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 ILE 0 3 SER 0 4 ARG 0 5 PHE 0 6 VAL 0 7 THR 0 8 LYS 0 9 THR 0 10 PRO 0 11 ASN 0 12 ASN 0 13 LEU 0 14 LEU 0 15 SER 0 16 ILE 0 17 SER 0 18 ARG 0 19 VAL 0 20 ASN 0 21 HIS 0 22 VAL 0 23 ARG 0 24 ASN 0 25 HIS 0 26 VAL 0 27 PRO 0 28 MET 0 29 ARG 0 30 PHE 0 31 PRO 0 32 ALA 0 33 GLY 0 34 THR 0 35 TYR 0 36 ASP 0 37 GLU 0 38 LEU 0 39 GLN 0 40 ILE 0 41 PRO 0 42 GLN 0 43 GLY 0 44 SER 0 45 TRP 0 46 SER 0 47 GLU 0 48 LEU 0 49 HIS 0 50 LYS 0 51 GLN 0 52 HIS 0 53 ASN 0 54 LYS 0 55 LEU 0 56 TYR 0 57 ASN 0 58 LYS 0 59 PHE 0 60 PHE 0 61 ILE 0 62 VAL 0 63 SER 0 64 ALA 0 65 THR 0 66 ILE 0 67 ALA 0 68 THR 0 69 ALA 0 70 LEU 0 71 PHE 0 72 ALA 0 73 ALA 0 74 ALA 0 75 PHE 0 76 TYR 0 77 VAL 0 78 SER 0 79 ASP 0 80 ILE 0 81 ASN 0 82 LYS 0 83 TYR 0 84 ARG 0 85 LEU 0 86 PRO 0 87 LYS 0 88 ALA 0 89 SER 0 90 ASN 0 91 SER 0 92 GLU 0 93 GLU 0 94 GLY 0 95 LEU 0 96 LYS 0 97 PHE 0 98 LEU 0 99 ASN 0 100 PRO 0 101 ASP 0 102 PRO 0 103 LYS 0 104 ALA 0 105 LEU 0 106 LYS 0 107 TYR 0 108 ILE 0 109 ILE 0 110 GLU 0 111 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 . 24.828 10.459 0.905 1.00 50.39 1 A 1 ATOM 2 C CA . MET A 0 1 . 24.904 10.898 2.322 1.00 50.39 1 A 1 ATOM 3 C C . MET A 0 1 . 23.714 10.358 3.138 1.00 50.39 1 A 1 ATOM 4 C CB . MET A 0 1 . 24.989 12.437 2.395 1.00 50.39 1 A 1 ATOM 5 O O . MET A 0 1 . 23.072 11.101 3.864 1.00 50.39 1 A 1 ATOM 6 C CG . MET A 0 1 . 26.248 12.998 1.722 1.00 50.39 1 A 1 ATOM 7 S SD . MET A 0 1 . 26.249 14.799 1.558 1.00 50.39 1 A 1 ATOM 8 C CE . MET A 0 1 . 26.721 15.320 3.230 1.00 50.39 1 A 1 ATOM 9 N N . ILE A 0 2 . 23.419 9.054 3.034 1.00 62.06 2 A 1 ATOM 10 C CA . ILE A 0 2 . 22.208 8.409 3.602 1.00 62.06 2 A 1 ATOM 11 C C . ILE A 0 2 . 22.443 7.861 5.031 1.00 62.06 2 A 1 ATOM 12 C CB . ILE A 0 2 . 21.677 7.373 2.564 1.00 62.06 2 A 1 ATOM 13 O O . ILE A 0 2 . 21.542 7.341 5.677 1.00 62.06 2 A 1 ATOM 14 C CG1 . ILE A 0 2 . 21.055 8.140 1.369 1.00 62.06 2 A 1 ATOM 15 C CG2 . ILE A 0 2 . 20.654 6.361 3.110 1.00 62.06 2 A 1 ATOM 16 C CD1 . ILE A 0 2 . 20.802 7.284 0.120 1.00 62.06 2 A 1 ATOM 17 N N . SER A 0 3 . 23.637 8.047 5.599 1.00 61.82 3 A 1 ATOM 18 C CA . SER A 0 3 . 24.054 7.435 6.871 1.00 61.82 3 A 1 ATOM 19 C C . SER A 0 3 . 23.431 8.026 8.149 1.00 61.82 3 A 1 ATOM 20 C CB . SER A 0 3 . 25.584 7.454 6.964 1.00 61.82 3 A 1 ATOM 21 O O . SER A 0 3 . 23.835 7.642 9.241 1.00 61.82 3 A 1 ATOM 22 O OG . SER A 0 3 . 26.077 8.782 6.880 1.00 61.82 3 A 1 ATOM 23 N N . ARG A 0 4 . 22.462 8.950 8.060 1.00 63.55 4 A 1 ATOM 24 C CA . ARG A 0 4 . 21.921 9.678 9.230 1.00 63.55 4 A 1 ATOM 25 C C . ARG A 0 4 . 20.512 9.272 9.687 1.00 63.55 4 A 1 ATOM 26 C CB . ARG A 0 4 . 22.076 11.198 9.039 1.00 63.55 4 A 1 ATOM 27 O O . ARG A 0 4 . 20.019 9.858 10.642 1.00 63.55 4 A 1 ATOM 28 C CG . ARG A 0 4 . 23.550 11.634 9.098 1.00 63.55 4 A 1 ATOM 29 C CD . ARG A 0 4 . 23.657 13.162 9.183 1.00 63.55 4 A 1 ATOM 30 N NE . ARG A 0 4 . 25.060 13.611 9.298 1.00 63.55 4 A 1 ATOM 31 N NH1 . ARG A 0 4 . 24.633 15.795 9.880 1.00 63.55 4 A 1 ATOM 32 N NH2 . ARG A 0 4 . 26.742 15.106 9.680 1.00 63.55 4 A 1 ATOM 33 C CZ . ARG A 0 4 . 25.469 14.829 9.617 1.00 63.55 4 A 1 ATOM 34 N N . PHE A 0 5 . 19.887 8.258 9.086 1.00 61.66 5 A 1 ATOM 35 C CA . PHE A 0 5 . 18.528 7.817 9.459 1.00 61.66 5 A 1 ATOM 36 C C . PHE A 0 5 . 18.469 6.568 10.357 1.00 61.66 5 A 1 ATOM 37 C CB . PHE A 0 5 . 17.646 7.720 8.207 1.00 61.66 5 A 1 ATOM 38 O O . PHE A 0 5 . 17.431 5.922 10.457 1.00 61.66 5 A 1 ATOM 39 C CG . PHE A 0 5 . 17.307 9.077 7.627 1.00 61.66 5 A 1 ATOM 40 C CD1 . PHE A 0 5 . 16.403 9.918 8.306 1.00 61.66 5 A 1 ATOM 41 C CD2 . PHE A 0 5 . 17.889 9.504 6.420 1.00 61.66 5 A 1 ATOM 42 C CE1 . PHE A 0 5 . 16.083 11.181 7.780 1.00 61.66 5 A 1 ATOM 43 C CE2 . PHE A 0 5 . 17.565 10.767 5.892 1.00 61.66 5 A 1 ATOM 44 C CZ . PHE A 0 5 . 16.662 11.604 6.572 1.00 61.66 5 A 1 ATOM 45 N N . VAL A 0 6 . 19.553 6.228 11.059 1.00 65.14 6 A 1 ATOM 46 C CA . VAL A 0 6 . 19.557 5.113 12.022 1.00 65.14 6 A 1 ATOM 47 C C . VAL A 0 6 . 19.003 5.605 13.365 1.00 65.14 6 A 1 ATOM 48 C CB . VAL A 0 6 . 20.942 4.440 12.129 1.00 65.14 6 A 1 ATOM 49 O O . VAL A 0 6 . 19.732 5.843 14.325 1.00 65.14 6 A 1 ATOM 50 C CG1 . VAL A 0 6 . 20.873 3.165 12.982 1.00 65.14 6 A 1 ATOM 51 C CG2 . VAL A 0 6 . 21.483 4.023 10.751 1.00 65.14 6 A 1 ATOM 52 N N . THR A 0 7 . 17.692 5.823 13.431 1.00 61.47 7 A 1 ATOM 53 C CA . THR A 0 7 . 16.985 6.005 14.703 1.00 61.47 7 A 1 ATOM 54 C C . THR A 0 7 . 16.811 4.646 15.369 1.00 61.47 7 A 1 ATOM 55 C CB . THR A 0 7 . 15.623 6.686 14.517 1.00 61.47 7 A 1 ATOM 56 O O . THR A 0 7 . 16.327 3.711 14.734 1.00 61.47 7 A 1 ATOM 57 C CG2 . THR A 0 7 . 15.792 8.159 14.145 1.00 61.47 7 A 1 ATOM 58 O OG1 . THR A 0 7 . 14.896 6.064 13.485 1.00 61.47 7 A 1 ATOM 59 N N . LYS A 0 8 . 17.210 4.546 16.644 1.00 60.67 8 A 1 ATOM 60 C CA . LYS A 0 8 . 17.056 3.374 17.519 1.00 60.67 8 A 1 ATOM 61 C C . LYS A 0 8 . 15.687 2.706 17.322 1.00 60.67 8 A 1 ATOM 62 C CB . LYS A 0 8 . 17.187 3.824 18.989 1.00 60.67 8 A 1 ATOM 63 O O . LYS A 0 8 . 14.679 3.213 17.806 1.00 60.67 8 A 1 ATOM 64 C CG . LYS A 0 8 . 18.615 4.166 19.440 1.00 60.67 8 A 1 ATOM 65 C CD . LYS A 0 8 . 18.604 4.624 20.909 1.00 60.67 8 A 1 ATOM 66 C CE . LYS A 0 8 . 20.027 4.807 21.451 1.00 60.67 8 A 1 ATOM 67 N NZ . LYS A 0 8 . 20.023 5.230 22.876 1.00 60.67 8 A 1 ATOM 68 N N . THR A 0 9 . 15.657 1.559 16.652 1.00 62.36 9 A 1 ATOM 69 C CA . THR A 0 9 . 14.509 0.651 16.684 1.00 62.36 9 A 1 ATOM 70 C C . THR A 0 9 . 14.359 0.135 18.115 1.00 62.36 9 A 1 ATOM 71 C CB . THR A 0 9 . 14.713 -0.539 15.732 1.00 62.36 9 A 1 ATOM 72 O O . THR A 0 9 . 15.322 -0.421 18.647 1.00 62.36 9 A 1 ATOM 73 C CG2 . THR A 0 9 . 14.409 -0.149 14.287 1.00 62.36 9 A 1 ATOM 74 O OG1 . THR A 0 9 . 16.053 -0.984 15.781 1.00 62.36 9 A 1 ATOM 75 N N . PRO A 0 10 . 13.206 0.306 18.783 1.00 65.42 10 A 1 ATOM 76 C CA . PRO A 0 10 . 12.985 -0.361 20.055 1.00 65.42 10 A 1 ATOM 77 C C . PRO A 0 10 . 12.993 -1.874 19.805 1.00 65.42 10 A 1 ATOM 78 C CB . PRO A 0 10 . 11.647 0.175 20.574 1.00 65.42 10 A 1 ATOM 79 O O . PRO A 0 10 . 12.224 -2.377 18.987 1.00 65.42 10 A 1 ATOM 80 C CG . PRO A 0 10 . 10.903 0.592 19.305 1.00 65.42 10 A 1 ATOM 81 C CD . PRO A 0 10 . 12.015 1.020 18.348 1.00 65.42 10 A 1 ATOM 82 N N . ASN A 0 11 . 13.844 -2.602 20.529 1.00 62.70 11 A 1 ATOM 83 C CA . ASN A 0 11 . 14.023 -4.060 20.433 1.00 62.70 11 A 1 ATOM 84 C C . ASN A 0 11 . 12.753 -4.890 20.748 1.00 62.70 11 A 1 ATOM 85 C CB . ASN A 0 11 . 15.201 -4.459 21.350 1.00 62.70 11 A 1 ATOM 86 O O . ASN A 0 11 . 12.809 -6.114 20.760 1.00 62.70 11 A 1 ATOM 87 C CG . ASN A 0 11 . 16.563 -4.014 20.841 1.00 62.70 11 A 1 ATOM 88 N ND2 . ASN A 0 11 . 17.564 -4.007 21.689 1.00 62.70 11 A 1 ATOM 89 O OD1 . ASN A 0 11 . 16.757 -3.669 19.690 1.00 62.70 11 A 1 ATOM 90 N N . ASN A 0 12 . 11.603 -4.245 20.973 1.00 60.11 12 A 1 ATOM 91 C CA . ASN A 0 12 . 10.345 -4.870 21.381 1.00 60.11 12 A 1 ATOM 92 C C . ASN A 0 12 . 9.277 -4.929 20.274 1.00 60.11 12 A 1 ATOM 93 C CB . ASN A 0 12 . 9.830 -4.162 22.649 1.00 60.11 12 A 1 ATOM 94 O O . ASN A 0 12 . 8.149 -5.317 20.556 1.00 60.11 12 A 1 ATOM 95 C CG . ASN A 0 12 . 10.623 -4.506 23.896 1.00 60.11 12 A 1 ATOM 96 N ND2 . ASN A 0 12 . 10.264 -3.935 25.020 1.00 60.11 12 A 1 ATOM 97 O OD1 . ASN A 0 12 . 11.565 -5.277 23.898 1.00 60.11 12 A 1 ATOM 98 N N . LEU A 0 13 . 9.583 -4.562 19.024 1.00 60.06 13 A 1 ATOM 99 C CA . LEU A 0 13 . 8.574 -4.568 17.950 1.00 60.06 13 A 1 ATOM 100 C C . LEU A 0 13 . 8.224 -5.967 17.411 1.00 60.06 13 A 1 ATOM 101 C CB . LEU A 0 13 . 8.996 -3.588 16.838 1.00 60.06 13 A 1 ATOM 102 O O . LEU A 0 13 . 7.211 -6.108 16.737 1.00 60.06 13 A 1 ATOM 103 C CG . LEU A 0 13 . 8.461 -2.168 17.099 1.00 60.06 13 A 1 ATOM 104 C CD1 . LEU A 0 13 . 9.255 -1.143 16.289 1.00 60.06 13 A 1 ATOM 105 C CD2 . LEU A 0 13 . 6.985 -2.042 16.709 1.00 60.06 13 A 1 ATOM 106 N N . LEU A 0 14 . 9.017 -6.998 17.724 1.00 57.88 14 A 1 ATOM 107 C CA . LEU A 0 14 . 8.784 -8.380 17.280 1.00 57.88 14 A 1 ATOM 108 C C . LEU A 0 14 . 8.989 -9.403 18.408 1.00 57.88 14 A 1 ATOM 109 C CB . LEU A 0 14 . 9.651 -8.701 16.045 1.00 57.88 14 A 1 ATOM 110 O O . LEU A 0 14 . 9.485 -10.504 18.168 1.00 57.88 14 A 1 ATOM 111 C CG . LEU A 0 14 . 9.349 -7.885 14.776 1.00 57.88 14 A 1 ATOM 112 C CD1 . LEU A 0 14 . 10.378 -8.247 13.705 1.00 57.88 14 A 1 ATOM 113 C CD2 . LEU A 0 14 . 7.960 -8.175 14.202 1.00 57.88 14 A 1 ATOM 114 N N . SER A 0 15 . 8.607 -9.080 19.649 1.00 64.23 15 A 1 ATOM 115 C CA . SER A 0 15 . 8.412 -10.138 20.643 1.00 64.23 15 A 1 ATOM 116 C C . SER A 0 15 . 7.152 -10.924 20.268 1.00 64.23 15 A 1 ATOM 117 C CB . SER A 0 15 . 8.398 -9.610 22.083 1.00 64.23 15 A 1 ATOM 118 O O . SER A 0 15 . 6.053 -10.670 20.750 1.00 64.23 15 A 1 ATOM 119 O OG . SER A 0 15 . 7.452 -8.581 22.258 1.00 64.23 15 A 1 ATOM 120 N N . ILE A 0 16 . 7.312 -11.904 19.376 1.00 64.42 16 A 1 ATOM 121 C CA . ILE A 0 16 . 6.352 -12.997 19.233 1.00 64.42 16 A 1 ATOM 122 C C . ILE A 0 16 . 6.389 -13.729 20.574 1.00 64.42 16 A 1 ATOM 123 C CB . ILE A 0 16 . 6.693 -13.907 18.029 1.00 64.42 16 A 1 ATOM 124 O O . ILE A 0 16 . 7.270 -14.553 20.833 1.00 64.42 16 A 1 ATOM 125 C CG1 . ILE A 0 16 . 6.628 -13.100 16.710 1.00 64.42 16 A 1 ATOM 126 C CG2 . ILE A 0 16 . 5.728 -15.110 17.974 1.00 64.42 16 A 1 ATOM 127 C CD1 . ILE A 0 16 . 7.144 -13.864 15.483 1.00 64.42 16 A 1 ATOM 128 N N . SER A 0 17 . 5.482 -13.358 21.475 1.00 66.70 17 A 1 ATOM 129 C CA . SER A 0 17 . 5.249 -14.086 22.709 1.00 66.70 17 A 1 ATOM 130 C C . SER A 0 17 . 4.909 -15.520 22.316 1.00 66.70 17 A 1 ATOM 131 C CB . SER A 0 17 . 4.142 -13.415 23.539 1.00 66.70 17 A 1 ATOM 132 O O . SER A 0 17 . 3.899 -15.793 21.669 1.00 66.70 17 A 1 ATOM 133 O OG . SER A 0 17 . 3.062 -12.994 22.728 1.00 66.70 17 A 1 ATOM 134 N N . ARG A 0 18 . 5.798 -16.463 22.647 1.00 68.53 18 A 1 ATOM 135 C CA . ARG A 0 18 . 5.499 -17.887 22.493 1.00 68.53 18 A 1 ATOM 136 C C . ARG A 0 18 . 4.318 -18.188 23.412 1.00 68.53 18 A 1 ATOM 137 C CB . ARG A 0 18 . 6.717 -18.763 22.829 1.00 68.53 18 A 1 ATOM 138 O O . ARG A 0 18 . 4.476 -18.219 24.630 1.00 68.53 18 A 1 ATOM 139 C CG . ARG A 0 18 . 7.909 -18.554 21.881 1.00 68.53 18 A 1 ATOM 140 C CD . ARG A 0 18 . 8.985 -19.610 22.173 1.00 68.53 18 A 1 ATOM 141 N NE . ARG A 0 18 . 10.267 -19.291 21.516 1.00 68.53 18 A 1 ATOM 142 N NH1 . ARG A 0 18 . 11.306 -21.310 21.873 1.00 68.53 18 A 1 ATOM 143 N NH2 . ARG A 0 18 . 12.433 -19.649 20.903 1.00 68.53 18 A 1 ATOM 144 C CZ . ARG A 0 18 . 11.324 -20.082 21.433 1.00 68.53 18 A 1 ATOM 145 N N . VAL A 0 19 . 3.131 -18.360 22.839 1.00 70.21 19 A 1 ATOM 146 C CA . VAL A 0 19 . 1.942 -18.774 23.585 1.00 70.21 19 A 1 ATOM 147 C C . VAL A 0 19 . 2.138 -20.234 23.988 1.00 70.21 19 A 1 ATOM 148 C CB . VAL A 0 19 . 0.651 -18.557 22.770 1.00 70.21 19 A 1 ATOM 149 O O . VAL A 0 19 . 2.030 -21.146 23.165 1.00 70.21 19 A 1 ATOM 150 C CG1 . VAL A 0 19 . -0.587 -19.026 23.545 1.00 70.21 19 A 1 ATOM 151 C CG2 . VAL A 0 19 . 0.459 -17.071 22.437 1.00 70.21 19 A 1 ATOM 152 N N . ASN A 0 20 . 2.446 -20.466 25.264 1.00 73.19 20 A 1 ATOM 153 C CA . ASN A 0 20 . 2.384 -21.802 25.843 1.00 73.19 20 A 1 ATOM 154 C C . ASN A 0 20 . 0.914 -22.237 25.857 1.00 73.19 20 A 1 ATOM 155 C CB . ASN A 0 20 . 3.008 -21.795 27.250 1.00 73.19 20 A 1 ATOM 156 O O . ASN A 0 20 . 0.112 -21.710 26.626 1.00 73.19 20 A 1 ATOM 157 C CG . ASN A 0 20 . 4.520 -21.663 27.227 1.00 73.19 20 A 1 ATOM 158 N ND2 . ASN A 0 20 . 5.092 -20.967 28.181 1.00 73.19 20 A 1 ATOM 159 O OD1 . ASN A 0 20 . 5.207 -22.199 26.373 1.00 73.19 20 A 1 ATOM 160 N N . HIS A 0 21 . 0.547 -23.177 24.986 1.00 71.04 21 A 1 ATOM 161 C CA . HIS A 0 21 . -0.799 -23.737 24.968 1.00 71.04 21 A 1 ATOM 162 C C . HIS A 0 21 . -0.975 -24.604 26.221 1.00 71.04 21 A 1 ATOM 163 C CB . HIS A 0 21 . -1.025 -24.538 23.677 1.00 71.04 21 A 1 ATOM 164 O O . HIS A 0 21 . -0.322 -25.640 26.369 1.00 71.04 21 A 1 ATOM 165 C CG . HIS A 0 21 . -1.072 -23.699 22.420 1.00 71.04 21 A 1 ATOM 166 C CD2 . HIS A 0 21 . -2.109 -23.647 21.526 1.00 71.04 21 A 1 ATOM 167 N ND1 . HIS A 0 21 . -0.082 -22.866 21.933 1.00 71.04 21 A 1 ATOM 168 C CE1 . HIS A 0 21 . -0.514 -22.341 20.777 1.00 71.04 21 A 1 ATOM 169 N NE2 . HIS A 0 21 . -1.744 -22.785 20.491 1.00 71.04 21 A 1 ATOM 170 N N . VAL A 0 22 . -1.840 -24.182 27.144 1.00 75.04 22 A 1 ATOM 171 C CA . VAL A 0 22 . -2.211 -24.990 28.311 1.00 75.04 22 A 1 ATOM 172 C C . VAL A 0 22 . -3.039 -26.177 27.810 1.00 75.04 22 A 1 ATOM 173 C CB . VAL A 0 22 . -2.958 -24.145 29.363 1.00 75.04 22 A 1 ATOM 174 O O . VAL A 0 22 . -4.150 -26.008 27.307 1.00 75.04 22 A 1 ATOM 175 C CG1 . VAL A 0 22 . -3.348 -24.992 30.581 1.00 75.04 22 A 1 ATOM 176 C CG2 . VAL A 0 22 . -2.079 -22.986 29.858 1.00 75.04 22 A 1 ATOM 177 N N . ARG A 0 23 . -2.487 -27.393 27.912 1.00 70.79 23 A 1 ATOM 178 C CA . ARG A 0 23 . -3.066 -28.613 27.309 1.00 70.79 23 A 1 ATOM 179 C C . ARG A 0 23 . -4.349 -29.125 27.986 1.00 70.79 23 A 1 ATOM 180 C CB . ARG A 0 23 . -2.008 -29.726 27.185 1.00 70.79 23 A 1 ATOM 181 O O . ARG A 0 23 . -4.948 -30.056 27.471 1.00 70.79 23 A 1 ATOM 182 C CG . ARG A 0 23 . -0.826 -29.339 26.278 1.00 70.79 23 A 1 ATOM 183 C CD . ARG A 0 23 . 0.050 -30.565 25.960 1.00 70.79 23 A 1 ATOM 184 N NE . ARG A 0 23 . 1.483 -30.306 26.218 1.00 70.79 23 A 1 ATOM 185 N NH1 . ARG A 0 23 . 2.343 -30.809 24.139 1.00 70.79 23 A 1 ATOM 186 N NH2 . ARG A 0 23 . 3.718 -30.245 25.798 1.00 70.79 23 A 1 ATOM 187 C CZ . ARG A 0 23 . 2.499 -30.454 25.384 1.00 70.79 23 A 1 ATOM 188 N N . ASN A 0 24 . -4.801 -28.483 29.067 1.00 73.45 24 A 1 ATOM 189 C CA . ASN A 0 24 . -5.994 -28.866 29.835 1.00 73.45 24 A 1 ATOM 190 C C . ASN A 0 24 . -7.023 -27.724 29.949 1.00 73.45 24 A 1 ATOM 191 C CB . ASN A 0 24 . -5.564 -29.402 31.216 1.00 73.45 24 A 1 ATOM 192 O O . ASN A 0 24 . -7.667 -27.574 30.986 1.00 73.45 24 A 1 ATOM 193 C CG . ASN A 0 24 . -4.736 -30.672 31.165 1.00 73.45 24 A 1 ATOM 194 N ND2 . ASN A 0 24 . -4.034 -30.983 32.227 1.00 73.45 24 A 1 ATOM 195 O OD1 . ASN A 0 24 . -4.688 -31.399 30.193 1.00 73.45 24 A 1 ATOM 196 N N . HIS A 0 25 . -7.161 -26.875 28.925 1.00 73.76 25 A 1 ATOM 197 C CA . HIS A 0 25 . -8.253 -25.902 28.919 1.00 73.76 25 A 1 ATOM 198 C C . HIS A 0 25 . -9.578 -26.634 28.653 1.00 73.76 25 A 1 ATOM 199 C CB . HIS A 0 25 . -7.975 -24.729 27.961 1.00 73.76 25 A 1 ATOM 200 O O . HIS A 0 25 . -9.745 -27.300 27.633 1.00 73.76 25 A 1 ATOM 201 C CG . HIS A 0 25 . -8.152 -25.031 26.494 1.00 73.76 25 A 1 ATOM 202 C CD2 . HIS A 0 25 . -9.219 -24.666 25.716 1.00 73.76 25 A 1 ATOM 203 N ND1 . HIS A 0 25 . -7.291 -25.745 25.693 1.00 73.76 25 A 1 ATOM 204 C CE1 . HIS A 0 25 . -7.840 -25.825 24.468 1.00 73.76 25 A 1 ATOM 205 N NE2 . HIS A 0 25 . -9.008 -25.167 24.429 1.00 73.76 25 A 1 ATOM 206 N N . VAL A 0 26 . -10.530 -26.524 29.579 1.00 75.30 26 A 1 ATOM 207 C CA . VAL A 0 26 . -11.934 -26.790 29.254 1.00 75.30 26 A 1 ATOM 208 C C . VAL A 0 26 . -12.342 -25.656 28.311 1.00 75.30 26 A 1 ATOM 209 C CB . VAL A 0 26 . -12.807 -26.829 30.524 1.00 75.30 26 A 1 ATOM 210 O O . VAL A 0 26 . -12.155 -24.497 28.695 1.00 75.30 26 A 1 ATOM 211 C CG1 . VAL A 0 26 . -14.282 -27.094 30.195 1.00 75.30 26 A 1 ATOM 212 C CG2 . VAL A 0 26 . -12.335 -27.937 31.476 1.00 75.30 26 A 1 ATOM 213 N N . PRO A 0 27 . -12.827 -25.923 27.081 1.00 73.64 27 A 1 ATOM 214 C CA . PRO A 0 27 . -13.295 -24.846 26.222 1.00 73.64 27 A 1 ATOM 215 C C . PRO A 0 27 . -14.360 -24.082 27.001 1.00 73.64 27 A 1 ATOM 216 C CB . PRO A 0 27 . -13.839 -25.511 24.952 1.00 73.64 27 A 1 ATOM 217 O O . PRO A 0 27 . -15.289 -24.696 27.535 1.00 73.64 27 A 1 ATOM 218 C CG . PRO A 0 27 . -14.194 -26.925 25.414 1.00 73.64 27 A 1 ATOM 219 C CD . PRO A 0 27 . -13.155 -27.216 26.498 1.00 73.64 27 A 1 ATOM 220 N N . MET A 0 28 . -14.196 -22.763 27.122 1.00 76.93 28 A 1 ATOM 221 C CA . MET A 0 28 . -15.223 -21.922 27.721 1.00 76.93 28 A 1 ATOM 222 C C . MET A 0 28 . -16.493 -22.165 26.907 1.00 76.93 28 A 1 ATOM 223 C CB . MET A 0 28 . -14.778 -20.449 27.724 1.00 76.93 28 A 1 ATOM 224 O O . MET A 0 28 . -16.568 -21.799 25.735 1.00 76.93 28 A 1 ATOM 225 C CG . MET A 0 28 . -15.801 -19.530 28.404 1.00 76.93 28 A 1 ATOM 226 S SD . MET A 0 28 . -15.304 -17.784 28.472 1.00 76.93 28 A 1 ATOM 227 C CE . MET A 0 28 . -14.250 -17.766 29.947 1.00 76.93 28 A 1 ATOM 228 N N . ARG A 0 29 . -17.465 -22.864 27.498 1.00 74.02 29 A 1 ATOM 229 C CA . ARG A 0 29 . -18.795 -22.944 26.912 1.00 74.02 29 A 1 ATOM 230 C C . ARG A 0 29 . -19.349 -21.539 27.043 1.00 74.02 29 A 1 ATOM 231 C CB . ARG A 0 29 . -19.675 -23.987 27.618 1.00 74.02 29 A 1 ATOM 232 O O . ARG A 0 29 . -19.601 -21.097 28.162 1.00 74.02 29 A 1 ATOM 233 C CG . ARG A 0 29 . -19.175 -25.420 27.389 1.00 74.02 29 A 1 ATOM 234 C CD . ARG A 0 29 . -20.202 -26.428 27.919 1.00 74.02 29 A 1 ATOM 235 N NE . ARG A 0 29 . -19.753 -27.821 27.720 1.00 74.02 29 A 1 ATOM 236 N NH1 . ARG A 0 29 . -21.825 -28.811 27.581 1.00 74.02 29 A 1 ATOM 237 N NH2 . ARG A 0 29 . -19.994 -30.068 27.419 1.00 74.02 29 A 1 ATOM 238 C CZ . ARG A 0 29 . -20.523 -28.887 27.575 1.00 74.02 29 A 1 ATOM 239 N N . PHE A 0 30 . -19.452 -20.824 25.927 1.00 75.67 30 A 1 ATOM 240 C CA . PHE A 0 30 . -20.183 -19.568 25.923 1.00 75.67 30 A 1 ATOM 241 C C . PHE A 0 30 . -21.584 -19.858 26.478 1.00 75.67 30 A 1 ATOM 242 C CB . PHE A 0 30 . -20.223 -18.968 24.512 1.00 75.67 30 A 1 ATOM 243 O O . PHE A 0 30 . -22.169 -20.884 26.100 1.00 75.67 30 A 1 ATOM 244 C CG . PHE A 0 30 . -18.848 -18.610 23.977 1.00 75.67 30 A 1 ATOM 245 C CD1 . PHE A 0 30 . -18.176 -17.480 24.479 1.00 75.67 30 A 1 ATOM 246 C CD2 . PHE A 0 30 . -18.226 -19.418 23.006 1.00 75.67 30 A 1 ATOM 247 C CE1 . PHE A 0 30 . -16.885 -17.163 24.020 1.00 75.67 30 A 1 ATOM 248 C CE2 . PHE A 0 30 . -16.935 -19.099 22.545 1.00 75.67 30 A 1 ATOM 249 C CZ . PHE A 0 30 . -16.264 -17.974 23.054 1.00 75.67 30 A 1 ATOM 250 N N . PRO A 0 31 . -22.103 -19.038 27.409 1.00 75.65 31 A 1 ATOM 251 C CA . PRO A 0 31 . -23.502 -19.151 27.788 1.00 75.65 31 A 1 ATOM 252 C C . PRO A 0 31 . -24.351 -19.086 26.512 1.00 75.65 31 A 1 ATOM 253 C CB . PRO A 0 31 . -23.769 -17.997 28.760 1.00 75.65 31 A 1 ATOM 254 O O . PRO A 0 31 . -23.961 -18.453 25.528 1.00 75.65 31 A 1 ATOM 255 C CG . PRO A 0 31 . -22.712 -16.958 28.386 1.00 75.65 31 A 1 ATOM 256 C CD . PRO A 0 31 . -21.526 -17.807 27.932 1.00 75.65 31 A 1 ATOM 257 N N . ALA A 0 32 . -25.478 -19.799 26.491 1.00 80.49 32 A 1 ATOM 258 C CA . ALA A 0 32 . -26.422 -19.663 25.391 1.00 80.49 32 A 1 ATOM 259 C C . ALA A 0 32 . -26.906 -18.207 25.393 1.00 80.49 32 A 1 ATOM 260 C CB . ALA A 0 32 . -27.558 -20.679 25.563 1.00 80.49 32 A 1 ATOM 261 O O . ALA A 0 32 . -27.666 -17.821 26.281 1.00 80.49 32 A 1 ATOM 262 N N . GLY A 0 33 . -26.397 -17.405 24.453 1.00 83.78 33 A 1 ATOM 263 C CA . GLY A 0 33 . -26.674 -15.974 24.398 1.00 83.78 33 A 1 ATOM 264 C C . GLY A 0 33 . -28.178 -15.745 24.346 1.00 83.78 33 A 1 ATOM 265 O O . GLY A 0 33 . -28.850 -16.194 23.416 1.00 83.78 33 A 1 ATOM 266 N N . THR A 0 34 . -28.709 -15.094 25.376 1.00 86.24 34 A 1 ATOM 267 C CA . THR A 0 34 . -30.118 -14.692 25.431 1.00 86.24 34 A 1 ATOM 268 C C . THR A 0 34 . -30.247 -13.289 24.835 1.00 86.24 34 A 1 ATOM 269 C CB . THR A 0 34 . -30.648 -14.813 26.869 1.00 86.24 34 A 1 ATOM 270 O O . THR A 0 34 . -29.290 -12.518 24.862 1.00 86.24 34 A 1 ATOM 271 C CG2 . THR A 0 34 . -32.134 -14.481 27.009 1.00 86.24 34 A 1 ATOM 272 O OG1 . THR A 0 34 . -30.503 -16.160 27.271 1.00 86.24 34 A 1 ATOM 273 N N . TYR A 0 35 . -31.412 -12.933 24.279 1.00 89.17 35 A 1 ATOM 274 C CA . TYR A 0 35 . -31.652 -11.597 23.702 1.00 89.17 35 A 1 ATOM 275 C C . TYR A 0 35 . -31.343 -10.443 24.675 1.00 89.17 35 A 1 ATOM 276 C CB . TYR A 0 35 . -33.103 -11.501 23.204 1.00 89.17 35 A 1 ATOM 277 O O . TYR A 0 35 . -31.007 -9.349 24.226 1.00 89.17 35 A 1 ATOM 278 C CG . TYR A 0 35 . -33.318 -12.064 21.811 1.00 89.17 35 A 1 ATOM 279 C CD1 . TYR A 0 35 . -32.969 -11.281 20.696 1.00 89.17 35 A 1 ATOM 280 C CD2 . TYR A 0 35 . -33.874 -13.343 21.618 1.00 89.17 35 A 1 ATOM 281 C CE1 . TYR A 0 35 . -33.148 -11.770 19.389 1.00 89.17 35 A 1 ATOM 282 C CE2 . TYR A 0 35 . -34.070 -13.835 20.312 1.00 89.17 35 A 1 ATOM 283 O OH . TYR A 0 35 . -33.894 -13.528 17.938 1.00 89.17 35 A 1 ATOM 284 C CZ . TYR A 0 35 . -33.703 -13.053 19.197 1.00 89.17 35 A 1 ATOM 285 N N . ASP A 0 36 . -31.385 -10.707 25.983 1.00 88.37 36 A 1 ATOM 286 C CA . ASP A 0 36 . -31.031 -9.773 27.058 1.00 88.37 36 A 1 ATOM 287 C C . ASP A 0 36 . -29.556 -9.324 27.028 1.00 88.37 36 A 1 ATOM 288 C CB . ASP A 0 36 . -31.343 -10.439 28.411 1.00 88.37 36 A 1 ATOM 289 O O . ASP A 0 36 . -29.211 -8.301 27.616 1.00 88.37 36 A 1 ATOM 290 C CG . ASP A 0 36 . -32.820 -10.807 28.610 1.00 88.37 36 A 1 ATOM 291 O OD1 . ASP A 0 36 . -33.680 -10.261 27.881 1.00 88.37 36 A 1 ATOM 292 O OD2 . ASP A 0 36 . -33.077 -11.672 29.474 1.00 88.37 36 A 1 ATOM 293 N N . GLU A 0 37 . -28.678 -10.057 26.333 1.00 89.13 37 A 1 ATOM 294 C CA . GLU A 0 37 . -27.259 -9.711 26.170 1.00 89.13 37 A 1 ATOM 295 C C . GLU A 0 37 . -27.002 -8.747 25.001 1.00 89.13 37 A 1 ATOM 296 C CB . GLU A 0 37 . -26.419 -10.983 25.974 1.00 89.13 37 A 1 ATOM 297 O O . GLU A 0 37 . -25.888 -8.236 24.843 1.00 89.13 37 A 1 ATOM 298 C CG . GLU A 0 37 . -26.488 -11.953 27.164 1.00 89.13 37 A 1 ATOM 299 C CD . GLU A 0 37 . -25.600 -13.195 26.979 1.00 89.13 37 A 1 ATOM 300 O OE1 . GLU A 0 37 . -25.770 -14.146 27.775 1.00 89.13 37 A 1 ATOM 301 O OE2 . GLU A 0 37 . -24.769 -13.226 26.041 1.00 89.13 37 A 1 ATOM 302 N N . LEU A 0 38 . -28.008 -8.488 24.157 1.00 90.45 38 A 1 ATOM 303 C CA . LEU A 0 38 . -27.855 -7.539 23.063 1.00 90.45 38 A 1 ATOM 304 C C . LEU A 0 38 . -27.674 -6.125 23.615 1.00 90.45 38 A 1 ATOM 305 C CB . LEU A 0 38 . -29.037 -7.606 22.084 1.00 90.45 38 A 1 ATOM 306 O O . LEU A 0 38 . -28.382 -5.673 24.514 1.00 90.45 38 A 1 ATOM 307 C CG . LEU A 0 38 . -29.179 -8.937 21.326 1.00 90.45 38 A 1 ATOM 308 C CD1 . LEU A 0 38 . -30.360 -8.819 20.365 1.00 90.45 38 A 1 ATOM 309 C CD2 . LEU A 0 38 . -27.944 -9.287 20.489 1.00 90.45 38 A 1 ATOM 310 N N . GLN A 0 39 . -26.736 -5.390 23.024 1.00 88.46 39 A 1 ATOM 311 C CA . GLN A 0 39 . -26.550 -3.984 23.352 1.00 88.46 39 A 1 ATOM 312 C C . GLN A 0 39 . -27.817 -3.209 22.989 1.00 88.46 39 A 1 ATOM 313 C CB . GLN A 0 39 . -25.327 -3.423 22.619 1.00 88.46 39 A 1 ATOM 314 O O . GLN A 0 39 . -28.234 -3.178 21.830 1.00 88.46 39 A 1 ATOM 315 C CG . GLN A 0 39 . -24.028 -4.071 23.115 1.00 88.46 39 A 1 ATOM 316 C CD . GLN A 0 39 . -22.794 -3.520 22.409 1.00 88.46 39 A 1 ATOM 317 N NE2 . GLN A 0 39 . -21.651 -3.534 23.057 1.00 88.46 39 A 1 ATOM 318 O OE1 . GLN A 0 39 . -22.815 -3.078 21.272 1.00 88.46 39 A 1 ATOM 319 N N . ILE A 0 40 . -28.415 -2.559 23.984 1.00 90.49 40 A 1 ATOM 320 C CA . ILE A 0 40 . -29.537 -1.653 23.760 1.00 90.49 40 A 1 ATOM 321 C C . ILE A 0 40 . -29.003 -0.473 22.935 1.00 90.49 40 A 1 ATOM 322 C CB . ILE A 0 40 . -30.165 -1.204 25.096 1.00 90.49 40 A 1 ATOM 323 O O . ILE A 0 40 . -28.021 0.150 23.353 1.00 90.49 40 A 1 ATOM 324 C CG1 . ILE A 0 40 . -30.654 -2.433 25.900 1.00 90.49 40 A 1 ATOM 325 C CG2 . ILE A 0 40 . -31.327 -0.223 24.839 1.00 90.49 40 A 1 ATOM 326 C CD1 . ILE A 0 40 . -31.098 -2.104 27.329 1.00 90.49 40 A 1 ATOM 327 N N . PRO A 0 41 . -29.599 -0.146 21.776 1.00 90.04 41 A 1 ATOM 328 C CA . PRO A 0 41 . -29.155 0.991 20.985 1.00 90.04 41 A 1 ATOM 329 C C . PRO A 0 41 . -29.346 2.276 21.796 1.00 90.04 41 A 1 ATOM 330 C CB . PRO A 0 41 . -29.993 0.957 19.705 1.00 90.04 41 A 1 ATOM 331 O O . PRO A 0 41 . -30.444 2.578 22.261 1.00 90.04 41 A 1 ATOM 332 C CG . PRO A 0 41 . -31.267 0.226 20.130 1.00 90.04 41 A 1 ATOM 333 C CD . PRO A 0 41 . -30.767 -0.770 21.173 1.00 90.04 41 A 1 ATOM 334 N N . GLN A 0 42 . -28.265 3.031 21.975 1.00 91.54 42 A 1 ATOM 335 C CA . GLN A 0 42 . -28.263 4.292 22.710 1.00 91.54 42 A 1 ATOM 336 C C . GLN A 0 42 . -27.726 5.417 21.821 1.00 91.54 42 A 1 ATOM 337 C CB . GLN A 0 42 . -27.451 4.155 24.009 1.00 91.54 42 A 1 ATOM 338 O O . GLN A 0 42 . -26.789 5.222 21.047 1.00 91.54 42 A 1 ATOM 339 C CG . GLN A 0 42 . -28.124 3.228 25.037 1.00 91.54 42 A 1 ATOM 340 C CD . GLN A 0 42 . -27.304 3.043 26.311 1.00 91.54 42 A 1 ATOM 341 N NE2 . GLN A 0 42 . -27.664 2.098 27.152 1.00 91.54 42 A 1 ATOM 342 O OE1 . GLN A 0 42 . -26.347 3.746 26.590 1.00 91.54 42 A 1 ATOM 343 N N . GLY A 0 43 . -28.311 6.608 21.960 1.00 93.49 43 A 1 ATOM 344 C CA . GLY A 0 43 . -27.892 7.815 21.244 1.00 93.49 43 A 1 ATOM 345 C C . GLY A 0 43 . -28.476 7.973 19.834 1.00 93.49 43 A 1 ATOM 346 O O . GLY A 0 43 . -29.202 7.124 19.318 1.00 93.49 43 A 1 ATOM 347 N N . SER A 0 44 . -28.172 9.114 19.206 1.00 95.94 44 A 1 ATOM 348 C CA . SER A 0 44 . -28.595 9.413 17.834 1.00 95.94 44 A 1 ATOM 349 C C . SER A 0 44 . -27.684 8.713 16.828 1.00 95.94 44 A 1 ATOM 350 C CB . SER A 0 44 . -28.597 10.925 17.591 1.00 95.94 44 A 1 ATOM 351 O O . SER A 0 44 . -26.500 9.041 16.716 1.00 95.94 44 A 1 ATOM 352 O OG . SER A 0 44 . -28.975 11.223 16.255 1.00 95.94 44 A 1 ATOM 353 N N . TRP A 0 45 . -28.250 7.801 16.032 1.00 94.62 45 A 1 ATOM 354 C CA . TRP A 0 45 . -27.532 7.123 14.945 1.00 94.62 45 A 1 ATOM 355 C C . TRP A 0 45 . -26.823 8.112 14.007 1.00 94.62 45 A 1 ATOM 356 C CB . TRP A 0 45 . -28.525 6.268 14.145 1.00 94.62 45 A 1 ATOM 357 O O . TRP A 0 45 . -25.674 7.898 13.624 1.00 94.62 45 A 1 ATOM 358 C CG . TRP A 0 45 . -27.956 5.685 12.888 1.00 94.62 45 A 1 ATOM 359 C CD1 . TRP A 0 45 . -27.276 4.520 12.801 1.00 94.62 45 A 1 ATOM 360 C CD2 . TRP A 0 45 . -27.956 6.249 11.537 1.00 94.62 45 A 1 ATOM 361 C CE2 . TRP A 0 45 . -27.228 5.369 10.683 1.00 94.62 45 A 1 ATOM 362 C CE3 . TRP A 0 45 . -28.491 7.418 10.950 1.00 94.62 45 A 1 ATOM 363 N NE1 . TRP A 0 45 . -26.855 4.324 11.501 1.00 94.62 45 A 1 ATOM 364 C CH2 . TRP A 0 45 . -27.562 6.814 8.771 1.00 94.62 45 A 1 ATOM 365 C CZ2 . TRP A 0 45 . -27.025 5.638 9.322 1.00 94.62 45 A 1 ATOM 366 C CZ3 . TRP A 0 45 . -28.294 7.699 9.583 1.00 94.62 45 A 1 ATOM 367 N N . SER A 0 46 . -27.487 9.224 13.675 1.00 97.46 46 A 1 ATOM 368 C CA . SER A 0 46 . -26.962 10.231 12.744 1.00 97.46 46 A 1 ATOM 369 C C . SER A 0 46 . -25.681 10.888 13.263 1.00 97.46 46 A 1 ATOM 370 C CB . SER A 0 46 . -28.041 11.292 12.506 1.00 97.46 46 A 1 ATOM 371 O O . SER A 0 46 . -24.755 11.146 12.494 1.00 97.46 46 A 1 ATOM 372 O OG . SER A 0 46 . -27.652 12.251 11.535 1.00 97.46 46 A 1 ATOM 373 N N . GLU A 0 47 . -25.600 11.136 14.571 1.00 97.37 47 A 1 ATOM 374 C CA . GLU A 0 47 . -24.420 11.738 15.187 1.00 97.37 47 A 1 ATOM 375 C C . GLU A 0 47 . -23.235 10.769 15.180 1.00 97.37 47 A 1 ATOM 376 C CB . GLU A 0 47 . -24.770 12.203 16.603 1.00 97.37 47 A 1 ATOM 377 O O . GLU A 0 47 . -22.164 11.113 14.674 1.00 97.37 47 A 1 ATOM 378 C CG . GLU A 0 47 . -23.609 13.008 17.194 1.00 97.37 47 A 1 ATOM 379 C CD . GLU A 0 47 . -23.878 13.511 18.613 1.00 97.37 47 A 1 ATOM 380 O OE1 . GLU A 0 47 . -22.896 14.034 19.186 1.00 97.37 47 A 1 ATOM 381 O OE2 . GLU A 0 47 . -25.033 13.388 19.079 1.00 97.37 47 A 1 ATOM 382 N N . LEU A 0 48 . -23.447 9.539 15.653 1.00 96.30 48 A 1 ATOM 383 C CA . LEU A 0 48 . -22.424 8.491 15.673 1.00 96.30 48 A 1 ATOM 384 C C . LEU A 0 48 . -21.921 8.180 14.256 1.00 96.30 48 A 1 ATOM 385 C CB . LEU A 0 48 . -23.027 7.276 16.397 1.00 96.30 48 A 1 ATOM 386 O O . LEU A 0 48 . -20.715 8.096 14.020 1.00 96.30 48 A 1 ATOM 387 C CG . LEU A 0 48 . -22.077 6.072 16.552 1.00 96.30 48 A 1 ATOM 388 C CD1 . LEU A 0 48 . -22.479 5.259 17.782 1.00 96.30 48 A 1 ATOM 389 C CD2 . LEU A 0 48 . -22.148 5.132 15.343 1.00 96.30 48 A 1 ATOM 390 N N . HIS A 0 49 . -22.826 8.101 13.280 1.00 97.02 49 A 1 ATOM 391 C CA . HIS A 0 49 . -22.462 7.871 11.886 1.00 97.02 49 A 1 ATOM 392 C C . HIS A 0 49 . -21.585 9.001 11.322 1.00 97.02 49 A 1 ATOM 393 C CB . HIS A 0 49 . -23.737 7.672 11.058 1.00 97.02 49 A 1 ATOM 394 O O . HIS A 0 49 . -20.562 8.739 10.684 1.00 97.02 49 A 1 ATOM 395 C CG . HIS A 0 49 . -23.431 7.225 9.655 1.00 97.02 49 A 1 ATOM 396 C CD2 . HIS A 0 49 . -23.680 7.909 8.498 1.00 97.02 49 A 1 ATOM 397 N ND1 . HIS A 0 49 . -22.808 6.050 9.305 1.00 97.02 49 A 1 ATOM 398 C CE1 . HIS A 0 49 . -22.677 6.027 7.970 1.00 97.02 49 A 1 ATOM 399 N NE2 . HIS A 0 49 . -23.186 7.148 7.433 1.00 97.02 49 A 1 ATOM 400 N N . LYS A 0 50 . -21.918 10.269 11.607 1.00 98.09 50 A 1 ATOM 401 C CA . LYS A 0 50 . -21.081 11.420 11.220 1.00 98.09 50 A 1 ATOM 402 C C . LYS A 0 50 . -19.705 11.383 11.885 1.00 98.09 50 A 1 ATOM 403 C CB . LYS A 0 50 . -21.793 12.734 11.567 1.00 98.09 50 A 1 ATOM 404 O O . LYS A 0 50 . -18.710 11.693 11.228 1.00 98.09 50 A 1 ATOM 405 C CG . LYS A 0 50 . -22.932 13.062 10.593 1.00 98.09 50 A 1 ATOM 406 C CD . LYS A 0 50 . -23.702 14.291 11.091 1.00 98.09 50 A 1 ATOM 407 C CE . LYS A 0 50 . -24.912 14.556 10.192 1.00 98.09 50 A 1 ATOM 408 N NZ . LYS A 0 50 . -25.699 15.718 10.674 1.00 98.09 50 A 1 ATOM 409 N N . GLN A 0 51 . -19.629 11.001 13.160 1.00 97.65 51 A 1 ATOM 410 C CA . GLN A 0 51 . -18.360 10.860 13.880 1.00 97.65 51 A 1 ATOM 411 C C . GLN A 0 51 . -17.472 9.775 13.249 1.00 97.65 51 A 1 ATOM 412 C CB . GLN A 0 51 . -18.626 10.547 15.360 1.00 97.65 51 A 1 ATOM 413 O O . GLN A 0 51 . -16.295 10.029 12.979 1.00 97.65 51 A 1 ATOM 414 C CG . GLN A 0 51 . -19.229 11.719 16.158 1.00 97.65 51 A 1 ATOM 415 C CD . GLN A 0 51 . -19.580 11.315 17.592 1.00 97.65 51 A 1 ATOM 416 N NE2 . GLN A 0 51 . -20.195 12.172 18.378 1.00 97.65 51 A 1 ATOM 417 O OE1 . GLN A 0 51 . -19.275 10.225 18.041 1.00 97.65 51 A 1 ATOM 418 N N . HIS A 0 52 . -18.039 8.607 12.934 1.00 97.38 52 A 1 ATOM 419 C CA . HIS A 0 52 . -17.323 7.518 12.264 1.00 97.38 52 A 1 ATOM 420 C C . HIS A 0 52 . -16.849 7.918 10.866 1.00 97.38 52 A 1 ATOM 421 C CB . HIS A 0 52 . -18.219 6.277 12.196 1.00 97.38 52 A 1 ATOM 422 O O . HIS A 0 52 . -15.669 7.771 10.553 1.00 97.38 52 A 1 ATOM 423 C CG . HIS A 0 52 . -18.440 5.587 13.518 1.00 97.38 52 A 1 ATOM 424 C CD2 . HIS A 0 52 . -17.948 5.945 14.748 1.00 97.38 52 A 1 ATOM 425 N ND1 . HIS A 0 52 . -19.134 4.413 13.693 1.00 97.38 52 A 1 ATOM 426 C CE1 . HIS A 0 52 . -19.052 4.068 14.989 1.00 97.38 52 A 1 ATOM 427 N NE2 . HIS A 0 52 . -18.339 4.974 15.669 1.00 97.38 52 A 1 ATOM 428 N N . ASN A 0 53 . -17.715 8.523 10.051 1.00 97.79 53 A 1 ATOM 429 C CA . ASN A 0 53 . -17.326 8.988 8.719 1.00 97.79 53 A 1 ATOM 430 C C . ASN A 0 53 . -16.235 10.064 8.782 1.00 97.79 53 A 1 ATOM 431 C CB . ASN A 0 53 . -18.564 9.494 7.967 1.00 97.79 53 A 1 ATOM 432 O O . ASN A 0 53 . -15.331 10.069 7.953 1.00 97.79 53 A 1 ATOM 433 C CG . ASN A 0 53 . -19.481 8.371 7.518 1.00 97.79 53 A 1 ATOM 434 N ND2 . ASN A 0 53 . -20.671 8.713 7.087 1.00 97.79 53 A 1 ATOM 435 O OD1 . ASN A 0 53 . -19.140 7.201 7.536 1.00 97.79 53 A 1 ATOM 436 N N . LYS A 0 54 . -16.249 10.947 9.790 1.00 98.23 54 A 1 ATOM 437 C CA . LYS A 0 54 . -15.160 11.910 10.012 1.00 98.23 54 A 1 ATOM 438 C C . LYS A 0 54 . -13.829 11.203 10.283 1.00 98.23 54 A 1 ATOM 439 C CB . LYS A 0 54 . -15.551 12.863 11.152 1.00 98.23 54 A 1 ATOM 440 O O . LYS A 0 54 . -12.796 11.670 9.806 1.00 98.23 54 A 1 ATOM 441 C CG . LYS A 0 54 . -14.523 13.981 11.391 1.00 98.23 54 A 1 ATOM 442 C CD . LYS A 0 54 . -15.001 14.895 12.527 1.00 98.23 54 A 1 ATOM 443 C CE . LYS A 0 54 . -14.024 16.052 12.774 1.00 98.23 54 A 1 ATOM 444 N NZ . LYS A 0 54 . -14.515 16.952 13.852 1.00 98.23 54 A 1 ATOM 445 N N . LEU A 0 55 . -13.834 10.101 11.034 1.00 98.14 55 A 1 ATOM 446 C CA . LEU A 0 55 . -12.641 9.292 11.284 1.00 98.14 55 A 1 ATOM 447 C C . LEU A 0 55 . -12.171 8.577 10.008 1.00 98.14 55 A 1 ATOM 448 C CB . LEU A 0 55 . -12.932 8.308 12.433 1.00 98.14 55 A 1 ATOM 449 O O . LEU A 0 55 . -10.997 8.671 9.654 1.00 98.14 55 A 1 ATOM 450 C CG . LEU A 0 55 . -11.725 7.448 12.841 1.00 98.14 55 A 1 ATOM 451 C CD1 . LEU A 0 55 . -10.596 8.297 13.434 1.00 98.14 55 A 1 ATOM 452 C CD2 . LEU A 0 55 . -12.155 6.410 13.874 1.00 98.14 55 A 1 ATOM 453 N N . TYR A 0 56 . -13.080 7.926 9.282 1.00 98.26 56 A 1 ATOM 454 C CA . TYR A 0 56 . -12.751 7.221 8.042 1.00 98.26 56 A 1 ATOM 455 C C . TYR A 0 56 . -12.252 8.161 6.948 1.00 98.26 56 A 1 ATOM 456 C CB . TYR A 0 56 . -13.961 6.414 7.564 1.00 98.26 56 A 1 ATOM 457 O O . TYR A 0 56 . -11.253 7.857 6.307 1.00 98.26 56 A 1 ATOM 458 C CG . TYR A 0 56 . -14.462 5.358 8.534 1.00 98.26 56 A 1 ATOM 459 C CD1 . TYR A 0 56 . -13.569 4.657 9.376 1.00 98.26 56 A 1 ATOM 460 C CD2 . TYR A 0 56 . -15.836 5.051 8.566 1.00 98.26 56 A 1 ATOM 461 C CE1 . TYR A 0 56 . -14.049 3.673 10.259 1.00 98.26 56 A 1 ATOM 462 C CE2 . TYR A 0 56 . -16.316 4.059 9.439 1.00 98.26 56 A 1 ATOM 463 O OH . TYR A 0 56 . -15.899 2.416 11.128 1.00 98.26 56 A 1 ATOM 464 C CZ . TYR A 0 56 . -15.426 3.371 10.288 1.00 98.26 56 A 1 ATOM 465 N N . ASN A 0 57 . -12.848 9.345 6.799 1.00 98.30 57 A 1 ATOM 466 C CA . ASN A 0 57 . -12.380 10.347 5.844 1.00 98.30 57 A 1 ATOM 467 C C . ASN A 0 57 . -10.957 10.824 6.166 1.00 98.30 57 A 1 ATOM 468 C CB . ASN A 0 57 . -13.370 11.523 5.804 1.00 98.30 57 A 1 ATOM 469 O O . ASN A 0 57 . -10.171 11.038 5.248 1.00 98.30 57 A 1 ATOM 470 C CG . ASN A 0 57 . -14.670 11.179 5.096 1.00 98.30 57 A 1 ATOM 471 N ND2 . ASN A 0 57 . -15.662 12.035 5.177 1.00 98.30 57 A 1 ATOM 472 O OD1 . ASN A 0 57 . -14.813 10.170 4.434 1.00 98.30 57 A 1 ATOM 473 N N . LYS A 0 58 . -10.583 10.943 7.451 1.00 98.24 58 A 1 ATOM 474 C CA . LYS A 0 58 . -9.192 11.247 7.833 1.00 98.24 58 A 1 ATOM 475 C C . LYS A 0 58 . -8.239 10.143 7.385 1.00 98.24 58 A 1 ATOM 476 C CB . LYS A 0 58 . -9.053 11.447 9.345 1.00 98.24 58 A 1 ATOM 477 O O . LYS A 0 58 . -7.224 10.447 6.765 1.00 98.24 58 A 1 ATOM 478 C CG . LYS A 0 58 . -9.631 12.772 9.849 1.00 98.24 58 A 1 ATOM 479 C CD . LYS A 0 58 . -9.549 12.768 11.379 1.00 98.24 58 A 1 ATOM 480 C CE . LYS A 0 58 . -10.069 14.075 11.973 1.00 98.24 58 A 1 ATOM 481 N NZ . LYS A 0 58 . -9.797 14.111 13.432 1.00 98.24 58 A 1 ATOM 482 N N . PHE A 0 59 . -8.566 8.881 7.673 1.00 98.11 59 A 1 ATOM 483 C CA . PHE A 0 59 . -7.753 7.746 7.229 1.00 98.11 59 A 1 ATOM 484 C C . PHE A 0 59 . -7.656 7.681 5.706 1.00 98.11 59 A 1 ATOM 485 C CB . PHE A 0 59 . -8.319 6.433 7.781 1.00 98.11 59 A 1 ATOM 486 O O . PHE A 0 59 . -6.561 7.514 5.175 1.00 98.11 59 A 1 ATOM 487 C CG . PHE A 0 59 . -7.970 6.184 9.231 1.00 98.11 59 A 1 ATOM 488 C CD1 . PHE A 0 59 . -6.624 5.983 9.593 1.00 98.11 59 A 1 ATOM 489 C CD2 . PHE A 0 59 . -8.976 6.112 10.211 1.00 98.11 59 A 1 ATOM 490 C CE1 . PHE A 0 59 . -6.284 5.726 10.932 1.00 98.11 59 A 1 ATOM 491 C CE2 . PHE A 0 59 . -8.634 5.839 11.547 1.00 98.11 59 A 1 ATOM 492 C CZ . PHE A 0 59 . -7.290 5.654 11.909 1.00 98.11 59 A 1 ATOM 493 N N . PHE A 0 60 . -8.772 7.888 5.009 1.00 98.13 60 A 1 ATOM 494 C CA . PHE A 0 60 . -8.819 7.918 3.555 1.00 98.13 60 A 1 ATOM 495 C C . PHE A 0 60 . -7.897 9.002 2.994 1.00 98.13 60 A 1 ATOM 496 C CB . PHE A 0 60 . -10.262 8.109 3.084 1.00 98.13 60 A 1 ATOM 497 O O . PHE A 0 60 . -7.019 8.677 2.203 1.00 98.13 60 A 1 ATOM 498 C CG . PHE A 0 60 . -10.375 8.135 1.575 1.00 98.13 60 A 1 ATOM 499 C CD1 . PHE A 0 60 . -10.574 9.353 0.897 1.00 98.13 60 A 1 ATOM 500 C CD2 . PHE A 0 60 . -10.234 6.941 0.845 1.00 98.13 60 A 1 ATOM 501 C CE1 . PHE A 0 60 . -10.643 9.372 -0.507 1.00 98.13 60 A 1 ATOM 502 C CE2 . PHE A 0 60 . -10.303 6.961 -0.558 1.00 98.13 60 A 1 ATOM 503 C CZ . PHE A 0 60 . -10.509 8.176 -1.234 1.00 98.13 60 A 1 ATOM 504 N N . ILE A 0 61 . -8.006 10.249 3.467 1.00 98.44 61 A 1 ATOM 505 C CA . ILE A 0 61 . -7.140 11.356 3.031 1.00 98.44 61 A 1 ATOM 506 C C . ILE A 0 61 . -5.664 11.020 3.263 1.00 98.44 61 A 1 ATOM 507 C CB . ILE A 0 61 . -7.548 12.675 3.730 1.00 98.44 61 A 1 ATOM 508 O O . ILE A 0 61 . -4.862 11.175 2.349 1.00 98.44 61 A 1 ATOM 509 C CG1 . ILE A 0 61 . -8.916 13.161 3.197 1.00 98.44 61 A 1 ATOM 510 C CG2 . ILE A 0 61 . -6.493 13.782 3.521 1.00 98.44 61 A 1 ATOM 511 C CD1 . ILE A 0 61 . -9.576 14.227 4.082 1.00 98.44 61 A 1 ATOM 512 N N . VAL A 0 62 . -5.300 10.516 4.447 1.00 98.53 62 A 1 ATOM 513 C CA . VAL A 0 62 . -3.907 10.144 4.759 1.00 98.53 62 A 1 ATOM 514 C C . VAL A 0 62 . -3.409 9.010 3.856 1.00 98.53 62 A 1 ATOM 515 C CB . VAL A 0 62 . -3.763 9.777 6.249 1.00 98.53 62 A 1 ATOM 516 O O . VAL A 0 62 . -2.303 9.076 3.330 1.00 98.53 62 A 1 ATOM 517 C CG1 . VAL A 0 62 . -2.373 9.220 6.586 1.00 98.53 62 A 1 ATOM 518 C CG2 . VAL A 0 62 . -3.979 11.010 7.138 1.00 98.53 62 A 1 ATOM 519 N N . SER A 0 63 . -4.212 7.969 3.636 1.00 98.14 63 A 1 ATOM 520 C CA . SER A 0 63 . -3.827 6.866 2.747 1.00 98.14 63 A 1 ATOM 521 C C . SER A 0 63 . -3.732 7.301 1.282 1.00 98.14 63 A 1 ATOM 522 C CB . SER A 0 63 . -4.790 5.688 2.903 1.00 98.14 63 A 1 ATOM 523 O O . SER A 0 63 . -2.803 6.900 0.586 1.00 98.14 63 A 1 ATOM 524 O OG . SER A 0 63 . -6.097 6.004 2.468 1.00 98.14 63 A 1 ATOM 525 N N . ALA A 0 64 . -4.640 8.165 0.821 1.00 98.61 64 A 1 ATOM 526 C CA . ALA A 0 64 . -4.676 8.661 -0.546 1.00 98.61 64 A 1 ATOM 527 C C . ALA A 0 64 . -3.489 9.586 -0.837 1.00 98.61 64 A 1 ATOM 528 C CB . ALA A 0 64 . -6.016 9.370 -0.776 1.00 98.61 64 A 1 ATOM 529 O O . ALA A 0 64 . -2.900 9.495 -1.914 1.00 98.61 64 A 1 ATOM 530 N N . THR A 0 65 . -3.086 10.435 0.115 1.00 98.50 65 A 1 ATOM 531 C CA . THR A 0 65 . -1.896 11.286 -0.037 1.00 98.50 65 A 1 ATOM 532 C C . THR A 0 65 . -0.625 10.446 -0.116 1.00 98.50 65 A 1 ATOM 533 C CB . THR A 0 65 . -1.762 12.321 1.090 1.00 98.50 65 A 1 ATOM 534 O O . THR A 0 65 . 0.187 10.671 -1.013 1.00 98.50 65 A 1 ATOM 535 C CG2 . THR A 0 65 . -2.886 13.359 1.085 1.00 98.50 65 A 1 ATOM 536 O OG1 . THR A 0 65 . -1.741 11.706 2.350 1.00 98.50 65 A 1 ATOM 537 N N . ILE A 0 66 . -0.479 9.432 0.746 1.00 98.38 66 A 1 ATOM 538 C CA . ILE A 0 66 . 0.652 8.492 0.705 1.00 98.38 66 A 1 ATOM 539 C C . ILE A 0 66 . 0.666 7.713 -0.616 1.00 98.38 66 A 1 ATOM 540 C CB . ILE A 0 66 . 0.623 7.545 1.928 1.00 98.38 66 A 1 ATOM 541 O O . ILE A 0 66 . 1.707 7.643 -1.268 1.00 98.38 66 A 1 ATOM 542 C CG1 . ILE A 0 66 . 0.881 8.338 3.231 1.00 98.38 66 A 1 ATOM 543 C CG2 . ILE A 0 66 . 1.675 6.425 1.786 1.00 98.38 66 A 1 ATOM 544 C CD1 . ILE A 0 66 . 0.575 7.544 4.508 1.00 98.38 66 A 1 ATOM 545 N N . ALA A 0 67 . -0.473 7.162 -1.042 1.00 98.34 67 A 1 ATOM 546 C CA . ALA A 0 67 . -0.580 6.408 -2.289 1.00 98.34 67 A 1 ATOM 547 C C . ALA A 0 67 . -0.246 7.275 -3.512 1.00 98.34 67 A 1 ATOM 548 C CB . ALA A 0 67 . -1.991 5.817 -2.390 1.00 98.34 67 A 1 ATOM 549 O O . ALA A 0 67 . 0.501 6.839 -4.385 1.00 98.34 67 A 1 ATOM 550 N N . THR A 0 68 . -0.729 8.521 -3.548 1.00 98.49 68 A 1 ATOM 551 C CA . THR A 0 68 . -0.437 9.472 -4.633 1.00 98.49 68 A 1 ATOM 552 C C . THR A 0 68 . 1.042 9.853 -4.656 1.00 98.49 68 A 1 ATOM 553 C CB . THR A 0 68 . -1.293 10.743 -4.511 1.00 98.49 68 A 1 ATOM 554 O O . THR A 0 68 . 1.650 9.880 -5.724 1.00 98.49 68 A 1 ATOM 555 C CG2 . THR A 0 68 . -1.150 11.660 -5.726 1.00 98.49 68 A 1 ATOM 556 O OG1 . THR A 0 68 . -2.658 10.410 -4.429 1.00 98.49 68 A 1 ATOM 557 N N . ALA A 0 69 . 1.649 10.097 -3.491 1.00 98.13 69 A 1 ATOM 558 C CA . ALA A 0 69 . 3.075 10.394 -3.385 1.00 98.13 69 A 1 ATOM 559 C C . ALA A 0 69 . 3.941 9.208 -3.840 1.00 98.13 69 A 1 ATOM 560 C CB . ALA A 0 69 . 3.383 10.795 -1.937 1.00 98.13 69 A 1 ATOM 561 O O . ALA A 0 69 . 4.898 9.394 -4.592 1.00 98.13 69 A 1 ATOM 562 N N . LEU A 0 70 . 3.579 7.985 -3.437 1.00 97.76 70 A 1 ATOM 563 C CA . LEU A 0 70 . 4.270 6.767 -3.857 1.00 97.76 70 A 1 ATOM 564 C C . LEU A 0 70 . 4.122 6.528 -5.361 1.00 97.76 70 A 1 ATOM 565 C CB . LEU A 0 70 . 3.736 5.575 -3.045 1.00 97.76 70 A 1 ATOM 566 O O . LEU A 0 70 . 5.102 6.203 -6.022 1.00 97.76 70 A 1 ATOM 567 C CG . LEU A 0 70 . 4.426 4.237 -3.379 1.00 97.76 70 A 1 ATOM 568 C CD1 . LEU A 0 70 . 5.928 4.268 -3.084 1.00 97.76 70 A 1 ATOM 569 C CD2 . LEU A 0 70 . 3.798 3.119 -2.548 1.00 97.76 70 A 1 ATOM 570 N N . PHE A 0 71 . 2.923 6.725 -5.909 1.00 96.80 71 A 1 ATOM 571 C CA . PHE A 0 71 . 2.673 6.625 -7.343 1.00 96.80 71 A 1 ATOM 572 C C . PHE A 0 71 . 3.508 7.649 -8.117 1.00 96.80 71 A 1 ATOM 573 C CB . PHE A 0 71 . 1.174 6.797 -7.593 1.00 96.80 71 A 1 ATOM 574 O O . PHE A 0 71 . 4.210 7.275 -9.048 1.00 96.80 71 A 1 ATOM 575 C CG . PHE A 0 71 . 0.725 6.527 -9.013 1.00 96.80 71 A 1 ATOM 576 C CD1 . PHE A 0 71 . 0.555 7.591 -9.920 1.00 96.80 71 A 1 ATOM 577 C CD2 . PHE A 0 71 . 0.391 5.216 -9.400 1.00 96.80 71 A 1 ATOM 578 C CE1 . PHE A 0 71 . -0.001 7.351 -11.188 1.00 96.80 71 A 1 ATOM 579 C CE2 . PHE A 0 71 . -0.185 4.979 -10.659 1.00 96.80 71 A 1 ATOM 580 C CZ . PHE A 0 71 . -0.402 6.051 -11.544 1.00 96.80 71 A 1 ATOM 581 N N . ALA A 0 72 . 3.535 8.915 -7.693 1.00 95.85 72 A 1 ATOM 582 C CA . ALA A 0 72 . 4.371 9.942 -8.316 1.00 95.85 72 A 1 ATOM 583 C C . ALA A 0 72 . 5.869 9.583 -8.275 1.00 95.85 72 A 1 ATOM 584 C CB . ALA A 0 72 . 4.091 11.280 -7.623 1.00 95.85 72 A 1 ATOM 585 O O . ALA A 0 72 . 6.558 9.688 -9.290 1.00 95.85 72 A 1 ATOM 586 N N . ALA A 0 73 . 6.365 9.095 -7.133 1.00 95.80 73 A 1 ATOM 587 C CA . ALA A 0 73 . 7.742 8.624 -7.001 1.00 95.80 73 A 1 ATOM 588 C C . ALA A 0 73 . 8.026 7.414 -7.909 1.00 95.80 73 A 1 ATOM 589 C CB . ALA A 0 73 . 8.011 8.300 -5.527 1.00 95.80 73 A 1 ATOM 590 O O . ALA A 0 73 . 9.059 7.370 -8.574 1.00 95.80 73 A 1 ATOM 591 N N . ALA A 0 74 . 7.098 6.459 -7.990 1.00 95.12 74 A 1 ATOM 592 C CA . ALA A 0 74 . 7.213 5.302 -8.869 1.00 95.12 74 A 1 ATOM 593 C C . ALA A 0 74 . 7.238 5.717 -10.345 1.00 95.12 74 A 1 ATOM 594 C CB . ALA A 0 74 . 6.070 4.325 -8.571 1.00 95.12 74 A 1 ATOM 595 O O . ALA A 0 74 . 8.074 5.219 -11.090 1.00 95.12 74 A 1 ATOM 596 N N . PHE A 0 75 . 6.394 6.662 -10.770 1.00 92.34 75 A 1 ATOM 597 C CA . PHE A 0 75 . 6.407 7.206 -12.134 1.00 92.34 75 A 1 ATOM 598 C C . PHE A 0 75 . 7.720 7.917 -12.468 1.00 92.34 75 A 1 ATOM 599 C CB . PHE A 0 75 . 5.214 8.152 -12.343 1.00 92.34 75 A 1 ATOM 600 O O . PHE A 0 75 . 8.210 7.782 -13.586 1.00 92.34 75 A 1 ATOM 601 C CG . PHE A 0 75 . 4.014 7.430 -12.910 1.00 92.34 75 A 1 ATOM 602 C CD1 . PHE A 0 75 . 3.700 7.528 -14.278 1.00 92.34 75 A 1 ATOM 603 C CD2 . PHE A 0 75 . 3.286 6.546 -12.104 1.00 92.34 75 A 1 ATOM 604 C CE1 . PHE A 0 75 . 2.634 6.786 -14.819 1.00 92.34 75 A 1 ATOM 605 C CE2 . PHE A 0 75 . 2.286 5.749 -12.666 1.00 92.34 75 A 1 ATOM 606 C CZ . PHE A 0 75 . 1.915 5.899 -14.007 1.00 92.34 75 A 1 ATOM 607 N N . TYR A 0 76 . 8.308 8.627 -11.503 1.00 91.31 76 A 1 ATOM 608 C CA . TYR A 0 76 . 9.604 9.281 -11.679 1.00 91.31 76 A 1 ATOM 609 C C . TYR A 0 76 . 10.760 8.276 -11.800 1.00 91.31 76 A 1 ATOM 610 C CB . TYR A 0 76 . 9.824 10.252 -10.512 1.00 91.31 76 A 1 ATOM 611 O O . TYR A 0 76 . 11.654 8.463 -12.615 1.00 91.31 76 A 1 ATOM 612 C CG . TYR A 0 76 . 11.085 11.079 -10.651 1.00 91.31 76 A 1 ATOM 613 C CD1 . TYR A 0 76 . 12.274 10.673 -10.014 1.00 91.31 76 A 1 ATOM 614 C CD2 . TYR A 0 76 . 11.075 12.235 -11.455 1.00 91.31 76 A 1 ATOM 615 C CE1 . TYR A 0 76 . 13.455 11.422 -10.180 1.00 91.31 76 A 1 ATOM 616 C CE2 . TYR A 0 76 . 12.251 12.990 -11.619 1.00 91.31 76 A 1 ATOM 617 O OH . TYR A 0 76 . 14.578 13.308 -11.154 1.00 91.31 76 A 1 ATOM 618 C CZ . TYR A 0 76 . 13.443 12.582 -10.986 1.00 91.31 76 A 1 ATOM 619 N N . VAL A 0 77 . 10.744 7.198 -11.008 1.00 93.90 77 A 1 ATOM 620 C CA . VAL A 0 77 . 11.822 6.189 -10.984 1.00 93.90 77 A 1 ATOM 621 C C . VAL A 0 77 . 11.707 5.167 -12.116 1.00 93.90 77 A 1 ATOM 622 C CB . VAL A 0 77 . 11.846 5.479 -9.615 1.00 93.90 77 A 1 ATOM 623 O O . VAL A 0 77 . 12.720 4.692 -12.620 1.00 93.90 77 A 1 ATOM 624 C CG1 . VAL A 0 77 . 12.820 4.293 -9.553 1.00 93.90 77 A 1 ATOM 625 C CG2 . VAL A 0 77 . 12.266 6.455 -8.507 1.00 93.90 77 A 1 ATOM 626 N N . SER A 0 78 . 10.487 4.787 -12.498 1.00 89.54 78 A 1 ATOM 627 C CA . SER A 0 78 . 10.253 3.673 -13.427 1.00 89.54 78 A 1 ATOM 628 C C . SER A 0 78 . 10.611 3.978 -14.877 1.00 89.54 78 A 1 ATOM 629 C CB . SER A 0 78 . 8.819 3.141 -13.334 1.00 89.54 78 A 1 ATOM 630 O O . SER A 0 78 . 10.653 3.038 -15.669 1.00 89.54 78 A 1 ATOM 631 O OG . SER A 0 78 . 7.876 4.176 -13.496 1.00 89.54 78 A 1 ATOM 632 N N . ASP A 0 79 . 10.893 5.240 -15.233 1.00 85.01 79 A 1 ATOM 633 C CA . ASP A 0 79 . 11.373 5.613 -16.569 1.00 85.01 79 A 1 ATOM 634 C C . ASP A 0 79 . 10.510 4.958 -17.674 1.00 85.01 79 A 1 ATOM 635 C CB . ASP A 0 79 . 12.897 5.314 -16.666 1.00 85.01 79 A 1 ATOM 636 O O . ASP A 0 79 . 11.020 4.443 -18.667 1.00 85.01 79 A 1 ATOM 637 C CG . ASP A 0 79 . 13.838 6.515 -16.501 1.00 85.01 79 A 1 ATOM 638 O OD1 . ASP A 0 79 . 13.344 7.661 -16.442 1.00 85.01 79 A 1 ATOM 639 O OD2 . ASP A 0 79 . 15.073 6.265 -16.545 1.00 85.01 79 A 1 ATOM 640 N N . ILE A 0 80 . 9.177 4.937 -17.496 1.00 83.00 80 A 1 ATOM 641 C CA . ILE A 0 80 . 8.241 4.082 -18.268 1.00 83.00 80 A 1 ATOM 642 C C . ILE A 0 80 . 8.398 4.269 -19.788 1.00 83.00 80 A 1 ATOM 643 C CB . ILE A 0 80 . 6.770 4.342 -17.832 1.00 83.00 80 A 1 ATOM 644 O O . ILE A 0 80 . 8.168 3.354 -20.575 1.00 83.00 80 A 1 ATOM 645 C CG1 . ILE A 0 80 . 6.607 4.173 -16.305 1.00 83.00 80 A 1 ATOM 646 C CG2 . ILE A 0 80 . 5.781 3.423 -18.577 1.00 83.00 80 A 1 ATOM 647 C CD1 . ILE A 0 80 . 5.197 4.420 -15.753 1.00 83.00 80 A 1 ATOM 648 N N . ASN A 0 81 . 8.833 5.455 -20.218 1.00 84.60 81 A 1 ATOM 649 C CA . ASN A 0 81 . 9.026 5.794 -21.626 1.00 84.60 81 A 1 ATOM 650 C C . ASN A 0 81 . 10.445 5.540 -22.168 1.00 84.60 81 A 1 ATOM 651 C CB . ASN A 0 81 . 8.587 7.249 -21.835 1.00 84.60 81 A 1 ATOM 652 O O . ASN A 0 81 . 10.656 5.708 -23.367 1.00 84.60 81 A 1 ATOM 653 C CG . ASN A 0 81 . 7.093 7.416 -21.650 1.00 84.60 81 A 1 ATOM 654 N ND2 . ASN A 0 81 . 6.668 8.211 -20.695 1.00 84.60 81 A 1 ATOM 655 O OD1 . ASN A 0 81 . 6.290 6.858 -22.381 1.00 84.60 81 A 1 ATOM 656 N N . LYS A 0 82 . 11.417 5.145 -21.339 1.00 86.35 82 A 1 ATOM 657 C CA . LYS A 0 82 . 12.832 5.009 -21.726 1.00 86.35 82 A 1 ATOM 658 C C . LYS A 0 82 . 13.063 3.979 -22.826 1.00 86.35 82 A 1 ATOM 659 C CB . LYS A 0 82 . 13.634 4.668 -20.471 1.00 86.35 82 A 1 ATOM 660 O O . LYS A 0 82 . 13.895 4.198 -23.697 1.00 86.35 82 A 1 ATOM 661 C CG . LYS A 0 82 . 15.145 4.543 -20.711 1.00 86.35 82 A 1 ATOM 662 C CD . LYS A 0 82 . 15.808 4.419 -19.343 1.00 86.35 82 A 1 ATOM 663 C CE . LYS A 0 82 . 17.330 4.459 -19.395 1.00 86.35 82 A 1 ATOM 664 N NZ . LYS A 0 82 . 17.825 4.658 -18.013 1.00 86.35 82 A 1 ATOM 665 N N . TYR A 0 83 . 12.296 2.891 -22.811 1.00 85.97 83 A 1 ATOM 666 C CA . TYR A 0 83 . 12.351 1.836 -23.829 1.00 85.97 83 A 1 ATOM 667 C C . TYR A 0 83 . 11.130 1.850 -24.750 1.00 85.97 83 A 1 ATOM 668 C CB . TYR A 0 83 . 12.591 0.477 -23.164 1.00 85.97 83 A 1 ATOM 669 O O . TYR A 0 83 . 10.762 0.828 -25.329 1.00 85.97 83 A 1 ATOM 670 C CG . TYR A 0 83 . 13.809 0.462 -22.263 1.00 85.97 83 A 1 ATOM 671 C CD1 . TYR A 0 83 . 15.096 0.611 -22.816 1.00 85.97 83 A 1 ATOM 672 C CD2 . TYR A 0 83 . 13.650 0.331 -20.871 1.00 85.97 83 A 1 ATOM 673 C CE1 . TYR A 0 83 . 16.226 0.623 -21.977 1.00 85.97 83 A 1 ATOM 674 C CE2 . TYR A 0 83 . 14.777 0.330 -20.030 1.00 85.97 83 A 1 ATOM 675 O OH . TYR A 0 83 . 17.153 0.478 -19.769 1.00 85.97 83 A 1 ATOM 676 C CZ . TYR A 0 83 . 16.067 0.475 -20.584 1.00 85.97 83 A 1 ATOM 677 N N . ARG A 0 84 . 10.470 3.007 -24.887 1.00 88.61 84 A 1 ATOM 678 C CA . ARG A 0 84 . 9.355 3.146 -25.820 1.00 88.61 84 A 1 ATOM 679 C C . ARG A 0 84 . 9.899 3.092 -27.243 1.00 88.61 84 A 1 ATOM 680 C CB . ARG A 0 84 . 8.571 4.428 -25.519 1.00 88.61 84 A 1 ATOM 681 O O . ARG A 0 84 . 10.609 4.000 -27.672 1.00 88.61 84 A 1 ATOM 682 C CG . ARG A 0 84 . 7.257 4.458 -26.310 1.00 88.61 84 A 1 ATOM 683 C CD . ARG A 0 84 . 6.380 5.641 -25.896 1.00 88.61 84 A 1 ATOM 684 N NE . ARG A 0 84 . 6.949 6.923 -26.348 1.00 88.61 84 A 1 ATOM 685 N NH1 . ARG A 0 84 . 5.173 8.233 -25.738 1.00 88.61 84 A 1 ATOM 686 N NH2 . ARG A 0 84 . 6.945 9.167 -26.733 1.00 88.61 84 A 1 ATOM 687 C CZ . ARG A 0 84 . 6.355 8.099 -26.274 1.00 88.61 84 A 1 ATOM 688 N N . LEU A 0 85 . 9.545 2.033 -27.967 1.00 87.92 85 A 1 ATOM 689 C CA . LEU A 0 85 . 9.862 1.906 -29.386 1.00 87.92 85 A 1 ATOM 690 C C . LEU A 0 85 . 9.292 3.108 -30.160 1.00 87.92 85 A 1 ATOM 691 C CB . LEU A 0 85 . 9.318 0.569 -29.926 1.00 87.92 85 A 1 ATOM 692 O O . LEU A 0 85 . 8.240 3.644 -29.778 1.00 87.92 85 A 1 ATOM 693 C CG . LEU A 0 85 . 9.997 -0.679 -29.328 1.00 87.92 85 A 1 ATOM 694 C CD1 . LEU A 0 85 . 9.272 -1.936 -29.806 1.00 87.92 85 A 1 ATOM 695 C CD2 . LEU A 0 85 . 11.469 -0.789 -29.735 1.00 87.92 85 A 1 ATOM 696 N N . PRO A 0 86 . 9.961 3.553 -31.240 1.00 86.35 86 A 1 ATOM 697 C CA . PRO A 0 86 . 9.370 4.537 -32.132 1.00 86.35 86 A 1 ATOM 698 C C . PRO A 0 86 . 8.019 4.016 -32.631 1.00 86.35 86 A 1 ATOM 699 C CB . PRO A 0 86 . 10.380 4.734 -33.267 1.00 86.35 86 A 1 ATOM 700 O O . PRO A 0 86 . 7.794 2.807 -32.719 1.00 86.35 86 A 1 ATOM 701 C CG . PRO A 0 86 . 11.125 3.400 -33.306 1.00 86.35 86 A 1 ATOM 702 C CD . PRO A 0 86 . 11.164 2.985 -31.836 1.00 86.35 86 A 1 ATOM 703 N N . LYS A 0 87 . 7.100 4.929 -32.955 1.00 86.28 87 A 1 ATOM 704 C CA . LYS A 0 87 . 5.832 4.534 -33.575 1.00 86.28 87 A 1 ATOM 705 C C . LYS A 0 87 . 6.163 3.751 -34.846 1.00 86.28 87 A 1 ATOM 706 C CB . LYS A 0 87 . 4.973 5.762 -33.909 1.00 86.28 87 A 1 ATOM 707 O O . LYS A 0 87 . 6.826 4.299 -35.723 1.00 86.28 87 A 1 ATOM 708 C CG . LYS A 0 87 . 4.485 6.512 -32.661 1.00 86.28 87 A 1 ATOM 709 C CD . LYS A 0 87 . 3.589 7.686 -33.078 1.00 86.28 87 A 1 ATOM 710 C CE . LYS A 0 87 . 3.069 8.448 -31.854 1.00 86.28 87 A 1 ATOM 711 N NZ . LYS A 0 87 . 2.176 9.564 -32.260 1.00 86.28 87 A 1 ATOM 712 N N . ALA A 0 88 . 5.716 2.499 -34.934 1.00 83.49 88 A 1 ATOM 713 C CA . ALA A 0 88 . 5.808 1.746 -36.174 1.00 83.49 88 A 1 ATOM 714 C C . ALA A 0 88 . 5.019 2.518 -37.238 1.00 83.49 88 A 1 ATOM 715 C CB . ALA A 0 88 . 5.276 0.325 -35.951 1.00 83.49 88 A 1 ATOM 716 O O . ALA A 0 88 . 3.819 2.752 -37.075 1.00 83.49 88 A 1 ATOM 717 N N . SER A 0 89 . 5.703 2.990 -38.277 1.00 82.15 89 A 1 ATOM 718 C CA . SER A 0 89 . 5.058 3.571 -39.444 1.00 82.15 89 A 1 ATOM 719 C C . SER A 0 89 . 5.095 2.553 -40.573 1.00 82.15 89 A 1 ATOM 720 C CB . SER A 0 89 . 5.670 4.922 -39.834 1.00 82.15 89 A 1 ATOM 721 O O . SER A 0 89 . 6.099 1.883 -40.806 1.00 82.15 89 A 1 ATOM 722 O OG . SER A 0 89 . 7.041 4.807 -40.152 1.00 82.15 89 A 1 ATOM 723 N N . ASN A 0 90 . 3.981 2.453 -41.287 1.00 84.18 90 A 1 ATOM 724 C CA . ASN A 0 90 . 3.867 1.673 -42.510 1.00 84.18 90 A 1 ATOM 725 C C . ASN A 0 90 . 4.515 2.452 -43.668 1.00 84.18 90 A 1 ATOM 726 C CB . ASN A 0 90 . 2.373 1.376 -42.722 1.00 84.18 90 A 1 ATOM 727 O O . ASN A 0 90 . 3.827 2.859 -44.602 1.00 84.18 90 A 1 ATOM 728 C CG . ASN A 0 90 . 1.796 0.371 -41.742 1.00 84.18 90 A 1 ATOM 729 N ND2 . ASN A 0 90 . 0.491 0.331 -41.617 1.00 84.18 90 A 1 ATOM 730 O OD1 . ASN A 0 90 . 2.481 -0.377 -41.071 1.00 84.18 90 A 1 ATOM 731 N N . SER A 0 91 . 5.814 2.759 -43.565 1.00 85.01 91 A 1 ATOM 732 C CA . SER A 0 91 . 6.548 3.377 -44.671 1.00 85.01 91 A 1 ATOM 733 C C . SER A 0 91 . 6.577 2.413 -45.856 1.00 85.01 91 A 1 ATOM 734 C CB . SER A 0 91 . 7.963 3.806 -44.253 1.00 85.01 91 A 1 ATOM 735 O O . SER A 0 91 . 6.624 1.199 -45.667 1.00 85.01 91 A 1 ATOM 736 O OG . SER A 0 91 . 8.755 2.702 -43.862 1.00 85.01 91 A 1 ATOM 737 N N . GLU A 0 92 . 6.552 2.937 -47.082 1.00 83.89 92 A 1 ATOM 738 C CA . GLU A 0 92 . 6.603 2.101 -48.288 1.00 83.89 92 A 1 ATOM 739 C C . GLU A 0 92 . 7.829 1.180 -48.268 1.00 83.89 92 A 1 ATOM 740 C CB . GLU A 0 92 . 6.614 3.021 -49.511 1.00 83.89 92 A 1 ATOM 741 O O . GLU A 0 92 . 7.721 -0.005 -48.557 1.00 83.89 92 A 1 ATOM 742 C CG . GLU A 0 92 . 6.536 2.248 -50.834 1.00 83.89 92 A 1 ATOM 743 C CD . GLU A 0 92 . 6.488 3.177 -52.056 1.00 83.89 92 A 1 ATOM 744 O OE1 . GLU A 0 92 . 6.317 2.638 -53.169 1.00 83.89 92 A 1 ATOM 745 O OE2 . GLU A 0 92 . 6.636 4.407 -51.870 1.00 83.89 92 A 1 ATOM 746 N N . GLU A 0 93 . 8.971 1.698 -47.801 1.00 82.71 93 A 1 ATOM 747 C CA . GLU A 0 93 . 10.180 0.910 -47.572 1.00 82.71 93 A 1 ATOM 748 C C . GLU A 0 93 . 9.995 -0.212 -46.547 1.00 82.71 93 A 1 ATOM 749 C CB . GLU A 0 93 . 11.328 1.850 -47.194 1.00 82.71 93 A 1 ATOM 750 O O . GLU A 0 93 . 10.409 -1.342 -46.803 1.00 82.71 93 A 1 ATOM 751 C CG . GLU A 0 93 . 12.617 1.077 -46.901 1.00 82.71 93 A 1 ATOM 752 C CD . GLU A 0 93 . 13.838 1.932 -47.207 1.00 82.71 93 A 1 ATOM 753 O OE1 . GLU A 0 93 . 14.580 1.482 -48.113 1.00 82.71 93 A 1 ATOM 754 O OE2 . GLU A 0 93 . 13.942 3.037 -46.638 1.00 82.71 93 A 1 ATOM 755 N N . GLY A 0 94 . 9.334 0.074 -45.423 1.00 82.30 94 A 1 ATOM 756 C CA . GLY A 0 94 . 9.004 -0.927 -44.415 1.00 82.30 94 A 1 ATOM 757 C C . GLY A 0 94 . 8.023 -1.982 -44.924 1.00 82.30 94 A 1 ATOM 758 O O . GLY A 0 94 . 8.098 -3.118 -44.480 1.00 82.30 94 A 1 ATOM 759 N N . LEU A 0 95 . 7.150 -1.636 -45.876 1.00 85.27 95 A 1 ATOM 760 C CA . LEU A 0 95 . 6.166 -2.527 -46.498 1.00 85.27 95 A 1 ATOM 761 C C . LEU A 0 95 . 6.656 -3.201 -47.793 1.00 85.27 95 A 1 ATOM 762 C CB . LEU A 0 95 . 4.857 -1.759 -46.750 1.00 85.27 95 A 1 ATOM 763 O O . LEU A 0 95 . 5.883 -3.932 -48.414 1.00 85.27 95 A 1 ATOM 764 C CG . LEU A 0 95 . 4.101 -1.244 -45.512 1.00 85.27 95 A 1 ATOM 765 C CD1 . LEU A 0 95 . 2.857 -0.508 -46.019 1.00 85.27 95 A 1 ATOM 766 C CD2 . LEU A 0 95 . 3.641 -2.348 -44.556 1.00 85.27 95 A 1 ATOM 767 N N . LYS A 0 96 . 7.925 -3.030 -48.198 1.00 83.16 96 A 1 ATOM 768 C CA . LYS A 0 96 . 8.498 -3.674 -49.404 1.00 83.16 96 A 1 ATOM 769 C C . LYS A 0 96 . 8.338 -5.201 -49.410 1.00 83.16 96 A 1 ATOM 770 C CB . LYS A 0 96 . 9.987 -3.302 -49.550 1.00 83.16 96 A 1 ATOM 771 O O . LYS A 0 96 . 8.336 -5.806 -50.475 1.00 83.16 96 A 1 ATOM 772 C CG . LYS A 0 96 . 10.213 -1.904 -50.151 1.00 83.16 96 A 1 ATOM 773 C CD . LYS A 0 96 . 11.694 -1.486 -50.071 1.00 83.16 96 A 1 ATOM 774 C CE . LYS A 0 96 . 11.942 -0.085 -50.662 1.00 83.16 96 A 1 ATOM 775 N NZ . LYS A 0 96 . 13.328 0.408 -50.404 1.00 83.16 96 A 1 ATOM 776 N N . PHE A 0 97 . 8.163 -5.831 -48.246 1.00 83.91 97 A 1 ATOM 777 C CA . PHE A 0 97 . 7.899 -7.270 -48.137 1.00 83.91 97 A 1 ATOM 778 C C . PHE A 0 97 . 6.531 -7.700 -48.700 1.00 83.91 97 A 1 ATOM 779 C CB . PHE A 0 97 . 8.045 -7.708 -46.672 1.00 83.91 97 A 1 ATOM 780 O O . PHE A 0 97 . 6.379 -8.859 -49.071 1.00 83.91 97 A 1 ATOM 781 C CG . PHE A 0 97 . 6.984 -7.164 -45.730 1.00 83.91 97 A 1 ATOM 782 C CD1 . PHE A 0 97 . 7.221 -5.989 -44.999 1.00 83.91 97 A 1 ATOM 783 C CD2 . PHE A 0 97 . 5.762 -7.843 -45.566 1.00 83.91 97 A 1 ATOM 784 C CE1 . PHE A 0 97 . 6.235 -5.483 -44.130 1.00 83.91 97 A 1 ATOM 785 C CE2 . PHE A 0 97 . 4.780 -7.338 -44.695 1.00 83.91 97 A 1 ATOM 786 C CZ . PHE A 0 97 . 5.009 -6.148 -43.988 1.00 83.91 97 A 1 ATOM 787 N N . LEU A 0 98 . 5.542 -6.799 -48.768 1.00 86.75 98 A 1 ATOM 788 C CA . LEU A 0 98 . 4.238 -7.074 -49.388 1.00 86.75 98 A 1 ATOM 789 C C . LEU A 0 98 . 4.305 -6.972 -50.916 1.00 86.75 98 A 1 ATOM 790 C CB . LEU A 0 98 . 3.186 -6.100 -48.823 1.00 86.75 98 A 1 ATOM 791 O O . LEU A 0 98 . 3.638 -7.743 -51.598 1.00 86.75 98 A 1 ATOM 792 C CG . LEU A 0 98 . 2.710 -6.497 -47.414 1.00 86.75 98 A 1 ATOM 793 C CD1 . LEU A 0 98 . 2.492 -5.262 -46.544 1.00 86.75 98 A 1 ATOM 794 C CD2 . LEU A 0 98 . 1.409 -7.297 -47.462 1.00 86.75 98 A 1 ATOM 795 N N . ASN A 0 99 . 5.126 -6.052 -51.436 1.00 87.03 99 A 1 ATOM 796 C CA . ASN A 0 99 . 5.285 -5.774 -52.867 1.00 87.03 99 A 1 ATOM 797 C C . ASN A 0 99 . 6.781 -5.774 -53.254 1.00 87.03 99 A 1 ATOM 798 C CB . ASN A 0 99 . 4.606 -4.430 -53.193 1.00 87.03 99 A 1 ATOM 799 O O . ASN A 0 99 . 7.362 -4.701 -53.441 1.00 87.03 99 A 1 ATOM 800 C CG . ASN A 0 99 . 3.102 -4.419 -52.996 1.00 87.03 99 A 1 ATOM 801 N ND2 . ASN A 0 99 . 2.541 -3.273 -52.692 1.00 87.03 99 A 1 ATOM 802 O OD1 . ASN A 0 99 . 2.397 -5.399 -53.140 1.00 87.03 99 A 1 ATOM 803 N N . PRO A 0 100 . 7.434 -6.949 -53.337 1.00 86.13 100 A 1 ATOM 804 C CA . PRO A 0 100 . 8.855 -7.040 -53.668 1.00 86.13 100 A 1 ATOM 805 C C . PRO A 0 100 . 9.140 -6.564 -55.101 1.00 86.13 100 A 1 ATOM 806 C CB . PRO A 0 100 . 9.228 -8.510 -53.452 1.00 86.13 100 A 1 ATOM 807 O O . PRO A 0 100 . 8.305 -6.706 -55.995 1.00 86.13 100 A 1 ATOM 808 C CG . PRO A 0 100 . 7.906 -9.229 -53.711 1.00 86.13 100 A 1 ATOM 809 C CD . PRO A 0 100 . 6.865 -8.274 -53.145 1.00 86.13 100 A 1 ATOM 810 N N . ASP A 0 101 . 10.344 -6.027 -55.334 1.00 88.24 101 A 1 ATOM 811 C CA . ASP A 0 101 . 10.774 -5.596 -56.670 1.00 88.24 101 A 1 ATOM 812 C C . ASP A 0 101 . 10.716 -6.793 -57.645 1.00 88.24 101 A 1 ATOM 813 C CB . ASP A 0 101 . 12.184 -4.972 -56.597 1.00 88.24 101 A 1 ATOM 814 O O . ASP A 0 101 . 11.352 -7.824 -57.381 1.00 88.24 101 A 1 ATOM 815 C CG . ASP A 0 101 . 12.754 -4.456 -57.933 1.00 88.24 101 A 1 ATOM 816 O OD1 . ASP A 0 101 . 12.144 -4.694 -59.000 1.00 88.24 101 A 1 ATOM 817 O OD2 . ASP A 0 101 . 13.868 -3.892 -57.901 1.00 88.24 101 A 1 ATOM 818 N N . PRO A 0 102 . 9.986 -6.697 -58.776 1.00 90.66 102 A 1 ATOM 819 C CA . PRO A 0 102 . 9.885 -7.784 -59.745 1.00 90.66 102 A 1 ATOM 820 C C . PRO A 0 102 . 11.249 -8.263 -60.258 1.00 90.66 102 A 1 ATOM 821 C CB . PRO A 0 102 . 9.018 -7.234 -60.884 1.00 90.66 102 A 1 ATOM 822 O O . PRO A 0 102 . 11.387 -9.439 -60.598 1.00 90.66 102 A 1 ATOM 823 C CG . PRO A 0 102 . 9.150 -5.717 -60.754 1.00 90.66 102 A 1 ATOM 824 C CD . PRO A 0 102 . 9.238 -5.538 -59.246 1.00 90.66 102 A 1 ATOM 825 N N . LYS A 0 103 . 12.274 -7.397 -60.298 1.00 91.45 103 A 1 ATOM 826 C CA . LYS A 0 103 . 13.635 -7.800 -60.683 1.00 91.45 103 A 1 ATOM 827 C C . LYS A 0 103 . 14.277 -8.712 -59.635 1.00 91.45 103 A 1 ATOM 828 C CB . LYS A 0 103 . 14.480 -6.543 -60.927 1.00 91.45 103 A 1 ATOM 829 O O . LYS A 0 103 . 14.896 -9.710 -59.994 1.00 91.45 103 A 1 ATOM 830 C CG . LYS A 0 103 . 15.856 -6.897 -61.509 1.00 91.45 103 A 1 ATOM 831 C CD . LYS A 0 103 . 16.685 -5.633 -61.749 1.00 91.45 103 A 1 ATOM 832 C CE . LYS A 0 103 . 18.052 -6.023 -62.319 1.00 91.45 103 A 1 ATOM 833 N NZ . LYS A 0 103 . 18.920 -4.835 -62.493 1.00 91.45 103 A 1 ATOM 834 N N . ALA A 0 104 . 14.108 -8.383 -58.355 1.00 89.07 104 A 1 ATOM 835 C CA . ALA A 0 104 . 14.599 -9.202 -57.252 1.00 89.07 104 A 1 ATOM 836 C C . ALA A 0 104 . 13.859 -10.546 -57.183 1.00 89.07 104 A 1 ATOM 837 C CB . ALA A 0 104 . 14.468 -8.404 -55.949 1.00 89.07 104 A 1 ATOM 838 O O . ALA A 0 104 . 14.498 -11.581 -57.018 1.00 89.07 104 A 1 ATOM 839 N N . LEU A 0 105 . 12.536 -10.548 -57.397 1.00 90.90 105 A 1 ATOM 840 C CA . LEU A 0 105 . 11.747 -11.780 -57.507 1.00 90.90 105 A 1 ATOM 841 C C . LEU A 0 105 . 12.261 -12.695 -58.623 1.00 90.90 105 A 1 ATOM 842 C CB . LEU A 0 105 . 10.272 -11.447 -57.778 1.00 90.90 105 A 1 ATOM 843 O O . LEU A 0 105 . 12.461 -13.879 -58.379 1.00 90.90 105 A 1 ATOM 844 C CG . LEU A 0 105 . 9.427 -11.062 -56.556 1.00 90.90 105 A 1 ATOM 845 C CD1 . LEU A 0 105 . 8.043 -10.661 -57.077 1.00 90.90 105 A 1 ATOM 846 C CD2 . LEU A 0 105 . 9.270 -12.232 -55.580 1.00 90.90 105 A 1 ATOM 847 N N . LYS A 0 106 . 12.505 -12.161 -59.829 1.00 95.01 106 A 1 ATOM 848 C CA . LYS A 0 106 . 13.061 -12.955 -60.938 1.00 95.01 106 A 1 ATOM 849 C C . LYS A 0 106 . 14.421 -13.554 -60.592 1.00 95.01 106 A 1 ATOM 850 C CB . LYS A 0 106 . 13.170 -12.121 -62.217 1.00 95.01 106 A 1 ATOM 851 O O . LYS A 0 106 . 14.613 -14.739 -60.810 1.00 95.01 106 A 1 ATOM 852 C CG . LYS A 0 106 . 11.810 -11.956 -62.900 1.00 95.01 106 A 1 ATOM 853 C CD . LYS A 0 106 . 12.002 -11.226 -64.230 1.00 95.01 106 A 1 ATOM 854 C CE . LYS A 0 106 . 10.661 -11.098 -64.950 1.00 95.01 106 A 1 ATOM 855 N NZ . LYS A 0 106 . 10.857 -10.589 -66.327 1.00 95.01 106 A 1 ATOM 856 N N . TYR A 0 107 . 15.319 -12.773 -59.989 1.00 94.21 107 A 1 ATOM 857 C CA . TYR A 0 107 . 16.635 -13.262 -59.571 1.00 94.21 107 A 1 ATOM 858 C C . TYR A 0 107 . 16.548 -14.432 -58.577 1.00 94.21 107 A 1 ATOM 859 C CB . TYR A 0 107 . 17.433 -12.097 -58.973 1.00 94.21 107 A 1 ATOM 860 O O . TYR A 0 107 . 17.295 -15.390 -58.724 1.00 94.21 107 A 1 ATOM 861 C CG . TYR A 0 107 . 18.807 -12.492 -58.470 1.00 94.21 107 A 1 ATOM 862 C CD1 . TYR A 0 107 . 18.980 -12.884 -57.128 1.00 94.21 107 A 1 ATOM 863 C CD2 . TYR A 0 107 . 19.900 -12.517 -59.357 1.00 94.21 107 A 1 ATOM 864 C CE1 . TYR A 0 107 . 20.242 -13.305 -56.670 1.00 94.21 107 A 1 ATOM 865 C CE2 . TYR A 0 107 . 21.170 -12.916 -58.897 1.00 94.21 107 A 1 ATOM 866 O OH . TYR A 0 107 . 22.563 -13.719 -57.122 1.00 94.21 107 A 1 ATOM 867 C CZ . TYR A 0 107 . 21.341 -13.319 -57.557 1.00 94.21 107 A 1 ATOM 868 N N . ILE A 0 108 . 15.629 -14.365 -57.605 1.00 92.49 108 A 1 ATOM 869 C CA . ILE A 0 108 . 15.383 -15.434 -56.615 1.00 92.49 108 A 1 ATOM 870 C C . ILE A 0 108 . 14.707 -16.660 -57.249 1.00 92.49 108 A 1 ATOM 871 C CB . ILE A 0 108 . 14.515 -14.874 -55.458 1.00 92.49 108 A 1 ATOM 872 O O . ILE A 0 108 . 14.855 -17.773 -56.767 1.00 92.49 108 A 1 ATOM 873 C CG1 . ILE A 0 108 . 15.286 -13.799 -54.657 1.00 92.49 108 A 1 ATOM 874 C CG2 . ILE A 0 108 . 14.032 -15.977 -54.492 1.00 92.49 108 A 1 ATOM 875 C CD1 . ILE A 0 108 . 14.385 -12.939 -53.757 1.00 92.49 108 A 1 ATOM 876 N N . ILE A 0 109 . 13.909 -16.468 -58.299 1.00 94.18 109 A 1 ATOM 877 C CA . ILE A 0 109 . 13.287 -17.582 -59.029 1.00 94.18 109 A 1 ATOM 878 C C . ILE A 0 109 . 14.316 -18.277 -59.936 1.00 94.18 109 A 1 ATOM 879 C CB . ILE A 0 109 . 12.046 -17.070 -59.796 1.00 94.18 109 A 1 ATOM 880 O O . ILE A 0 109 . 14.217 -19.479 -60.166 1.00 94.18 109 A 1 ATOM 881 C CG1 . ILE A 0 109 . 10.923 -16.693 -58.799 1.00 94.18 109 A 1 ATOM 882 C CG2 . ILE A 0 109 . 11.511 -18.113 -60.796 1.00 94.18 109 A 1 ATOM 883 C CD1 . ILE A 0 109 . 9.801 -15.847 -59.417 1.00 94.18 109 A 1 ATOM 884 N N . GLU A 0 110 . 15.282 -17.526 -60.467 1.00 96.32 110 A 1 ATOM 885 C CA . GLU A 0 110 . 16.309 -18.017 -61.392 1.00 96.32 110 A 1 ATOM 886 C C . GLU A 0 110 . 17.547 -18.616 -60.694 1.00 96.32 110 A 1 ATOM 887 C CB . GLU A 0 110 . 16.711 -16.872 -62.348 1.00 96.32 110 A 1 ATOM 888 O O . GLU A 0 110 . 18.250 -19.402 -61.330 1.00 96.32 110 A 1 ATOM 889 C CG . GLU A 0 110 . 15.616 -16.533 -63.384 1.00 96.32 110 A 1 ATOM 890 C CD . GLU A 0 110 . 15.897 -15.263 -64.217 1.00 96.32 110 A 1 ATOM 891 O OE1 . GLU A 0 110 . 14.985 -14.855 -64.983 1.00 96.32 110 A 1 ATOM 892 O OE2 . GLU A 0 110 . 16.991 -14.664 -64.092 1.00 96.32 110 A 1 ATOM 893 N N . ASN A 0 111 . 17.815 -18.276 -59.423 1.00 92.47 111 A 1 ATOM 894 C CA . ASN A 0 111 . 18.962 -18.751 -58.625 1.00 92.47 111 A 1 ATOM 895 C C . ASN A 0 111 . 18.517 -19.354 -57.293 1.00 92.47 111 A 1 ATOM 896 C CB . ASN A 0 111 . 19.951 -17.600 -58.335 1.00 92.47 111 A 1 ATOM 897 O O . ASN A 0 111 . 19.121 -20.372 -56.888 1.00 92.47 111 A 1 ATOM 898 C CG . ASN A 0 111 . 20.519 -16.920 -59.558 1.00 92.47 111 A 1 ATOM 899 N ND2 . ASN A 0 111 . 19.882 -15.865 -59.998 1.00 92.47 111 A 1 ATOM 900 O OD1 . ASN A 0 111 . 21.542 -17.294 -60.110 1.00 92.47 111 A 1 ATOM 901 O OXT . ASN A 0 111 . 17.665 -18.705 -56.655 1.00 92.47 111 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 84.86 # loop_ _atom_type.symbol C N O S #