATOM 147 C CA . ASN A 0 19 . -7.959 -13.315 8.263 1.00 52.87 19 A 1 ATOM 148 C C . ASN A 0 19 . -6.521 -12.785 8.145 1.00 52.87 19 A 1 ATOM 149 C CB . ASN A 0 19 . -7.974 -14.844 8.067 1.00 52.87 19 A 1 ATOM 150 O O . ASN A 0 19 . -5.764 -12.799 9.112 1.00 52.87 19 A 1 ATOM 151 C CG . ASN A 0 19 . -9.202 -15.517 8.652 1.00 52.87 19 A 1 ATOM 152 N ND2 . ASN A 0 19 . -9.493 -16.728 8.241 1.00 52.87 19 A 1 ATOM 153 O OD1 . ASN A 0 19 . -9.902 -14.984 9.494 1.00 52.87 19 A 1 ATOM 154 N N . GLU A 0 20 . -6.167 -12.278 6.970 1.00 58.17 20 A 1 ATOM 155 C CA . GLU A 0 20 . -4.910 -11.612 6.682 1.00 58.17 20 A 1 ATOM 156 C C . GLU A 0 20 . -5.254 -10.304 5.972 1.00 58.17 20 A 1 ATOM 157 C CB . GLU A 0 20 . -4.054 -12.561 5.838 1.00 58.17 20 A 1 ATOM 158 O O . GLU A 0 20 . -6.009 -10.302 5.001 1.00 58.17 20 A 1 ATOM 159 C CG . GLU A 0 20 . -2.587 -12.131 5.767 1.00 58.17 20 A 1 ATOM 160 C CD . GLU A 0 20 . -1.706 -13.221 5.136 1.00 58.17 20 A 1 ATOM 161 O OE1 . GLU A 0 20 . -0.496 -13.226 5.455 1.00 58.17 20 A 1 ATOM 162 O OE2 . GLU A 0 20 . -2.237 -14.026 4.337 1.00 58.17 20 A 1 ATOM 163 N N . TRP A 0 21 . -4.776 -9.174 6.489 1.00 61.10 21 A 1 ATOM 164 C CA . TRP A 0 21 . -5.085 -7.863 5.926 1.00 61.10 21 A 1 ATOM 165 C C . TRP A 0 21 . -4.358 -7.674 4.607 1.00 61.10 21 A 1 ATOM 166 C CB . TRP A 0 21 . -4.739 -6.776 6.931 1.00 61.10 21 A 1 ATOM 167 O O . TRP A 0 21 . -3.260 -7.125 4.548 1.00 61.10 21 A 1 ATOM 168 C CG . TRP A 0 21 . -5.691 -6.751 8.064 1.00 61.10 21 A 1 ATOM 169 C CD1 . TRP A 0 21 . -5.537 -7.367 9.255 1.00 61.10 21 A 1 ATOM 170 C CD2 . TRP A 0 21 . -6.956 -6.053 8.113 1.00 61.10 21 A 1 ATOM 171 C CE2 . TRP A 0 21 . -7.464 -6.192 9.427 1.00 61.10 21 A 1 ATOM 172 C CE3 . TRP A 0 21 . -7.661 -5.230 7.215 1.00 61.10 21 A 1 ATOM 173 N NE1 . TRP A 0 21 . -6.618 -7.079 10.056 1.00 61.10 21 A 1 ATOM 174 C CH2 . TRP A 0 21 . -9.152 -4.525 8.998 1.00 61.10 21 A 1 ATOM 175 C CZ2 . TRP A 0 21 . -8.530 -5.426 9.867 1.00 61.10 21 A 1 ATOM 176 C CZ3 . TRP A 0 21 . -8.747 -4.465 7.656 1.00 61.10 21 A 1 ATOM 177 N N . VAL A 0 22 . -4.970 -8.148 3.530 1.00 62.26 22 A 1 ATOM 178 C CA . VAL A 0 22 . -4.412 -7.972 2.199 1.00 62.26 22 A 1 ATOM 179 C C . VAL A 0 22 . -4.769 -6.575 1.715 1.00 62.26 22 A 1 ATOM 180 C CB . VAL A 0 22 . -4.848 -9.076 1.226 1.00 62.26 22 A 1 ATOM 181 O O . VAL A 0 22 . -5.936 -6.229 1.525 1.00 62.26 22 A 1 ATOM 182 C CG1 . VAL A 0 22 . -4.056 -8.947 -0.083 1.00 62.26 22 A 1 ATOM 183 C CG2 . VAL A 0 22 . -4.563 -10.473 1.793 1.00 62.26 22 A 1 ATOM 184 N N . ILE A 0 23 . -3.740 -5.763 1.488 1.00 68.94 23 A 1 ATOM 185 C CA . ILE A 0 23 . -3.892 -4.470 0.828 1.00 68.94 23 A 1 ATOM 186 C C . ILE A 0 23 . -4.274 -4.725 -0.631 1.00 68.94 23 A 1 ATOM 187 C CB . ILE A 0 23 . -2.608 -3.632 0.970 1.00 68.94 23 A 1 ATOM 188 O O . ILE A 0 23 . -3.443 -5.135 -1.443 1.00 68.94 23 A 1 ATOM 189 C CG1 . ILE A 0 23 . -2.229 -3.352 2.440 1.00 68.94 23 A 1 ATOM 190 C CG2 . ILE A 0 23 . -2.752 -2.306 0.218 1.00 68.94 23 A 1 ATOM 191 C CD1 . ILE A 0 23 . -3.256 -2.539 3.238 1.00 68.94 23 A 1 ATOM 192 N N . THR A 0 24 . -5.540 -4.480 -0.961 1.00 70.37 24 A 1 ATOM 193 C CA . THR A 0 24 . -6.080 -4.627 -2.316 1.00 70.37 24 A 1 ATOM 194 C C . THR A 0 24 . -6.708 -3.320 -2.775 1.00 70.37 24 A 1 ATOM 195 C CB . THR A 0 24 . -7.106 -5.768 -2.432 1.00 70.37 24 A 1 ATOM 196 O O . THR A 0 24 . -7.281 -2.584 -1.983 1.00 70.37 24 A 1 ATOM 197 C CG2 . THR A 0 24 . -6.586 -7.117 -1.949 1.00 70.37 24 A 1 ATOM 198 O OG1 . THR A 0 24 . -8.284 -5.483 -1.719 1.00 70.37 24 A 1 ATOM 199 N N . CYS A 0 25 . -6.652 -3.030 -4.072 1.00 72.77 25 A 1 ATOM 200 C CA . CYS A 0 25 . -7.268 -1.822 -4.627 1.00 72.77 25 A 1 ATOM 201 C C . CYS A 0 25 . -8.722 -2.013 -5.067 1.00 72.77 25 A 1 ATOM 202 C CB . CYS A 0 25 . -6.361 -1.281 -5.726 1.00 72.77 25 A 1 ATOM 203 O O . CYS A 0 25 . -9.300 -1.123 -5.680 1.00 72.77 25 A 1 ATOM 204 S SG . CYS A 0 25 . -4.839 -0.620 -5.019 1.00 72.77 25 A 1 ATOM 205 N N . ASN A 0 26 . -9.328 -3.159 -4.741 1.00 66.47 26 A 1 ATOM 206 C CA . ASN A 0 26 . -10.640 -3.529 -5.264 1.00 66.47 26 A 1 ATOM 207 C C . ASN A 0 26 . -11.778 -2.700 -4.634 1.00 66.47 26 A 1 ATOM 208 C CB . ASN A 0 26 . -10.810 -5.056 -5.092 1.00 66.47 26 A 1 ATOM 209 O O . ASN A 0 26 . -12.781 -2.453 -5.295 1.00 66.47 26 A 1 ATOM 210 C CG . ASN A 0 26 . -11.524 -5.730 -6.256 1.00 66.47 26 A 1 ATOM 211 N ND2 . ASN A 0 26 . -11.689 -7.030 -6.195 1.00 66.47 26 A 1 ATOM 212 O OD1 . ASN A 0 26 . -11.918 -5.133 -7.238 1.00 66.47 26 A 1 ATOM 213 N N . LYS A 0 27 . -11.624 -2.254 -3.372 1.00 59.25 27 A 1 ATOM 214 C CA . LYS A 0 27 . -12.582 -1.367 -2.670 1.00 59.25 27 A 1 ATOM 215 C C . LYS A 0 27 . -11.976 -0.436 -1.602 1.00 59.25 27 A 1 ATOM 216 C CB . LYS A 0 27 . -13.732 -2.193 -2.044 1.00 59.25 27 A 1 ATOM 217 O O . LYS A 0 27 . -12.658 0.506 -1.211 1.00 59.25 27 A 1 ATOM 218 C CG . LYS A 0 27 . -14.636 -2.856 -3.098 1.00 59.25 27 A 1 ATOM 219 C CD . LYS A 0 27 . -15.910 -3.479 -2.531 1.00 59.25 27 A 1 ATOM 220 C CE . LYS A 0 27 . -16.699 -4.094 -3.696 1.00 59.25 27 A 1 ATOM 221 N NZ . LYS A 0 27 . -17.892 -4.831 -3.213 1.00 59.25 27 A 1 ATOM 222 N N . THR A 0 28 . -10.736 -0.642 -1.132 1.00 58.79 28 A 1 ATOM 223 C CA . THR A 0 28 . -10.204 0.107 0.030 1.00 58.79 28 A 1 ATOM 224 C C . THR A 0 28 . -8.675 0.237 0.081 1.00 58.79 28 A 1 ATOM 225 C CB . THR A 0 28 . -10.669 -0.499 1.377 1.00 58.79 28 A 1 ATOM 226 O O . THR A 0 28 . -7.946 -0.742 0.054 1.00 58.79 28 A 1 ATOM 227 C CG2 . THR A 0 28 . -11.896 0.215 1.944 1.00 58.79 28 A 1 ATOM 228 O OG1 . THR A 0 28 . -11.002 -1.864 1.251 1.00 58.79 28 A 1 ATOM 229 N N . THR A 0 29 . -8.233 1.487 0.263 1.00 63.70 29 A 1 ATOM 230 C CA . THR A 0 29 . -7.065 1.958 1.040 1.00 63.70 29 A 1 ATOM 231 C C . THR A 0 29 . -5.717 1.266 0.842 1.00 63.70 29 A 1 ATOM 232 C CB . THR A 0 29 . -7.394 2.087 2.540 1.00 63.70 29 A 1 ATOM 233 O O . THR A 0 29 . -5.115 0.779 1.797 1.00 63.70 29 A 1 ATOM 234 C CG2 . THR A 0 29 . -8.561 3.042 2.794 1.00 63.70 29 A 1 ATOM 235 O OG1 . THR A 0 29 . -7.738 0.835 3.076 1.00 63.70 29 A 1 ATOM 236 N N . CYS A 0 30 . -5.161 1.349 -0.363 1.00 71.94 30 A 1 ATOM 237 C CA . CYS A 0 30 . -3.716 1.506 -0.459 1.00 71.94 30 A 1 ATOM 238 C C . CYS A 0 30 . -3.407 2.986 -0.654 1.00 71.94 30 A 1 ATOM 239 C CB . CYS A 0 30 . -3.153 0.641 -1.573 1.00 71.94 30 A 1 ATOM 240 O O . CYS A 0 30 . -3.495 3.467 -1.777 1.00 71.94 30 A 1 ATOM 241 S SG . CYS A 0 30 . -1.408 0.342 -1.260 1.00 71.94 30 A 1 ATOM 242 N N . CYS A 0 31 . -3.153 3.705 0.438 1.00 77.65 31 A 1 ATOM 243 C CA . CYS A 0 31 . -2.757 5.113 0.444 1.00 77.65 31 A 1 ATOM 244 C C . CYS A 0 31 . -1.776 5.325 1.599 1.00 77.65 31 A 1 ATOM 245 C CB . CYS A 0 31 . -3.974 6.041 0.569 1.00 77.65 31 A 1 ATOM 246 O O . CYS A 0 31 . -2.193 5.370 2.753 1.00 77.65 31 A 1 ATOM 247 S SG . CYS A 0 31 . -4.789 6.257 -1.043 1.00 77.65 31 A 1 ATOM 248 N N . ASP A 0 32 . -0.490 5.446 1.292 1.00 83.74 32 A 1 ATOM 249 C CA . ASP A 0 32 . 0.556 5.754 2.266 1.00 83.74 32 A 1 ATOM 250 C C . ASP A 0 32 . 1.475 6.835 1.698 1.00 83.74 32 A 1 ATOM 251 C CB . ASP A 0 32 . 1.304 4.473 2.658 1.00 83.74 32 A 1 ATOM 252 O O . ASP A 0 32 . 1.846 6.808 0.523 1.00 83.74 32 A 1 ATOM 253 C CG . ASP A 0 32 . 2.331 4.683 3.772 1.00 83.74 32 A 1 ATOM 254 O OD1 . ASP A 0 32 . 1.927 4.948 4.928 1.00 83.74 32 A 1 ATOM 255 O OD2 . ASP A 0 32 . 3.535 4.554 3.455 1.00 83.74 32 A 1 ATOM 256 N N . GLU A 0 33 . 1.843 7.800 2.532 1.00 84.70 33 A 1 ATOM 257 C CA . GLU A 0 33 . 2.646 8.955 2.139 1.00 84.70 33 A 1 ATOM 258 C C . GLU A 0 33 . 3.834 9.079 3.091 1.00 84.70 33 A 1 ATOM 259 C CB . GLU A 0 33 . 1.757 10.208 2.089 1.00 84.70 33 A 1 ATOM 260 O O . GLU A 0 33 . 3.661 9.178 4.305 1.00 84.70 33 A 1 ATOM 261 C CG . GLU A 0 33 . 2.448 11.376 1.371 1.00 84.70 33 A 1 ATOM 262 C CD . GLU A 0 33 . 1.501 12.558 1.089 1.00 84.70 33 A 1 ATOM 263 O OE1 . GLU A 0 33 . 1.986 13.706 1.084 1.00 84.70 33 A 1 ATOM 264 O OE2 . GLU A 0 33 . 0.305 12.325 0.757 1.00 84.70 33 A 1 ATOM 265 N N . VAL A 0 34 . 5.048 9.015 2.540 1.00 81.60 34 A 1 ATOM 266 C CA . VAL A 0 34 . 6.300 9.081 3.303 1.00 81.60 34 A 1 ATOM 267 C C . VAL A 0 34 . 7.286 9.951 2.534 1.00 81.60 34 A 1 ATOM 268 C CB . VAL A 0 34 . 6.882 7.676 3.577 1.00 81.60 34 A 1 ATOM 269 O O . VAL A 0 34 . 7.761 9.575 1.461 1.00 81.60 34 A 1 ATOM 270 C CG1 . VAL A 0 34 . 8.213 7.770 4.336 1.00 81.60 34 A 1 ATOM 271 C CG2 . VAL A 0 34 . 5.946 6.814 4.434 1.00 81.60 34 A 1 ATOM 272 N N . GLY A 0 35 . 7.606 11.131 3.067 1.00 84.93 35 A 1 ATOM 273 C CA . GLY A 0 35 . 8.474 12.092 2.379 1.00 84.93 35 A 1 ATOM 274 C C . GLY A 0 35 . 7.952 12.416 0.973 1.00 84.93 35 A 1 ATOM 275 O O . GLY A 0 35 . 6.810 12.828 0.821 1.00 84.93 35 A 1 ATOM 276 N N . ASN A 0 36 . 8.770 12.169 -0.055 1.00 83.25 36 A 1 ATOM 277 C CA . ASN A 0 36 . 8.427 12.423 -1.464 1.00 83.25 36 A 1 ATOM 278 C C . ASN A 0 36 . 7.853 11.195 -2.197 1.00 83.25 36 A 1 ATOM 279 C CB . ASN A 0 36 . 9.655 13.007 -2.189 1.00 83.25 36 A 1 ATOM 280 O O . ASN A 0 36 . 7.950 11.103 -3.419 1.00 83.25 36 A 1 ATOM 281 C CG . ASN A 0 36 . 10.033 14.397 -1.720 1.00 83.25 36 A 1 ATOM 282 N ND2 . ASN A 0 36 . 11.170 14.893 -2.146 1.00 83.25 36 A 1 ATOM 283 O OD1 . ASN A 0 36 . 9.337 15.064 -0.981 1.00 83.25 36 A 1 ATOM 284 N N . SER A 0 37 . 7.311 10.223 -1.465 1.00 82.95 37 A 1 ATOM 285 C CA . SER A 0 37 . 6.781 8.977 -2.023 1.00 82.95 37 A 1 ATOM 286 C C . SER A 0 37 . 5.325 8.799 -1.612 1.00 82.95 37 A 1 ATOM 287 C CB . SER A 0 37 . 7.661 7.801 -1.598 1.00 82.95 37 A 1 ATOM 288 O O . SER A 0 37 . 4.984 8.880 -0.426 1.00 82.95 37 A 1 ATOM 289 O OG . SER A 0 37 . 7.597 7.575 -0.208 1.00 82.95 37 A 1 ATOM 290 N N . LYS A 0 38 . 4.454 8.556 -2.592 1.00 86.93 38 A 1 ATOM 291 C CA . LYS A 0 38 . 3.015 8.435 -2.357 1.00 86.93 38 A 1 ATOM 292 C C . LYS A 0 38 . 2.505 7.178 -3.017 1.00 86.93 38 A 1 ATOM 293 C CB . LYS A 0 38 . 2.293 9.697 -2.821 1.00 86.93 38 A 1 ATOM 294 O O . LYS A 0 38 . 2.342 7.108 -4.229 1.00 86.93 38 A 1 ATOM 295 C CG . LYS A 0 38 . 0.798 9.642 -2.490 1.00 86.93 38 A 1 ATOM 296 C CD . LYS A 0 38 . 0.212 11.048 -2.595 1.00 86.93 38 A 1 ATOM 297 C CE . LYS A 0 38 . -1.237 11.066 -2.114 1.00 86.93 38 A 1 ATOM 298 N NZ . LYS A 0 38 . -1.490 12.325 -1.379 1.00 86.93 38 A 1 ATOM 299 N N . ILE A 0 39 . 2.262 6.177 -2.194 1.00 86.37 39 A 1 ATOM 300 C CA . ILE A 0 39 . 1.765 4.889 -2.630 1.00 86.37 39 A 1 ATOM 301 C C . ILE A 0 39 . 0.249 4.961 -2.629 1.00 86.37 39 A 1 ATOM 302 C CB . ILE A 0 39 . 2.361 3.791 -1.739 1.00 86.37 39 A 1 ATOM 303 O O . ILE A 0 39 . -0.348 5.100 -1.568 1.00 86.37 39 A 1 ATOM 304 C CG1 . ILE A 0 39 . 3.860 3.651 -2.051 1.00 86.37 39 A 1 ATOM 305 C CG2 . ILE A 0 39 . 1.654 2.467 -1.993 1.00 86.37 39 A 1 ATOM 306 C CD1 . ILE A 0 39 . 4.561 2.659 -1.125 1.00 86.37 39 A 1 ATOM 307 N N . CYS A 0 40 . -0.355 4.873 -3.811 1.00 84.30 40 A 1 ATOM 308 C CA . CYS A 0 40 . -1.797 4.898 -4.000 1.00 84.30 40 A 1 ATOM 309 C C . CYS A 0 40 . -2.265 3.745 -4.899 1.00 84.30 40 A 1 ATOM 310 C CB . CYS A 0 40 . -2.254 6.271 -4.512 1.00 84.30 40 A 1 ATOM 311 O O . CYS A 0 40 . -1.485 3.132 -5.635 1.00 84.30 40 A 1 ATOM 312 S SG . CYS A 0 40 . -2.176 7.500 -3.173 1.00 84.30 40 A 1 ATOM 313 N N . CYS A 0 41 . -3.563 3.459 -4.873 1.00 83.96 41 A 1 ATOM 314 C CA . CYS A 0 41 . -4.178 2.586 -5.865 1.00 83.96 41 A 1 ATOM 315 C C . CYS A 0 41 . -4.176 3.229 -7.256 1.00 83.96 41 A 1 ATOM 316 C CB . CYS A 0 41 . -5.587 2.215 -5.406 1.00 83.96 41 A 1 ATOM 317 O O . CYS A 0 41 . -4.717 4.316 -7.450 1.00 83.96 41 A 1 ATOM 318 S SG . CYS A 0 41 . -5.556 1.022 -4.054 1.00 83.96 41 A 1 ATOM 319 N N . VAL A 0 42 . -3.597 2.526 -8.228 1.00 81.81 42 A 1 ATOM 320 C CA . VAL A 0 42 . -3.635 2.849 -9.657 1.00 81.81 42 A 1 ATOM 321 C C . VAL A 0 42 . -4.253 1.656 -10.382 1.00 81.81 42 A 1 ATOM 322 C CB . VAL A 0 42 . -2.236 3.184 -10.206 1.00 81.81 42 A 1 ATOM 323 O O . VAL A 0 42 . -3.591 0.646 -10.634 1.00 81.81 42 A 1 ATOM 324 C CG1 . VAL A 0 42 . -2.328 3.605 -11.679 1.00 81.81 42 A 1 ATOM 325 C CG2 . VAL A 0 42 . -1.571 4.329 -9.436 1.00 81.81 42 A 1 ATOM 326 N N . GLY A 0 43 . -5.547 1.756 -10.690 1.00 81.71 43 A 1 ATOM 327 C CA . GLY A 0 43 . -6.336 0.606 -11.133 1.00 81.71 43 A 1 ATOM 328 C C . GLY A 0 43 . -6.439 -0.437 -10.018 1.00 81.71 43 A 1 ATOM 329 O O . GLY A 0 43 . -6.781 -0.100 -8.887 1.00 81.71 43 A 1 ATOM 330 N N . ASN A 0 44 . -6.097 -1.689 -10.326 1.00 81.77 44 A 1 ATOM 331 C CA . ASN A 0 44 . -6.158 -2.802 -9.369 1.00 81.77 44 A 1 ATOM 332 C C . ASN A 0 44 . -4.866 -2.998 -8.564 1.00 81.77 44 A 1 ATOM 333 C CB . ASN A 0 44 . -6.550 -4.082 -10.121 1.00 81.77 44 A 1 ATOM 334 O O . ASN A 0 44 . -4.836 -3.817 -7.645 1.00 81.77 44 A 1 ATOM 335 C CG . ASN A 0 44 . -7.961 -4.030 -10.675 1.00 81.77 44 A 1 ATOM 336 N ND2 . ASN A 0 44 . -8.299 -4.926 -11.569 1.00 81.77 44 A 1 ATOM 337 O OD1 . ASN A 0 44 . -8.775 -3.195 -10.330 1.00 81.77 44 A 1 ATOM 338 N N . ASP A 0 45 . -3.813 -2.245 -8.881 1.00 80.37 45 A 1 ATOM 339 C CA . ASP A 0 45 . -2.527 -2.355 -8.212 1.00 80.37 45 A 1 ATOM 340 C C . ASP A 0 45 . -2.277 -1.170 -7.303 1.00 80.37 45 A 1 ATOM 341 C CB . ASP A 0 45 . -1.381 -2.398 -9.215 1.00 80.37 45 A 1 ATOM 342 O O . ASP A 0 45 . -2.616 -0.030 -7.612 1.00 80.37 45 A 1 ATOM 343 C CG . ASP A 0 45 . -1.361 -3.646 -10.079 1.00 80.37 45 A 1 ATOM 344 O OD1 . ASP A 0 45 . -1.452 -4.746 -9.500 1.00 80.37 45 A 1 ATOM 345 O OD2 . ASP A 0 45 . -1.109 -3.448 -11.293 1.00 80.37 45 A 1 ATOM 346 N N . CYS A 0 46 . -1.553 -1.429 -6.225 1.00 81.72 46 A 1 ATOM 347 C CA . CYS A 0 46 . -1.008 -0.365 -5.416 1.00 81.72 46 A 1 ATOM 348 C C . CYS A 0 46 . 0.449 -0.074 -5.781 1.00 81.72 46 A 1 ATOM 349 C CB . CYS A 0 46 . -1.212 -0.725 -3.970 1.00 81.72 46 A 1 ATOM 350 O O . CYS A 0 46 . 1.284 -0.988 -5.732 1.00 81.72 46 A 1 ATOM 351 S SG . CYS A 0 46 . -0.602 0.644 -3.027 1.00 81.72 46 A 1 ATOM 352 N N . LYS A 0 47 . 0.715 1.183 -6.154 1.00 86.30 47 A 1 ATOM 353 C CA . LYS A 0 47 . 1.967 1.670 -6.746 1.00 86.30 47 A 1 ATOM 354 C C . LYS A 0 47 . 2.290 3.067 -6.218 1.00 86.30 47 A 1 ATOM 355 C CB . LYS A 0 47 . 1.823 1.712 -8.283 1.00 86.30 47 A 1 ATOM 356 O O . LYS A 0 47 . 1.395 3.799 -5.806 1.00 86.30 47 A 1 ATOM 357 C CG . LYS A 0 47 . 1.677 0.313 -8.905 1.00 86.30 47 A 1 ATOM 358 C CD . LYS A 0 47 . 1.387 0.343 -10.414 1.00 86.30 47 A 1 ATOM 359 C CE . LYS A 0 47 . 1.297 -1.111 -10.906 1.00 86.30 47 A 1 ATOM 360 N NZ . LYS A 0 47 . 0.411 -1.295 -12.081 1.00 86.30 47 A 1 ATOM 361 N N . ASP A 0 48 . 3.560 3.447 -6.258 1.00 84.85 48 A 1 ATOM 362 C CA . ASP A 0 48 . 3.949 4.835 -6.012 1.00 84.85 48 A 1 ATOM 363 C C . ASP A 0 48 . 3.606 5.704 -7.234 1.00 84.85 48 A 1 ATOM 364 C CB . ASP A 0 48 . 5.422 4.900 -5.613 1.00 84.85 48 A 1 ATOM 365 O O . ASP A 0 48 . 4.034 5.409 -8.353 1.00 84.85 48 A 1 ATOM 366 C CG . ASP A 0 48 . 5.832 6.273 -5.064 1.00 84.85 48 A 1 ATOM 367 O OD1 . ASP A 0 48 . 5.263 7.316 -5.464 1.00 84.85 48 A 1 ATOM 368 O OD2 . ASP A 0 48 . 6.709 6.305 -4.185 1.00 84.85 48 A 1 ATOM 369 N N . ILE A 0 49 . 2.795 6.744 -7.023 1.00 84.67 49 A 1 ATOM 370 C CA . ILE A 0 49 . 2.330 7.655 -8.079 1.00 84.67 49 A 1 ATOM 371 C C . ILE A 0 49 . 3.309 8.800 -8.351 1.00 84.67 49 A 1 ATOM 372 C CB . ILE A 0 49 . 0.912 8.197 -7.784 1.00 84.67 49 A 1 ATOM 373 O O . ILE A 0 49 . 3.239 9.415 -9.412 1.00 84.67 49 A 1 ATOM 374 C CG1 . ILE A 0 49 . 0.857 9.143 -6.563 1.00 84.67 49 A 1 ATOM 375 C CG2 . ILE A 0 49 . -0.073 7.024 -7.656 1.00 84.67 49 A 1 ATOM 376 C CD1 . ILE A 0 49 . -0.512 9.782 -6.322 1.00 84.67 49 A 1 ATOM 377 N N . ILE A 0 50 . 4.207 9.100 -7.408 1.00 83.76 50 A 1 ATOM 378 C CA . ILE A 0 50 . 5.203 10.174 -7.529 1.00 83.76 50 A 1 ATOM 379 C C . ILE A 0 50 . 6.523 9.596 -8.033 1.00 83.76 50 A 1 ATOM 380 C CB . ILE A 0 50 . 5.390 10.912 -6.181 1.00 83.76 50 A 1 ATOM 381 O O . ILE A 0 50 . 7.154 10.154 -8.933 1.00 83.76 50 A 1 ATOM 382 C CG1 . ILE A 0 50 . 4.061 11.546 -5.717 1.00 83.76 50 A 1 ATOM 383 C CG2 . ILE A 0 50 . 6.477 11.996 -6.309 1.00 83.76 50 A 1 ATOM 384 C CD1 . ILE A 0 50 . 4.125 12.219 -4.340 1.00 83.76 50 A 1 ATOM 385 N N . LYS A 0 51 . 6.938 8.461 -7.468 1.00 80.82 51 A 1 ATOM 386 C CA . LYS A 0 51 . 8.181 7.774 -7.810 1.00 80.82 51 A 1 ATOM 387 C C . LYS A 0 51 . 7.865 6.439 -8.496 1.00 80.82 51 A 1 ATOM 388 C CB . LYS A 0 51 . 9.038 7.636 -6.543 1.00 80.82 51 A 1 ATOM 389 O O . LYS A 0 51 . 7.886 5.397 -7.847 1.00 80.82 51 A 1 ATOM 390 C CG . LYS A 0 51 . 10.492 7.291 -6.896 1.00 80.82 51 A 1 ATOM 391 C CD . LYS A 0 51 . 11.268 6.919 -5.629 1.00 80.82 51 A 1 ATOM 392 C CE . LYS A 0 51 . 12.735 6.614 -5.953 1.00 80.82 51 A 1 ATOM 393 N NZ . LYS A 0 51 . 13.302 5.625 -5.004 1.00 80.82 51 A 1 ATOM 394 N N . PRO A 0 52 . 7.581 6.431 -9.812 1.00 72.14 52 A 1 ATOM 395 C CA . PRO A 0 52 . 7.350 5.183 -10.528 1.00 72.14 52 A 1 ATOM 396 C C . PRO A 0 52 . 8.580 4.277 -10.411 1.00 72.14 52 A 1 ATOM 397 C CB . PRO A 0 52 . 7.044 5.580 -11.976 1.00 72.14 52 A 1 ATOM 398 O O . PRO A 0 52 . 9.709 4.759 -10.518 1.00 72.14 52 A 1 ATOM 399 C CG . PRO A 0 52 . 7.704 6.951 -12.124 1.00 72.14 52 A 1 ATOM 400 C CD . PRO A 0 52 . 7.568 7.558 -10.730 1.00 72.14 52 A 1 ATOM 401 N N . ARG A 0 53 . 8.337 2.979 -10.196 1.00 71.65 53 A 1 ATOM 402 C CA . ARG A 0 53 . 9.341 1.916 -10.018 1.00 71.65 53 A 1 ATOM 403 C C . ARG A 0 53 . 10.477 2.039 -11.040 1.00 71.65 53 A 1 ATOM 404 C CB . ARG A 0 53 . 8.609 0.568 -10.155 1.00 71.65 53 A 1 ATOM 405 O O . ARG A 0 53 . 10.227 1.986 -12.244 1.00 71.65 53 A 1 ATOM 406 C CG . ARG A 0 53 . 9.474 -0.685 -9.932 1.00 71.65 53 A 1 ATOM 407 C CD . ARG A 0 53 . 8.626 -1.921 -10.269 1.00 71.65 53 A 1 ATOM 408 N NE . ARG A 0 53 . 9.392 -3.176 -10.203 1.00 71.65 53 A 1 ATOM 409 N NH1 . ARG A 0 53 . 7.649 -4.602 -10.663 1.00 71.65 53 A 1 ATOM 410 N NH2 . ARG A 0 53 . 9.597 -5.444 -10.036 1.00 71.65 53 A 1 ATOM 411 C CZ . ARG A 0 53 . 8.883 -4.393 -10.308 1.00 71.65 53 A 1 ATOM 412 N N . ARG A 0 54 . 11.716 2.171 -10.565 1.00 80.75 54 A 1 ATOM 413 C CA . ARG A 0 54 . 12.934 2.234 -11.393 1.00 80.75 54 A 1 ATOM 414 C C . ARG A 0 54 . 13.884 1.074 -11.125 1.00 80.75 54 A 1 ATOM 415 C CB . ARG A 0 54 . 13.672 3.563 -11.168 1.00 80.75 54 A 1 ATOM 416 O O . ARG A 0 54 . 14.684 0.748 -11.997 1.00 80.75 54 A 1 ATOM 417 C CG . ARG A 0 54 . 12.772 4.783 -11.379 1.00 80.75 54 A 1 ATOM 418 C CD . ARG A 0 54 . 13.588 6.070 -11.470 1.00 80.75 54 A 1 ATOM 419 N NE . ARG A 0 54 . 12.704 7.231 -11.668 1.00 80.75 54 A 1 ATOM 420 N NH1 . ARG A 0 54 . 14.342 8.833 -11.754 1.00 80.75 54 A 1 ATOM 421 N NH2 . ARG A 0 54 . 12.206 9.428 -12.018 1.00 80.75 54 A 1 ATOM 422 C CZ . ARG A 0 54 . 13.085 8.487 -11.813 1.00 80.75 54 A 1 ATOM 423 N N . SER A 0 55 . 13.815 0.461 -9.946 1.00 83.32 55 A 1 ATOM 424 C CA . SER A 0 55 . 14.708 -0.629 -9.548 1.00 83.32 55 A 1 ATOM 425 C C . SER A 0 55 . 14.008 -1.664 -8.664 1.00 83.32 55 A 1 ATOM 426 C CB . SER A 0 55 . 15.924 -0.032 -8.827 1.00 83.32 55 A 1 ATOM 427 O O . SER A 0 55 . 12.891 -1.453 -8.194 1.00 83.32 55 A 1 ATOM 428 O OG . SER A 0 55 . 15.565 0.353 -7.517 1.00 83.32 55 A 1 ATOM 429 N N . GLY A 0 56 . 14.700 -2.780 -8.406 1.00 83.05 56 A 1 ATOM 430 C CA . GLY A 0 56 . 14.256 -3.776 -7.427 1.00 83.05 56 A 1 ATOM 431 C C . GLY A 0 56 . 14.224 -3.253 -5.985 1.00 83.05 56 A 1 ATOM 432 O O . GLY A 0 56 . 13.505 -3.797 -5.155 1.00 83.05 56 A 1 ATOM 433 N N . GLU A 0 57 . 14.958 -2.181 -5.673 1.00 85.96 57 A 1 ATOM 434 C CA . GLU A 0 57 . 14.898 -1.544 -4.352 1.00 85.96 57 A 1 ATOM 435 C C . GLU A 0 57 . 13.540 -0.866 -4.123 1.00 85.96 57 A 1 ATOM 436 C CB . GLU A 0 57 . 16.059 -0.548 -4.220 1.00 85.96 57 A 1 ATOM 437 O O . GLU A 0 57 . 12.970 -0.988 -3.037 1.00 85.96 57 A 1 ATOM 438 C CG . GLU A 0 57 . 16.199 0.001 -2.797 1.00 85.96 57 A 1 ATOM 439 C CD . GLU A 0 57 . 17.433 0.902 -2.702 1.00 85.96 57 A 1 ATOM 440 O OE1 . GLU A 0 57 . 17.273 2.130 -2.890 1.00 85.96 57 A 1 ATOM 441 O OE2 . GLU A 0 57 . 18.530 0.343 -2.480 1.00 85.96 57 A 1 ATOM 442 N N . ASP A 0 58 . 12.971 -0.246 -5.165 1.00 83.34 58 A 1 ATOM 443 C CA . ASP A 0 58 . 11.634 0.355 -5.098 1.00 83.34 58 A 1 ATOM 444 C C . ASP A 0 58 . 10.547 -0.708 -4.829 1.00 83.34 58 A 1 ATOM 445 C CB . ASP A 0 58 . 11.310 1.118 -6.396 1.00 83.34 58 A 1 ATOM 446 O O . ASP A 0 58 . 9.540 -0.418 -4.185 1.00 83.34 58 A 1 ATOM 447 C CG . ASP A 0 58 . 12.259 2.273 -6.752 1.00 83.34 58 A 1 ATOM 448 O OD1 . ASP A 0 58 . 12.571 3.133 -5.890 1.00 83.34 58 A 1 ATOM 449 O OD2 . ASP A 0 58 . 12.609 2.361 -7.954 1.00 83.34 58 A 1 ATOM 450 N N . ASP A 0 59 . 10.751 -1.957 -5.267 1.00 83.37 59 A 1 ATOM 451 C CA . ASP A 0 59 . 9.826 -3.063 -4.977 1.00 83.37 59 A 1 ATOM 452 C C . ASP A 0 59 . 9.860 -3.500 -3.526 1.00 83.37 59 A 1 ATOM 453 C CB . ASP A 0 59 . 10.170 -4.296 -5.805 1.00 83.37 59 A 1 ATOM 454 O O . ASP A 0 59 . 8.817 -3.763 -2.924 1.00 83.37 59 A 1 ATOM 455 C CG . ASP A 0 59 . 9.935 -4.017 -7.259 1.00 83.37 59 A 1 ATOM 456 O OD1 . ASP A 0 59 . 8.801 -3.599 -7.582 1.00 83.37 59 A 1 ATOM 457 O OD2 . ASP A 0 59 . 10.853 -4.281 -8.070 1.00 83.37 59 A 1 ATOM 458 N N . VAL A 0 60 . 11.066 -3.590 -2.965 1.00 86.07 60 A 1 ATOM 459 C CA . VAL A 0 60 . 11.250 -3.941 -1.559 1.00 86.07 60 A 1 ATOM 460 C C . VAL A 0 60 . 10.647 -2.853 -0.674 1.00 86.07 60 A 1 ATOM 461 C CB . VAL A 0 60 . 12.738 -4.180 -1.246 1.00 86.07 60 A 1 ATOM 462 O O . VAL A 0 60 . 9.977 -3.180 0.307 1.00 86.07 60 A 1 ATOM 463 C CG1 . VAL A 0 60 . 12.965 -4.449 0.249 1.00 86.07 60 A 1 ATOM 464 C CG2 . VAL A 0 60 . 13.274 -5.394 -2.016 1.00 86.07 60 A 1 ATOM 465 N N . ASP A 0 61 . 10.834 -1.576 -1.023 1.00 86.71 61 A 1 ATOM 466 C CA . ASP A 0 61 . 10.209 -0.458 -0.311 1.00 86.71 61 A 1 ATOM 467 C C . ASP A 0 61 . 8.676 -0.506 -0.403 1.00 86.71 61 A 1 ATOM 468 C CB . ASP A 0 61 . 10.750 0.880 -0.832 1.00 86.71 61 A 1 ATOM 469 O O . ASP A 0 61 . 7.989 -0.526 0.623 1.00 86.71 61 A 1 ATOM 470 C CG . ASP A 0 61 . 10.224 2.017 0.049 1.00 86.71 61 A 1 ATOM 471 O OD1 . ASP A 0 61 . 10.635 2.044 1.231 1.00 86.71 61 A 1 ATOM 472 O OD2 . ASP A 0 61 . 9.363 2.795 -0.422 1.00 86.71 61 A 1 ATOM 473 N N . LEU A 0 62 . 8.130 -0.652 -1.616 1.00 83.84 62 A 1 ATOM 474 C CA . LEU A 0 62 . 6.690 -0.796 -1.846 1.00 83.84 62 A 1 ATOM 475 C C . LEU A 0 62 . 6.101 -1.964 -1.040 1.00 83.84 62 A 1 ATOM 476 C CB . LEU A 0 62 . 6.463 -0.969 -3.360 1.00 83.84 62 A 1 ATOM 477 O O . LEU A 0 62 . 5.040 -1.827 -0.427 1.00 83.84 62 A 1 ATOM 478 C CG . LEU A 0 62 . 5.007 -1.215 -3.796 1.00 83.84 62 A 1 ATOM 479 C CD1 . LEU A 0 62 . 4.065 -0.082 -3.402 1.00 83.84 62 A 1 ATOM 480 C CD2 . LEU A 0 62 . 4.932 -1.381 -5.312 1.00 83.84 62 A 1 ATOM 481 N N . TYR A 0 63 . 6.785 -3.109 -1.006 1.00 84.42 63 A 1 ATOM 482 C CA . TYR A 0 63 . 6.358 -4.281 -0.247 1.00 84.42 63 A 1 ATOM 483 C C . TYR A 0 63 . 6.368 -4.033 1.267 1.00 84.42 63 A 1 ATOM 484 C CB . TYR A 0 63 . 7.248 -5.469 -0.617 1.00 84.42 63 A 1 ATOM 485 O O . TYR A 0 63 . 5.369 -4.297 1.940 1.00 84.42 63 A 1 ATOM 486 C CG . TYR A 0 63 . 6.873 -6.742 0.109 1.00 84.42 63 A 1 ATOM 487 C CD1 . TYR A 0 63 . 7.672 -7.216 1.167 1.00 84.42 63 A 1 ATOM 488 C CD2 . TYR A 0 63 . 5.716 -7.447 -0.274 1.00 84.42 63 A 1 ATOM 489 C CE1 . TYR A 0 63 . 7.332 -8.415 1.822 1.00 84.42 63 A 1 ATOM 490 C CE2 . TYR A 0 63 . 5.360 -8.632 0.395 1.00 84.42 63 A 1 ATOM 491 O OH . TYR A 0 63 . 5.814 -10.270 2.070 1.00 84.42 63 A 1 ATOM 492 C CZ . TYR A 0 63 . 6.171 -9.123 1.436 1.00 84.42 63 A 1 ATOM 493 N N . LYS A 0 64 . 7.451 -3.458 1.809 1.00 86.38 64 A 1 ATOM 494 C CA . LYS A 0 64 . 7.539 -3.094 3.233 1.00 86.38 64 A 1 ATOM 495 C C . LYS A 0 64 . 6.417 -2.146 3.638 1.00 86.38 64 A 1 ATOM 496 C CB . LYS A 0 64 . 8.889 -2.426 3.521 1.00 86.38 64 A 1 ATOM 497 O O . LYS A 0 64 . 5.796 -2.334 4.684 1.00 86.38 64 A 1 ATOM 498 C CG . LYS A 0 64 . 10.037 -3.437 3.612 1.00 86.38 64 A 1 ATOM 499 C CD . LYS A 0 64 . 11.357 -2.676 3.762 1.00 86.38 64 A 1 ATOM 500 C CE . LYS A 0 64 . 12.535 -3.647 3.865 1.00 86.38 64 A 1 ATOM 501 N NZ . LYS A 0 64 . 13.821 -2.909 3.910 1.00 86.38 64 A 1 ATOM 502 N N . ARG A 0 65 . 6.113 -1.159 2.795 1.00 86.07 65 A 1 ATOM 503 C CA . ARG A 0 65 . 5.040 -0.192 3.051 1.00 86.07 65 A 1 ATOM 504 C C . ARG A 0 65 . 3.657 -0.835 2.989 1.00 86.07 65 A 1 ATOM 505 C CB . ARG A 0 65 . 5.199 0.999 2.100 1.00 86.07 65 A 1 ATOM 506 O O . ARG A 0 65 . 2.826 -0.540 3.845 1.00 86.07 65 A 1 ATOM 507 C CG . ARG A 0 65 . 6.462 1.793 2.482 1.00 86.07 65 A 1 ATOM 508 C CD . ARG A 0 65 . 6.702 2.994 1.580 1.00 86.07 65 A 1 ATOM 509 N NE . ARG A 0 65 . 5.647 4.010 1.749 1.00 86.07 65 A 1 ATOM 510 N NH1 . ARG A 0 65 . 6.183 5.244 -0.079 1.00 86.07 65 A 1 ATOM 511 N NH2 . ARG A 0 65 . 4.558 5.924 1.294 1.00 86.07 65 A 1 ATOM 512 C CZ . ARG A 0 65 . 5.466 5.058 0.982 1.00 86.07 65 A 1 ATOM 513 N N . LYS A 0 66 . 3.423 -1.783 2.073 1.00 83.30 66 A 1 ATOM 514 C CA . LYS A 0 66 . 2.195 -2.605 2.060 1.00 83.30 66 A 1 ATOM 515 C C . LYS A 0 66 . 2.018 -3.412 3.342 1.00 83.30 66 A 1 ATOM 516 C CB . LYS A 0 66 . 2.157 -3.520 0.830 1.00 83.30 66 A 1 ATOM 517 O O . LYS A 0 66 . 0.933 -3.378 3.916 1.00 83.30 66 A 1 ATOM 518 C CG . LYS A 0 66 . 1.807 -2.737 -0.439 1.00 83.30 66 A 1 ATOM 519 C CD . LYS A 0 66 . 1.752 -3.665 -1.657 1.00 83.30 66 A 1 ATOM 520 C CE . LYS A 0 66 . 1.572 -2.785 -2.891 1.00 83.30 66 A 1 ATOM 521 N NZ . LYS A 0 66 . 1.327 -3.566 -4.128 1.00 83.30 66 A 1 ATOM 522 N N . ILE A 0 67 . 3.071 -4.066 3.831 1.00 83.28 67 A 1 ATOM 523 C CA . ILE A 0 67 . 3.022 -4.768 5.123 1.00 83.28 67 A 1 ATOM 524 C C . ILE A 0 67 . 2.730 -3.787 6.262 1.00 83.28 67 A 1 ATOM 525 C CB . ILE A 0 67 . 4.329 -5.549 5.379 1.00 83.28 67 A 1 ATOM 526 O O . ILE A 0 67 . 1.884 -4.062 7.108 1.00 83.28 67 A 1 ATOM 527 C CG1 . ILE A 0 67 . 4.423 -6.723 4.385 1.00 83.28 67 A 1 ATOM 528 C CG2 . ILE A 0 67 . 4.387 -6.069 6.834 1.00 83.28 67 A 1 ATOM 529 C CD1 . ILE A 0 67 . 5.737 -7.501 4.483 1.00 83.28 67 A 1 ATOM 530 N N . GLY A 0 68 . 3.392 -2.628 6.280 1.00 84.79 68 A 1 ATOM 531 C CA . GLY A 0 68 . 3.164 -1.606 7.302 1.00 84.79 68 A 1 ATOM 532 C C . GLY A 0 68 . 1.716 -1.110 7.332 1.00 84.79 68 A 1 ATOM 533 O O . GLY A 0 68 . 1.137 -0.964 8.408 1.00 84.79 68 A 1 ATOM 534 N N . MET A 0 69 . 1.102 -0.901 6.164 1.00 83.42 69 A 1 ATOM 535 C CA . MET A 0 69 . -0.321 -0.567 6.056 1.00 83.42 69 A 1 ATOM 536 C C . MET A 0 69 . -1.210 -1.690 6.596 1.00 83.42 69 A 1 ATOM 537 C CB . MET A 0 69 . -0.697 -0.269 4.599 1.00 83.42 69 A 1 ATOM 538 O O . MET A 0 69 . -2.088 -1.422 7.414 1.00 83.42 69 A 1 ATOM 539 C CG . MET A 0 69 . -0.189 1.086 4.111 1.00 83.42 69 A 1 ATOM 540 S SD . MET A 0 69 . -0.737 1.463 2.422 1.00 83.42 69 A 1 ATOM 541 C CE . MET A 0 69 . 0.726 0.961 1.485 1.00 83.42 69 A 1 ATOM 542 N N . ALA A 0 70 . -0.958 -2.937 6.186 1.00 80.17 70 A 1 ATOM 543 C CA . ALA A 0 70 . -1.700 -4.106 6.660 1.00 80.17 70 A 1 ATOM 544 C C . ALA A 0 70 . -1.636 -4.239 8.189 1.00 80.17 70 A 1 ATOM 545 C CB . ALA A 0 70 . -1.118 -5.348 5.978 1.00 80.17 70 A 1 ATOM 546 O O . ALA A 0 70 . -2.654 -4.460 8.845 1.00 80.17 70 A 1 ATOM 547 N N . TYR A 0 71 . -0.453 -4.024 8.767 1.00 80.24 71 A 1 ATOM 548 C CA . TYR A 0 71 . -0.248 -4.036 10.211 1.00 80.24 71 A 1 ATOM 549 C C . TYR A 0 71 . -1.046 -2.929 10.915 1.00 80.24 71 A 1 ATOM 550 C CB . TYR A 0 71 . 1.251 -3.925 10.507 1.00 80.24 71 A 1 ATOM 551 O O . TYR A 0 71 . -1.783 -3.213 11.858 1.00 80.24 71 A 1 ATOM 552 C CG . TYR A 0 71 . 1.554 -3.997 11.987 1.00 80.24 71 A 1 ATOM 553 C CD1 . TYR A 0 71 . 1.658 -2.815 12.749 1.00 80.24 71 A 1 ATOM 554 C CD2 . TYR A 0 71 . 1.669 -5.252 12.612 1.00 80.24 71 A 1 ATOM 555 C CE1 . TYR A 0 71 . 1.860 -2.889 14.140 1.00 80.24 71 A 1 ATOM 556 C CE2 . TYR A 0 71 . 1.888 -5.328 14.000 1.00 80.24 71 A 1 ATOM 557 O OH . TYR A 0 71 . 2.140 -4.241 16.112 1.00 80.24 71 A 1 ATOM 558 C CZ . TYR A 0 71 . 1.970 -4.149 14.768 1.00 80.24 71 A 1 ATOM 559 N N . LYS A 0 72 . -0.965 -1.678 10.434 1.00 80.61 72 A 1 ATOM 560 C CA . LYS A 0 72 . -1.731 -0.546 10.993 1.00 80.61 72 A 1 ATOM 561 C C . LYS A 0 72 . -3.240 -0.806 10.959 1.00 80.61 72 A 1 ATOM 562 C CB . LYS A 0 72 . -1.417 0.748 10.224 1.00 80.61 72 A 1 ATOM 563 O O . LYS A 0 72 . -3.926 -0.545 11.943 1.00 80.61 72 A 1 ATOM 564 C CG . LYS A 0 72 . -0.034 1.348 10.525 1.00 80.61 72 A 1 ATOM 565 C CD . LYS A 0 72 . 0.214 2.543 9.588 1.00 80.61 72 A 1 ATOM 566 C CE . LYS A 0 72 . 1.607 3.160 9.765 1.00 80.61 72 A 1 ATOM 567 N NZ . LYS A 0 72 . 1.847 4.261 8.786 1.00 80.61 72 A 1 ATOM 568 N N . LEU A 0 73 . -3.751 -1.339 9.849 1.00 76.51 73 A 1 ATOM 569 C CA . LEU A 0 73 . -5.157 -1.736 9.708 1.00 76.51 73 A 1 ATOM 570 C C . LEU A 0 73 . -5.546 -2.817 10.726 1.00 76.51 73 A 1 ATOM 571 C CB . LEU A 0 73 . -5.381 -2.222 8.265 1.00 76.51 73 A 1 ATOM 572 O O . LEU A 0 73 . -6.578 -2.697 11.389 1.00 76.51 73 A 1 ATOM 573 C CG . LEU A 0 73 . -5.733 -1.070 7.309 1.00 76.51 73 A 1 ATOM 574 C CD1 . LEU A 0 73 . -5.281 -1.390 5.887 1.00 76.51 73 A 1 ATOM 575 C CD2 . LEU A 0 73 . -7.244 -0.830 7.287 1.00 76.51 73 A 1 ATOM 576 N N . GLY A 0 74 . -4.691 -3.825 10.907 1.00 75.69 74 A 1 ATOM 577 C CA . GLY A 0 74 . -4.878 -4.858 11.922 1.00 75.69 74 A 1 ATOM 578 C C . GLY A 0 74 . -4.958 -4.306 13.345 1.00 75.69 74 A 1 ATOM 579 O O . GLY A 0 74 . -5.854 -4.691 14.097 1.00 75.69 74 A 1 ATOM 580 N N . GLU A 0 75 . -4.083 -3.368 13.703 1.00 80.12 75 A 1 ATOM 581 C CA . GLU A 0 75 . -4.093 -2.718 15.019 1.00 80.12 75 A 1 ATOM 582 C C . GLU A 0 75 . -5.344 -1.851 15.231 1.00 80.12 75 A 1 ATOM 583 C CB . GLU A 0 75 . -2.816 -1.882 15.199 1.00 80.12 75 A 1 ATOM 584 O O . GLU A 0 75 . -5.976 -1.931 16.285 1.00 80.12 75 A 1 ATOM 585 C CG . GLU A 0 75 . -1.546 -2.738 15.331 1.00 80.12 75 A 1 ATOM 586 C CD . GLU A 0 75 . -1.551 -3.581 16.613 1.00 80.12 75 A 1 ATOM 587 O OE1 . GLU A 0 75 . -1.809 -4.811 16.528 1.00 80.12 75 A 1 ATOM 588 O OE2 . GLU A 0 75 . -1.323 -2.994 17.689 1.00 80.12 75 A 1 ATOM 589 N N . ILE A 0 76 . -5.771 -1.088 14.217 1.00 76.20 76 A 1 ATOM 590 C CA . ILE A 0 76 . -7.009 -0.292 14.281 1.00 76.20 76 A 1 ATOM 591 C C . ILE A 0 76 . -8.226 -1.196 14.502 1.00 76.20 76 A 1 ATOM 592 C CB . ILE A 0 76 . -7.166 0.585 13.017 1.00 76.20 76 A 1 ATOM 593 O O . ILE A 0 76 . -9.097 -0.856 15.303 1.00 76.20 76 A 1 ATOM 594 C CG1 . ILE A 0 76 . -6.105 1.708 13.016 1.00 76.20 76 A 1 ATOM 595 C CG2 . ILE A 0 76 . -8.575 1.207 12.931 1.00 76.20 76 A 1 ATOM 596 C CD1 . ILE A 0 76 . -5.960 2.415 11.661 1.00 76.20 76 A 1 ATOM 597 N N . ARG A 0 77 . -8.289 -2.369 13.856 1.00 68.73 77 A 1 ATOM 598 C CA . ARG A 0 77 . -9.368 -3.335 14.118 1.00 68.73 77 A 1 ATOM 599 C C . ARG A 0 77 . -9.327 -3.863 15.536 1.00 68.73 77 A 1 ATOM 600 C CB . ARG A 0 77 . -9.346 -4.479 13.111 1.00 68.73 77 A 1 ATOM 601 O O . ARG A 0 77 . -10.390 -3.945 16.135 1.00 68.73 77 A 1 ATOM 602 C CG . ARG A 0 77 . -10.339 -5.629 13.412 1.00 68.73 77 A 1 ATOM 603 C CD . ARG A 0 77 . -10.256 -6.736 12.351 1.00 68.73 77 A 1 ATOM 604 N NE . ARG A 0 77 . -11.074 -7.922 12.649 1.00 68.73 77 A 1 ATOM 605 N NH1 . ARG A 0 77 . -10.043 -9.328 11.138 1.00 68.73 77 A 1 ATOM 606 N NH2 . ARG A 0 77 . -11.782 -10.064 12.313 1.00 68.73 77 A 1 ATOM 607 C CZ . ARG A 0 77 . -10.955 -9.096 12.044 1.00 68.73 77 A 1 ATOM 608 N N . LYS A 0 78 . -8.158 -4.218 16.079 1.00 73.97 78 A 1 ATOM 609 C CA . LYS A 0 78 . -8.066 -4.657 17.482 1.00 73.97 78 A 1 ATOM 610 C C . LYS A 0 78 . -8.604 -3.580 18.423 1.00 73.97 78 A 1 ATOM 611 C CB . LYS A 0 78 . -6.623 -4.993 17.863 1.00 73.97 78 A 1 ATOM 612 O O . LYS A 0 78 . -9.390 -3.896 19.309 1.00 73.97 78 A 1 ATOM 613 C CG . LYS A 0 78 . -6.094 -6.276 17.210 1.00 73.97 78 A 1 ATOM 614 C CD . LYS A 0 78 . -4.631 -6.435 17.628 1.00 73.97 78 A 1 ATOM 615 C CE . LYS A 0 78 . -3.913 -7.547 16.867 1.00 73.97 78 A 1 ATOM 616 N NZ . LYS A 0 78 . -2.451 -7.401 17.066 1.00 73.97 78 A 1 ATOM 617 N N . LEU A 0 79 . -8.239 -2.320 18.180 1.00 73.34 79 A 1 ATOM 618 C CA . LEU A 0 79 . -8.718 -1.181 18.960 1.00 73.34 79 A 1 ATOM 619 C C . LEU A 0 79 . -10.240 -0.995 18.836 1.00 73.34 79 A 1 ATOM 620 C CB . LEU A 0 79 . -7.963 0.077 18.503 1.00 73.34 79 A 1 ATOM 621 O O . LEU A 0 79 . -10.918 -0.814 19.841 1.00 73.34 79 A 1 ATOM 622 C CG . LEU A 0 79 . -8.093 1.227 19.523 1.00 73.34 79 A 1 ATOM 623 C CD1 . LEU A 0 79 . -6.778 1.421 20.279 1.00 73.34 79 A 1 ATOM 624 C CD2 . LEU A 0 79 . -8.457 2.537 18.826 1.00 73.34 79 A 1 ATOM 625 N N . LEU A 0 80 . -10.785 -1.081 17.618 1.00 69.93 80 A 1 ATOM 626 C CA . LEU A 0 80 . -12.229 -1.007 17.369 1.00 69.93 80 A 1 ATOM 627 C C . LEU A 0 80 . -12.987 -2.160 18.029 1.00 69.93 80 A 1 ATOM 628 C CB . LEU A 0 80 . -12.499 -1.010 15.854 1.00 69.93 80 A 1 ATOM 629 O O . LEU A 0 80 . -14.038 -1.929 18.614 1.00 69.93 80 A 1 ATOM 630 C CG . LEU A 0 80 . -12.352 0.370 15.197 1.00 69.93 80 A 1 ATOM 631 C CD1 . LEU A 0 80 . -12.209 0.208 13.683 1.00 69.93 80 A 1 ATOM 632 C CD2 . LEU A 0 80 . -13.586 1.240 15.459 1.00 69.93 80 A 1 ATOM 633 N N . LEU A 0 81 . -12.458 -3.384 17.961 1.00 68.28 81 A 1 ATOM 634 C CA . LEU A 0 81 . -13.061 -4.550 18.607 1.00 68.28 81 A 1 ATOM 635 C C . LEU A 0 81 . -13.123 -4.354 20.126 1.00 68.28 81 A 1 ATOM 636 C CB . LEU A 0 81 . -12.260 -5.820 18.246 1.00 68.28 81 A 1 ATOM 637 O O . LEU A 0 81 . -14.140 -4.656 20.737 1.00 68.28 81 A 1 ATOM 638 C CG . LEU A 0 81 . -13.156 -7.041 17.952 1.00 68.28 81 A 1 ATOM 639 C CD1 . LEU A 0 81 . -12.999 -7.466 16.487 1.00 68.28 81 A 1 ATOM 640 C CD2 . LEU A 0 81 . -12.782 -8.230 18.833 1.00 68.28 81 A 1 ATOM 641 N N . PHE A 0 82 . -12.060 -3.796 20.713 1.00 68.05 82 A 1 ATOM 642 C CA . PHE A 0 82 . -11.987 -3.485 22.140 1.00 68.05 82 A 1 ATOM 643 C C . PHE A 0 82 . -12.942 -2.360 22.566 1.00 68.05 82 A 1 ATOM 644 C CB . PHE A 0 82 . -10.536 -3.120 22.482 1.00 68.05 82 A 1 ATOM 645 O O . PHE A 0 82 . -13.387 -2.342 23.700 1.00 68.05 82 A 1 ATOM 646 C CG . PHE A 0 82 . -10.211 -3.249 23.954 1.00 68.05 82 A 1 ATOM 647 C CD1 . PHE A 0 82 . -10.379 -2.159 24.828 1.00 68.05 82 A 1 ATOM 648 C CD2 . PHE A 0 82 . -9.766 -4.486 24.457 1.00 68.05 82 A 1 ATOM 649 C CE1 . PHE A 0 82 . -10.097 -2.305 26.197 1.00 68.05 82 A 1 ATOM 650 C CE2 . PHE A 0 82 . -9.483 -4.632 25.825 1.00 68.05 82 A 1 ATOM 651 C CZ . PHE A 0 82 . -9.649 -3.541 26.696 1.00 68.05 82 A 1 ATOM 652 N N . LEU A 0 83 . -13.261 -1.422 21.671 1.00 65.68 83 A 1 ATOM 653 C CA . LEU A 0 83 . -14.209 -0.329 21.928 1.00 65.68 83 A 1 ATOM 654 C C . LEU A 0 83 . -15.681 -0.757 21.840 1.00 65.68 83 A 1 ATOM 655 C CB . LEU A 0 83 . -13.907 0.812 20.932 1.00 65.68 83 A 1 ATOM 656 O O . LEU A 0 83 . -16.556 -0.016 22.285 1.00 65.68 83 A 1 ATOM 657 C CG . LEU A 0 83 . -13.295 2.054 21.605 1.00 65.68 83 A 1 ATOM 658 C CD1 . LEU A 0 83 . -12.149 2.617 20.763 1.00 65.68 83 A 1 ATOM 659 C CD2 . LEU A 0 83 . -14.349 3.151 21.780 1.00 65.68 83 A 1 ATOM 660 N N . VAL A 0 84 . -15.957 -1.898 21.205 1.00 65.35 84 A 1 ATOM 661 C CA . VAL A 0 84 . -17.314 -2.436 21.013 1.00 65.35 84 A 1 ATOM 662 C C . VAL A 0 84 . -17.655 -3.528 22.037 1.00 65.35 84 A 1 ATOM 663 C CB . VAL A 0 84 . -17.483 -2.900 19.550 1.00 65.35 84 A 1 ATOM 664 O O . VAL A 0 84 . -18.838 -3.798 22.244 1.00 65.35 84 A 1 ATOM 665 C CG1 . VAL A 0 84 . -18.833 -3.565 19.249 1.00 65.35 84 A 1 ATOM 666 C CG2 . VAL A 0 84 . -17.392 -1.691 18.606 1.00 65.35 84 A 1 ATOM 667 N N . LEU A 0 85 . -16.645 -4.132 22.673 1.00 55.03 85 A 1 ATOM 668 C CA . LEU A 0 85 . -16.774 -5.059 23.807 1.00 55.03 85 A 1 ATOM 669 C C . LEU A 0 85 . -16.890 -4.300 25.135 1.00 55.03 85 A 1 ATOM 670 C CB . LEU A 0 85 . -15.560 -6.014 23.797 1.00 55.03 85 A 1 ATOM 671 O O . LEU A 0 85 . -17.689 -4.759 25.980 1.00 55.03 85 A 1 ATOM 672 C CG . LEU A 0 85 . -15.668 -7.148 22.770 1.00 55.03 85 A 1 ATOM 673 C CD1 . LEU A 0 85 . -14.285 -7.727 22.481 1.00 55.03 85 A 1 ATOM 674 C CD2 . LEU A 0 85 . -16.550 -8.281 23.300 1.00 55.03 85 A 1 ATOM 675 O OXT . LEU A 0 85 . -16.147 -3.310 25.283 1.00 55.03 85 A 1 # _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.3.9 _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic # loop_ _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.details _pdbx_data_usage.url _pdbx_data_usage.name 1 license 'Data in this file is available under a CC-BY-4.0 license.' https://creativecommons.org/licenses/by/4.0/ CC-BY-4.0 2 disclaimer ;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. ; ? ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jumper, John' 1 'Evans, Richard' 2 'Pritzel, Alexander' 3 'Green, Tim' 4 'Figurnov, Michael' 5 'Ronneberger, Olaf' 6 'Tunyasuvunakool, Kathryn' 7 'Bates, Russ' 8 'Zidek, Augustin' 9 'Potapenko, Anna' 10 'Bridgland, Alex' 11 'Meyer, Clemens' 12 'Kohl, Simon A. A.' 13 'Ballard, Andrew J.' 14 'Cowie, Andrew' 15 'Romera-Paredes, Bernardino' 16 'Nikolov, Stanislav' 17 'Jain, Rishub' 18 'Adler, Jonas' 19 'Back, Trevor' 20 'Petersen, Stig' 21 'Reiman, David' 22 'Clancy, Ellen' 23 'Zielinski, Michal' 24 'Steinegger, Martin' 25 'Pacholska, Michalina' 26 'Berghammer, Tamas' 27 'Silver, David' 28 'Vinyals, Oriol' 29 'Senior, Andrew W.' 30 'Kavukcuoglu, Koray' 31 'Kohli, Pushmeet' 32 'Hassabis, Demis' 33 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jumper, John' 1 primary 'Evans, Richard' 2 primary 'Pritzel, Alexander' 3 primary 'Green, Tim' 4 primary 'Figurnov, Michael' 5 primary 'Ronneberger, Olaf' 6 primary 'Tunyasuvunakool, Kathryn' 7 primary 'Bates, Russ' 8 primary 'Zidek, Augustin' 9 primary 'Potapenko, Anna' 10 primary 'Bridgland, Alex' 11 primary 'Meyer, Clemens' 12 primary 'Kohl, Simon A. A.' 13 primary 'Ballard, Andrew J.' 14 primary 'Cowie, Andrew' 15 primary 'Romera-Paredes, Bernardino' 16 primary 'Nikolov, Stanislav' 17 primary 'Jain, Rishub' 18 primary 'Adler, Jonas' 19 primary 'Back, Trevor' 20 primary 'Petersen, Stig' 21 primary 'Reiman, David' 22 primary 'Clancy, Ellen' 23 primary 'Zielinski, Michal' 24 primary 'Steinegger, Martin' 25 primary 'Pacholska, Michalina' 26 primary 'Berghammer, Tamas' 27 primary 'Silver, David' 28 primary 'Vinyals, Oriol' 29 primary 'Senior, Andrew W.' 30 primary 'Kavukcuoglu, Koray' 31 primary 'Kohli, Pushmeet' 32 primary 'Hassabis, Demis' 33 # _citation.id primary _citation.title 'Highly accurate protein structure prediction with AlphaFold' _citation.journal_full Nature _citation.journal_volume 596 _citation.page_first 583 _citation.page_last 589 _citation.year 2021 _citation.journal_id_ASTM NATUAS _citation.country UK _citation.journal_id_ISSN 0028-0836 _citation.journal_id_CSD 0006 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 34265844 _citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 # _ma_data.id 1 _ma_data.name Model _ma_data.content_type 'model coordinates' # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.entity_id 0 _ma_target_entity_instance.details . # _ma_target_entity.entity_id 0 _ma_target_entity.data_id 1 _ma_target_entity.origin . # _ma_model_list.ordinal_id 1 _ma_model_list.model_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_name 'Top ranked model' _ma_model_list.model_group_name 'AlphaFold Monomer v2.3.2 model' _ma_model_list.data_id 1 _ma_model_list.model_type 'Ab initio model' # _software.pdbx_ordinal 1 _software.name AlphaFold _software.version v2.3.2 _software.type package _software.description 'Structure prediction' _software.classification other _software.date ? # _ma_software_group.ordinal_id 1 _ma_software_group.group_id 1 _ma_software_group.software_id 1 # loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type 1 1 1 'coevolution MSA' 2 1 2 'template search' 3 1 3 modeling # loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.software_group_id 1 pLDDT pLDDT global 1 2 pLDDT pLDDT local 1 # _ma_qa_metric_global.ordinal_id 1 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 72.88 # loop_ _atom_type.symbol C N O S #