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 LYS 0 4 ASP 0 5 LYS 0 6 ALA 0 7 ASP 0 8 ASP 0 9 VAL 0 10 LEU 0 11 ARG 0 12 HIS 0 13 PHE 0 14 ILE 0 15 LYS 0 16 HIS 0 17 THR 0 18 GLU 0 19 LYS 0 20 SER 0 21 ASN 0 22 VAL 0 23 ARG 0 24 ARG 0 25 SER 0 26 VAL 0 27 ILE 0 28 VAL 0 29 GLN 0 30 ALA 0 31 THR 0 32 ASN 0 33 ARG 0 34 LYS 0 35 VAL 0 36 SER 0 37 LYS 0 38 ILE 0 39 ALA 0 40 LEU 0 41 VAL 0 42 ALA 0 43 PHE 0 44 GLY 0 45 PHE 0 46 ALA 0 47 PHE 0 48 ALA 0 49 SER 0 50 TYR 0 51 PHE 0 52 TYR 0 53 SER 0 54 LEU 0 55 TYR 0 56 ALA 0 57 ILE 0 58 LYS 0 59 ARG 0 60 ASN 0 61 ARG 0 62 GLU 0 63 LEU 0 64 GLY 0 65 THR 0 66 SER 0 67 PHE 0 68 ASP 0 69 GLN 0 70 LEU 0 71 PRO 0 72 PRO 0 73 TYR 0 74 THR 0 75 SER 0 76 SER 0 77 GLU # 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 . 39.686 19.260 -26.445 1.00 66.80 1 A 1 ATOM 2 C CA . MET A 0 1 . 38.305 18.817 -26.752 1.00 66.80 1 A 1 ATOM 3 C C . MET A 0 1 . 37.470 20.074 -26.967 1.00 66.80 1 A 1 ATOM 4 C CB . MET A 0 1 . 37.764 17.955 -25.591 1.00 66.80 1 A 1 ATOM 5 O O . MET A 0 1 . 37.590 20.957 -26.130 1.00 66.80 1 A 1 ATOM 6 C CG . MET A 0 1 . 36.649 16.990 -26.016 1.00 66.80 1 A 1 ATOM 7 S SD . MET A 0 1 . 36.965 15.266 -25.542 1.00 66.80 1 A 1 ATOM 8 C CE . MET A 0 1 . 36.102 15.163 -23.946 1.00 66.80 1 A 1 ATOM 9 N N . SER A 0 2 . 36.724 20.223 -28.073 1.00 88.21 2 A 1 ATOM 10 C CA . SER A 0 2 . 35.848 21.405 -28.235 1.00 88.21 2 A 1 ATOM 11 C C . SER A 0 2 . 34.795 21.412 -27.125 1.00 88.21 2 A 1 ATOM 12 C CB . SER A 0 2 . 35.137 21.463 -29.599 1.00 88.21 2 A 1 ATOM 13 O O . SER A 0 2 . 34.291 20.341 -26.777 1.00 88.21 2 A 1 ATOM 14 O OG . SER A 0 2 . 34.475 22.709 -29.655 1.00 88.21 2 A 1 ATOM 15 N N . LYS A 0 3 . 34.470 22.592 -26.586 1.00 91.09 3 A 1 ATOM 16 C CA . LYS A 0 3 . 33.452 22.775 -25.541 1.00 91.09 3 A 1 ATOM 17 C C . LYS A 0 3 . 32.116 22.137 -25.945 1.00 91.09 3 A 1 ATOM 18 C CB . LYS A 0 3 . 33.331 24.281 -25.260 1.00 91.09 3 A 1 ATOM 19 O O . LYS A 0 3 . 31.534 21.402 -25.156 1.00 91.09 3 A 1 ATOM 20 C CG . LYS A 0 3 . 32.430 24.587 -24.058 1.00 91.09 3 A 1 ATOM 21 C CD . LYS A 0 3 . 32.492 26.078 -23.707 1.00 91.09 3 A 1 ATOM 22 C CE . LYS A 0 3 . 31.510 26.356 -22.566 1.00 91.09 3 A 1 ATOM 23 N NZ . LYS A 0 3 . 31.715 27.703 -21.981 1.00 91.09 3 A 1 ATOM 24 N N . ASP A 0 4 . 31.745 22.264 -27.218 1.00 93.22 4 A 1 ATOM 25 C CA . ASP A 0 4 . 30.521 21.678 -27.780 1.00 93.22 4 A 1 ATOM 26 C C . ASP A 0 4 . 30.480 20.147 -27.663 1.00 93.22 4 A 1 ATOM 27 C CB . ASP A 0 4 . 30.399 22.054 -29.265 1.00 93.22 4 A 1 ATOM 28 O O . ASP A 0 4 . 29.436 19.568 -27.372 1.00 93.22 4 A 1 ATOM 29 C CG . ASP A 0 4 . 30.667 23.532 -29.534 1.00 93.22 4 A 1 ATOM 30 O OD1 . ASP A 0 4 . 30.161 24.371 -28.762 1.00 93.22 4 A 1 ATOM 31 O OD2 . ASP A 0 4 . 31.498 23.777 -30.436 1.00 93.22 4 A 1 ATOM 32 N N . LYS A 0 5 . 31.627 19.468 -27.839 1.00 93.51 5 A 1 ATOM 33 C CA . LYS A 0 5 . 31.697 18.004 -27.690 1.00 93.51 5 A 1 ATOM 34 C C . LYS A 0 5 . 31.507 17.584 -26.235 1.00 93.51 5 A 1 ATOM 35 C CB . LYS A 0 5 . 33.009 17.417 -28.239 1.00 93.51 5 A 1 ATOM 36 O O . LYS A 0 5 . 30.886 16.558 -25.980 1.00 93.51 5 A 1 ATOM 37 C CG . LYS A 0 5 . 33.140 17.533 -29.765 1.00 93.51 5 A 1 ATOM 38 C CD . LYS A 0 5 . 34.172 16.528 -30.305 1.00 93.51 5 A 1 ATOM 39 C CE . LYS A 0 5 . 34.295 16.659 -31.829 1.00 93.51 5 A 1 ATOM 40 N NZ . LYS A 0 5 . 35.055 15.532 -32.431 1.00 93.51 5 A 1 ATOM 41 N N . ALA A 0 6 . 32.053 18.348 -25.287 1.00 93.96 6 A 1 ATOM 42 C CA . ALA A 0 6 . 31.871 18.068 -23.864 1.00 93.96 6 A 1 ATOM 43 C C . ALA A 0 6 . 30.400 18.238 -23.448 1.00 93.96 6 A 1 ATOM 44 C CB . ALA A 0 6 . 32.813 18.967 -23.055 1.00 93.96 6 A 1 ATOM 45 O O . ALA A 0 6 . 29.867 17.382 -22.740 1.00 93.96 6 A 1 ATOM 46 N N . ASP A 0 7 . 29.735 19.282 -23.950 1.00 94.67 7 A 1 ATOM 47 C CA . ASP A 0 7 . 28.315 19.537 -23.694 1.00 94.67 7 A 1 ATOM 48 C C . ASP A 0 7 . 27.411 18.442 -24.286 1.00 94.67 7 A 1 ATOM 49 C CB . ASP A 0 7 . 27.927 20.923 -24.243 1.00 94.67 7 A 1 ATOM 50 O O . ASP A 0 7 . 26.450 18.028 -23.637 1.00 94.67 7 A 1 ATOM 51 C CG . ASP A 0 7 . 28.504 22.103 -23.444 1.00 94.67 7 A 1 ATOM 52 O OD1 . ASP A 0 7 . 28.935 21.894 -22.288 1.00 94.67 7 A 1 ATOM 53 O OD2 . ASP A 0 7 . 28.450 23.236 -23.969 1.00 94.67 7 A 1 ATOM 54 N N . ASP A 0 8 . 27.721 17.922 -25.478 1.00 95.33 8 A 1 ATOM 55 C CA . ASP A 0 8 . 26.974 16.815 -26.093 1.00 95.33 8 A 1 ATOM 56 C C . ASP A 0 8 . 27.087 15.512 -25.279 1.00 95.33 8 A 1 ATOM 57 C CB . ASP A 0 8 . 27.457 16.622 -27.539 1.00 95.33 8 A 1 ATOM 58 O O . ASP A 0 8 . 26.083 14.885 -24.925 1.00 95.33 8 A 1 ATOM 59 C CG . ASP A 0 8 . 26.612 15.601 -28.308 1.00 95.33 8 A 1 ATOM 60 O OD1 . ASP A 0 8 . 25.386 15.545 -28.052 1.00 95.33 8 A 1 ATOM 61 O OD2 . ASP A 0 8 . 27.203 14.895 -29.153 1.00 95.33 8 A 1 ATOM 62 N N . VAL A 0 9 . 28.308 15.150 -24.865 1.00 94.91 9 A 1 ATOM 63 C CA . VAL A 0 9 . 28.540 13.988 -23.992 1.00 94.91 9 A 1 ATOM 64 C C . VAL A 0 9 . 27.802 14.143 -22.657 1.00 94.91 9 A 1 ATOM 65 C CB . VAL A 0 9 . 30.053 13.756 -23.794 1.00 94.91 9 A 1 ATOM 66 O O . VAL A 0 9 . 27.134 13.208 -22.204 1.00 94.91 9 A 1 ATOM 67 C CG1 . VAL A 0 9 . 30.332 12.668 -22.756 1.00 94.91 9 A 1 ATOM 68 C CG2 . VAL A 0 9 . 30.725 13.330 -25.112 1.00 94.91 9 A 1 ATOM 69 N N . LEU A 0 10 . 27.858 15.328 -22.043 1.00 95.62 10 A 1 ATOM 70 C CA . LEU A 0 10 . 27.147 15.617 -20.799 1.00 95.62 10 A 1 ATOM 71 C C . LEU A 0 10 . 25.629 15.475 -20.972 1.00 95.62 10 A 1 ATOM 72 C CB . LEU A 0 10 . 27.541 17.024 -20.319 1.00 95.62 10 A 1 ATOM 73 O O . LEU A 0 10 . 24.976 14.817 -20.160 1.00 95.62 10 A 1 ATOM 74 C CG . LEU A 0 10 . 26.842 17.462 -19.021 1.00 95.62 10 A 1 ATOM 75 C CD1 . LEU A 0 10 . 27.187 16.554 -17.837 1.00 95.62 10 A 1 ATOM 76 C CD2 . LEU A 0 10 . 27.236 18.895 -18.672 1.00 95.62 10 A 1 ATOM 77 N N . ARG A 0 11 . 25.060 16.030 -22.048 1.00 96.00 11 A 1 ATOM 78 C CA . ARG A 0 11 . 23.630 15.900 -22.371 1.00 96.00 11 A 1 ATOM 79 C C . ARG A 0 11 . 23.216 14.443 -22.535 1.00 96.00 11 A 1 ATOM 80 C CB . ARG A 0 11 . 23.320 16.679 -23.656 1.00 96.00 11 A 1 ATOM 81 O O . ARG A 0 11 . 22.148 14.062 -22.051 1.00 96.00 11 A 1 ATOM 82 C CG . ARG A 0 11 . 23.265 18.191 -23.413 1.00 96.00 11 A 1 ATOM 83 C CD . ARG A 0 11 . 23.206 18.927 -24.755 1.00 96.00 11 A 1 ATOM 84 N NE . ARG A 0 11 . 23.243 20.388 -24.574 1.00 96.00 11 A 1 ATOM 85 N NH1 . ARG A 0 11 . 21.024 20.750 -24.090 1.00 96.00 11 A 1 ATOM 86 N NH2 . ARG A 0 11 . 22.444 22.472 -24.152 1.00 96.00 11 A 1 ATOM 87 C CZ . ARG A 0 11 . 22.239 21.192 -24.275 1.00 96.00 11 A 1 ATOM 88 N N . HIS A 0 12 . 24.050 13.617 -23.164 1.00 95.33 12 A 1 ATOM 89 C CA . HIS A 0 12 . 23.789 12.188 -23.304 1.00 95.33 12 A 1 ATOM 90 C C . HIS A 0 12 . 23.742 11.478 -21.940 1.00 95.33 12 A 1 ATOM 91 C CB . HIS A 0 12 . 24.831 11.567 -24.240 1.00 95.33 12 A 1 ATOM 92 O O . HIS A 0 12 . 22.794 10.737 -21.663 1.00 95.33 12 A 1 ATOM 93 C CG . HIS A 0 12 . 24.546 10.115 -24.515 1.00 95.33 12 A 1 ATOM 94 C CD2 . HIS A 0 12 . 23.722 9.616 -25.487 1.00 95.33 12 A 1 ATOM 95 N ND1 . HIS A 0 12 . 25.026 9.044 -23.799 1.00 95.33 12 A 1 ATOM 96 C CE1 . HIS A 0 12 . 24.504 7.926 -24.327 1.00 95.33 12 A 1 ATOM 97 N NE2 . HIS A 0 12 . 23.678 8.225 -25.343 1.00 95.33 12 A 1 ATOM 98 N N . PHE A 0 13 . 24.706 11.746 -21.052 1.00 95.39 13 A 1 ATOM 99 C CA . PHE A 0 13 . 24.723 11.173 -19.702 1.00 95.39 13 A 1 ATOM 100 C C . PHE A 0 13 . 23.564 11.661 -18.828 1.00 95.39 13 A 1 ATOM 101 C CB . PHE A 0 13 . 26.062 11.467 -19.018 1.00 95.39 13 A 1 ATOM 102 O O . PHE A 0 13 . 22.951 10.850 -18.127 1.00 95.39 13 A 1 ATOM 103 C CG . PHE A 0 13 . 27.195 10.585 -19.496 1.00 95.39 13 A 1 ATOM 104 C CD1 . PHE A 0 13 . 27.145 9.196 -19.266 1.00 95.39 13 A 1 ATOM 105 C CD2 . PHE A 0 13 . 28.318 11.144 -20.130 1.00 95.39 13 A 1 ATOM 106 C CE1 . PHE A 0 13 . 28.197 8.369 -19.695 1.00 95.39 13 A 1 ATOM 107 C CE2 . PHE A 0 13 . 29.376 10.315 -20.544 1.00 95.39 13 A 1 ATOM 108 C CZ . PHE A 0 13 . 29.311 8.928 -20.340 1.00 95.39 13 A 1 ATOM 109 N N . ILE A 0 14 . 23.215 12.949 -18.898 1.00 95.96 14 A 1 ATOM 110 C CA . ILE A 0 14 . 22.051 13.513 -18.201 1.00 95.96 14 A 1 ATOM 111 C C . ILE A 0 14 . 20.782 12.805 -18.668 1.00 95.96 14 A 1 ATOM 112 C CB . ILE A 0 14 . 21.956 15.042 -18.405 1.00 95.96 14 A 1 ATOM 113 O O . ILE A 0 14 . 20.057 12.258 -17.843 1.00 95.96 14 A 1 ATOM 114 C CG1 . ILE A 0 14 . 23.092 15.747 -17.630 1.00 95.96 14 A 1 ATOM 115 C CG2 . ILE A 0 14 . 20.589 15.584 -17.936 1.00 95.96 14 A 1 ATOM 116 C CD1 . ILE A 0 14 . 23.242 17.233 -17.980 1.00 95.96 14 A 1 ATOM 117 N N . LYS A 0 15 . 20.550 12.726 -19.984 1.00 95.93 15 A 1 ATOM 118 C CA . LYS A 0 15 . 19.365 12.072 -20.556 1.00 95.93 15 A 1 ATOM 119 C C . LYS A 0 15 . 19.288 10.590 -20.183 1.00 95.93 15 A 1 ATOM 120 C CB . LYS A 0 15 . 19.400 12.278 -22.075 1.00 95.93 15 A 1 ATOM 121 O O . LYS A 0 15 . 18.201 10.062 -19.950 1.00 95.93 15 A 1 ATOM 122 C CG . LYS A 0 15 . 18.124 11.794 -22.778 1.00 95.93 15 A 1 ATOM 123 C CD . LYS A 0 15 . 18.195 12.154 -24.268 1.00 95.93 15 A 1 ATOM 124 C CE . LYS A 0 15 . 16.891 11.813 -24.996 1.00 95.93 15 A 1 ATOM 125 N NZ . LYS A 0 15 . 16.942 12.258 -26.414 1.00 95.93 15 A 1 ATOM 126 N N . HIS A 0 16 . 20.428 9.903 -20.123 1.00 94.34 16 A 1 ATOM 127 C CA . HIS A 0 16 . 20.486 8.510 -19.685 1.00 94.34 16 A 1 ATOM 128 C C . HIS A 0 16 . 20.130 8.365 -18.194 1.00 94.34 16 A 1 ATOM 129 C CB . HIS A 0 16 . 21.877 7.948 -20.004 1.00 94.34 16 A 1 ATOM 130 O O . HIS A 0 16 . 19.336 7.499 -17.816 1.00 94.34 16 A 1 ATOM 131 C CG . HIS A 0 16 . 21.922 6.451 -19.872 1.00 94.34 16 A 1 ATOM 132 C CD2 . HIS A 0 16 . 22.249 5.734 -18.754 1.00 94.34 16 A 1 ATOM 133 N ND1 . HIS A 0 16 . 21.595 5.547 -20.856 1.00 94.34 16 A 1 ATOM 134 C CE1 . HIS A 0 16 . 21.720 4.312 -20.343 1.00 94.34 16 A 1 ATOM 135 N NE2 . HIS A 0 16 . 22.104 4.377 -19.060 1.00 94.34 16 A 1 ATOM 136 N N . THR A 0 17 . 20.660 9.254 -17.352 1.00 95.24 17 A 1 ATOM 137 C CA . THR A 0 17 . 20.436 9.258 -15.899 1.00 95.24 17 A 1 ATOM 138 C C . THR A 0 17 . 19.006 9.659 -15.547 1.00 95.24 17 A 1 ATOM 139 C CB . THR A 0 17 . 21.437 10.194 -15.206 1.00 95.24 17 A 1 ATOM 140 O O . THR A 0 17 . 18.384 9.030 -14.692 1.00 95.24 17 A 1 ATOM 141 C CG2 . THR A 0 17 . 21.335 10.136 -13.681 1.00 95.24 17 A 1 ATOM 142 O OG1 . THR A 0 17 . 22.746 9.802 -15.543 1.00 95.24 17 A 1 ATOM 143 N N . GLU A 0 18 . 18.445 10.646 -16.243 1.00 95.98 18 A 1 ATOM 144 C CA . GLU A 0 18 . 17.068 11.110 -16.083 1.00 95.98 18 A 1 ATOM 145 C C . GLU A 0 18 . 16.073 9.979 -16.352 1.00 95.98 18 A 1 ATOM 146 C CB . GLU A 0 18 . 16.833 12.292 -17.030 1.00 95.98 18 A 1 ATOM 147 O O . GLU A 0 18 . 15.230 9.692 -15.504 1.00 95.98 18 A 1 ATOM 148 C CG . GLU A 0 18 . 15.437 12.903 -16.854 1.00 95.98 18 A 1 ATOM 149 C CD . GLU A 0 18 . 15.165 14.052 -17.835 1.00 95.98 18 A 1 ATOM 150 O OE1 . GLU A 0 18 . 14.139 14.731 -17.626 1.00 95.98 18 A 1 ATOM 151 O OE2 . GLU A 0 18 . 15.941 14.196 -18.810 1.00 95.98 18 A 1 ATOM 152 N N . LYS A 0 19 . 16.220 9.252 -17.469 1.00 94.57 19 A 1 ATOM 153 C CA . LYS A 0 19 . 15.361 8.096 -17.783 1.00 94.57 19 A 1 ATOM 154 C C . LYS A 0 19 . 15.388 7.031 -16.681 1.00 94.57 19 A 1 ATOM 155 C CB . LYS A 0 19 . 15.791 7.474 -19.117 1.00 94.57 19 A 1 ATOM 156 O O . LYS A 0 19 . 14.346 6.479 -16.325 1.00 94.57 19 A 1 ATOM 157 C CG . LYS A 0 19 . 15.373 8.316 -20.330 1.00 94.57 19 A 1 ATOM 158 C CD . LYS A 0 19 . 15.845 7.617 -21.609 1.00 94.57 19 A 1 ATOM 159 C CE . LYS A 0 19 . 15.442 8.414 -22.851 1.00 94.57 19 A 1 ATOM 160 N NZ . LYS A 0 19 . 15.725 7.639 -24.087 1.00 94.57 19 A 1 ATOM 161 N N . SER A 0 20 . 16.570 6.747 -16.129 1.00 93.91 20 A 1 ATOM 162 C CA . SER A 0 20 . 16.730 5.802 -15.016 1.00 93.91 20 A 1 ATOM 163 C C . SER A 0 20 . 16.072 6.319 -13.730 1.00 93.91 20 A 1 ATOM 164 C CB . SER A 0 20 . 18.221 5.528 -14.801 1.00 93.91 20 A 1 ATOM 165 O O . SER A 0 20 . 15.357 5.578 -13.051 1.00 93.91 20 A 1 ATOM 166 O OG . SER A 0 20 . 18.419 4.510 -13.837 1.00 93.91 20 A 1 ATOM 167 N N . ASN A 0 21 . 16.243 7.607 -13.422 1.00 95.49 21 A 1 ATOM 168 C CA . ASN A 0 21 . 15.667 8.243 -12.240 1.00 95.49 21 A 1 ATOM 169 C C . ASN A 0 21 . 14.132 8.309 -12.310 1.00 95.49 21 A 1 ATOM 170 C CB . ASN A 0 21 . 16.315 9.626 -12.059 1.00 95.49 21 A 1 ATOM 171 O O . ASN A 0 21 . 13.462 7.929 -11.354 1.00 95.49 21 A 1 ATOM 172 C CG . ASN A 0 21 . 16.031 10.237 -10.696 1.00 95.49 21 A 1 ATOM 173 N ND2 . ASN A 0 21 . 16.610 11.376 -10.405 1.00 95.49 21 A 1 ATOM 174 O OD1 . ASN A 0 21 . 15.322 9.696 -9.866 1.00 95.49 21 A 1 ATOM 175 N N . VAL A 0 22 . 13.558 8.672 -13.461 1.00 95.96 22 A 1 ATOM 176 C CA . VAL A 0 22 . 12.100 8.687 -13.669 1.00 95.96 22 A 1 ATOM 177 C C . VAL A 0 22 . 11.496 7.303 -13.423 1.00 95.96 22 A 1 ATOM 178 C CB . VAL A 0 22 . 11.747 9.199 -15.081 1.00 95.96 22 A 1 ATOM 179 O O . VAL A 0 22 . 10.488 7.173 -12.732 1.00 95.96 22 A 1 ATOM 180 C CG1 . VAL A 0 22 . 10.252 9.041 -15.392 1.00 95.96 22 A 1 ATOM 181 C CG2 . VAL A 0 22 . 12.085 10.687 -15.226 1.00 95.96 22 A 1 ATOM 182 N N . ARG A 0 23 . 12.131 6.232 -13.916 1.00 94.77 23 A 1 ATOM 183 C CA . ARG A 0 23 . 11.641 4.870 -13.659 1.00 94.77 23 A 1 ATOM 184 C C . ARG A 0 23 . 11.675 4.523 -12.168 1.00 94.77 23 A 1 ATOM 185 C CB . ARG A 0 23 . 12.437 3.874 -14.507 1.00 94.77 23 A 1 ATOM 186 O O . ARG A 0 23 . 10.721 3.936 -11.657 1.00 94.77 23 A 1 ATOM 187 C CG . ARG A 0 23 . 11.826 2.468 -14.424 1.00 94.77 23 A 1 ATOM 188 C CD . ARG A 0 23 . 12.563 1.514 -15.366 1.00 94.77 23 A 1 ATOM 189 N NE . ARG A 0 23 . 11.956 0.170 -15.353 1.00 94.77 23 A 1 ATOM 190 N NH1 . ARG A 0 23 . 13.371 -0.806 -16.877 1.00 94.77 23 A 1 ATOM 191 N NH2 . ARG A 0 23 . 11.719 -2.007 -15.986 1.00 94.77 23 A 1 ATOM 192 C CZ . ARG A 0 23 . 12.349 -0.870 -16.068 1.00 94.77 23 A 1 ATOM 193 N N . ARG A 0 24 . 12.751 4.894 -11.466 1.00 95.60 24 A 1 ATOM 194 C CA . ARG A 0 24 . 12.879 4.685 -10.014 1.00 95.60 24 A 1 ATOM 195 C C . ARG A 0 24 . 11.821 5.475 -9.244 1.00 95.60 24 A 1 ATOM 196 C CB . ARG A 0 24 . 14.292 5.059 -9.540 1.00 95.60 24 A 1 ATOM 197 O O . ARG A 0 24 . 11.172 4.906 -8.370 1.00 95.60 24 A 1 ATOM 198 C CG . ARG A 0 24 . 15.358 4.062 -10.018 1.00 95.60 24 A 1 ATOM 199 C CD . ARG A 0 24 . 16.753 4.550 -9.612 1.00 95.60 24 A 1 ATOM 200 N NE . ARG A 0 24 . 17.809 3.629 -10.073 1.00 95.60 24 A 1 ATOM 201 N NH1 . ARG A 0 24 . 19.582 4.703 -9.082 1.00 95.60 24 A 1 ATOM 202 N NH2 . ARG A 0 24 . 19.945 2.862 -10.287 1.00 95.60 24 A 1 ATOM 203 C CZ . ARG A 0 24 . 19.102 3.736 -9.813 1.00 95.60 24 A 1 ATOM 204 N N . SER A 0 25 . 11.595 6.739 -9.597 1.00 95.44 25 A 1 ATOM 205 C CA . SER A 0 25 . 10.626 7.598 -8.913 1.00 95.44 25 A 1 ATOM 206 C C . SER A 0 25 . 9.191 7.089 -9.074 1.00 95.44 25 A 1 ATOM 207 C CB . SER A 0 25 . 10.774 9.053 -9.372 1.00 95.44 25 A 1 ATOM 208 O O . SER A 0 25 . 8.450 7.061 -8.094 1.00 95.44 25 A 1 ATOM 209 O OG . SER A 0 25 . 10.223 9.256 -10.655 1.00 95.44 25 A 1 ATOM 210 N N . VAL A 0 26 . 8.811 6.595 -10.258 1.00 96.60 26 A 1 ATOM 211 C CA . VAL A 0 26 . 7.485 6.002 -10.501 1.00 96.60 26 A 1 ATOM 212 C C . VAL A 0 26 . 7.270 4.743 -9.659 1.00 96.60 26 A 1 ATOM 213 C CB . VAL A 0 26 . 7.286 5.706 -12.001 1.00 96.60 26 A 1 ATOM 214 O O . VAL A 0 26 . 6.217 4.594 -9.039 1.00 96.60 26 A 1 ATOM 215 C CG1 . VAL A 0 26 . 6.012 4.897 -12.282 1.00 96.60 26 A 1 ATOM 216 C CG2 . VAL A 0 26 . 7.172 7.014 -12.794 1.00 96.60 26 A 1 ATOM 217 N N . ILE A 0 27 . 8.265 3.851 -9.588 1.00 96.09 27 A 1 ATOM 218 C CA . ILE A 0 27 . 8.174 2.626 -8.778 1.00 96.09 27 A 1 ATOM 219 C C . ILE A 0 27 . 8.043 2.973 -7.292 1.00 96.09 27 A 1 ATOM 220 C CB . ILE A 0 27 . 9.379 1.697 -9.051 1.00 96.09 27 A 1 ATOM 221 O O . ILE A 0 27 . 7.166 2.436 -6.618 1.00 96.09 27 A 1 ATOM 222 C CG1 . ILE A 0 27 . 9.304 1.148 -10.495 1.00 96.09 27 A 1 ATOM 223 C CG2 . ILE A 0 27 . 9.422 0.527 -8.046 1.00 96.09 27 A 1 ATOM 224 C CD1 . ILE A 0 27 . 10.601 0.481 -10.969 1.00 96.09 27 A 1 ATOM 225 N N . VAL A 0 28 . 8.864 3.898 -6.787 1.00 97.05 28 A 1 ATOM 226 C CA . VAL A 0 28 . 8.801 4.345 -5.387 1.00 97.05 28 A 1 ATOM 227 C C . VAL A 0 28 . 7.439 4.963 -5.074 1.00 97.05 28 A 1 ATOM 228 C CB . VAL A 0 28 . 9.949 5.324 -5.076 1.00 97.05 28 A 1 ATOM 229 O O . VAL A 0 28 . 6.811 4.591 -4.086 1.00 97.05 28 A 1 ATOM 230 C CG1 . VAL A 0 28 . 9.796 5.993 -3.704 1.00 97.05 28 A 1 ATOM 231 C CG2 . VAL A 0 28 . 11.294 4.586 -5.078 1.00 97.05 28 A 1 ATOM 232 N N . GLN A 0 29 . 6.926 5.843 -5.937 1.00 97.18 29 A 1 ATOM 233 C CA . GLN A 0 29 . 5.601 6.440 -5.754 1.00 97.18 29 A 1 ATOM 234 C C . GLN A 0 29 . 4.485 5.389 -5.756 1.00 97.18 29 A 1 ATOM 235 C CB . GLN A 0 29 . 5.334 7.471 -6.854 1.00 97.18 29 A 1 ATOM 236 O O . GLN A 0 29 . 3.591 5.436 -4.909 1.00 97.18 29 A 1 ATOM 237 C CG . GLN A 0 29 . 6.096 8.784 -6.636 1.00 97.18 29 A 1 ATOM 238 C CD . GLN A 0 29 . 5.732 9.790 -7.719 1.00 97.18 29 A 1 ATOM 239 N NE2 . GLN A 0 29 . 6.687 10.319 -8.451 1.00 97.18 29 A 1 ATOM 240 O OE1 . GLN A 0 29 . 4.568 10.095 -7.927 1.00 97.18 29 A 1 ATOM 241 N N . ALA A 0 30 . 4.527 4.425 -6.679 1.00 96.61 30 A 1 ATOM 242 C CA . ALA A 0 30 . 3.544 3.349 -6.740 1.00 96.61 30 A 1 ATOM 243 C C . ALA A 0 30 . 3.582 2.474 -5.477 1.00 96.61 30 A 1 ATOM 244 C CB . ALA A 0 30 . 3.794 2.528 -8.010 1.00 96.61 30 A 1 ATOM 245 O O . ALA A 0 30 . 2.530 2.141 -4.927 1.00 96.61 30 A 1 ATOM 246 N N . THR A 0 31 . 4.776 2.142 -4.985 1.00 96.64 31 A 1 ATOM 247 C CA . THR A 0 31 . 4.963 1.366 -3.753 1.00 96.64 31 A 1 ATOM 248 C C . THR A 0 31 . 4.483 2.137 -2.528 1.00 96.64 31 A 1 ATOM 249 C CB . THR A 0 31 . 6.427 0.937 -3.609 1.00 96.64 31 A 1 ATOM 250 O O . THR A 0 31 . 3.695 1.597 -1.756 1.00 96.64 31 A 1 ATOM 251 C CG2 . THR A 0 31 . 6.687 0.114 -2.349 1.00 96.64 31 A 1 ATOM 252 O OG1 . THR A 0 31 . 6.741 0.110 -4.705 1.00 96.64 31 A 1 ATOM 253 N N . ASN A 0 32 . 4.833 3.418 -2.389 1.00 97.32 32 A 1 ATOM 254 C CA . ASN A 0 32 . 4.382 4.253 -1.271 1.00 97.32 32 A 1 ATOM 255 C C . ASN A 0 32 . 2.852 4.363 -1.219 1.00 97.32 32 A 1 ATOM 256 C CB . ASN A 0 32 . 5.029 5.644 -1.379 1.00 97.32 32 A 1 ATOM 257 O O . ASN A 0 32 . 2.256 4.265 -0.148 1.00 97.32 32 A 1 ATOM 258 C CG . ASN A 0 32 . 6.514 5.638 -1.060 1.00 97.32 32 A 1 ATOM 259 N ND2 . ASN A 0 32 . 7.175 6.763 -1.195 1.00 97.32 32 A 1 ATOM 260 O OD1 . ASN A 0 32 . 7.096 4.642 -0.673 1.00 97.32 32 A 1 ATOM 261 N N . ARG A 0 33 . 2.191 4.489 -2.379 1.00 97.61 33 A 1 ATOM 262 C CA . ARG A 0 33 . 0.721 4.477 -2.459 1.00 97.61 33 A 1 ATOM 263 C C . ARG A 0 33 . 0.131 3.146 -1.994 1.00 97.61 33 A 1 ATOM 264 C CB . ARG A 0 33 . 0.267 4.798 -3.889 1.00 97.61 33 A 1 ATOM 265 O O . ARG A 0 33 . -0.889 3.150 -1.311 1.00 97.61 33 A 1 ATOM 266 C CG . ARG A 0 33 . 0.474 6.275 -4.246 1.00 97.61 33 A 1 ATOM 267 C CD . ARG A 0 33 . 0.104 6.519 -5.715 1.00 97.61 33 A 1 ATOM 268 N NE . ARG A 0 33 . 0.396 7.901 -6.138 1.00 97.61 33 A 1 ATOM 269 N NH1 . ARG A 0 33 . -1.474 8.954 -5.295 1.00 97.61 33 A 1 ATOM 270 N NH2 . ARG A 0 33 . 0.052 10.130 -6.417 1.00 97.61 33 A 1 ATOM 271 C CZ . ARG A 0 33 . -0.344 8.981 -5.948 1.00 97.61 33 A 1 ATOM 272 N N . LYS A 0 34 . 0.745 2.012 -2.346 1.00 97.10 34 A 1 ATOM 273 C CA . LYS A 0 34 . 0.301 0.684 -1.886 1.00 97.10 34 A 1 ATOM 274 C C . LYS A 0 34 . 0.488 0.522 -0.377 1.00 97.10 34 A 1 ATOM 275 C CB . LYS A 0 34 . 1.042 -0.427 -2.644 1.00 97.10 34 A 1 ATOM 276 O O . LYS A 0 34 . -0.451 0.116 0.298 1.00 97.10 34 A 1 ATOM 277 C CG . LYS A 0 34 . 0.627 -0.528 -4.120 1.00 97.10 34 A 1 ATOM 278 C CD . LYS A 0 34 . 1.500 -1.567 -4.835 1.00 97.10 34 A 1 ATOM 279 C CE . LYS A 0 34 . 1.172 -1.632 -6.330 1.00 97.10 34 A 1 ATOM 280 N NZ . LYS A 0 34 . 1.939 -2.712 -7.003 1.00 97.10 34 A 1 ATOM 281 N N . VAL A 0 35 . 1.652 0.902 0.149 1.00 97.81 35 A 1 ATOM 282 C CA . VAL A 0 35 . 1.958 0.848 1.588 1.00 97.81 35 A 1 ATOM 283 C C . VAL A 0 35 . 0.986 1.718 2.386 1.00 97.81 35 A 1 ATOM 284 C CB . VAL A 0 35 . 3.421 1.262 1.845 1.00 97.81 35 A 1 ATOM 285 O O . VAL A 0 35 . 0.422 1.254 3.370 1.00 97.81 35 A 1 ATOM 286 C CG1 . VAL A 0 35 . 3.739 1.395 3.339 1.00 97.81 35 A 1 ATOM 287 C CG2 . VAL A 0 35 . 4.385 0.219 1.262 1.00 97.81 35 A 1 ATOM 288 N N . SER A 0 36 . 0.710 2.941 1.923 1.00 98.01 36 A 1 ATOM 289 C CA . SER A 0 36 . -0.255 3.837 2.571 1.00 98.01 36 A 1 ATOM 290 C C . SER A 0 36 . -1.667 3.240 2.618 1.00 98.01 36 A 1 ATOM 291 C CB . SER A 0 36 . -0.247 5.187 1.851 1.00 98.01 36 A 1 ATOM 292 O O . SER A 0 36 . -2.315 3.301 3.661 1.00 98.01 36 A 1 ATOM 293 O OG . SER A 0 36 . -1.206 6.068 2.393 1.00 98.01 36 A 1 ATOM 294 N N . LYS A 0 37 . -2.132 2.586 1.543 1.00 98.32 37 A 1 ATOM 295 C CA . LYS A 0 37 . -3.431 1.888 1.546 1.00 98.32 37 A 1 ATOM 296 C C . LYS A 0 37 . -3.476 0.751 2.565 1.00 98.32 37 A 1 ATOM 297 C CB . LYS A 0 37 . -3.765 1.339 0.155 1.00 98.32 37 A 1 ATOM 298 O O . LYS A 0 37 . -4.452 0.646 3.298 1.00 98.32 37 A 1 ATOM 299 C CG . LYS A 0 37 . -4.141 2.437 -0.845 1.00 98.32 37 A 1 ATOM 300 C CD . LYS A 0 37 . -4.454 1.802 -2.204 1.00 98.32 37 A 1 ATOM 301 C CE . LYS A 0 37 . -4.588 2.877 -3.283 1.00 98.32 37 A 1 ATOM 302 N NZ . LYS A 0 37 . -5.138 2.309 -4.540 1.00 98.32 37 A 1 ATOM 303 N N . ILE A 0 38 . -2.433 -0.079 2.625 1.00 98.42 38 A 1 ATOM 304 C CA . ILE A 0 38 . -2.353 -1.187 3.590 1.00 98.42 38 A 1 ATOM 305 C C . ILE A 0 38 . -2.371 -0.643 5.022 1.00 98.42 38 A 1 ATOM 306 C CB . ILE A 0 38 . -1.103 -2.055 3.320 1.00 98.42 38 A 1 ATOM 307 O O . ILE A 0 38 . -3.116 -1.153 5.856 1.00 98.42 38 A 1 ATOM 308 C CG1 . ILE A 0 38 . -1.231 -2.766 1.952 1.00 98.42 38 A 1 ATOM 309 C CG2 . ILE A 0 38 . -0.904 -3.101 4.434 1.00 98.42 38 A 1 ATOM 310 C CD1 . ILE A 0 38 . 0.088 -3.362 1.445 1.00 98.42 38 A 1 ATOM 311 N N . ALA A 0 39 . -1.618 0.427 5.290 1.00 98.41 39 A 1 ATOM 312 C CA . ALA A 0 39 . -1.617 1.084 6.591 1.00 98.41 39 A 1 ATOM 313 C C . ALA A 0 39 . -3.018 1.594 6.963 1.00 98.41 39 A 1 ATOM 314 C CB . ALA A 0 39 . -0.572 2.206 6.582 1.00 98.41 39 A 1 ATOM 315 O O . ALA A 0 39 . -3.495 1.298 8.053 1.00 98.41 39 A 1 ATOM 316 N N . LEU A 0 40 . -3.716 2.286 6.054 1.00 98.58 40 A 1 ATOM 317 C CA . LEU A 0 40 . -5.080 2.769 6.300 1.00 98.58 40 A 1 ATOM 318 C C . LEU A 0 40 . -6.065 1.634 6.602 1.00 98.58 40 A 1 ATOM 319 C CB . LEU A 0 40 . -5.581 3.576 5.090 1.00 98.58 40 A 1 ATOM 320 O O . LEU A 0 40 . -6.889 1.777 7.499 1.00 98.58 40 A 1 ATOM 321 C CG . LEU A 0 40 . -4.957 4.974 4.944 1.00 98.58 40 A 1 ATOM 322 C CD1 . LEU A 0 40 . -5.448 5.599 3.637 1.00 98.58 40 A 1 ATOM 323 C CD2 . LEU A 0 40 . -5.338 5.902 6.099 1.00 98.58 40 A 1 ATOM 324 N N . VAL A 0 41 . -5.968 0.506 5.894 1.00 98.63 41 A 1 ATOM 325 C CA . VAL A 0 41 . -6.811 -0.670 6.160 1.00 98.63 41 A 1 ATOM 326 C C . VAL A 0 41 . -6.504 -1.259 7.538 1.00 98.63 41 A 1 ATOM 327 C CB . VAL A 0 41 . -6.653 -1.724 5.048 1.00 98.63 41 A 1 ATOM 328 O O . VAL A 0 41 . -7.431 -1.543 8.292 1.00 98.63 41 A 1 ATOM 329 C CG1 . VAL A 0 41 . -7.365 -3.043 5.377 1.00 98.63 41 A 1 ATOM 330 C CG2 . VAL A 0 41 . -7.249 -1.207 3.731 1.00 98.63 41 A 1 ATOM 331 N N . ALA A 0 42 . -5.225 -1.397 7.897 1.00 98.45 42 A 1 ATOM 332 C CA . ALA A 0 42 . -4.818 -1.913 9.202 1.00 98.45 42 A 1 ATOM 333 C C . ALA A 0 42 . -5.275 -1.001 10.353 1.00 98.45 42 A 1 ATOM 334 C CB . ALA A 0 42 . -3.297 -2.107 9.196 1.00 98.45 42 A 1 ATOM 335 O O . ALA A 0 42 . -5.865 -1.480 11.321 1.00 98.45 42 A 1 ATOM 336 N N . PHE A 0 43 . -5.074 0.316 10.226 1.00 98.45 43 A 1 ATOM 337 C CA . PHE A 0 43 . -5.576 1.296 11.192 1.00 98.45 43 A 1 ATOM 338 C C . PHE A 0 43 . -7.102 1.264 11.274 1.00 98.45 43 A 1 ATOM 339 C CB . PHE A 0 43 . -5.083 2.708 10.835 1.00 98.45 43 A 1 ATOM 340 O O . PHE A 0 43 . -7.650 1.212 12.372 1.00 98.45 43 A 1 ATOM 341 C CG . PHE A 0 43 . -3.661 2.996 11.277 1.00 98.45 43 A 1 ATOM 342 C CD1 . PHE A 0 43 . -3.363 3.061 12.651 1.00 98.45 43 A 1 ATOM 343 C CD2 . PHE A 0 43 . -2.639 3.224 10.337 1.00 98.45 43 A 1 ATOM 344 C CE1 . PHE A 0 43 . -2.048 3.317 13.078 1.00 98.45 43 A 1 ATOM 345 C CE2 . PHE A 0 43 . -1.320 3.458 10.761 1.00 98.45 43 A 1 ATOM 346 C CZ . PHE A 0 43 . -1.025 3.503 12.134 1.00 98.45 43 A 1 ATOM 347 N N . GLY A 0 44 . -7.794 1.238 10.133 1.00 98.53 44 A 1 ATOM 348 C CA . GLY A 0 44 . -9.251 1.146 10.077 1.00 98.53 44 A 1 ATOM 349 C C . GLY A 0 44 . -9.784 -0.098 10.787 1.00 98.53 44 A 1 ATOM 350 O O . GLY A 0 44 . -10.719 0.010 11.574 1.00 98.53 44 A 1 ATOM 351 N N . PHE A 0 45 . -9.155 -1.257 10.583 1.00 98.29 45 A 1 ATOM 352 C CA . PHE A 0 45 . -9.514 -2.499 11.269 1.00 98.29 45 A 1 ATOM 353 C C . PHE A 0 45 . -9.275 -2.421 12.783 1.00 98.29 45 A 1 ATOM 354 C CB . PHE A 0 45 . -8.728 -3.660 10.647 1.00 98.29 45 A 1 ATOM 355 O O . PHE A 0 45 . -10.144 -2.810 13.565 1.00 98.29 45 A 1 ATOM 356 C CG . PHE A 0 45 . -9.081 -5.005 11.248 1.00 98.29 45 A 1 ATOM 357 C CD1 . PHE A 0 45 . -8.244 -5.596 12.215 1.00 98.29 45 A 1 ATOM 358 C CD2 . PHE A 0 45 . -10.270 -5.652 10.863 1.00 98.29 45 A 1 ATOM 359 C CE1 . PHE A 0 45 . -8.594 -6.832 12.787 1.00 98.29 45 A 1 ATOM 360 C CE2 . PHE A 0 45 . -10.619 -6.887 11.436 1.00 98.29 45 A 1 ATOM 361 C CZ . PHE A 0 45 . -9.780 -7.477 12.397 1.00 98.29 45 A 1 ATOM 362 N N . ALA A 0 46 . -8.134 -1.871 13.209 1.00 98.14 46 A 1 ATOM 363 C CA . ALA A 0 46 . -7.822 -1.687 14.624 1.00 98.14 46 A 1 ATOM 364 C C . ALA A 0 46 . -8.839 -0.763 15.318 1.00 98.14 46 A 1 ATOM 365 C CB . ALA A 0 46 . -6.389 -1.154 14.743 1.00 98.14 46 A 1 ATOM 366 O O . ALA A 0 46 . -9.398 -1.124 16.355 1.00 98.14 46 A 1 ATOM 367 N N . PHE A 0 47 . -9.140 0.394 14.717 1.00 98.08 47 A 1 ATOM 368 C CA . PHE A 0 47 . -10.152 1.314 15.234 1.00 98.08 47 A 1 ATOM 369 C C . PHE A 0 47 . -11.545 0.686 15.229 1.00 98.08 47 A 1 ATOM 370 C CB . PHE A 0 47 . -10.151 2.622 14.431 1.00 98.08 47 A 1 ATOM 371 O O . PHE A 0 47 . -12.251 0.787 16.228 1.00 98.08 47 A 1 ATOM 372 C CG . PHE A 0 47 . -9.000 3.552 14.761 1.00 98.08 47 A 1 ATOM 373 C CD1 . PHE A 0 47 . -8.862 4.060 16.067 1.00 98.08 47 A 1 ATOM 374 C CD2 . PHE A 0 47 . -8.080 3.932 13.767 1.00 98.08 47 A 1 ATOM 375 C CE1 . PHE A 0 47 . -7.792 4.915 16.382 1.00 98.08 47 A 1 ATOM 376 C CE2 . PHE A 0 47 . -7.003 4.779 14.084 1.00 98.08 47 A 1 ATOM 377 C CZ . PHE A 0 47 . -6.858 5.268 15.393 1.00 98.08 47 A 1 ATOM 378 N N . ALA A 0 48 . -11.937 0.005 14.149 1.00 97.77 48 A 1 ATOM 379 C CA . ALA A 0 48 . -13.228 -0.669 14.068 1.00 97.77 48 A 1 ATOM 380 C C . ALA A 0 48 . -13.392 -1.702 15.189 1.00 97.77 48 A 1 ATOM 381 C CB . ALA A 0 48 . -13.379 -1.315 12.688 1.00 97.77 48 A 1 ATOM 382 O O . ALA A 0 48 . -14.416 -1.694 15.863 1.00 97.77 48 A 1 ATOM 383 N N . SER A 0 49 . -12.374 -2.530 15.443 1.00 96.56 49 A 1 ATOM 384 C CA . SER A 0 49 . -12.383 -3.503 16.543 1.00 96.56 49 A 1 ATOM 385 C C . SER A 0 49 . -12.519 -2.827 17.915 1.00 96.56 49 A 1 ATOM 386 C CB . SER A 0 49 . -11.102 -4.337 16.487 1.00 96.56 49 A 1 ATOM 387 O O . SER A 0 49 . -13.353 -3.224 18.735 1.00 96.56 49 A 1 ATOM 388 O OG . SER A 0 49 . -11.137 -5.319 17.499 1.00 96.56 49 A 1 ATOM 389 N N . TYR A 0 50 . -11.757 -1.755 18.151 1.00 95.20 50 A 1 ATOM 390 C CA . TYR A 0 50 . -11.811 -0.990 19.398 1.00 95.20 50 A 1 ATOM 391 C C . TYR A 0 50 . -13.189 -0.352 19.633 1.00 95.20 50 A 1 ATOM 392 C CB . TYR A 0 50 . -10.705 0.071 19.373 1.00 95.20 50 A 1 ATOM 393 O O . TYR A 0 50 . -13.811 -0.561 20.678 1.00 95.20 50 A 1 ATOM 394 C CG . TYR A 0 50 . -10.685 0.936 20.615 1.00 95.20 50 A 1 ATOM 395 C CD1 . TYR A 0 50 . -11.250 2.228 20.592 1.00 95.20 50 A 1 ATOM 396 C CD2 . TYR A 0 50 . -10.131 0.427 21.804 1.00 95.20 50 A 1 ATOM 397 C CE1 . TYR A 0 50 . -11.250 3.015 21.760 1.00 95.20 50 A 1 ATOM 398 C CE2 . TYR A 0 50 . -10.133 1.210 22.972 1.00 95.20 50 A 1 ATOM 399 O OH . TYR A 0 50 . -10.681 3.257 24.082 1.00 95.20 50 A 1 ATOM 400 C CZ . TYR A 0 50 . -10.689 2.505 22.952 1.00 95.20 50 A 1 ATOM 401 N N . PHE A 0 51 . -13.707 0.381 18.645 1.00 95.96 51 A 1 ATOM 402 C CA . PHE A 0 51 . -15.015 1.028 18.741 1.00 95.96 51 A 1 ATOM 403 C C . PHE A 0 51 . -16.159 0.017 18.808 1.00 95.96 51 A 1 ATOM 404 C CB . PHE A 0 51 . -15.215 1.995 17.565 1.00 95.96 51 A 1 ATOM 405 O O . PHE A 0 51 . -17.108 0.232 19.560 1.00 95.96 51 A 1 ATOM 406 C CG . PHE A 0 51 . -14.389 3.263 17.656 1.00 95.96 51 A 1 ATOM 407 C CD1 . PHE A 0 51 . -14.584 4.150 18.732 1.00 95.96 51 A 1 ATOM 408 C CD2 . PHE A 0 51 . -13.451 3.583 16.657 1.00 95.96 51 A 1 ATOM 409 C CE1 . PHE A 0 51 . -13.827 5.331 18.821 1.00 95.96 51 A 1 ATOM 410 C CE2 . PHE A 0 51 . -12.682 4.755 16.753 1.00 95.96 51 A 1 ATOM 411 C CZ . PHE A 0 51 . -12.869 5.629 17.837 1.00 95.96 51 A 1 ATOM 412 N N . TYR A 0 52 . -16.064 -1.100 18.082 1.00 94.06 52 A 1 ATOM 413 C CA . TYR A 0 52 . -17.033 -2.191 18.162 1.00 94.06 52 A 1 ATOM 414 C C . TYR A 0 52 . -17.096 -2.778 19.573 1.00 94.06 52 A 1 ATOM 415 C CB . TYR A 0 52 . -16.672 -3.281 17.147 1.00 94.06 52 A 1 ATOM 416 O O . TYR A 0 52 . -18.186 -2.959 20.116 1.00 94.06 52 A 1 ATOM 417 C CG . TYR A 0 52 . -17.605 -4.469 17.199 1.00 94.06 52 A 1 ATOM 418 C CD1 . TYR A 0 52 . -17.221 -5.648 17.868 1.00 94.06 52 A 1 ATOM 419 C CD2 . TYR A 0 52 . -18.878 -4.372 16.609 1.00 94.06 52 A 1 ATOM 420 C CE1 . TYR A 0 52 . -18.113 -6.734 17.946 1.00 94.06 52 A 1 ATOM 421 C CE2 . TYR A 0 52 . -19.774 -5.453 16.688 1.00 94.06 52 A 1 ATOM 422 O OH . TYR A 0 52 . -20.268 -7.671 17.438 1.00 94.06 52 A 1 ATOM 423 C CZ . TYR A 0 52 . -19.392 -6.635 17.356 1.00 94.06 52 A 1 ATOM 424 N N . SER A 0 53 . -15.938 -3.008 20.195 1.00 93.41 53 A 1 ATOM 425 C CA . SER A 0 53 . -15.856 -3.534 21.561 1.00 93.41 53 A 1 ATOM 426 C C . SER A 0 53 . -16.493 -2.572 22.567 1.00 93.41 53 A 1 ATOM 427 C CB . SER A 0 53 . -14.398 -3.810 21.941 1.00 93.41 53 A 1 ATOM 428 O O . SER A 0 53 . -17.320 -2.979 23.381 1.00 93.41 53 A 1 ATOM 429 O OG . SER A 0 53 . -13.817 -4.720 21.028 1.00 93.41 53 A 1 ATOM 430 N N . LEU A 0 54 . -16.189 -1.275 22.462 1.00 90.16 54 A 1 ATOM 431 C CA . LEU A 0 54 . -16.786 -0.248 23.318 1.00 90.16 54 A 1 ATOM 432 C C . LEU A 0 54 . -18.307 -0.135 23.118 1.00 90.16 54 A 1 ATOM 433 C CB . LEU A 0 54 . -16.073 1.084 23.030 1.00 90.16 54 A 1 ATOM 434 O O . LEU A 0 54 . -19.062 -0.036 24.088 1.00 90.16 54 A 1 ATOM 435 C CG . LEU A 0 54 . -16.507 2.239 23.950 1.00 90.16 54 A 1 ATOM 436 C CD1 . LEU A 0 54 . -16.156 1.972 25.415 1.00 90.16 54 A 1 ATOM 437 C CD2 . LEU A 0 54 . -15.808 3.525 23.508 1.00 90.16 54 A 1 ATOM 438 N N . TYR A 0 55 . -18.771 -0.185 21.867 1.00 88.73 55 A 1 ATOM 439 C CA . TYR A 0 55 . -20.196 -0.171 21.540 1.00 88.73 55 A 1 ATOM 440 C C . TYR A 0 55 . -20.923 -1.406 22.094 1.00 88.73 55 A 1 ATOM 441 C CB . TYR A 0 55 . -20.364 -0.064 20.019 1.00 88.73 55 A 1 ATOM 442 O O . TYR A 0 55 . -22.018 -1.284 22.644 1.00 88.73 55 A 1 ATOM 443 C CG . TYR A 0 55 . -21.815 -0.018 19.587 1.00 88.73 55 A 1 ATOM 444 C CD1 . TYR A 0 55 . -22.466 -1.198 19.179 1.00 88.73 55 A 1 ATOM 445 C CD2 . TYR A 0 55 . -22.522 1.200 19.628 1.00 88.73 55 A 1 ATOM 446 C CE1 . TYR A 0 55 . -23.826 -1.162 18.820 1.00 88.73 55 A 1 ATOM 447 C CE2 . TYR A 0 55 . -23.883 1.240 19.269 1.00 88.73 55 A 1 ATOM 448 O OH . TYR A 0 55 . -25.852 0.068 18.529 1.00 88.73 55 A 1 ATOM 449 C CZ . TYR A 0 55 . -24.537 0.055 18.868 1.00 88.73 55 A 1 ATOM 450 N N . ALA A 0 56 . -20.309 -2.589 22.009 1.00 87.65 56 A 1 ATOM 451 C CA . ALA A 0 56 . -20.869 -3.818 22.559 1.00 87.65 56 A 1 ATOM 452 C C . ALA A 0 56 . -21.013 -3.749 24.087 1.00 87.65 56 A 1 ATOM 453 C CB . ALA A 0 56 . -19.999 -5.000 22.118 1.00 87.65 56 A 1 ATOM 454 O O . ALA A 0 56 . -22.066 -4.106 24.611 1.00 87.65 56 A 1 ATOM 455 N N . ILE A 0 57 . -20.005 -3.218 24.788 1.00 81.08 57 A 1 ATOM 456 C CA . ILE A 0 57 . -20.056 -3.018 26.244 1.00 81.08 57 A 1 ATOM 457 C C . ILE A 0 57 . -21.176 -2.044 26.622 1.00 81.08 57 A 1 ATOM 458 C CB . ILE A 0 57 . -18.686 -2.539 26.773 1.00 81.08 57 A 1 ATOM 459 O O . ILE A 0 57 . -21.916 -2.310 27.569 1.00 81.08 57 A 1 ATOM 460 C CG1 . ILE A 0 57 . -17.626 -3.652 26.607 1.00 81.08 57 A 1 ATOM 461 C CG2 . ILE A 0 57 . -18.776 -2.131 28.258 1.00 81.08 57 A 1 ATOM 462 C CD1 . ILE A 0 57 . -16.185 -3.142 26.738 1.00 81.08 57 A 1 ATOM 463 N N . LYS A 0 58 . -21.352 -0.947 25.868 1.00 78.02 58 A 1 ATOM 464 C CA . LYS A 0 58 . -22.431 0.021 26.122 1.00 78.02 58 A 1 ATOM 465 C C . LYS A 0 58 . -23.811 -0.647 26.128 1.00 78.02 58 A 1 ATOM 466 C CB . LYS A 0 58 . -22.354 1.178 25.111 1.00 78.02 58 A 1 ATOM 467 O O . LYS A 0 58 . -24.619 -0.316 26.991 1.00 78.02 58 A 1 ATOM 468 C CG . LYS A 0 58 . -23.386 2.275 25.426 1.00 78.02 58 A 1 ATOM 469 C CD . LYS A 0 58 . -23.343 3.423 24.410 1.00 78.02 58 A 1 ATOM 470 C CE . LYS A 0 58 . -24.483 4.400 24.724 1.00 78.02 58 A 1 ATOM 471 N NZ . LYS A 0 58 . -24.572 5.501 23.733 1.00 78.02 58 A 1 ATOM 472 N N . ARG A 0 59 . -24.065 -1.604 25.224 1.00 71.92 59 A 1 ATOM 473 C CA . ARG A 0 59 . -25.348 -2.333 25.161 1.00 71.92 59 A 1 ATOM 474 C C . ARG A 0 59 . -25.608 -3.206 26.391 1.00 71.92 59 A 1 ATOM 475 C CB . ARG A 0 59 . -25.436 -3.182 23.885 1.00 71.92 59 A 1 ATOM 476 O O . ARG A 0 59 . -26.747 -3.311 26.825 1.00 71.92 59 A 1 ATOM 477 C CG . ARG A 0 59 . -25.512 -2.323 22.613 1.00 71.92 59 A 1 ATOM 478 C CD . ARG A 0 59 . -25.840 -3.168 21.376 1.00 71.92 59 A 1 ATOM 479 N NE . ARG A 0 59 . -24.794 -4.172 21.092 1.00 71.92 59 A 1 ATOM 480 N NH1 . ARG A 0 59 . -25.720 -5.011 19.168 1.00 71.92 59 A 1 ATOM 481 N NH2 . ARG A 0 59 . -23.791 -5.850 19.916 1.00 71.92 59 A 1 ATOM 482 C CZ . ARG A 0 59 . -24.772 -5.003 20.065 1.00 71.92 59 A 1 ATOM 483 N N . ASN A 0 60 . -24.572 -3.780 27.000 1.00 67.50 60 A 1 ATOM 484 C CA . ASN A 0 60 . -24.745 -4.640 28.176 1.00 67.50 60 A 1 ATOM 485 C C . ASN A 0 60 . -25.140 -3.871 29.447 1.00 67.50 60 A 1 ATOM 486 C CB . ASN A 0 60 . -23.467 -5.465 28.393 1.00 67.50 60 A 1 ATOM 487 O O . ASN A 0 60 . -25.622 -4.484 30.395 1.00 67.50 60 A 1 ATOM 488 C CG . ASN A 0 60 . -23.243 -6.497 27.303 1.00 67.50 60 A 1 ATOM 489 N ND2 . ASN A 0 60 . -22.008 -6.838 27.024 1.00 67.50 60 A 1 ATOM 490 O OD1 . ASN A 0 60 . -24.155 -7.019 26.688 1.00 67.50 60 A 1 ATOM 491 N N . ARG A 0 61 . -24.968 -2.541 29.493 1.00 63.03 61 A 1 ATOM 492 C CA . ARG A 0 61 . -25.318 -1.754 30.687 1.00 63.03 61 A 1 ATOM 493 C C . ARG A 0 61 . -26.828 -1.607 30.898 1.00 63.03 61 A 1 ATOM 494 C CB . ARG A 0 61 . -24.590 -0.398 30.669 1.00 63.03 61 A 1 ATOM 495 O O . ARG A 0 61 . -27.245 -1.349 32.020 1.00 63.03 61 A 1 ATOM 496 C CG . ARG A 0 61 . -24.434 0.146 32.101 1.00 63.03 61 A 1 ATOM 497 C CD . ARG A 0 61 . -23.530 1.381 32.180 1.00 63.03 61 A 1 ATOM 498 N NE . ARG A 0 61 . -24.282 2.641 32.026 1.00 63.03 61 A 1 ATOM 499 N NH1 . ARG A 0 61 . -22.489 4.058 32.240 1.00 63.03 61 A 1 ATOM 500 N NH2 . ARG A 0 61 . -24.555 4.901 32.141 1.00 63.03 61 A 1 ATOM 501 C CZ . ARG A 0 61 . -23.774 3.857 32.131 1.00 63.03 61 A 1 ATOM 502 N N . GLU A 0 62 . -27.647 -1.796 29.866 1.00 62.10 62 A 1 ATOM 503 C CA . GLU A 0 62 . -29.111 -1.710 29.999 1.00 62.10 62 A 1 ATOM 504 C C . GLU A 0 62 . -29.680 -2.863 30.846 1.00 62.10 62 A 1 ATOM 505 C CB . GLU A 0 62 . -29.756 -1.620 28.604 1.00 62.10 62 A 1 ATOM 506 O O . GLU A 0 62 . -30.597 -2.645 31.637 1.00 62.10 62 A 1 ATOM 507 C CG . GLU A 0 62 . -29.405 -0.278 27.930 1.00 62.10 62 A 1 ATOM 508 C CD . GLU A 0 62 . -29.987 -0.089 26.519 1.00 62.10 62 A 1 ATOM 509 O OE1 . GLU A 0 62 . -29.688 0.979 25.931 1.00 62.10 62 A 1 ATOM 510 O OE2 . GLU A 0 62 . -30.663 -1.009 26.009 1.00 62.10 62 A 1 ATOM 511 N N . LEU A 0 63 . -29.057 -4.048 30.798 1.00 61.76 63 A 1 ATOM 512 C CA . LEU A 0 63 . -29.437 -5.206 31.620 1.00 61.76 63 A 1 ATOM 513 C C . LEU A 0 63 . -29.119 -5.027 33.115 1.00 61.76 63 A 1 ATOM 514 C CB . LEU A 0 63 . -28.733 -6.462 31.072 1.00 61.76 63 A 1 ATOM 515 O O . LEU A 0 63 . -29.742 -5.679 33.947 1.00 61.76 63 A 1 ATOM 516 C CG . LEU A 0 63 . -29.246 -6.928 29.696 1.00 61.76 63 A 1 ATOM 517 C CD1 . LEU A 0 63 . -28.255 -7.913 29.076 1.00 61.76 63 A 1 ATOM 518 C CD2 . LEU A 0 63 . -30.608 -7.619 29.803 1.00 61.76 63 A 1 ATOM 519 N N . GLY A 0 64 . -28.184 -4.141 33.481 1.00 61.95 64 A 1 ATOM 520 C CA . GLY A 0 64 . -27.819 -3.900 34.885 1.00 61.95 64 A 1 ATOM 521 C C . GLY A 0 64 . -28.967 -3.324 35.720 1.00 61.95 64 A 1 ATOM 522 O O . GLY A 0 64 . -29.084 -3.630 36.900 1.00 61.95 64 A 1 ATOM 523 N N . THR A 0 65 . -29.879 -2.577 35.088 1.00 64.57 65 A 1 ATOM 524 C CA . THR A 0 65 . -31.033 -1.974 35.780 1.00 64.57 65 A 1 ATOM 525 C C . THR A 0 65 . -31.986 -3.010 36.381 1.00 64.57 65 A 1 ATOM 526 C CB . THR A 0 65 . -31.826 -1.041 34.853 1.00 64.57 65 A 1 ATOM 527 O O . THR A 0 65 . -32.652 -2.719 37.370 1.00 64.57 65 A 1 ATOM 528 C CG2 . THR A 0 65 . -30.976 0.114 34.324 1.00 64.57 65 A 1 ATOM 529 O OG1 . THR A 0 65 . -32.364 -1.727 33.740 1.00 64.57 65 A 1 ATOM 530 N N . SER A 0 66 . -32.030 -4.223 35.820 1.00 64.94 66 A 1 ATOM 531 C CA . SER A 0 66 . -32.851 -5.327 36.328 1.00 64.94 66 A 1 ATOM 532 C C . SER A 0 66 . -32.167 -6.106 37.455 1.00 64.94 66 A 1 ATOM 533 C CB . SER A 0 66 . -33.192 -6.294 35.189 1.00 64.94 66 A 1 ATOM 534 O O . SER A 0 66 . -32.853 -6.661 38.306 1.00 64.94 66 A 1 ATOM 535 O OG . SER A 0 66 . -33.581 -5.594 34.020 1.00 64.94 66 A 1 ATOM 536 N N . PHE A 0 67 . -30.829 -6.154 37.473 1.00 65.01 67 A 1 ATOM 537 C CA . PHE A 0 67 . -30.063 -6.868 38.503 1.00 65.01 67 A 1 ATOM 538 C C . PHE A 0 67 . -29.823 -6.032 39.769 1.00 65.01 67 A 1 ATOM 539 C CB . PHE A 0 67 . -28.739 -7.379 37.917 1.00 65.01 67 A 1 ATOM 540 O O . PHE A 0 67 . -29.658 -6.610 40.839 1.00 65.01 67 A 1 ATOM 541 C CG . PHE A 0 67 . -28.888 -8.578 36.997 1.00 65.01 67 A 1 ATOM 542 C CD1 . PHE A 0 67 . -29.130 -9.854 37.541 1.00 65.01 67 A 1 ATOM 543 C CD2 . PHE A 0 67 . -28.782 -8.428 35.602 1.00 65.01 67 A 1 ATOM 544 C CE1 . PHE A 0 67 . -29.267 -10.970 36.696 1.00 65.01 67 A 1 ATOM 545 C CE2 . PHE A 0 67 . -28.927 -9.541 34.755 1.00 65.01 67 A 1 ATOM 546 C CZ . PHE A 0 67 . -29.168 -10.813 35.302 1.00 65.01 67 A 1 ATOM 547 N N . ASP A 0 68 . -29.853 -4.699 39.672 1.00 68.97 68 A 1 ATOM 548 C CA . ASP A 0 68 . -29.730 -3.802 40.832 1.00 68.97 68 A 1 ATOM 549 C C . ASP A 0 68 . -31.024 -3.704 41.670 1.00 68.97 68 A 1 ATOM 550 C CB . ASP A 0 68 . -29.274 -2.404 40.368 1.00 68.97 68 A 1 ATOM 551 O O . ASP A 0 68 . -31.026 -3.110 42.751 1.00 68.97 68 A 1 ATOM 552 C CG . ASP A 0 68 . -27.798 -2.310 39.954 1.00 68.97 68 A 1 ATOM 553 O OD1 . ASP A 0 68 . -27.001 -3.204 40.319 1.00 68.97 68 A 1 ATOM 554 O OD2 . ASP A 0 68 . -27.458 -1.300 39.292 1.00 68.97 68 A 1 ATOM 555 N N . GLN A 0 69 . -32.142 -4.279 41.209 1.00 72.24 69 A 1 ATOM 556 C CA . GLN A 0 69 . -33.361 -4.354 42.013 1.00 72.24 69 A 1 ATOM 557 C C . GLN A 0 69 . -33.234 -5.473 43.050 1.00 72.24 69 A 1 ATOM 558 C CB . GLN A 0 69 . -34.608 -4.506 41.127 1.00 72.24 69 A 1 ATOM 559 O O . GLN A 0 69 . -33.282 -6.659 42.723 1.00 72.24 69 A 1 ATOM 560 C CG . GLN A 0 69 . -34.972 -3.173 40.456 1.00 72.24 69 A 1 ATOM 561 C CD . GLN A 0 69 . -36.274 -3.250 39.664 1.00 72.24 69 A 1 ATOM 562 N NE2 . GLN A 0 69 . -37.180 -2.310 39.839 1.00 72.24 69 A 1 ATOM 563 O OE1 . GLN A 0 69 . -36.519 -4.139 38.868 1.00 72.24 69 A 1 ATOM 564 N N . LEU A 0 70 . -33.104 -5.090 44.325 1.00 75.65 70 A 1 ATOM 565 C CA . LEU A 0 70 . -33.248 -6.029 45.435 1.00 75.65 70 A 1 ATOM 566 C C . LEU A 0 70 . -34.619 -6.722 45.336 1.00 75.65 70 A 1 ATOM 567 C CB . LEU A 0 70 . -33.105 -5.304 46.787 1.00 75.65 70 A 1 ATOM 568 O O . LEU A 0 70 . -35.621 -6.040 45.095 1.00 75.65 70 A 1 ATOM 569 C CG . LEU A 0 70 . -31.673 -4.847 47.115 1.00 75.65 70 A 1 ATOM 570 C CD1 . LEU A 0 70 . -31.692 -3.930 48.339 1.00 75.65 70 A 1 ATOM 571 C CD2 . LEU A 0 70 . -30.753 -6.030 47.428 1.00 75.65 70 A 1 ATOM 572 N N . PRO A 0 71 . -34.691 -8.053 45.525 1.00 75.37 71 A 1 ATOM 573 C CA . PRO A 0 71 . -35.967 -8.749 45.535 1.00 75.37 71 A 1 ATOM 574 C C . PRO A 0 71 . -36.861 -8.161 46.638 1.00 75.37 71 A 1 ATOM 575 C CB . PRO A 0 71 . -35.639 -10.228 45.765 1.00 75.37 71 A 1 ATOM 576 O O . PRO A 0 71 . -36.358 -7.831 47.718 1.00 75.37 71 A 1 ATOM 577 C CG . PRO A 0 71 . -34.289 -10.189 46.482 1.00 75.37 71 A 1 ATOM 578 C CD . PRO A 0 71 . -33.610 -8.955 45.892 1.00 75.37 71 A 1 ATOM 579 N N . PRO A 0 72 . -38.175 -8.010 46.398 1.00 75.47 72 A 1 ATOM 580 C CA . PRO A 0 72 . -39.080 -7.505 47.417 1.00 75.47 72 A 1 ATOM 581 C C . PRO A 0 72 . -39.078 -8.454 48.620 1.00 75.47 72 A 1 ATOM 582 C CB . PRO A 0 72 . -40.448 -7.378 46.740 1.00 75.47 72 A 1 ATOM 583 O O . PRO A 0 72 . -39.312 -9.655 48.484 1.00 75.47 72 A 1 ATOM 584 C CG . PRO A 0 72 . -40.374 -8.362 45.573 1.00 75.47 72 A 1 ATOM 585 C CD . PRO A 0 72 . -38.897 -8.358 45.186 1.00 75.47 72 A 1 ATOM 586 N N . TYR A 0 73 . -38.798 -7.905 49.802 1.00 75.19 73 A 1 ATOM 587 C CA . TYR A 0 73 . -38.860 -8.644 51.056 1.00 75.19 73 A 1 ATOM 588 C C . TYR A 0 73 . -40.330 -8.820 51.440 1.00 75.19 73 A 1 ATOM 589 C CB . TYR A 0 73 . -38.044 -7.911 52.134 1.00 75.19 73 A 1 ATOM 590 O O . TYR A 0 73 . -40.966 -7.891 51.933 1.00 75.19 73 A 1 ATOM 591 C CG . TYR A 0 73 . -37.668 -8.774 53.324 1.00 75.19 73 A 1 ATOM 592 C CD1 . TYR A 0 73 . -38.485 -8.822 54.471 1.00 75.19 73 A 1 ATOM 593 C CD2 . TYR A 0 73 . -36.476 -9.524 53.279 1.00 75.19 73 A 1 ATOM 594 C CE1 . TYR A 0 73 . -38.102 -9.611 55.575 1.00 75.19 73 A 1 ATOM 595 C CE2 . TYR A 0 73 . -36.092 -10.315 54.378 1.00 75.19 73 A 1 ATOM 596 O OH . TYR A 0 73 . -36.532 -11.111 56.597 1.00 75.19 73 A 1 ATOM 597 C CZ . TYR A 0 73 . -36.905 -10.356 55.531 1.00 75.19 73 A 1 ATOM 598 N N . THR A 0 74 . -40.892 -10.000 51.191 1.00 74.51 74 A 1 ATOM 599 C CA . THR A 0 74 . -42.161 -10.386 51.807 1.00 74.51 74 A 1 ATOM 600 C C . THR A 0 74 . -41.837 -10.913 53.199 1.00 74.51 74 A 1 ATOM 601 C CB . THR A 0 74 . -42.927 -11.420 50.964 1.00 74.51 74 A 1 ATOM 602 O O . THR A 0 74 . -41.299 -12.013 53.328 1.00 74.51 74 A 1 ATOM 603 C CG2 . THR A 0 74 . -43.300 -10.865 49.587 1.00 74.51 74 A 1 ATOM 604 O OG1 . THR A 0 74 . -42.153 -12.577 50.758 1.00 74.51 74 A 1 ATOM 605 N N . SER A 0 75 . -42.126 -10.138 54.245 1.00 74.30 75 A 1 ATOM 606 C CA . SER A 0 75 . -42.247 -10.708 55.585 1.00 74.30 75 A 1 ATOM 607 C C . SER A 0 75 . -43.411 -11.691 55.535 1.00 74.30 75 A 1 ATOM 608 C CB . SER A 0 75 . -42.488 -9.615 56.635 1.00 74.30 75 A 1 ATOM 609 O O . SER A 0 75 . -44.554 -11.276 55.355 1.00 74.30 75 A 1 ATOM 610 O OG . SER A 0 75 . -43.523 -8.739 56.231 1.00 74.30 75 A 1 ATOM 611 N N . SER A 0 76 . -43.121 -12.988 55.602 1.00 74.22 76 A 1 ATOM 612 C CA . SER A 0 76 . -44.138 -13.986 55.907 1.00 74.22 76 A 1 ATOM 613 C C . SER A 0 76 . -44.681 -13.663 57.299 1.00 74.22 76 A 1 ATOM 614 C CB . SER A 0 76 . -43.523 -15.391 55.859 1.00 74.22 76 A 1 ATOM 615 O O . SER A 0 76 . -43.975 -13.881 58.286 1.00 74.22 76 A 1 ATOM 616 O OG . SER A 0 76 . -42.361 -15.443 56.669 1.00 74.22 76 A 1 ATOM 617 N N . GLU A 0 77 . -45.866 -13.059 57.352 1.00 63.16 77 A 1 ATOM 618 C CA . GLU A 0 77 . -46.742 -13.155 58.523 1.00 63.16 77 A 1 ATOM 619 C C . GLU A 0 77 . -47.239 -14.595 58.691 1.00 63.16 77 A 1 ATOM 620 C CB . GLU A 0 77 . -47.921 -12.168 58.421 1.00 63.16 77 A 1 ATOM 621 O O . GLU A 0 77 . -47.454 -15.274 57.656 1.00 63.16 77 A 1 ATOM 622 C CG . GLU A 0 77 . -47.515 -10.697 58.630 1.00 63.16 77 A 1 ATOM 623 C CD . GLU A 0 77 . -48.720 -9.754 58.853 1.00 63.16 77 A 1 ATOM 624 O OE1 . GLU A 0 77 . -48.527 -8.721 59.540 1.00 63.16 77 A 1 ATOM 625 O OE2 . GLU A 0 77 . -49.821 -10.029 58.320 1.00 63.16 77 A 1 ATOM 626 O OXT . GLU A 0 77 . -47.335 -15.004 59.867 1.00 63.16 77 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 88.20 # loop_ _atom_type.symbol C N O S #