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 SER 0 3 SER 0 4 GLU 0 5 GLN 0 6 LEU 0 7 GLN 0 8 ASP 0 9 PRO 0 10 GLU 0 11 GLN 0 12 VAL 0 13 GLU 0 14 GLU 0 15 ALA 0 16 LEU 0 17 GLY 0 18 ILE 0 19 LEU 0 20 LYS 0 21 ASP 0 22 ASP 0 23 LYS 0 24 GLU 0 25 PHE 0 26 GLU 0 27 GLU 0 28 PHE 0 29 GLU 0 30 LYS 0 31 GLU 0 32 ASN 0 33 TRP 0 34 LEU 0 35 THR 0 36 SER 0 37 GLU 0 38 GLU 0 39 GLU 0 40 ILE 0 41 SER 0 42 ASP 0 43 LEU 0 44 GLN 0 45 VAL 0 46 TRP 0 47 ASP 0 48 ASP 0 49 LYS 0 50 TRP 0 51 ASP 0 52 TYR 0 53 GLU 0 54 VAL 0 55 GLU 0 56 ILE 0 57 ASP 0 58 ASP 0 59 GLN 0 60 PHE 0 61 THR 0 62 GLN 0 63 TYR 0 64 LEU 0 65 ARG 0 66 GLN 0 67 GLU 0 68 LEU 0 69 THR 0 70 LYS 0 71 LEU 0 72 GLY 0 73 HIS 0 74 LEU 0 75 HIS 0 76 GLU 0 77 THR 0 78 ASN # 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 . -29.585 10.659 -1.165 1.00 38.73 1 A 1 ATOM 2 C CA . MET A 0 1 . -30.323 9.628 -1.914 1.00 38.73 1 A 1 ATOM 3 C C . MET A 0 1 . -29.335 8.526 -2.208 1.00 38.73 1 A 1 ATOM 4 C CB . MET A 0 1 . -30.951 10.163 -3.213 1.00 38.73 1 A 1 ATOM 5 O O . MET A 0 1 . -28.380 8.774 -2.930 1.00 38.73 1 A 1 ATOM 6 C CG . MET A 0 1 . -32.000 11.246 -2.937 1.00 38.73 1 A 1 ATOM 7 S SD . MET A 0 1 . -33.223 11.459 -4.255 1.00 38.73 1 A 1 ATOM 8 C CE . MET A 0 1 . -34.519 10.320 -3.691 1.00 38.73 1 A 1 ATOM 9 N N . SER A 0 2 . -29.512 7.382 -1.555 1.00 48.07 2 A 1 ATOM 10 C CA . SER A 0 2 . -28.813 6.149 -1.894 1.00 48.07 2 A 1 ATOM 11 C C . SER A 0 2 . -29.364 5.671 -3.230 1.00 48.07 2 A 1 ATOM 12 C CB . SER A 0 2 . -29.055 5.080 -0.817 1.00 48.07 2 A 1 ATOM 13 O O . SER A 0 2 . -30.518 5.260 -3.301 1.00 48.07 2 A 1 ATOM 14 O OG . SER A 0 2 . -28.669 5.576 0.451 1.00 48.07 2 A 1 ATOM 15 N N . SER A 0 3 . -28.571 5.784 -4.285 1.00 52.71 3 A 1 ATOM 16 C CA . SER A 0 3 . -28.738 4.932 -5.454 1.00 52.71 3 A 1 ATOM 17 C C . SER A 0 3 . -27.665 3.869 -5.330 1.00 52.71 3 A 1 ATOM 18 C CB . SER A 0 3 . -28.660 5.719 -6.764 1.00 52.71 3 A 1 ATOM 19 O O . SER A 0 3 . -26.541 4.052 -5.789 1.00 52.71 3 A 1 ATOM 20 O OG . SER A 0 3 . -29.884 6.399 -6.989 1.00 52.71 3 A 1 ATOM 21 N N . GLU A 0 4 . -28.026 2.787 -4.640 1.00 50.05 4 A 1 ATOM 22 C CA . GLU A 0 4 . -27.504 1.461 -4.943 1.00 50.05 4 A 1 ATOM 23 C C . GLU A 0 4 . -27.699 1.273 -6.448 1.00 50.05 4 A 1 ATOM 24 C CB . GLU A 0 4 . -28.301 0.395 -4.163 1.00 50.05 4 A 1 ATOM 25 O O . GLU A 0 4 . -28.808 1.021 -6.921 1.00 50.05 4 A 1 ATOM 26 C CG . GLU A 0 4 . -28.033 0.423 -2.652 1.00 50.05 4 A 1 ATOM 27 C CD . GLU A 0 4 . -28.976 -0.519 -1.886 1.00 50.05 4 A 1 ATOM 28 O OE1 . GLU A 0 4 . -28.466 -1.370 -1.125 1.00 50.05 4 A 1 ATOM 29 O OE2 . GLU A 0 4 . -30.208 -0.329 -2.018 1.00 50.05 4 A 1 ATOM 30 N N . GLN A 0 5 . -26.643 1.507 -7.225 1.00 53.43 5 A 1 ATOM 31 C CA . GLN A 0 5 . -26.588 0.971 -8.571 1.00 53.43 5 A 1 ATOM 32 C C . GLN A 0 5 . -26.488 -0.537 -8.369 1.00 53.43 5 A 1 ATOM 33 C CB . GLN A 0 5 . -25.421 1.579 -9.365 1.00 53.43 5 A 1 ATOM 34 O O . GLN A 0 5 . -25.426 -1.070 -8.057 1.00 53.43 5 A 1 ATOM 35 C CG . GLN A 0 5 . -25.655 3.057 -9.728 1.00 53.43 5 A 1 ATOM 36 C CD . GLN A 0 5 . -26.776 3.294 -10.741 1.00 53.43 5 A 1 ATOM 37 N NE2 . GLN A 0 5 . -27.229 4.518 -10.902 1.00 53.43 5 A 1 ATOM 38 O OE1 . GLN A 0 5 . -27.273 2.417 -11.420 1.00 53.43 5 A 1 ATOM 39 N N . LEU A 0 6 . -27.653 -1.185 -8.411 1.00 48.46 6 A 1 ATOM 40 C CA . LEU A 0 6 . -27.808 -2.601 -8.689 1.00 48.46 6 A 1 ATOM 41 C C . LEU A 0 6 . -26.978 -2.872 -9.940 1.00 48.46 6 A 1 ATOM 42 C CB . LEU A 0 6 . -29.303 -2.878 -8.952 1.00 48.46 6 A 1 ATOM 43 O O . LEU A 0 6 . -27.434 -2.617 -11.051 1.00 48.46 6 A 1 ATOM 44 C CG . LEU A 0 6 . -30.175 -2.922 -7.685 1.00 48.46 6 A 1 ATOM 45 C CD1 . LEU A 0 6 . -31.620 -2.542 -8.013 1.00 48.46 6 A 1 ATOM 46 C CD2 . LEU A 0 6 . -30.179 -4.330 -7.085 1.00 48.46 6 A 1 ATOM 47 N N . GLN A 0 7 . -25.731 -3.293 -9.757 1.00 55.66 7 A 1 ATOM 48 C CA . GLN A 0 7 . -24.941 -3.816 -10.854 1.00 55.66 7 A 1 ATOM 49 C C . GLN A 0 7 . -25.748 -5.009 -11.376 1.00 55.66 7 A 1 ATOM 50 C CB . GLN A 0 7 . -23.545 -4.206 -10.337 1.00 55.66 7 A 1 ATOM 51 O O . GLN A 0 7 . -25.977 -5.961 -10.623 1.00 55.66 7 A 1 ATOM 52 C CG . GLN A 0 7 . -22.467 -4.199 -11.440 1.00 55.66 7 A 1 ATOM 53 C CD . GLN A 0 7 . -21.621 -2.925 -11.499 1.00 55.66 7 A 1 ATOM 54 N NE2 . GLN A 0 7 . -20.731 -2.822 -12.460 1.00 55.66 7 A 1 ATOM 55 O OE1 . GLN A 0 7 . -21.711 -2.016 -10.687 1.00 55.66 7 A 1 ATOM 56 N N . ASP A 0 8 . -26.281 -4.905 -12.598 1.00 70.18 8 A 1 ATOM 57 C CA . ASP A 0 8 . -27.069 -5.979 -13.202 1.00 70.18 8 A 1 ATOM 58 C C . ASP A 0 8 . -26.284 -7.292 -13.060 1.00 70.18 8 A 1 ATOM 59 C CB . ASP A 0 8 . -27.378 -5.683 -14.685 1.00 70.18 8 A 1 ATOM 60 O O . ASP A 0 8 . -25.067 -7.292 -13.275 1.00 70.18 8 A 1 ATOM 61 C CG . ASP A 0 8 . -28.772 -5.084 -14.912 1.00 70.18 8 A 1 ATOM 62 O OD1 . ASP A 0 8 . -29.728 -5.576 -14.266 1.00 70.18 8 A 1 ATOM 63 O OD2 . ASP A 0 8 . -28.881 -4.161 -15.750 1.00 70.18 8 A 1 ATOM 64 N N . PRO A 0 9 . -26.928 -8.413 -12.686 1.00 72.96 9 A 1 ATOM 65 C CA . PRO A 0 9 . -26.224 -9.674 -12.453 1.00 72.96 9 A 1 ATOM 66 C C . PRO A 0 9 . -25.386 -10.106 -13.666 1.00 72.96 9 A 1 ATOM 67 C CB . PRO A 0 9 . -27.320 -10.690 -12.107 1.00 72.96 9 A 1 ATOM 68 O O . PRO A 0 9 . -24.337 -10.715 -13.488 1.00 72.96 9 A 1 ATOM 69 C CG . PRO A 0 9 . -28.598 -10.077 -12.683 1.00 72.96 9 A 1 ATOM 70 C CD . PRO A 0 9 . -28.362 -8.578 -12.534 1.00 72.96 9 A 1 ATOM 71 N N . GLU A 0 10 . -25.804 -9.720 -14.874 1.00 74.43 10 A 1 ATOM 72 C CA . GLU A 0 10 . -25.061 -9.929 -16.120 1.00 74.43 10 A 1 ATOM 73 C C . GLU A 0 10 . -23.755 -9.115 -16.175 1.00 74.43 10 A 1 ATOM 74 C CB . GLU A 0 10 . -26.011 -9.593 -17.281 1.00 74.43 10 A 1 ATOM 75 O O . GLU A 0 10 . -22.721 -9.662 -16.542 1.00 74.43 10 A 1 ATOM 76 C CG . GLU A 0 10 . -25.489 -10.028 -18.659 1.00 74.43 10 A 1 ATOM 77 C CD . GLU A 0 10 . -26.548 -9.885 -19.772 1.00 74.43 10 A 1 ATOM 78 O OE1 . GLU A 0 10 . -26.346 -10.479 -20.857 1.00 74.43 10 A 1 ATOM 79 O OE2 . GLU A 0 10 . -27.586 -9.219 -19.541 1.00 74.43 10 A 1 ATOM 80 N N . GLN A 0 11 . -23.745 -7.857 -15.713 1.00 74.70 11 A 1 ATOM 81 C CA . GLN A 0 11 . -22.509 -7.065 -15.613 1.00 74.70 11 A 1 ATOM 82 C C . GLN A 0 11 . -21.583 -7.558 -14.502 1.00 74.70 11 A 1 ATOM 83 C CB . GLN A 0 11 . -22.807 -5.584 -15.353 1.00 74.70 11 A 1 ATOM 84 O O . GLN A 0 11 . -20.368 -7.452 -14.628 1.00 74.70 11 A 1 ATOM 85 C CG . GLN A 0 11 . -23.441 -4.891 -16.563 1.00 74.70 11 A 1 ATOM 86 C CD . GLN A 0 11 . -23.222 -3.381 -16.567 1.00 74.70 11 A 1 ATOM 87 N NE2 . GLN A 0 11 . -24.007 -2.646 -17.323 1.00 74.70 11 A 1 ATOM 88 O OE1 . GLN A 0 11 . -22.360 -2.817 -15.910 1.00 74.70 11 A 1 ATOM 89 N N . VAL A 0 12 . -22.132 -8.087 -13.402 1.00 77.21 12 A 1 ATOM 90 C CA . VAL A 0 12 . -21.318 -8.733 -12.359 1.00 77.21 12 A 1 ATOM 91 C C . VAL A 0 12 . -20.669 -10.001 -12.907 1.00 77.21 12 A 1 ATOM 92 C CB . VAL A 0 12 . -22.140 -9.062 -11.098 1.00 77.21 12 A 1 ATOM 93 O O . VAL A 0 12 . -19.508 -10.259 -12.612 1.00 77.21 12 A 1 ATOM 94 C CG1 . VAL A 0 12 . -21.296 -9.763 -10.022 1.00 77.21 12 A 1 ATOM 95 C CG2 . VAL A 0 12 . -22.713 -7.793 -10.462 1.00 77.21 12 A 1 ATOM 96 N N . GLU A 0 13 . -21.392 -10.791 -13.702 1.00 76.15 13 A 1 ATOM 97 C CA . GLU A 0 13 . -20.854 -11.989 -14.347 1.00 76.15 13 A 1 ATOM 98 C C . GLU A 0 13 . -19.797 -11.647 -15.403 1.00 76.15 13 A 1 ATOM 99 C CB . GLU A 0 13 . -22.004 -12.826 -14.927 1.00 76.15 13 A 1 ATOM 100 O O . GLU A 0 13 . -18.743 -12.280 -15.410 1.00 76.15 13 A 1 ATOM 101 C CG . GLU A 0 13 . -21.506 -14.177 -15.468 1.00 76.15 13 A 1 ATOM 102 C CD . GLU A 0 13 . -22.629 -15.136 -15.898 1.00 76.15 13 A 1 ATOM 103 O OE1 . GLU A 0 13 . -22.280 -16.288 -16.256 1.00 76.15 13 A 1 ATOM 104 O OE2 . GLU A 0 13 . -23.823 -14.774 -15.804 1.00 76.15 13 A 1 ATOM 105 N N . GLU A 0 14 . -20.025 -10.616 -16.221 1.00 76.10 14 A 1 ATOM 106 C CA . GLU A 0 14 . -19.038 -10.087 -17.168 1.00 76.10 14 A 1 ATOM 107 C C . GLU A 0 14 . -17.791 -9.578 -16.432 1.00 76.10 14 A 1 ATOM 108 C CB . GLU A 0 14 . -19.694 -8.997 -18.034 1.00 76.10 14 A 1 ATOM 109 O O . GLU A 0 14 . -16.687 -10.015 -16.741 1.00 76.10 14 A 1 ATOM 110 C CG . GLU A 0 14 . -18.786 -8.507 -19.174 1.00 76.10 14 A 1 ATOM 111 C CD . GLU A 0 14 . -19.478 -7.499 -20.113 1.00 76.10 14 A 1 ATOM 112 O OE1 . GLU A 0 14 . -18.965 -7.310 -21.240 1.00 76.10 14 A 1 ATOM 113 O OE2 . GLU A 0 14 . -20.514 -6.915 -19.715 1.00 76.10 14 A 1 ATOM 114 N N . ALA A 0 15 . -17.955 -8.771 -15.377 1.00 75.81 15 A 1 ATOM 115 C CA . ALA A 0 15 . -16.854 -8.284 -14.542 1.00 75.81 15 A 1 ATOM 116 C C . ALA A 0 15 . -16.113 -9.412 -13.802 1.00 75.81 15 A 1 ATOM 117 C CB . ALA A 0 15 . -17.403 -7.254 -13.549 1.00 75.81 15 A 1 ATOM 118 O O . ALA A 0 15 . -14.901 -9.345 -13.619 1.00 75.81 15 A 1 ATOM 119 N N . LEU A 0 16 . -16.814 -10.466 -13.371 1.00 75.26 16 A 1 ATOM 120 C CA . LEU A 0 16 . -16.195 -11.667 -12.802 1.00 75.26 16 A 1 ATOM 121 C C . LEU A 0 16 . -15.475 -12.500 -13.864 1.00 75.26 16 A 1 ATOM 122 C CB . LEU A 0 16 . -17.258 -12.545 -12.118 1.00 75.26 16 A 1 ATOM 123 O O . LEU A 0 16 . -14.492 -13.157 -13.535 1.00 75.26 16 A 1 ATOM 124 C CG . LEU A 0 16 . -17.679 -12.091 -10.712 1.00 75.26 16 A 1 ATOM 125 C CD1 . LEU A 0 16 . -18.898 -12.908 -10.274 1.00 75.26 16 A 1 ATOM 126 C CD2 . LEU A 0 16 . -16.568 -12.330 -9.683 1.00 75.26 16 A 1 ATOM 127 N N . GLY A 0 17 . -15.983 -12.536 -15.097 1.00 77.00 17 A 1 ATOM 128 C CA . GLY A 0 17 . -15.331 -13.168 -16.242 1.00 77.00 17 A 1 ATOM 129 C C . GLY A 0 17 . -14.021 -12.464 -16.570 1.00 77.00 17 A 1 ATOM 130 O O . GLY A 0 17 . -12.995 -13.129 -16.667 1.00 77.00 17 A 1 ATOM 131 N N . ILE A 0 18 . -14.075 -11.133 -16.594 1.00 75.01 18 A 1 ATOM 132 C CA . ILE A 0 18 . -12.948 -10.211 -16.722 1.00 75.01 18 A 1 ATOM 133 C C . ILE A 0 18 . -11.908 -10.449 -15.617 1.00 75.01 18 A 1 ATOM 134 C CB . ILE A 0 18 . -13.520 -8.762 -16.733 1.00 75.01 18 A 1 ATOM 135 O O . ILE A 0 18 . -10.751 -10.772 -15.865 1.00 75.01 18 A 1 ATOM 136 C CG1 . ILE A 0 18 . -14.137 -8.428 -18.118 1.00 75.01 18 A 1 ATOM 137 C CG2 . ILE A 0 18 . -12.597 -7.682 -16.119 1.00 75.01 18 A 1 ATOM 138 C CD1 . ILE A 0 18 . -14.973 -7.142 -18.160 1.00 75.01 18 A 1 ATOM 139 N N . LEU A 0 19 . -12.350 -10.446 -14.355 1.00 71.94 19 A 1 ATOM 140 C CA . LEU A 0 19 . -11.482 -10.682 -13.197 1.00 71.94 19 A 1 ATOM 141 C C . LEU A 0 19 . -10.826 -12.075 -13.194 1.00 71.94 19 A 1 ATOM 142 C CB . LEU A 0 19 . -12.326 -10.468 -11.926 1.00 71.94 19 A 1 ATOM 143 O O . LEU A 0 19 . -9.793 -12.264 -12.557 1.00 71.94 19 A 1 ATOM 144 C CG . LEU A 0 19 . -11.547 -10.556 -10.601 1.00 71.94 19 A 1 ATOM 145 C CD1 . LEU A 0 19 . -10.481 -9.466 -10.486 1.00 71.94 19 A 1 ATOM 146 C CD2 . LEU A 0 19 . -12.518 -10.407 -9.428 1.00 71.94 19 A 1 ATOM 147 N N . LYS A 0 20 . -11.444 -13.069 -13.844 1.00 78.80 20 A 1 ATOM 148 C CA . LYS A 0 20 . -10.897 -14.428 -13.979 1.00 78.80 20 A 1 ATOM 149 C C . LYS A 0 20 . -9.977 -14.583 -15.188 1.00 78.80 20 A 1 ATOM 150 C CB . LYS A 0 20 . -12.042 -15.441 -14.079 1.00 78.80 20 A 1 ATOM 151 O O . LYS A 0 20 . -9.282 -15.600 -15.258 1.00 78.80 20 A 1 ATOM 152 C CG . LYS A 0 20 . -12.748 -15.678 -12.741 1.00 78.80 20 A 1 ATOM 153 C CD . LYS A 0 20 . -13.999 -16.519 -12.998 1.00 78.80 20 A 1 ATOM 154 C CE . LYS A 0 20 . -14.813 -16.650 -11.716 1.00 78.80 20 A 1 ATOM 155 N NZ . LYS A 0 20 . -16.047 -17.426 -11.972 1.00 78.80 20 A 1 ATOM 156 N N . ASP A 0 21 . -10.000 -13.656 -16.142 1.00 77.05 21 A 1 ATOM 157 C CA . ASP A 0 21 . -9.106 -13.681 -17.292 1.00 77.05 21 A 1 ATOM 158 C C . ASP A 0 21 . -7.836 -12.882 -16.982 1.00 77.05 21 A 1 ATOM 159 C CB . ASP A 0 21 . -9.815 -13.238 -18.586 1.00 77.05 21 A 1 ATOM 160 O O . ASP A 0 21 . -7.713 -11.699 -17.281 1.00 77.05 21 A 1 ATOM 161 C CG . ASP A 0 21 . -9.020 -13.650 -19.842 1.00 77.05 21 A 1 ATOM 162 O OD1 . ASP A 0 21 . -7.877 -14.168 -19.707 1.00 77.05 21 A 1 ATOM 163 O OD2 . ASP A 0 21 . -9.594 -13.592 -20.953 1.00 77.05 21 A 1 ATOM 164 N N . ASP A 0 22 . -6.837 -13.560 -16.410 1.00 70.64 22 A 1 ATOM 165 C CA . ASP A 0 22 . -5.513 -12.983 -16.124 1.00 70.64 22 A 1 ATOM 166 C C . ASP A 0 22 . -4.808 -12.394 -17.372 1.00 70.64 22 A 1 ATOM 167 C CB . ASP A 0 22 . -4.598 -14.062 -15.510 1.00 70.64 22 A 1 ATOM 168 O O . ASP A 0 22 . -3.767 -11.750 -17.237 1.00 70.64 22 A 1 ATOM 169 C CG . ASP A 0 22 . -4.978 -14.567 -14.111 1.00 70.64 22 A 1 ATOM 170 O OD1 . ASP A 0 22 . -5.677 -13.851 -13.365 1.00 70.64 22 A 1 ATOM 171 O OD2 . ASP A 0 22 . -4.521 -15.690 -13.784 1.00 70.64 22 A 1 ATOM 172 N N . LYS A 0 23 . -5.318 -12.635 -18.593 1.00 79.29 23 A 1 ATOM 173 C CA . LYS A 0 23 . -4.792 -12.060 -19.844 1.00 79.29 23 A 1 ATOM 174 C C . LYS A 0 23 . -5.534 -10.811 -20.320 1.00 79.29 23 A 1 ATOM 175 C CB . LYS A 0 23 . -4.790 -13.088 -20.978 1.00 79.29 23 A 1 ATOM 176 O O . LYS A 0 23 . -5.244 -10.345 -21.418 1.00 79.29 23 A 1 ATOM 177 C CG . LYS A 0 23 . -4.046 -14.376 -20.642 1.00 79.29 23 A 1 ATOM 178 C CD . LYS A 0 23 . -3.832 -15.154 -21.947 1.00 79.29 23 A 1 ATOM 179 C CE . LYS A 0 23 . -3.465 -16.606 -21.665 1.00 79.29 23 A 1 ATOM 180 N NZ . LYS A 0 23 . -4.657 -17.305 -21.136 1.00 79.29 23 A 1 ATOM 181 N N . GLU A 0 24 . -6.488 -10.290 -19.556 1.00 83.71 24 A 1 ATOM 182 C CA . GLU A 0 24 . -7.270 -9.130 -19.988 1.00 83.71 24 A 1 ATOM 183 C C . GLU A 0 24 . -6.442 -7.848 -20.113 1.00 83.71 24 A 1 ATOM 184 C CB . GLU A 0 24 . -8.427 -8.935 -19.019 1.00 83.71 24 A 1 ATOM 185 O O . GLU A 0 24 . -6.730 -7.000 -20.956 1.00 83.71 24 A 1 ATOM 186 C CG . GLU A 0 24 . -9.285 -7.732 -19.452 1.00 83.71 24 A 1 ATOM 187 C CD . GLU A 0 24 . -10.644 -7.727 -18.782 1.00 83.71 24 A 1 ATOM 188 O OE1 . GLU A 0 24 . -11.281 -6.650 -18.714 1.00 83.71 24 A 1 ATOM 189 O OE2 . GLU A 0 24 . -11.053 -8.827 -18.378 1.00 83.71 24 A 1 ATOM 190 N N . PHE A 0 25 . -5.380 -7.708 -19.321 1.00 83.24 25 A 1 ATOM 191 C CA . PHE A 0 25 . -4.472 -6.582 -19.485 1.00 83.24 25 A 1 ATOM 192 C C . PHE A 0 25 . -3.518 -6.831 -20.657 1.00 83.24 25 A 1 ATOM 193 C CB . PHE A 0 25 . -3.753 -6.276 -18.168 1.00 83.24 25 A 1 ATOM 194 O O . PHE A 0 25 . -2.734 -7.782 -20.652 1.00 83.24 25 A 1 ATOM 195 C CG . PHE A 0 25 . -4.689 -5.727 -17.107 1.00 83.24 25 A 1 ATOM 196 C CD1 . PHE A 0 25 . -5.023 -4.359 -17.105 1.00 83.24 25 A 1 ATOM 197 C CD2 . PHE A 0 25 . -5.267 -6.587 -16.153 1.00 83.24 25 A 1 ATOM 198 C CE1 . PHE A 0 25 . -5.922 -3.851 -16.150 1.00 83.24 25 A 1 ATOM 199 C CE2 . PHE A 0 25 . -6.168 -6.080 -15.200 1.00 83.24 25 A 1 ATOM 200 C CZ . PHE A 0 25 . -6.495 -4.712 -15.197 1.00 83.24 25 A 1 ATOM 201 N N . GLU A 0 26 . -3.557 -5.939 -21.647 1.00 84.85 26 A 1 ATOM 202 C CA . GLU A 0 26 . -2.532 -5.856 -22.687 1.00 84.85 26 A 1 ATOM 203 C C . GLU A 0 26 . -1.178 -5.497 -22.036 1.00 84.85 26 A 1 ATOM 204 C CB . GLU A 0 26 . -2.947 -4.841 -23.776 1.00 84.85 26 A 1 ATOM 205 O O . GLU A 0 26 . -1.107 -4.591 -21.202 1.00 84.85 26 A 1 ATOM 206 C CG . GLU A 0 26 . -4.263 -5.222 -24.493 1.00 84.85 26 A 1 ATOM 207 C CD . GLU A 0 26 . -4.658 -4.290 -25.660 1.00 84.85 26 A 1 ATOM 208 O OE1 . GLU A 0 26 . -5.789 -4.450 -26.177 1.00 84.85 26 A 1 ATOM 209 O OE2 . GLU A 0 26 . -3.832 -3.447 -26.079 1.00 84.85 26 A 1 ATOM 210 N N . GLU A 0 27 . -0.097 -6.217 -22.371 1.00 87.43 27 A 1 ATOM 211 C CA . GLU A 0 27 . 1.247 -5.901 -21.861 1.00 87.43 27 A 1 ATOM 212 C C . GLU A 0 27 . 1.651 -4.504 -22.356 1.00 87.43 27 A 1 ATOM 213 C CB . GLU A 0 27 . 2.270 -6.995 -22.261 1.00 87.43 27 A 1 ATOM 214 O O . GLU A 0 27 . 1.781 -4.286 -23.560 1.00 87.43 27 A 1 ATOM 215 C CG . GLU A 0 27 . 3.674 -6.794 -21.641 1.00 87.43 27 A 1 ATOM 216 C CD . GLU A 0 27 . 4.685 -7.939 -21.905 1.00 87.43 27 A 1 ATOM 217 O OE1 . GLU A 0 27 . 5.839 -7.842 -21.404 1.00 87.43 27 A 1 ATOM 218 O OE2 . GLU A 0 27 . 4.334 -8.936 -22.580 1.00 87.43 27 A 1 ATOM 219 N N . PHE A 0 28 . 1.825 -3.553 -21.431 1.00 88.96 28 A 1 ATOM 220 C CA . PHE A 0 28 . 2.259 -2.200 -21.775 1.00 88.96 28 A 1 ATOM 221 C C . PHE A 0 28 . 3.643 -2.229 -22.433 1.00 88.96 28 A 1 ATOM 222 C CB . PHE A 0 28 . 2.255 -1.283 -20.540 1.00 88.96 28 A 1 ATOM 223 O O . PHE A 0 28 . 4.533 -2.985 -22.032 1.00 88.96 28 A 1 ATOM 224 C CG . PHE A 0 28 . 0.872 -0.865 -20.071 1.00 88.96 28 A 1 ATOM 225 C CD1 . PHE A 0 28 . 0.288 0.317 -20.566 1.00 88.96 28 A 1 ATOM 226 C CD2 . PHE A 0 28 . 0.163 -1.656 -19.148 1.00 88.96 28 A 1 ATOM 227 C CE1 . PHE A 0 28 . -0.998 0.702 -20.146 1.00 88.96 28 A 1 ATOM 228 C CE2 . PHE A 0 28 . -1.122 -1.271 -18.726 1.00 88.96 28 A 1 ATOM 229 C CZ . PHE A 0 28 . -1.704 -0.094 -19.226 1.00 88.96 28 A 1 ATOM 230 N N . GLU A 0 29 . 3.831 -1.369 -23.434 1.00 90.02 29 A 1 ATOM 231 C CA . GLU A 0 29 . 5.142 -1.145 -24.036 1.00 90.02 29 A 1 ATOM 232 C C . GLU A 0 29 . 6.134 -0.687 -22.964 1.00 90.02 29 A 1 ATOM 233 C CB . GLU A 0 29 . 5.051 -0.089 -25.147 1.00 90.02 29 A 1 ATOM 234 O O . GLU A 0 29 . 5.821 0.170 -22.143 1.00 90.02 29 A 1 ATOM 235 C CG . GLU A 0 29 . 4.244 -0.555 -26.370 1.00 90.02 29 A 1 ATOM 236 C CD . GLU A 0 29 . 4.887 -1.722 -27.142 1.00 90.02 29 A 1 ATOM 237 O OE1 . GLU A 0 29 . 4.162 -2.356 -27.941 1.00 90.02 29 A 1 ATOM 238 O OE2 . GLU A 0 29 . 6.115 -1.939 -26.999 1.00 90.02 29 A 1 ATOM 239 N N . LYS A 0 30 . 7.347 -1.243 -22.976 1.00 85.71 30 A 1 ATOM 240 C CA . LYS A 0 30 . 8.386 -0.825 -22.029 1.00 85.71 30 A 1 ATOM 241 C C . LYS A 0 30 . 8.904 0.553 -22.407 1.00 85.71 30 A 1 ATOM 242 C CB . LYS A 0 30 . 9.529 -1.843 -21.964 1.00 85.71 30 A 1 ATOM 243 O O . LYS A 0 30 . 9.394 0.742 -23.523 1.00 85.71 30 A 1 ATOM 244 C CG . LYS A 0 30 . 9.049 -3.133 -21.298 1.00 85.71 30 A 1 ATOM 245 C CD . LYS A 0 30 . 10.158 -4.181 -21.243 1.00 85.71 30 A 1 ATOM 246 C CE . LYS A 0 30 . 9.533 -5.423 -20.609 1.00 85.71 30 A 1 ATOM 247 N NZ . LYS A 0 30 . 10.422 -6.599 -20.688 1.00 85.71 30 A 1 ATOM 248 N N . GLU A 0 31 . 8.882 1.481 -21.458 1.00 84.89 31 A 1 ATOM 249 C CA . GLU A 0 31 . 9.489 2.794 -21.634 1.00 84.89 31 A 1 ATOM 250 C C . GLU A 0 31 . 11.004 2.665 -21.860 1.00 84.89 31 A 1 ATOM 251 C CB . GLU A 0 31 . 9.178 3.721 -20.449 1.00 84.89 31 A 1 ATOM 252 O O . GLU A 0 31 . 11.712 1.926 -21.170 1.00 84.89 31 A 1 ATOM 253 C CG . GLU A 0 31 . 7.695 4.126 -20.348 1.00 84.89 31 A 1 ATOM 254 C CD . GLU A 0 31 . 6.753 3.022 -19.835 1.00 84.89 31 A 1 ATOM 255 O OE1 . GLU A 0 31 . 5.532 3.186 -20.046 1.00 84.89 31 A 1 ATOM 256 O OE2 . GLU A 0 31 . 7.261 2.043 -19.233 1.00 84.89 31 A 1 ATOM 257 N N . ASN A 0 32 . 11.517 3.391 -22.855 1.00 85.22 32 A 1 ATOM 258 C CA . ASN A 0 32 . 12.907 3.329 -23.313 1.00 85.22 32 A 1 ATOM 259 C C . ASN A 0 32 . 13.792 4.455 -22.750 1.00 85.22 32 A 1 ATOM 260 C CB . ASN A 0 32 . 12.934 3.251 -24.850 1.00 85.22 32 A 1 ATOM 261 O O . ASN A 0 32 . 14.768 4.838 -23.396 1.00 85.22 32 A 1 ATOM 262 C CG . ASN A 0 32 . 12.481 4.540 -25.519 1.00 85.22 32 A 1 ATOM 263 N ND2 . ASN A 0 32 . 12.956 4.817 -26.710 1.00 85.22 32 A 1 ATOM 264 O OD1 . ASN A 0 32 . 11.676 5.304 -25.020 1.00 85.22 32 A 1 ATOM 265 N N . TRP A 0 33 . 13.458 4.974 -21.570 1.00 85.80 33 A 1 ATOM 266 C CA . TRP A 0 33 . 14.253 5.981 -20.870 1.00 85.80 33 A 1 ATOM 267 C C . TRP A 0 33 . 15.594 5.440 -20.348 1.00 85.80 33 A 1 ATOM 268 C CB . TRP A 0 33 . 13.426 6.651 -19.765 1.00 85.80 33 A 1 ATOM 269 O O . TRP A 0 33 . 15.694 4.336 -19.804 1.00 85.80 33 A 1 ATOM 270 C CG . TRP A 0 33 . 12.651 5.787 -18.807 1.00 85.80 33 A 1 ATOM 271 C CD1 . TRP A 0 33 . 12.616 4.431 -18.746 1.00 85.80 33 A 1 ATOM 272 C CD2 . TRP A 0 33 . 11.771 6.245 -17.735 1.00 85.80 33 A 1 ATOM 273 C CE2 . TRP A 0 33 . 11.190 5.105 -17.103 1.00 85.80 33 A 1 ATOM 274 C CE3 . TRP A 0 33 . 11.419 7.511 -17.221 1.00 85.80 33 A 1 ATOM 275 N NE1 . TRP A 0 33 . 11.720 4.030 -17.778 1.00 85.80 33 A 1 ATOM 276 C CH2 . TRP A 0 33 . 9.966 6.486 -15.544 1.00 85.80 33 A 1 ATOM 277 C CZ2 . TRP A 0 33 . 10.292 5.210 -16.034 1.00 85.80 33 A 1 ATOM 278 C CZ3 . TRP A 0 33 . 10.533 7.630 -16.133 1.00 85.80 33 A 1 ATOM 279 N N . LEU A 0 34 . 16.652 6.227 -20.532 1.00 84.68 34 A 1 ATOM 280 C CA . LEU A 0 34 . 17.981 5.988 -19.967 1.00 84.68 34 A 1 ATOM 281 C C . LEU A 0 34 . 18.021 6.464 -18.509 1.00 84.68 34 A 1 ATOM 282 C CB . LEU A 0 34 . 19.018 6.746 -20.818 1.00 84.68 34 A 1 ATOM 283 O O . LEU A 0 34 . 17.404 7.460 -18.164 1.00 84.68 34 A 1 ATOM 284 C CG . LEU A 0 34 . 19.265 6.117 -22.204 1.00 84.68 34 A 1 ATOM 285 C CD1 . LEU A 0 34 . 19.482 7.192 -23.269 1.00 84.68 34 A 1 ATOM 286 C CD2 . LEU A 0 34 . 20.514 5.227 -22.175 1.00 84.68 34 A 1 ATOM 287 N N . THR A 0 35 . 18.855 5.856 -17.658 1.00 79.73 35 A 1 ATOM 288 C CA . THR A 0 35 . 19.068 6.341 -16.273 1.00 79.73 35 A 1 ATOM 289 C C . THR A 0 35 . 19.563 7.793 -16.215 1.00 79.73 35 A 1 ATOM 290 C CB . THR A 0 35 . 20.092 5.449 -15.553 1.00 79.73 35 A 1 ATOM 291 O O . THR A 0 35 . 19.393 8.475 -15.217 1.00 79.73 35 A 1 ATOM 292 C CG2 . THR A 0 35 . 20.179 5.679 -14.046 1.00 79.73 35 A 1 ATOM 293 O OG1 . THR A 0 35 . 19.768 4.089 -15.738 1.00 79.73 35 A 1 ATOM 294 N N . SER A 0 36 . 20.187 8.296 -17.284 1.00 83.08 36 A 1 ATOM 295 C CA . SER A 0 36 . 20.589 9.704 -17.385 1.00 83.08 36 A 1 ATOM 296 C C . SER A 0 36 . 19.437 10.670 -17.670 1.00 83.08 36 A 1 ATOM 297 C CB . SER A 0 36 . 21.638 9.860 -18.486 1.00 83.08 36 A 1 ATOM 298 O O . SER A 0 36 . 19.652 11.874 -17.589 1.00 83.08 36 A 1 ATOM 299 O OG . SER A 0 36 . 21.153 9.373 -19.726 1.00 83.08 36 A 1 ATOM 300 N N . GLU A 0 37 . 18.279 10.156 -18.083 1.00 84.04 37 A 1 ATOM 301 C CA . GLU A 0 37 . 17.048 10.913 -18.347 1.00 84.04 37 A 1 ATOM 302 C C . GLU A 0 37 . 16.110 10.916 -17.129 1.00 84.04 37 A 1 ATOM 303 C CB . GLU A 0 37 . 16.325 10.327 -19.577 1.00 84.04 37 A 1 ATOM 304 O O . GLU A 0 37 . 15.054 11.533 -17.188 1.00 84.04 37 A 1 ATOM 305 C CG . GLU A 0 37 . 17.156 10.413 -20.869 1.00 84.04 37 A 1 ATOM 306 C CD . GLU A 0 37 . 16.521 9.670 -22.057 1.00 84.04 37 A 1 ATOM 307 O OE1 . GLU A 0 37 . 16.789 10.087 -23.208 1.00 84.04 37 A 1 ATOM 308 O OE2 . GLU A 0 37 . 15.885 8.618 -21.834 1.00 84.04 37 A 1 ATOM 309 N N . GLU A 0 38 . 16.480 10.234 -16.038 1.00 80.28 38 A 1 ATOM 310 C CA . GLU A 0 38 . 15.754 10.288 -14.767 1.00 80.28 38 A 1 ATOM 311 C C . GLU A 0 38 . 15.885 11.701 -14.178 1.00 80.28 38 A 1 ATOM 312 C CB . GLU A 0 38 . 16.301 9.191 -13.833 1.00 80.28 38 A 1 ATOM 313 O O . GLU A 0 38 . 16.974 12.137 -13.785 1.00 80.28 38 A 1 ATOM 314 C CG . GLU A 0 38 . 15.482 9.010 -12.542 1.00 80.28 38 A 1 ATOM 315 C CD . GLU A 0 38 . 15.984 7.848 -11.656 1.00 80.28 38 A 1 ATOM 316 O OE1 . GLU A 0 38 . 15.324 7.568 -10.628 1.00 80.28 38 A 1 ATOM 317 O OE2 . GLU A 0 38 . 17.036 7.235 -11.971 1.00 80.28 38 A 1 ATOM 318 N N . GLU A 0 39 . 14.778 12.444 -14.151 1.00 81.28 39 A 1 ATOM 319 C CA . GLU A 0 39 . 14.752 13.807 -13.632 1.00 81.28 39 A 1 ATOM 320 C C . GLU A 0 39 . 14.554 13.782 -12.112 1.00 81.28 39 A 1 ATOM 321 C CB . GLU A 0 39 . 13.665 14.639 -14.333 1.00 81.28 39 A 1 ATOM 322 O O . GLU A 0 39 . 13.761 13.018 -11.571 1.00 81.28 39 A 1 ATOM 323 C CG . GLU A 0 39 . 13.964 14.952 -15.814 1.00 81.28 39 A 1 ATOM 324 C CD . GLU A 0 39 . 15.172 15.885 -16.033 1.00 81.28 39 A 1 ATOM 325 O OE1 . GLU A 0 39 . 15.827 15.785 -17.097 1.00 81.28 39 A 1 ATOM 326 O OE2 . GLU A 0 39 . 15.420 16.761 -15.166 1.00 81.28 39 A 1 ATOM 327 N N . ILE A 0 40 . 15.222 14.681 -11.382 1.00 77.43 40 A 1 ATOM 328 C CA . ILE A 0 40 . 15.089 14.773 -9.911 1.00 77.43 40 A 1 ATOM 329 C C . ILE A 0 40 . 13.628 15.031 -9.492 1.00 77.43 40 A 1 ATOM 330 C CB . ILE A 0 40 . 16.047 15.861 -9.364 1.00 77.43 40 A 1 ATOM 331 O O . ILE A 0 40 . 13.224 14.647 -8.394 1.00 77.43 40 A 1 ATOM 332 C CG1 . ILE A 0 40 . 17.518 15.437 -9.594 1.00 77.43 40 A 1 ATOM 333 C CG2 . ILE A 0 40 . 15.819 16.168 -7.869 1.00 77.43 40 A 1 ATOM 334 C CD1 . ILE A 0 40 . 18.535 16.563 -9.365 1.00 77.43 40 A 1 ATOM 335 N N . SER A 0 41 . 12.825 15.661 -10.358 1.00 77.72 41 A 1 ATOM 336 C CA . SER A 0 41 . 11.389 15.857 -10.131 1.00 77.72 41 A 1 ATOM 337 C C . SER A 0 41 . 10.604 14.551 -10.007 1.00 77.72 41 A 1 ATOM 338 C CB . SER A 0 41 . 10.776 16.693 -11.257 1.00 77.72 41 A 1 ATOM 339 O O . SER A 0 41 . 9.577 14.543 -9.330 1.00 77.72 41 A 1 ATOM 340 O OG . SER A 0 41 . 11.065 16.168 -12.538 1.00 77.72 41 A 1 ATOM 341 N N . ASP A 0 42 . 11.088 13.456 -10.597 1.00 77.44 42 A 1 ATOM 342 C CA . ASP A 0 42 . 10.420 12.151 -10.573 1.00 77.44 42 A 1 ATOM 343 C C . ASP A 0 42 . 10.512 11.478 -9.193 1.00 77.44 42 A 1 ATOM 344 C CB . ASP A 0 42 . 10.992 11.235 -11.670 1.00 77.44 42 A 1 ATOM 345 O O . ASP A 0 42 . 9.750 10.564 -8.878 1.00 77.44 42 A 1 ATOM 346 C CG . ASP A 0 42 . 10.831 11.797 -13.090 1.00 77.44 42 A 1 ATOM 347 O OD1 . ASP A 0 42 . 9.997 12.719 -13.276 1.00 77.44 42 A 1 ATOM 348 O OD2 . ASP A 0 42 . 11.548 11.303 -13.988 1.00 77.44 42 A 1 ATOM 349 N N . LEU A 0 43 . 11.397 11.964 -8.315 1.00 78.03 43 A 1 ATOM 350 C CA . LEU A 0 43 . 11.529 11.443 -6.953 1.00 78.03 43 A 1 ATOM 351 C C . LEU A 0 43 . 10.329 11.796 -6.058 1.00 78.03 43 A 1 ATOM 352 C CB . LEU A 0 43 . 12.837 11.960 -6.331 1.00 78.03 43 A 1 ATOM 353 O O . LEU A 0 43 . 10.077 11.089 -5.086 1.00 78.03 43 A 1 ATOM 354 C CG . LEU A 0 43 . 14.121 11.483 -7.036 1.00 78.03 43 A 1 ATOM 355 C CD1 . LEU A 0 43 . 15.329 12.148 -6.372 1.00 78.03 43 A 1 ATOM 356 C CD2 . LEU A 0 43 . 14.308 9.967 -6.937 1.00 78.03 43 A 1 ATOM 357 N N . GLN A 0 44 . 9.593 12.872 -6.361 1.00 79.72 44 A 1 ATOM 358 C CA . GLN A 0 44 . 8.461 13.367 -5.559 1.00 79.72 44 A 1 ATOM 359 C C . GLN A 0 44 . 7.146 13.359 -6.355 1.00 79.72 44 A 1 ATOM 360 C CB . GLN A 0 44 . 8.769 14.748 -4.956 1.00 79.72 44 A 1 ATOM 361 O O . GLN A 0 44 . 6.386 14.326 -6.347 1.00 79.72 44 A 1 ATOM 362 C CG . GLN A 0 44 . 9.951 14.741 -3.980 1.00 79.72 44 A 1 ATOM 363 C CD . GLN A 0 44 . 10.072 16.086 -3.274 1.00 79.72 44 A 1 ATOM 364 N NE2 . GLN A 0 44 . 9.376 16.282 -2.173 1.00 79.72 44 A 1 ATOM 365 O OE1 . GLN A 0 44 . 10.778 16.989 -3.702 1.00 79.72 44 A 1 ATOM 366 N N . VAL A 0 45 . 6.880 12.271 -7.081 1.00 83.05 45 A 1 ATOM 367 C CA . VAL A 0 45 . 5.631 12.103 -7.854 1.00 83.05 45 A 1 ATOM 368 C C . VAL A 0 45 . 4.424 11.848 -6.943 1.00 83.05 45 A 1 ATOM 369 C CB . VAL A 0 45 . 5.804 10.970 -8.886 1.00 83.05 45 A 1 ATOM 370 O O . VAL A 0 45 . 3.290 12.163 -7.306 1.00 83.05 45 A 1 ATOM 371 C CG1 . VAL A 0 45 . 4.528 10.632 -9.667 1.00 83.05 45 A 1 ATOM 372 C CG2 . VAL A 0 45 . 6.850 11.365 -9.929 1.00 83.05 45 A 1 ATOM 373 N N . TRP A 0 46 . 4.659 11.284 -5.759 1.00 85.18 46 A 1 ATOM 374 C CA . TRP A 0 46 . 3.618 10.929 -4.802 1.00 85.18 46 A 1 ATOM 375 C C . TRP A 0 46 . 3.443 12.068 -3.804 1.00 85.18 46 A 1 ATOM 376 C CB . TRP A 0 46 . 3.934 9.581 -4.140 1.00 85.18 46 A 1 ATOM 377 O O . TRP A 0 46 . 4.407 12.697 -3.378 1.00 85.18 46 A 1 ATOM 378 C CG . TRP A 0 46 . 3.942 8.405 -5.079 1.00 85.18 46 A 1 ATOM 379 C CD1 . TRP A 0 46 . 4.720 8.277 -6.180 1.00 85.18 46 A 1 ATOM 380 C CD2 . TRP A 0 46 . 3.178 7.161 -5.002 1.00 85.18 46 A 1 ATOM 381 C CE2 . TRP A 0 46 . 3.512 6.354 -6.133 1.00 85.18 46 A 1 ATOM 382 C CE3 . TRP A 0 46 . 2.265 6.612 -4.077 1.00 85.18 46 A 1 ATOM 383 N NE1 . TRP A 0 46 . 4.443 7.093 -6.825 1.00 85.18 46 A 1 ATOM 384 C CH2 . TRP A 0 46 . 2.053 4.570 -5.410 1.00 85.18 46 A 1 ATOM 385 C CZ2 . TRP A 0 46 . 2.954 5.088 -6.353 1.00 85.18 46 A 1 ATOM 386 C CZ3 . TRP A 0 46 . 1.726 5.325 -4.270 1.00 85.18 46 A 1 ATOM 387 N N . ASP A 0 47 . 2.195 12.362 -3.461 1.00 81.06 47 A 1 ATOM 388 C CA . ASP A 0 47 . 1.884 13.400 -2.488 1.00 81.06 47 A 1 ATOM 389 C C . ASP A 0 47 . 2.328 12.935 -1.096 1.00 81.06 47 A 1 ATOM 390 C CB . ASP A 0 47 . 0.375 13.674 -2.582 1.00 81.06 47 A 1 ATOM 391 O O . ASP A 0 47 . 1.832 11.918 -0.621 1.00 81.06 47 A 1 ATOM 392 C CG . ASP A 0 47 . -0.141 14.837 -1.740 1.00 81.06 47 A 1 ATOM 393 O OD1 . ASP A 0 47 . 0.517 15.314 -0.786 1.00 81.06 47 A 1 ATOM 394 O OD2 . ASP A 0 47 . -1.249 15.335 -2.051 1.00 81.06 47 A 1 ATOM 395 N N . ASP A 0 48 . 3.194 13.694 -0.416 1.00 80.01 48 A 1 ATOM 396 C CA . ASP A 0 48 . 3.648 13.406 0.958 1.00 80.01 48 A 1 ATOM 397 C C . ASP A 0 48 . 2.474 13.204 1.942 1.00 80.01 48 A 1 ATOM 398 C CB . ASP A 0 48 . 4.517 14.567 1.482 1.00 80.01 48 A 1 ATOM 399 O O . ASP A 0 48 . 2.624 12.581 2.991 1.00 80.01 48 A 1 ATOM 400 C CG . ASP A 0 48 . 5.806 14.865 0.699 1.00 80.01 48 A 1 ATOM 401 O OD1 . ASP A 0 48 . 6.320 13.979 -0.011 1.00 80.01 48 A 1 ATOM 402 O OD2 . ASP A 0 48 . 6.282 16.019 0.827 1.00 80.01 48 A 1 ATOM 403 N N . LYS A 0 49 . 1.272 13.701 1.608 1.00 79.14 49 A 1 ATOM 404 C CA . LYS A 0 49 . 0.039 13.441 2.367 1.00 79.14 49 A 1 ATOM 405 C C . LYS A 0 49 . -0.435 11.986 2.329 1.00 79.14 49 A 1 ATOM 406 C CB . LYS A 0 49 . -1.094 14.375 1.911 1.00 79.14 49 A 1 ATOM 407 O O . LYS A 0 49 . -1.280 11.637 3.144 1.00 79.14 49 A 1 ATOM 408 C CG . LYS A 0 49 . -0.809 15.861 2.183 1.00 79.14 49 A 1 ATOM 409 C CD . LYS A 0 49 . -1.988 16.781 1.839 1.00 79.14 49 A 1 ATOM 410 C CE . LYS A 0 49 . -2.299 16.829 0.346 1.00 79.14 49 A 1 ATOM 411 N NZ . LYS A 0 49 . -1.185 17.404 -0.429 1.00 79.14 49 A 1 ATOM 412 N N . TRP A 0 50 . 0.063 11.163 1.406 1.00 81.66 50 A 1 ATOM 413 C CA . TRP A 0 50 . -0.156 9.712 1.411 1.00 81.66 50 A 1 ATOM 414 C C . TRP A 0 50 . 0.615 9.046 2.550 1.00 81.66 50 A 1 ATOM 415 C CB . TRP A 0 50 . 0.279 9.097 0.074 1.00 81.66 50 A 1 ATOM 416 O O . TRP A 0 50 . 0.106 8.104 3.150 1.00 81.66 50 A 1 ATOM 417 C CG . TRP A 0 50 . -0.626 9.318 -1.100 1.00 81.66 50 A 1 ATOM 418 C CD1 . TRP A 0 50 . -1.227 10.478 -1.443 1.00 81.66 50 A 1 ATOM 419 C CD2 . TRP A 0 50 . -1.041 8.346 -2.106 1.00 81.66 50 A 1 ATOM 420 C CE2 . TRP A 0 50 . -1.886 9.004 -3.049 1.00 81.66 50 A 1 ATOM 421 C CE3 . TRP A 0 50 . -0.795 6.972 -2.311 1.00 81.66 50 A 1 ATOM 422 N NE1 . TRP A 0 50 . -1.960 10.304 -2.600 1.00 81.66 50 A 1 ATOM 423 C CH2 . TRP A 0 50 . -2.178 6.972 -4.326 1.00 81.66 50 A 1 ATOM 424 C CZ2 . TRP A 0 50 . -2.446 8.339 -4.150 1.00 81.66 50 A 1 ATOM 425 C CZ3 . TRP A 0 50 . -1.366 6.291 -3.403 1.00 81.66 50 A 1 ATOM 426 N N . ASP A 0 51 . 1.802 9.573 2.866 1.00 75.84 51 A 1 ATOM 427 C CA . ASP A 0 51 . 2.626 9.131 3.994 1.00 75.84 51 A 1 ATOM 428 C C . ASP A 0 51 . 2.199 9.766 5.316 1.00 75.84 51 A 1 ATOM 429 C CB . ASP A 0 51 . 4.100 9.483 3.738 1.00 75.84 51 A 1 ATOM 430 O O . ASP A 0 51 . 2.561 9.277 6.389 1.00 75.84 51 A 1 ATOM 431 C CG . ASP A 0 51 . 4.835 8.509 2.817 1.00 75.84 51 A 1 ATOM 432 O OD1 . ASP A 0 51 . 4.239 7.489 2.404 1.00 75.84 51 A 1 ATOM 433 O OD2 . ASP A 0 51 . 6.032 8.778 2.577 1.00 75.84 51 A 1 ATOM 434 N N . TYR A 0 52 . 1.444 10.867 5.282 1.00 79.33 52 A 1 ATOM 435 C CA . TYR A 0 52 . 0.852 11.375 6.506 1.00 79.33 52 A 1 ATOM 436 C C . TYR A 0 52 . -0.106 10.328 7.054 1.00 79.33 52 A 1 ATOM 437 C CB . TYR A 0 52 . 0.189 12.747 6.322 1.00 79.33 52 A 1 ATOM 438 O O . TYR A 0 52 . -1.155 10.047 6.475 1.00 79.33 52 A 1 ATOM 439 C CG . TYR A 0 52 . 1.121 13.903 5.986 1.00 79.33 52 A 1 ATOM 440 C CD1 . TYR A 0 52 . 2.500 13.868 6.285 1.00 79.33 52 A 1 ATOM 441 C CD2 . TYR A 0 52 . 0.589 15.041 5.358 1.00 79.33 52 A 1 ATOM 442 C CE1 . TYR A 0 52 . 3.345 14.915 5.879 1.00 79.33 52 A 1 ATOM 443 C CE2 . TYR A 0 52 . 1.434 16.085 4.931 1.00 79.33 52 A 1 ATOM 444 O OH . TYR A 0 52 . 3.632 17.001 4.726 1.00 79.33 52 A 1 ATOM 445 C CZ . TYR A 0 52 . 2.817 16.011 5.170 1.00 79.33 52 A 1 ATOM 446 N N . GLU A 0 53 . 0.243 9.806 8.227 1.00 68.77 53 A 1 ATOM 447 C CA . GLU A 0 53 . -0.700 9.172 9.133 1.00 68.77 53 A 1 ATOM 448 C C . GLU A 0 53 . -1.740 10.228 9.529 1.00 68.77 53 A 1 ATOM 449 C CB . GLU A 0 53 . 0.011 8.581 10.366 1.00 68.77 53 A 1 ATOM 450 O O . GLU A 0 53 . -1.665 10.855 10.584 1.00 68.77 53 A 1 ATOM 451 C CG . GLU A 0 53 . 1.015 7.465 10.028 1.00 68.77 53 A 1 ATOM 452 C CD . GLU A 0 53 . 1.451 6.629 11.250 1.00 68.77 53 A 1 ATOM 453 O OE1 . GLU A 0 53 . 2.244 5.679 11.052 1.00 68.77 53 A 1 ATOM 454 O OE2 . GLU A 0 53 . 0.989 6.905 12.382 1.00 68.77 53 A 1 ATOM 455 N N . VAL A 0 54 . -2.705 10.494 8.647 1.00 70.59 54 A 1 ATOM 456 C CA . VAL A 0 54 . -3.946 11.146 9.041 1.00 70.59 54 A 1 ATOM 457 C C . VAL A 0 54 . -4.518 10.239 10.114 1.00 70.59 54 A 1 ATOM 458 C CB . VAL A 0 54 . -4.912 11.324 7.857 1.00 70.59 54 A 1 ATOM 459 O O . VAL A 0 54 . -4.834 9.080 9.836 1.00 70.59 54 A 1 ATOM 460 C CG1 . VAL A 0 54 . -6.238 11.942 8.320 1.00 70.59 54 A 1 ATOM 461 C CG2 . VAL A 0 54 . -4.304 12.253 6.796 1.00 70.59 54 A 1 ATOM 462 N N . GLU A 0 55 . -4.539 10.737 11.353 1.00 66.27 55 A 1 ATOM 463 C CA . GLU A 0 55 . -4.929 9.938 12.506 1.00 66.27 55 A 1 ATOM 464 C C . GLU A 0 55 . -6.235 9.206 12.195 1.00 66.27 55 A 1 ATOM 465 C CB . GLU A 0 55 . -5.065 10.784 13.783 1.00 66.27 55 A 1 ATOM 466 O O . GLU A 0 55 . -7.219 9.810 11.765 1.00 66.27 55 A 1 ATOM 467 C CG . GLU A 0 55 . -3.704 11.275 14.316 1.00 66.27 55 A 1 ATOM 468 C CD . GLU A 0 55 . -3.707 11.642 15.815 1.00 66.27 55 A 1 ATOM 469 O OE1 . GLU A 0 55 . -2.721 12.273 16.263 1.00 66.27 55 A 1 ATOM 470 O OE2 . GLU A 0 55 . -4.669 11.279 16.530 1.00 66.27 55 A 1 ATOM 471 N N . ILE A 0 56 . -6.223 7.885 12.398 1.00 64.81 56 A 1 ATOM 472 C CA . ILE A 0 56 . -7.288 6.933 12.040 1.00 64.81 56 A 1 ATOM 473 C C . ILE A 0 56 . -8.563 7.158 12.891 1.00 64.81 56 A 1 ATOM 474 C CB . ILE A 0 56 . -6.701 5.486 12.068 1.00 64.81 56 A 1 ATOM 475 O O . ILE A 0 56 . -9.409 6.278 13.014 1.00 64.81 56 A 1 ATOM 476 C CG1 . ILE A 0 56 . -5.567 5.336 11.020 1.00 64.81 56 A 1 ATOM 477 C CG2 . ILE A 0 56 . -7.729 4.359 11.823 1.00 64.81 56 A 1 ATOM 478 C CD1 . ILE A 0 56 . -4.694 4.084 11.203 1.00 64.81 56 A 1 ATOM 479 N N . ASP A 0 57 . -8.757 8.344 13.464 1.00 63.45 57 A 1 ATOM 480 C CA . ASP A 0 57 . -10.007 8.777 14.089 1.00 63.45 57 A 1 ATOM 481 C C . ASP A 0 57 . -10.871 9.638 13.151 1.00 63.45 57 A 1 ATOM 482 C CB . ASP A 0 57 . -9.747 9.407 15.463 1.00 63.45 57 A 1 ATOM 483 O O . ASP A 0 57 . -11.625 10.513 13.580 1.00 63.45 57 A 1 ATOM 484 C CG . ASP A 0 57 . -11.021 9.434 16.321 1.00 63.45 57 A 1 ATOM 485 O OD1 . ASP A 0 57 . -11.890 8.542 16.135 1.00 63.45 57 A 1 ATOM 486 O OD2 . ASP A 0 57 . -11.116 10.310 17.208 1.00 63.45 57 A 1 ATOM 487 N N . ASP A 0 58 . -10.789 9.379 11.843 1.00 72.90 58 A 1 ATOM 488 C CA . ASP A 0 58 . -11.780 9.886 10.899 1.00 72.90 58 A 1 ATOM 489 C C . ASP A 0 58 . -13.180 9.337 11.242 1.00 72.90 58 A 1 ATOM 490 C CB . ASP A 0 58 . -11.362 9.591 9.447 1.00 72.90 58 A 1 ATOM 491 O O . ASP A 0 58 . -13.347 8.220 11.750 1.00 72.90 58 A 1 ATOM 492 C CG . ASP A 0 58 . -12.311 10.229 8.421 1.00 72.90 58 A 1 ATOM 493 O OD1 . ASP A 0 58 . -12.969 11.240 8.765 1.00 72.90 58 A 1 ATOM 494 O OD2 . ASP A 0 58 . -12.467 9.643 7.331 1.00 72.90 58 A 1 ATOM 495 N N . GLN A 0 59 . -14.215 10.120 10.932 1.00 84.74 59 A 1 ATOM 496 C CA . GLN A 0 59 . -15.619 9.791 11.177 1.00 84.74 59 A 1 ATOM 497 C C . GLN A 0 59 . -15.984 8.410 10.614 1.00 84.74 59 A 1 ATOM 498 C CB . GLN A 0 59 . -16.518 10.855 10.525 1.00 84.74 59 A 1 ATOM 499 O O . GLN A 0 59 . -16.795 7.696 11.205 1.00 84.74 59 A 1 ATOM 500 C CG . GLN A 0 59 . -16.284 12.272 11.068 1.00 84.74 59 A 1 ATOM 501 C CD . GLN A 0 59 . -17.280 13.262 10.476 1.00 84.74 59 A 1 ATOM 502 N NE2 . GLN A 0 59 . -18.457 13.398 11.050 1.00 84.74 59 A 1 ATOM 503 O OE1 . GLN A 0 59 . -17.053 13.930 9.484 1.00 84.74 59 A 1 ATOM 504 N N . PHE A 0 60 . -15.361 8.009 9.499 1.00 84.21 60 A 1 ATOM 505 C CA . PHE A 0 60 . -15.515 6.675 8.928 1.00 84.21 60 A 1 ATOM 506 C C . PHE A 0 60 . -15.096 5.565 9.901 1.00 84.21 60 A 1 ATOM 507 C CB . PHE A 0 60 . -14.713 6.582 7.626 1.00 84.21 60 A 1 ATOM 508 O O . PHE A 0 60 . -15.860 4.621 10.111 1.00 84.21 60 A 1 ATOM 509 C CG . PHE A 0 60 . -14.818 5.212 6.988 1.00 84.21 60 A 1 ATOM 510 C CD1 . PHE A 0 60 . -13.751 4.299 7.083 1.00 84.21 60 A 1 ATOM 511 C CD2 . PHE A 0 60 . -16.012 4.829 6.348 1.00 84.21 60 A 1 ATOM 512 C CE1 . PHE A 0 60 . -13.876 3.011 6.533 1.00 84.21 60 A 1 ATOM 513 C CE2 . PHE A 0 60 . -16.137 3.540 5.800 1.00 84.21 60 A 1 ATOM 514 C CZ . PHE A 0 60 . -15.068 2.632 5.892 1.00 84.21 60 A 1 ATOM 515 N N . THR A 0 61 . -13.935 5.686 10.551 1.00 84.83 61 A 1 ATOM 516 C CA . THR A 0 61 . -13.473 4.702 11.538 1.00 84.83 61 A 1 ATOM 517 C C . THR A 0 61 . -14.414 4.642 12.735 1.00 84.83 61 A 1 ATOM 518 C CB . THR A 0 61 . -12.064 5.015 12.056 1.00 84.83 61 A 1 ATOM 519 O O . THR A 0 61 . -14.684 3.556 13.248 1.00 84.83 61 A 1 ATOM 520 C CG2 . THR A 0 61 . -11.512 3.829 12.855 1.00 84.83 61 A 1 ATOM 521 O OG1 . THR A 0 61 . -11.174 5.234 10.996 1.00 84.83 61 A 1 ATOM 522 N N . GLN A 0 62 . -14.957 5.781 13.171 1.00 87.04 62 A 1 ATOM 523 C CA . GLN A 0 62 . -15.935 5.814 14.261 1.00 87.04 62 A 1 ATOM 524 C C . GLN A 0 62 . -17.214 5.055 13.887 1.00 87.04 62 A 1 ATOM 525 C CB . GLN A 0 62 . -16.258 7.259 14.658 1.00 87.04 62 A 1 ATOM 526 O O . GLN A 0 62 . -17.669 4.212 14.663 1.00 87.04 62 A 1 ATOM 527 C CG . GLN A 0 62 . -15.032 7.999 15.209 1.00 87.04 62 A 1 ATOM 528 C CD . GLN A 0 62 . -15.359 9.440 15.581 1.00 87.04 62 A 1 ATOM 529 N NE2 . GLN A 0 62 . -14.503 10.372 15.233 1.00 87.04 62 A 1 ATOM 530 O OE1 . GLN A 0 62 . -16.398 9.744 16.158 1.00 87.04 62 A 1 ATOM 531 N N . TYR A 0 63 . -17.759 5.280 12.686 1.00 88.91 63 A 1 ATOM 532 C CA . TYR A 0 63 . -18.911 4.521 12.192 1.00 88.91 63 A 1 ATOM 533 C C . TYR A 0 63 . -18.600 3.027 12.056 1.00 88.91 63 A 1 ATOM 534 C CB . TYR A 0 63 . -19.392 5.086 10.849 1.00 88.91 63 A 1 ATOM 535 O O . TYR A 0 63 . -19.394 2.195 12.495 1.00 88.91 63 A 1 ATOM 536 C CG . TYR A 0 63 . -20.131 6.405 10.948 1.00 88.91 63 A 1 ATOM 537 C CD1 . TYR A 0 63 . -21.296 6.498 11.735 1.00 88.91 63 A 1 ATOM 538 C CD2 . TYR A 0 63 . -19.678 7.529 10.232 1.00 88.91 63 A 1 ATOM 539 C CE1 . TYR A 0 63 . -21.997 7.715 11.818 1.00 88.91 63 A 1 ATOM 540 C CE2 . TYR A 0 63 . -20.370 8.752 10.317 1.00 88.91 63 A 1 ATOM 541 O OH . TYR A 0 63 . -22.209 10.020 11.189 1.00 88.91 63 A 1 ATOM 542 C CZ . TYR A 0 63 . -21.533 8.843 11.112 1.00 88.91 63 A 1 ATOM 543 N N . LEU A 0 64 . -17.429 2.672 11.521 1.00 87.88 64 A 1 ATOM 544 C CA . LEU A 0 64 . -17.002 1.280 11.400 1.00 87.88 64 A 1 ATOM 545 C C . LEU A 0 64 . -16.901 0.599 12.773 1.00 87.88 64 A 1 ATOM 546 C CB . LEU A 0 64 . -15.666 1.237 10.638 1.00 87.88 64 A 1 ATOM 547 O O . LEU A 0 64 . -17.403 -0.510 12.948 1.00 87.88 64 A 1 ATOM 548 C CG . LEU A 0 64 . -15.107 -0.183 10.433 1.00 87.88 64 A 1 ATOM 549 C CD1 . LEU A 0 64 . -16.053 -1.072 9.622 1.00 87.88 64 A 1 ATOM 550 C CD2 . LEU A 0 64 . -13.769 -0.101 9.703 1.00 87.88 64 A 1 ATOM 551 N N . ARG A 0 65 . -16.307 1.270 13.768 1.00 86.42 65 A 1 ATOM 552 C CA . ARG A 0 65 . -16.239 0.773 15.151 1.00 86.42 65 A 1 ATOM 553 C C . ARG A 0 65 . -17.633 0.562 15.733 1.00 86.42 65 A 1 ATOM 554 C CB . ARG A 0 65 . -15.432 1.733 16.037 1.00 86.42 65 A 1 ATOM 555 O O . ARG A 0 65 . -17.874 -0.488 16.314 1.00 86.42 65 A 1 ATOM 556 C CG . ARG A 0 65 . -13.920 1.636 15.792 1.00 86.42 65 A 1 ATOM 557 C CD . ARG A 0 65 . -13.197 2.696 16.634 1.00 86.42 65 A 1 ATOM 558 N NE . ARG A 0 65 . -11.745 2.716 16.379 1.00 86.42 65 A 1 ATOM 559 N NH1 . ARG A 0 65 . -11.120 0.955 17.719 1.00 86.42 65 A 1 ATOM 560 N NH2 . ARG A 0 65 . -9.572 2.086 16.569 1.00 86.42 65 A 1 ATOM 561 C CZ . ARG A 0 65 . -10.824 1.919 16.889 1.00 86.42 65 A 1 ATOM 562 N N . GLN A 0 66 . -18.554 1.508 15.547 1.00 89.51 66 A 1 ATOM 563 C CA . GLN A 0 66 . -19.935 1.375 16.021 1.00 89.51 66 A 1 ATOM 564 C C . GLN A 0 66 . -20.642 0.160 15.408 1.00 89.51 66 A 1 ATOM 565 C CB . GLN A 0 66 . -20.730 2.646 15.695 1.00 89.51 66 A 1 ATOM 566 O O . GLN A 0 66 . -21.286 -0.597 16.133 1.00 89.51 66 A 1 ATOM 567 C CG . GLN A 0 66 . -20.336 3.846 16.565 1.00 89.51 66 A 1 ATOM 568 C CD . GLN A 0 66 . -20.984 5.145 16.093 1.00 89.51 66 A 1 ATOM 569 N NE2 . GLN A 0 66 . -20.618 6.266 16.673 1.00 89.51 66 A 1 ATOM 570 O OE1 . GLN A 0 66 . -21.845 5.187 15.227 1.00 89.51 66 A 1 ATOM 571 N N . GLU A 0 67 . -20.511 -0.056 14.097 1.00 89.86 67 A 1 ATOM 572 C CA . GLU A 0 67 . -21.099 -1.222 13.425 1.00 89.86 67 A 1 ATOM 573 C C . GLU A 0 67 . -20.471 -2.538 13.900 1.00 89.86 67 A 1 ATOM 574 C CB . GLU A 0 67 . -20.989 -1.076 11.897 1.00 89.86 67 A 1 ATOM 575 O O . GLU A 0 67 . -21.187 -3.490 14.212 1.00 89.86 67 A 1 ATOM 576 C CG . GLU A 0 67 . -21.924 0.000 11.317 1.00 89.86 67 A 1 ATOM 577 C CD . GLU A 0 67 . -23.393 -0.214 11.716 1.00 89.86 67 A 1 ATOM 578 O OE1 . GLU A 0 67 . -24.016 0.733 12.259 1.00 89.86 67 A 1 ATOM 579 O OE2 . GLU A 0 67 . -23.905 -1.344 11.581 1.00 89.86 67 A 1 ATOM 580 N N . LEU A 0 68 . -19.147 -2.593 14.057 1.00 89.81 68 A 1 ATOM 581 C CA . LEU A 0 68 . -18.474 -3.781 14.586 1.00 89.81 68 A 1 ATOM 582 C C . LEU A 0 68 . -18.839 -4.069 16.053 1.00 89.81 68 A 1 ATOM 583 C CB . LEU A 0 68 . -16.960 -3.623 14.419 1.00 89.81 68 A 1 ATOM 584 O O . LEU A 0 68 . -18.971 -5.238 16.419 1.00 89.81 68 A 1 ATOM 585 C CG . LEU A 0 68 . -16.437 -3.706 12.974 1.00 89.81 68 A 1 ATOM 586 C CD1 . LEU A 0 68 . -14.933 -3.422 12.970 1.00 89.81 68 A 1 ATOM 587 C CD2 . LEU A 0 68 . -16.662 -5.087 12.355 1.00 89.81 68 A 1 ATOM 588 N N . THR A 0 69 . -19.053 -3.041 16.882 1.00 89.42 69 A 1 ATOM 589 C CA . THR A 0 69 . -19.579 -3.201 18.249 1.00 89.42 69 A 1 ATOM 590 C C . THR A 0 69 . -21.009 -3.746 18.227 1.00 89.42 69 A 1 ATOM 591 C CB . THR A 0 69 . -19.521 -1.885 19.042 1.00 89.42 69 A 1 ATOM 592 O O . THR A 0 69 . -21.309 -4.681 18.968 1.00 89.42 69 A 1 ATOM 593 C CG2 . THR A 0 69 . -20.036 -2.025 20.475 1.00 89.42 69 A 1 ATOM 594 O OG1 . THR A 0 69 . -18.187 -1.456 19.169 1.00 89.42 69 A 1 ATOM 595 N N . LYS A 0 70 . -21.889 -3.251 17.340 1.00 88.02 70 A 1 ATOM 596 C CA . LYS A 0 70 . -23.253 -3.800 17.172 1.00 88.02 70 A 1 ATOM 597 C C . LYS A 0 70 . -23.245 -5.277 16.777 1.00 88.02 70 A 1 ATOM 598 C CB . LYS A 0 70 . -24.026 -3.026 16.097 1.00 88.02 70 A 1 ATOM 599 O O . LYS A 0 70 . -24.087 -6.037 17.248 1.00 88.02 70 A 1 ATOM 600 C CG . LYS A 0 70 . -24.459 -1.620 16.523 1.00 88.02 70 A 1 ATOM 601 C CD . LYS A 0 70 . -25.049 -0.916 15.297 1.00 88.02 70 A 1 ATOM 602 C CE . LYS A 0 70 . -25.329 0.559 15.570 1.00 88.02 70 A 1 ATOM 603 N NZ . LYS A 0 70 . -25.667 1.238 14.298 1.00 88.02 70 A 1 ATOM 604 N N . LEU A 0 71 . -22.299 -5.682 15.929 1.00 89.34 71 A 1 ATOM 605 C CA . LEU A 0 71 . -22.112 -7.075 15.512 1.00 89.34 71 A 1 ATOM 606 C C . LEU A 0 71 . -21.409 -7.940 16.578 1.00 89.34 71 A 1 ATOM 607 C CB . LEU A 0 71 . -21.362 -7.093 14.167 1.00 89.34 71 A 1 ATOM 608 O O . LEU A 0 71 . -21.285 -9.149 16.398 1.00 89.34 71 A 1 ATOM 609 C CG . LEU A 0 71 . -22.147 -6.488 12.985 1.00 89.34 71 A 1 ATOM 610 C CD1 . LEU A 0 71 . -21.231 -6.401 11.764 1.00 89.34 71 A 1 ATOM 611 C CD2 . LEU A 0 71 . -23.373 -7.325 12.610 1.00 89.34 71 A 1 ATOM 612 N N . GLY A 0 72 . -20.963 -7.346 17.691 1.00 83.00 72 A 1 ATOM 613 C CA . GLY A 0 72 . -20.282 -8.047 18.782 1.00 83.00 72 A 1 ATOM 614 C C . GLY A 0 72 . -18.831 -8.431 18.475 1.00 83.00 72 A 1 ATOM 615 O O . GLY A 0 72 . -18.260 -9.259 19.179 1.00 83.00 72 A 1 ATOM 616 N N . HIS A 0 73 . -18.224 -7.860 17.430 1.00 82.87 73 A 1 ATOM 617 C CA . HIS A 0 73 . -16.827 -8.118 17.058 1.00 82.87 73 A 1 ATOM 618 C C . HIS A 0 73 . -15.824 -7.280 17.863 1.00 82.87 73 A 1 ATOM 619 C CB . HIS A 0 73 . -16.651 -7.887 15.551 1.00 82.87 73 A 1 ATOM 620 O O . HIS A 0 73 . -14.657 -7.654 17.967 1.00 82.87 73 A 1 ATOM 621 C CG . HIS A 0 73 . -17.413 -8.871 14.701 1.00 82.87 73 A 1 ATOM 622 C CD2 . HIS A 0 73 . -18.145 -8.593 13.578 1.00 82.87 73 A 1 ATOM 623 N ND1 . HIS A 0 73 . -17.502 -10.228 14.915 1.00 82.87 73 A 1 ATOM 624 C CE1 . HIS A 0 73 . -18.276 -10.751 13.952 1.00 82.87 73 A 1 ATOM 625 N NE2 . HIS A 0 73 . -18.685 -9.795 13.107 1.00 82.87 73 A 1 ATOM 626 N N . LEU A 0 74 . -16.270 -6.167 18.448 1.00 76.10 74 A 1 ATOM 627 C CA . LEU A 0 74 . -15.477 -5.303 19.322 1.00 76.10 74 A 1 ATOM 628 C C . LEU A 0 74 . -16.142 -5.231 20.703 1.00 76.10 74 A 1 ATOM 629 C CB . LEU A 0 74 . -15.309 -3.926 18.643 1.00 76.10 74 A 1 ATOM 630 O O . LEU A 0 74 . -17.288 -4.809 20.827 1.00 76.10 74 A 1 ATOM 631 C CG . LEU A 0 74 . -13.997 -3.829 17.837 1.00 76.10 74 A 1 ATOM 632 C CD1 . LEU A 0 74 . -14.117 -2.860 16.665 1.00 76.10 74 A 1 ATOM 633 C CD2 . LEU A 0 74 . -12.855 -3.321 18.719 1.00 76.10 74 A 1 ATOM 634 N N . HIS A 0 75 . -15.422 -5.665 21.741 1.00 68.70 75 A 1 ATOM 635 C CA . HIS A 0 75 . -15.836 -5.489 23.134 1.00 68.70 75 A 1 ATOM 636 C C . HIS A 0 75 . -15.429 -4.082 23.582 1.00 68.70 75 A 1 ATOM 637 C CB . HIS A 0 75 . -15.183 -6.560 24.026 1.00 68.70 75 A 1 ATOM 638 O O . HIS A 0 75 . -14.259 -3.723 23.458 1.00 68.70 75 A 1 ATOM 639 C CG . HIS A 0 75 . -15.764 -7.951 23.906 1.00 68.70 75 A 1 ATOM 640 C CD2 . HIS A 0 75 . -15.959 -8.691 22.767 1.00 68.70 75 A 1 ATOM 641 N ND1 . HIS A 0 75 . -16.173 -8.732 24.964 1.00 68.70 75 A 1 ATOM 642 C CE1 . HIS A 0 75 . -16.605 -9.906 24.477 1.00 68.70 75 A 1 ATOM 643 N NE2 . HIS A 0 75 . -16.485 -9.932 23.145 1.00 68.70 75 A 1 ATOM 644 N N . GLU A 0 76 . -16.369 -3.293 24.106 1.00 63.70 76 A 1 ATOM 645 C CA . GLU A 0 76 . -16.067 -2.001 24.730 1.00 63.70 76 A 1 ATOM 646 C C . GLU A 0 76 . -15.073 -2.221 25.885 1.00 63.70 76 A 1 ATOM 647 C CB . GLU A 0 76 . -17.365 -1.332 25.228 1.00 63.70 76 A 1 ATOM 648 O O . GLU A 0 76 . -15.413 -2.798 26.920 1.00 63.70 76 A 1 ATOM 649 C CG . GLU A 0 76 . -18.308 -0.920 24.081 1.00 63.70 76 A 1 ATOM 650 C CD . GLU A 0 76 . -19.657 -0.344 24.554 1.00 63.70 76 A 1 ATOM 651 O OE1 . GLU A 0 76 . -20.473 -0.012 23.663 1.00 63.70 76 A 1 ATOM 652 O OE2 . GLU A 0 76 . -19.888 -0.261 25.782 1.00 63.70 76 A 1 ATOM 653 N N . THR A 0 77 . -13.815 -1.816 25.705 1.00 57.51 77 A 1 ATOM 654 C CA . THR A 0 77 . -12.850 -1.740 26.804 1.00 57.51 77 A 1 ATOM 655 C C . THR A 0 77 . -13.154 -0.466 27.590 1.00 57.51 77 A 1 ATOM 656 C CB . THR A 0 77 . -11.396 -1.757 26.301 1.00 57.51 77 A 1 ATOM 657 O O . THR A 0 77 . -12.850 0.623 27.107 1.00 57.51 77 A 1 ATOM 658 C CG2 . THR A 0 77 . -11.028 -3.090 25.642 1.00 57.51 77 A 1 ATOM 659 O OG1 . THR A 0 77 . -11.186 -0.744 25.346 1.00 57.51 77 A 1 ATOM 660 N N . ASN A 0 78 . -13.816 -0.622 28.741 1.00 41.63 78 A 1 ATOM 661 C CA . ASN A 0 78 . -14.055 0.424 29.749 1.00 41.63 78 A 1 ATOM 662 C C . ASN A 0 78 . -12.767 1.164 30.137 1.00 41.63 78 A 1 ATOM 663 C CB . ASN A 0 78 . -14.698 -0.263 30.972 1.00 41.63 78 A 1 ATOM 664 O O . ASN A 0 78 . -11.754 0.459 30.361 1.00 41.63 78 A 1 ATOM 665 C CG . ASN A 0 78 . -15.094 0.653 32.123 1.00 41.63 78 A 1 ATOM 666 N ND2 . ASN A 0 78 . -15.214 0.096 33.306 1.00 41.63 78 A 1 ATOM 667 O OD1 . ASN A 0 78 . -15.404 1.824 32.020 1.00 41.63 78 A 1 ATOM 668 O OXT . ASN A 0 78 . -12.850 2.400 30.267 1.00 41.63 78 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 76.95 # loop_ _atom_type.symbol C N O S #