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 PHE 0 3 LEU 0 4 GLY 0 5 LYS 0 6 LEU 0 7 ARG 0 8 PRO 0 9 PHE 0 10 LEU 0 11 LYS 0 12 SER 0 13 ARG 0 14 PHE 0 15 ILE 0 16 ILE 0 17 LEU 0 18 ARG 0 19 GLU 0 20 PHE 0 21 SER 0 22 ASP 0 23 SER 0 24 SER 0 25 SER 0 26 GLU 0 27 ARG 0 28 VAL 0 29 PRO 0 30 PHE 0 31 TYR 0 32 SER 0 33 MET 0 34 LYS 0 35 PRO 0 36 ARG 0 37 LEU 0 38 PHE 0 39 MET 0 40 TYR 0 41 ARG 0 42 ASP 0 43 TYR 0 44 ILE 0 45 GLU 0 46 ARG 0 47 ASP 0 48 PHE 0 49 LYS 0 50 GLU 0 51 GLU 0 52 ARG 0 53 LYS 0 54 SER 0 55 GLN 0 56 LEU 0 57 LEU 0 58 MET 0 59 THR 0 60 LEU 0 61 PHE 0 62 TRP 0 63 ALA 0 64 TRP 0 65 ILE 0 66 THR 0 67 TYR 0 68 PHE 0 69 CYS 0 70 ILE 0 71 ASN 0 72 HIS 0 73 PRO 0 74 GLU 0 75 GLU 0 76 LEU 0 77 ILE 0 78 GLY 0 79 HIS 0 80 GLU 0 81 LYS 0 82 LEU 0 83 PRO 0 84 ASP 0 85 PRO 0 86 LYS 0 87 THR 0 88 PHE 0 89 THR 0 90 ASP 0 91 ASN 0 92 GLU 0 93 LEU 0 94 GLY 0 95 VAL 0 96 LEU # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 0 1 . 8.319 24.210 21.735 1.00 52.03 1 A 1 ATOM 2 C CA . MET A 0 1 . 9.531 23.398 22.013 1.00 52.03 1 A 1 ATOM 3 C C . MET A 0 1 . 9.855 22.333 20.940 1.00 52.03 1 A 1 ATOM 4 C CB . MET A 0 1 . 9.419 22.799 23.426 1.00 52.03 1 A 1 ATOM 5 O O . MET A 0 1 . 10.886 21.687 21.050 1.00 52.03 1 A 1 ATOM 6 C CG . MET A 0 1 . 10.762 22.431 24.067 1.00 52.03 1 A 1 ATOM 7 S SD . MET A 0 1 . 10.574 22.043 25.823 1.00 52.03 1 A 1 ATOM 8 C CE . MET A 0 1 . 12.250 21.498 26.245 1.00 52.03 1 A 1 ATOM 9 N N . PHE A 0 2 . 9.068 22.168 19.861 1.00 55.95 2 A 1 ATOM 10 C CA . PHE A 0 2 . 9.274 21.085 18.870 1.00 55.95 2 A 1 ATOM 11 C C . PHE A 0 2 . 10.210 21.407 17.685 1.00 55.95 2 A 1 ATOM 12 C CB . PHE A 0 2 . 7.898 20.606 18.381 1.00 55.95 2 A 1 ATOM 13 O O . PHE A 0 2 . 10.782 20.501 17.085 1.00 55.95 2 A 1 ATOM 14 C CG . PHE A 0 2 . 7.359 19.456 19.207 1.00 55.95 2 A 1 ATOM 15 C CD1 . PHE A 0 2 . 7.666 18.136 18.825 1.00 55.95 2 A 1 ATOM 16 C CD2 . PHE A 0 2 . 6.577 19.687 20.356 1.00 55.95 2 A 1 ATOM 17 C CE1 . PHE A 0 2 . 7.192 17.052 19.583 1.00 55.95 2 A 1 ATOM 18 C CE2 . PHE A 0 2 . 6.110 18.600 21.118 1.00 55.95 2 A 1 ATOM 19 C CZ . PHE A 0 2 . 6.416 17.284 20.730 1.00 55.95 2 A 1 ATOM 20 N N . LEU A 0 3 . 10.438 22.684 17.366 1.00 58.02 3 A 1 ATOM 21 C CA . LEU A 0 3 . 11.193 23.096 16.168 1.00 58.02 3 A 1 ATOM 22 C C . LEU A 0 3 . 12.722 22.907 16.270 1.00 58.02 3 A 1 ATOM 23 C CB . LEU A 0 3 . 10.802 24.549 15.838 1.00 58.02 3 A 1 ATOM 24 O O . LEU A 0 3 . 13.419 22.956 15.258 1.00 58.02 3 A 1 ATOM 25 C CG . LEU A 0 3 . 9.410 24.639 15.170 1.00 58.02 3 A 1 ATOM 26 C CD1 . LEU A 0 3 . 8.573 25.757 15.787 1.00 58.02 3 A 1 ATOM 27 C CD2 . LEU A 0 3 . 9.548 24.890 13.669 1.00 58.02 3 A 1 ATOM 28 N N . GLY A 0 4 . 13.261 22.651 17.468 1.00 61.55 4 A 1 ATOM 29 C CA . GLY A 0 4 . 14.703 22.459 17.681 1.00 61.55 4 A 1 ATOM 30 C C . GLY A 0 4 . 15.231 21.092 17.230 1.00 61.55 4 A 1 ATOM 31 O O . GLY A 0 4 . 16.371 20.995 16.778 1.00 61.55 4 A 1 ATOM 32 N N . LYS A 0 5 . 14.395 20.043 17.284 1.00 60.26 5 A 1 ATOM 33 C CA . LYS A 0 5 . 14.786 18.667 16.919 1.00 60.26 5 A 1 ATOM 34 C C . LYS A 0 5 . 14.725 18.369 15.416 1.00 60.26 5 A 1 ATOM 35 C CB . LYS A 0 5 . 13.988 17.637 17.742 1.00 60.26 5 A 1 ATOM 36 O O . LYS A 0 5 . 15.251 17.352 14.981 1.00 60.26 5 A 1 ATOM 37 C CG . LYS A 0 5 . 14.561 17.484 19.162 1.00 60.26 5 A 1 ATOM 38 C CD . LYS A 0 5 . 13.983 16.257 19.884 1.00 60.26 5 A 1 ATOM 39 C CE . LYS A 0 5 . 14.733 16.015 21.203 1.00 60.26 5 A 1 ATOM 40 N NZ . LYS A 0 5 . 14.110 14.935 22.014 1.00 60.26 5 A 1 ATOM 41 N N . LEU A 0 6 . 14.162 19.272 14.612 1.00 59.56 6 A 1 ATOM 42 C CA . LEU A 0 6 . 14.073 19.129 13.151 1.00 59.56 6 A 1 ATOM 43 C C . LEU A 0 6 . 15.339 19.588 12.408 1.00 59.56 6 A 1 ATOM 44 C CB . LEU A 0 6 . 12.820 19.881 12.670 1.00 59.56 6 A 1 ATOM 45 O O . LEU A 0 6 . 15.547 19.199 11.262 1.00 59.56 6 A 1 ATOM 46 C CG . LEU A 0 6 . 11.547 19.022 12.801 1.00 59.56 6 A 1 ATOM 47 C CD1 . LEU A 0 6 . 10.320 19.909 12.995 1.00 59.56 6 A 1 ATOM 48 C CD2 . LEU A 0 6 . 11.347 18.163 11.550 1.00 59.56 6 A 1 ATOM 49 N N . ARG A 0 7 . 16.223 20.369 13.044 1.00 60.02 7 A 1 ATOM 50 C CA . ARG A 0 7 . 17.475 20.845 12.424 1.00 60.02 7 A 1 ATOM 51 C C . ARG A 0 7 . 18.412 19.733 11.909 1.00 60.02 7 A 1 ATOM 52 C CB . ARG A 0 7 . 18.225 21.799 13.366 1.00 60.02 7 A 1 ATOM 53 O O . ARG A 0 7 . 18.896 19.888 10.787 1.00 60.02 7 A 1 ATOM 54 C CG . ARG A 0 7 . 17.573 23.189 13.435 1.00 60.02 7 A 1 ATOM 55 C CD . ARG A 0 7 . 18.484 24.153 14.207 1.00 60.02 7 A 1 ATOM 56 N NE . ARG A 0 7 . 17.907 25.508 14.296 1.00 60.02 7 A 1 ATOM 57 N NH1 . ARG A 0 7 . 19.738 26.563 15.212 1.00 60.02 7 A 1 ATOM 58 N NH2 . ARG A 0 7 . 17.885 27.730 14.808 1.00 60.02 7 A 1 ATOM 59 C CZ . ARG A 0 7 . 18.511 26.588 14.768 1.00 60.02 7 A 1 ATOM 60 N N . PRO A 0 8 . 18.680 18.626 12.636 1.00 61.17 8 A 1 ATOM 61 C CA . PRO A 0 8 . 19.490 17.530 12.091 1.00 61.17 8 A 1 ATOM 62 C C . PRO A 0 8 . 18.782 16.799 10.940 1.00 61.17 8 A 1 ATOM 63 C CB . PRO A 0 8 . 19.788 16.606 13.277 1.00 61.17 8 A 1 ATOM 64 O O . PRO A 0 8 . 19.430 16.404 9.973 1.00 61.17 8 A 1 ATOM 65 C CG . PRO A 0 8 . 18.644 16.876 14.253 1.00 61.17 8 A 1 ATOM 66 C CD . PRO A 0 8 . 18.346 18.356 14.030 1.00 61.17 8 A 1 ATOM 67 N N . PHE A 0 9 . 17.449 16.708 10.987 1.00 59.40 9 A 1 ATOM 68 C CA . PHE A 0 9 . 16.644 16.095 9.928 1.00 59.40 9 A 1 ATOM 69 C C . PHE A 0 9 . 16.686 16.918 8.629 1.00 59.40 9 A 1 ATOM 70 C CB . PHE A 0 9 . 15.211 15.913 10.449 1.00 59.40 9 A 1 ATOM 71 O O . PHE A 0 9 . 16.808 16.372 7.536 1.00 59.40 9 A 1 ATOM 72 C CG . PHE A 0 9 . 14.492 14.751 9.803 1.00 59.40 9 A 1 ATOM 73 C CD1 . PHE A 0 9 . 13.670 14.949 8.678 1.00 59.40 9 A 1 ATOM 74 C CD2 . PHE A 0 9 . 14.662 13.456 10.329 1.00 59.40 9 A 1 ATOM 75 C CE1 . PHE A 0 9 . 13.018 13.853 8.084 1.00 59.40 9 A 1 ATOM 76 C CE2 . PHE A 0 9 . 14.012 12.363 9.734 1.00 59.40 9 A 1 ATOM 77 C CZ . PHE A 0 9 . 13.189 12.561 8.612 1.00 59.40 9 A 1 ATOM 78 N N . LEU A 0 10 . 16.676 18.249 8.742 1.00 59.72 10 A 1 ATOM 79 C CA . LEU A 0 10 . 16.827 19.155 7.602 1.00 59.72 10 A 1 ATOM 80 C C . LEU A 0 10 . 18.225 19.071 6.968 1.00 59.72 10 A 1 ATOM 81 C CB . LEU A 0 10 . 16.483 20.588 8.045 1.00 59.72 10 A 1 ATOM 82 O O . LEU A 0 10 . 18.325 19.090 5.744 1.00 59.72 10 A 1 ATOM 83 C CG . LEU A 0 10 . 14.988 20.815 8.345 1.00 59.72 10 A 1 ATOM 84 C CD1 . LEU A 0 10 . 14.800 22.189 8.991 1.00 59.72 10 A 1 ATOM 85 C CD2 . LEU A 0 10 . 14.126 20.753 7.082 1.00 59.72 10 A 1 ATOM 86 N N . LYS A 0 11 . 19.296 18.909 7.762 1.00 60.32 11 A 1 ATOM 87 C CA . LYS A 0 11 . 20.656 18.705 7.221 1.00 60.32 11 A 1 ATOM 88 C C . LYS A 0 11 . 20.808 17.367 6.489 1.00 60.32 11 A 1 ATOM 89 C CB . LYS A 0 11 . 21.721 18.842 8.319 1.00 60.32 11 A 1 ATOM 90 O O . LYS A 0 11 . 21.442 17.333 5.441 1.00 60.32 11 A 1 ATOM 91 C CG . LYS A 0 11 . 21.990 20.308 8.697 1.00 60.32 11 A 1 ATOM 92 C CD . LYS A 0 11 . 23.278 20.421 9.527 1.00 60.32 11 A 1 ATOM 93 C CE . LYS A 0 11 . 23.637 21.891 9.781 1.00 60.32 11 A 1 ATOM 94 N NZ . LYS A 0 11 . 25.072 22.048 10.139 1.00 60.32 11 A 1 ATOM 95 N N . SER A 0 12 . 20.190 16.299 6.997 1.00 60.51 12 A 1 ATOM 96 C CA . SER A 0 12 . 20.154 14.988 6.328 1.00 60.51 12 A 1 ATOM 97 C C . SER A 0 12 . 19.416 15.047 4.983 1.00 60.51 12 A 1 ATOM 98 C CB . SER A 0 12 . 19.518 13.963 7.275 1.00 60.51 12 A 1 ATOM 99 O O . SER A 0 12 . 19.927 14.542 3.982 1.00 60.51 12 A 1 ATOM 100 O OG . SER A 0 12 . 19.023 12.838 6.583 1.00 60.51 12 A 1 ATOM 101 N N . ARG A 0 13 . 18.268 15.741 4.915 1.00 59.15 13 A 1 ATOM 102 C CA . ARG A 0 13 . 17.512 15.904 3.659 1.00 59.15 13 A 1 ATOM 103 C C . ARG A 0 13 . 18.302 16.646 2.579 1.00 59.15 13 A 1 ATOM 104 C CB . ARG A 0 13 . 16.161 16.591 3.916 1.00 59.15 13 A 1 ATOM 105 O O . ARG A 0 13 . 18.159 16.312 1.410 1.00 59.15 13 A 1 ATOM 106 C CG . ARG A 0 13 . 15.172 15.657 4.631 1.00 59.15 13 A 1 ATOM 107 C CD . ARG A 0 13 . 13.805 16.319 4.855 1.00 59.15 13 A 1 ATOM 108 N NE . ARG A 0 13 . 12.940 16.231 3.661 1.00 59.15 13 A 1 ATOM 109 N NH1 . ARG A 0 13 . 11.122 17.364 4.498 1.00 59.15 13 A 1 ATOM 110 N NH2 . ARG A 0 13 . 10.994 16.418 2.485 1.00 59.15 13 A 1 ATOM 111 C CZ . ARG A 0 13 . 11.696 16.672 3.553 1.00 59.15 13 A 1 ATOM 112 N N . PHE A 0 14 . 19.160 17.599 2.947 1.00 57.82 14 A 1 ATOM 113 C CA . PHE A 0 14 . 20.006 18.309 1.979 1.00 57.82 14 A 1 ATOM 114 C C . PHE A 0 14 . 21.065 17.413 1.314 1.00 57.82 14 A 1 ATOM 115 C CB . PHE A 0 14 . 20.649 19.535 2.648 1.00 57.82 14 A 1 ATOM 116 O O . PHE A 0 14 . 21.419 17.666 0.165 1.00 57.82 14 A 1 ATOM 117 C CG . PHE A 0 14 . 19.933 20.831 2.325 1.00 57.82 14 A 1 ATOM 118 C CD1 . PHE A 0 14 . 20.244 21.520 1.138 1.00 57.82 14 A 1 ATOM 119 C CD2 . PHE A 0 14 . 18.948 21.344 3.188 1.00 57.82 14 A 1 ATOM 120 C CE1 . PHE A 0 14 . 19.580 22.718 0.821 1.00 57.82 14 A 1 ATOM 121 C CE2 . PHE A 0 14 . 18.280 22.540 2.871 1.00 57.82 14 A 1 ATOM 122 C CZ . PHE A 0 14 . 18.599 23.229 1.688 1.00 57.82 14 A 1 ATOM 123 N N . ILE A 0 15 . 21.542 16.364 1.993 1.00 59.40 15 A 1 ATOM 124 C CA . ILE A 0 15 . 22.520 15.415 1.433 1.00 59.40 15 A 1 ATOM 125 C C . ILE A 0 15 . 21.828 14.471 0.439 1.00 59.40 15 A 1 ATOM 126 C CB . ILE A 0 15 . 23.262 14.672 2.570 1.00 59.40 15 A 1 ATOM 127 O O . ILE A 0 15 . 22.287 14.332 -0.690 1.00 59.40 15 A 1 ATOM 128 C CG1 . ILE A 0 15 . 24.068 15.685 3.422 1.00 59.40 15 A 1 ATOM 129 C CG2 . ILE A 0 15 . 24.196 13.586 2.005 1.00 59.40 15 A 1 ATOM 130 C CD1 . ILE A 0 15 . 24.657 15.101 4.713 1.00 59.40 15 A 1 ATOM 131 N N . ILE A 0 16 . 20.662 13.932 0.807 1.00 59.24 16 A 1 ATOM 132 C CA . ILE A 0 16 . 19.879 13.025 -0.053 1.00 59.24 16 A 1 ATOM 133 C C . ILE A 0 16 . 19.369 13.749 -1.310 1.00 59.24 16 A 1 ATOM 134 C CB . ILE A 0 16 . 18.719 12.402 0.762 1.00 59.24 16 A 1 ATOM 135 O O . ILE A 0 16 . 19.405 13.202 -2.409 1.00 59.24 16 A 1 ATOM 136 C CG1 . ILE A 0 16 . 19.273 11.572 1.947 1.00 59.24 16 A 1 ATOM 137 C CG2 . ILE A 0 16 . 17.820 11.524 -0.130 1.00 59.24 16 A 1 ATOM 138 C CD1 . ILE A 0 16 . 18.204 11.122 2.952 1.00 59.24 16 A 1 ATOM 139 N N . LEU A 0 17 . 18.927 15.006 -1.179 1.00 57.12 17 A 1 ATOM 140 C CA . LEU A 0 17 . 18.480 15.805 -2.325 1.00 57.12 17 A 1 ATOM 141 C C . LEU A 0 17 . 19.627 16.161 -3.283 1.00 57.12 17 A 1 ATOM 142 C CB . LEU A 0 17 . 17.776 17.078 -1.824 1.00 57.12 17 A 1 ATOM 143 O O . LEU A 0 17 . 19.391 16.294 -4.483 1.00 57.12 17 A 1 ATOM 144 C CG . LEU A 0 17 . 16.392 16.836 -1.194 1.00 57.12 17 A 1 ATOM 145 C CD1 . LEU A 0 17 . 15.883 18.139 -0.573 1.00 57.12 17 A 1 ATOM 146 C CD2 . LEU A 0 17 . 15.358 16.358 -2.215 1.00 57.12 17 A 1 ATOM 147 N N . ARG A 0 18 . 20.859 16.294 -2.776 1.00 58.89 18 A 1 ATOM 148 C CA . ARG A 0 18 . 22.047 16.538 -3.604 1.00 58.89 18 A 1 ATOM 149 C C . ARG A 0 18 . 22.433 15.297 -4.409 1.00 58.89 18 A 1 ATOM 150 C CB . ARG A 0 18 . 23.185 17.049 -2.712 1.00 58.89 18 A 1 ATOM 151 O O . ARG A 0 18 . 22.672 15.406 -5.604 1.00 58.89 18 A 1 ATOM 152 C CG . ARG A 0 18 . 24.420 17.423 -3.538 1.00 58.89 18 A 1 ATOM 153 C CD . ARG A 0 18 . 25.444 18.132 -2.652 1.00 58.89 18 A 1 ATOM 154 N NE . ARG A 0 18 . 26.666 18.422 -3.420 1.00 58.89 18 A 1 ATOM 155 N NH1 . ARG A 0 18 . 27.224 20.439 -2.470 1.00 58.89 18 A 1 ATOM 156 N NH2 . ARG A 0 18 . 28.522 19.552 -4.058 1.00 58.89 18 A 1 ATOM 157 C CZ . ARG A 0 18 . 27.461 19.468 -3.309 1.00 58.89 18 A 1 ATOM 158 N N . GLU A 0 19 . 22.395 14.126 -3.786 1.00 58.14 19 A 1 ATOM 159 C CA . GLU A 0 19 . 22.688 12.847 -4.445 1.00 58.14 19 A 1 ATOM 160 C C . GLU A 0 19 . 21.621 12.479 -5.496 1.00 58.14 19 A 1 ATOM 161 C CB . GLU A 0 19 . 22.840 11.806 -3.328 1.00 58.14 19 A 1 ATOM 162 O O . GLU A 0 19 . 21.937 11.981 -6.575 1.00 58.14 19 A 1 ATOM 163 C CG . GLU A 0 19 . 23.665 10.575 -3.724 1.00 58.14 19 A 1 ATOM 164 C CD . GLU A 0 19 . 24.181 9.809 -2.489 1.00 58.14 19 A 1 ATOM 165 O OE1 . GLU A 0 19 . 25.108 8.991 -2.670 1.00 58.14 19 A 1 ATOM 166 O OE2 . GLU A 0 19 . 23.669 10.058 -1.370 1.00 58.14 19 A 1 ATOM 167 N N . PHE A 0 20 . 20.357 12.848 -5.253 1.00 56.00 20 A 1 ATOM 168 C CA . PHE A 0 20 . 19.278 12.720 -6.240 1.00 56.00 20 A 1 ATOM 169 C C . PHE A 0 20 . 19.439 13.675 -7.437 1.00 56.00 20 A 1 ATOM 170 C CB . PHE A 0 20 . 17.938 12.948 -5.527 1.00 56.00 20 A 1 ATOM 171 O O . PHE A 0 20 . 19.043 13.346 -8.557 1.00 56.00 20 A 1 ATOM 172 C CG . PHE A 0 20 . 16.744 12.406 -6.287 1.00 56.00 20 A 1 ATOM 173 C CD1 . PHE A 0 20 . 15.947 13.252 -7.082 1.00 56.00 20 A 1 ATOM 174 C CD2 . PHE A 0 20 . 16.435 11.037 -6.196 1.00 56.00 20 A 1 ATOM 175 C CE1 . PHE A 0 20 . 14.838 12.729 -7.773 1.00 56.00 20 A 1 ATOM 176 C CE2 . PHE A 0 20 . 15.329 10.514 -6.889 1.00 56.00 20 A 1 ATOM 177 C CZ . PHE A 0 20 . 14.529 11.360 -7.676 1.00 56.00 20 A 1 ATOM 178 N N . SER A 0 21 . 20.033 14.853 -7.215 1.00 57.37 21 A 1 ATOM 179 C CA . SER A 0 21 . 20.349 15.809 -8.283 1.00 57.37 21 A 1 ATOM 180 C C . SER A 0 21 . 21.514 15.337 -9.159 1.00 57.37 21 A 1 ATOM 181 C CB . SER A 0 21 . 20.662 17.183 -7.686 1.00 57.37 21 A 1 ATOM 182 O O . SER A 0 21 . 21.477 15.562 -10.367 1.00 57.37 21 A 1 ATOM 183 O OG . SER A 0 21 . 20.740 18.156 -8.710 1.00 57.37 21 A 1 ATOM 184 N N . ASP A 0 22 . 22.517 14.676 -8.574 1.00 55.01 22 A 1 ATOM 185 C CA . ASP A 0 22 . 23.715 14.220 -9.297 1.00 55.01 22 A 1 ATOM 186 C C . ASP A 0 22 . 23.511 12.879 -10.034 1.00 55.01 22 A 1 ATOM 187 C CB . ASP A 0 22 . 24.925 14.191 -8.335 1.00 55.01 22 A 1 ATOM 188 O O . ASP A 0 22 . 24.175 12.619 -11.036 1.00 55.01 22 A 1 ATOM 189 C CG . ASP A 0 22 . 25.586 15.568 -8.122 1.00 55.01 22 A 1 ATOM 190 O OD1 . ASP A 0 22 . 25.497 16.422 -9.034 1.00 55.01 22 A 1 ATOM 191 O OD2 . ASP A 0 22 . 26.196 15.778 -7.044 1.00 55.01 22 A 1 ATOM 192 N N . SER A 0 23 . 22.535 12.054 -9.634 1.00 54.69 23 A 1 ATOM 193 C CA . SER A 0 23 . 22.275 10.733 -10.247 1.00 54.69 23 A 1 ATOM 194 C C . SER A 0 23 . 21.589 10.777 -11.634 1.00 54.69 23 A 1 ATOM 195 C CB . SER A 0 23 . 21.502 9.876 -9.236 1.00 54.69 23 A 1 ATOM 196 O O . SER A 0 23 . 21.368 9.752 -12.268 1.00 54.69 23 A 1 ATOM 197 O OG . SER A 0 23 . 21.477 8.515 -9.608 1.00 54.69 23 A 1 ATOM 198 N N . SER A 0 24 . 21.257 11.962 -12.164 1.00 53.09 24 A 1 ATOM 199 C CA . SER A 0 24 . 20.470 12.110 -13.409 1.00 53.09 24 A 1 ATOM 200 C C . SER A 0 24 . 21.289 12.507 -14.651 1.00 53.09 24 A 1 ATOM 201 C CB . SER A 0 24 . 19.319 13.100 -13.205 1.00 53.09 24 A 1 ATOM 202 O O . SER A 0 24 . 20.726 13.047 -15.602 1.00 53.09 24 A 1 ATOM 203 O OG . SER A 0 24 . 18.516 12.803 -12.075 1.00 53.09 24 A 1 ATOM 204 N N . SER A 0 25 . 22.609 12.302 -14.653 1.00 50.62 25 A 1 ATOM 205 C CA . SER A 0 25 . 23.502 12.734 -15.742 1.00 50.62 25 A 1 ATOM 206 C C . SER A 0 25 . 23.970 11.575 -16.640 1.00 50.62 25 A 1 ATOM 207 C CB . SER A 0 25 . 24.651 13.585 -15.179 1.00 50.62 25 A 1 ATOM 208 O O . SER A 0 25 . 25.162 11.440 -16.921 1.00 50.62 25 A 1 ATOM 209 O OG . SER A 0 25 . 25.554 13.945 -16.209 1.00 50.62 25 A 1 ATOM 210 N N . GLU A 0 26 . 23.054 10.762 -17.168 1.00 56.88 26 A 1 ATOM 211 C CA . GLU A 0 26 . 23.323 10.134 -18.468 1.00 56.88 26 A 1 ATOM 212 C C . GLU A 0 26 . 23.044 11.180 -19.549 1.00 56.88 26 A 1 ATOM 213 C CB . GLU A 0 26 . 22.551 8.822 -18.681 1.00 56.88 26 A 1 ATOM 214 O O . GLU A 0 26 . 21.927 11.679 -19.696 1.00 56.88 26 A 1 ATOM 215 C CG . GLU A 0 26 . 23.491 7.623 -18.462 1.00 56.88 26 A 1 ATOM 216 C CD . GLU A 0 26 . 22.840 6.274 -18.797 1.00 56.88 26 A 1 ATOM 217 O OE1 . GLU A 0 26 . 23.610 5.351 -19.145 1.00 56.88 26 A 1 ATOM 218 O OE2 . GLU A 0 26 . 21.596 6.186 -18.714 1.00 56.88 26 A 1 ATOM 219 N N . ARG A 0 27 . 24.102 11.586 -20.260 1.00 46.76 27 A 1 ATOM 220 C CA . ARG A 0 27 . 24.067 12.611 -21.309 1.00 46.76 27 A 1 ATOM 221 C C . ARG A 0 27 . 23.226 12.133 -22.499 1.00 46.76 27 A 1 ATOM 222 C CB . ARG A 0 27 . 25.503 12.984 -21.741 1.00 46.76 27 A 1 ATOM 223 O O . ARG A 0 27 . 23.777 11.679 -23.496 1.00 46.76 27 A 1 ATOM 224 C CG . ARG A 0 27 . 26.295 13.708 -20.640 1.00 46.76 27 A 1 ATOM 225 C CD . ARG A 0 27 . 27.534 14.439 -21.187 1.00 46.76 27 A 1 ATOM 226 N NE . ARG A 0 27 . 28.685 13.547 -21.439 1.00 46.76 27 A 1 ATOM 227 N NH1 . ARG A 0 27 . 30.125 15.166 -22.210 1.00 46.76 27 A 1 ATOM 228 N NH2 . ARG A 0 27 . 30.862 13.080 -21.938 1.00 46.76 27 A 1 ATOM 229 C CZ . ARG A 0 27 . 29.879 13.932 -21.861 1.00 46.76 27 A 1 ATOM 230 N N . VAL A 0 28 . 21.904 12.260 -22.416 1.00 57.50 28 A 1 ATOM 231 C CA . VAL A 0 28 . 21.024 12.132 -23.582 1.00 57.50 28 A 1 ATOM 232 C C . VAL A 0 28 . 21.170 13.377 -24.466 1.00 57.50 28 A 1 ATOM 233 C CB . VAL A 0 28 . 19.556 11.843 -23.218 1.00 57.50 28 A 1 ATOM 234 O O . VAL A 0 28 . 21.181 14.501 -23.952 1.00 57.50 28 A 1 ATOM 235 C CG1 . VAL A 0 28 . 19.422 10.406 -22.706 1.00 57.50 28 A 1 ATOM 236 C CG2 . VAL A 0 28 . 18.970 12.803 -22.174 1.00 57.50 28 A 1 ATOM 237 N N . PRO A 0 29 . 21.336 13.220 -25.790 1.00 52.45 29 A 1 ATOM 238 C CA . PRO A 0 29 . 21.566 14.347 -26.678 1.00 52.45 29 A 1 ATOM 239 C C . PRO A 0 29 . 20.340 15.269 -26.680 1.00 52.45 29 A 1 ATOM 240 C CB . PRO A 0 29 . 21.898 13.733 -28.040 1.00 52.45 29 A 1 ATOM 241 O O . PRO A 0 29 . 19.200 14.817 -26.753 1.00 52.45 29 A 1 ATOM 242 C CG . PRO A 0 29 . 21.185 12.382 -28.009 1.00 52.45 29 A 1 ATOM 243 C CD . PRO A 0 29 . 21.269 11.976 -26.540 1.00 52.45 29 A 1 ATOM 244 N N . PHE A 0 30 . 20.609 16.573 -26.611 1.00 55.73 30 A 1 ATOM 245 C CA . PHE A 0 30 . 19.706 17.724 -26.438 1.00 55.73 30 A 1 ATOM 246 C C . PHE A 0 30 . 18.588 17.889 -27.505 1.00 55.73 30 A 1 ATOM 247 C CB . PHE A 0 30 . 20.658 18.937 -26.336 1.00 55.73 30 A 1 ATOM 248 O O . PHE A 0 30 . 17.921 18.918 -27.566 1.00 55.73 30 A 1 ATOM 249 C CG . PHE A 0 30 . 20.050 20.318 -26.188 1.00 55.73 30 A 1 ATOM 250 C CD1 . PHE A 0 30 . 20.027 21.188 -27.295 1.00 55.73 30 A 1 ATOM 251 C CD2 . PHE A 0 30 . 19.539 20.750 -24.950 1.00 55.73 30 A 1 ATOM 252 C CE1 . PHE A 0 30 . 19.486 22.478 -27.171 1.00 55.73 30 A 1 ATOM 253 C CE2 . PHE A 0 30 . 18.999 22.044 -24.825 1.00 55.73 30 A 1 ATOM 254 C CZ . PHE A 0 30 . 18.971 22.906 -25.936 1.00 55.73 30 A 1 ATOM 255 N N . TYR A 0 31 . 18.311 16.876 -28.328 1.00 46.83 31 A 1 ATOM 256 C CA . TYR A 0 31 . 17.295 16.904 -29.382 1.00 46.83 31 A 1 ATOM 257 C C . TYR A 0 31 . 16.077 16.050 -28.988 1.00 46.83 31 A 1 ATOM 258 C CB . TYR A 0 31 . 17.911 16.481 -30.730 1.00 46.83 31 A 1 ATOM 259 O O . TYR A 0 31 . 15.921 14.914 -29.436 1.00 46.83 31 A 1 ATOM 260 C CG . TYR A 0 31 . 19.342 16.927 -30.958 1.00 46.83 31 A 1 ATOM 261 C CD1 . TYR A 0 31 . 19.639 18.255 -31.323 1.00 46.83 31 A 1 ATOM 262 C CD2 . TYR A 0 31 . 20.382 15.994 -30.789 1.00 46.83 31 A 1 ATOM 263 C CE1 . TYR A 0 31 . 20.978 18.645 -31.525 1.00 46.83 31 A 1 ATOM 264 C CE2 . TYR A 0 31 . 21.719 16.382 -30.978 1.00 46.83 31 A 1 ATOM 265 O OH . TYR A 0 31 . 23.314 18.069 -31.541 1.00 46.83 31 A 1 ATOM 266 C CZ . TYR A 0 31 . 22.019 17.707 -31.351 1.00 46.83 31 A 1 ATOM 267 N N . SER A 0 32 . 15.182 16.584 -28.153 1.00 53.46 32 A 1 ATOM 268 C CA . SER A 0 32 . 13.851 15.986 -27.959 1.00 53.46 32 A 1 ATOM 269 C C . SER A 0 32 . 12.754 17.052 -27.914 1.00 53.46 32 A 1 ATOM 270 C CB . SER A 0 32 . 13.804 15.006 -26.782 1.00 53.46 32 A 1 ATOM 271 O O . SER A 0 32 . 12.125 17.317 -26.897 1.00 53.46 32 A 1 ATOM 272 O OG . SER A 0 32 . 12.676 14.168 -26.961 1.00 53.46 32 A 1 ATOM 273 N N . MET A 0 33 . 12.533 17.681 -29.068 1.00 50.83 33 A 1 ATOM 274 C CA . MET A 0 33 . 11.182 17.987 -29.546 1.00 50.83 33 A 1 ATOM 275 C C . MET A 0 33 . 10.846 16.921 -30.599 1.00 50.83 33 A 1 ATOM 276 C CB . MET A 0 33 . 11.088 19.417 -30.120 1.00 50.83 33 A 1 ATOM 277 O O . MET A 0 33 . 10.774 17.215 -31.788 1.00 50.83 33 A 1 ATOM 278 C CG . MET A 0 33 . 10.947 20.495 -29.044 1.00 50.83 33 A 1 ATOM 279 S SD . MET A 0 33 . 11.018 22.192 -29.694 1.00 50.83 33 A 1 ATOM 280 C CE . MET A 0 33 . 9.265 22.655 -29.739 1.00 50.83 33 A 1 ATOM 281 N N . LYS A 0 34 . 10.772 15.644 -30.206 1.00 58.75 34 A 1 ATOM 282 C CA . LYS A 0 34 . 10.443 14.565 -31.147 1.00 58.75 34 A 1 ATOM 283 C C . LYS A 0 34 . 8.913 14.403 -31.209 1.00 58.75 34 A 1 ATOM 284 C CB . LYS A 0 34 . 11.167 13.264 -30.757 1.00 58.75 34 A 1 ATOM 285 O O . LYS A 0 34 . 8.314 14.160 -30.159 1.00 58.75 34 A 1 ATOM 286 C CG . LYS A 0 34 . 12.657 13.257 -31.163 1.00 58.75 34 A 1 ATOM 287 C CD . LYS A 0 34 . 13.376 12.060 -30.518 1.00 58.75 34 A 1 ATOM 288 C CE . LYS A 0 34 . 14.806 11.827 -31.028 1.00 58.75 34 A 1 ATOM 289 N NZ . LYS A 0 34 . 15.376 10.580 -30.438 1.00 58.75 34 A 1 ATOM 290 N N . PRO A 0 35 . 8.252 14.502 -32.385 1.00 58.75 35 A 1 ATOM 291 C CA . PRO A 0 35 . 6.921 13.911 -32.547 1.00 58.75 35 A 1 ATOM 292 C C . PRO A 0 35 . 7.036 12.436 -32.149 1.00 58.75 35 A 1 ATOM 293 C CB . PRO A 0 35 . 6.558 14.095 -34.027 1.00 58.75 35 A 1 ATOM 294 O O . PRO A 0 35 . 8.045 11.824 -32.494 1.00 58.75 35 A 1 ATOM 295 C CG . PRO A 0 35 . 7.914 14.174 -34.726 1.00 58.75 35 A 1 ATOM 296 C CD . PRO A 0 35 . 8.817 14.835 -33.688 1.00 58.75 35 A 1 ATOM 297 N N . ARG A 0 36 . 6.084 11.891 -31.372 1.00 61.64 36 A 1 ATOM 298 C CA . ARG A 0 36 . 6.182 10.527 -30.815 1.00 61.64 36 A 1 ATOM 299 C C . ARG A 0 36 . 6.535 9.542 -31.938 1.00 61.64 36 A 1 ATOM 300 C CB . ARG A 0 36 . 4.884 10.100 -30.100 1.00 61.64 36 A 1 ATOM 301 O O . ARG A 0 36 . 5.687 9.226 -32.767 1.00 61.64 36 A 1 ATOM 302 C CG . ARG A 0 36 . 4.497 10.993 -28.906 1.00 61.64 36 A 1 ATOM 303 C CD . ARG A 0 36 . 3.596 10.223 -27.927 1.00 61.64 36 A 1 ATOM 304 N NE . ARG A 0 36 . 3.011 11.099 -26.889 1.00 61.64 36 A 1 ATOM 305 N NH1 . ARG A 0 36 . 3.306 9.742 -25.042 1.00 61.64 36 A 1 ATOM 306 N NH2 . ARG A 0 36 . 2.386 11.744 -24.793 1.00 61.64 36 A 1 ATOM 307 C CZ . ARG A 0 36 . 2.898 10.852 -25.591 1.00 61.64 36 A 1 ATOM 308 N N . LEU A 0 37 . 7.805 9.143 -32.006 1.00 66.03 37 A 1 ATOM 309 C CA . LEU A 0 37 . 8.320 8.279 -33.061 1.00 66.03 37 A 1 ATOM 310 C C . LEU A 0 37 . 7.623 6.928 -32.905 1.00 66.03 37 A 1 ATOM 311 C CB . LEU A 0 37 . 9.853 8.171 -32.945 1.00 66.03 37 A 1 ATOM 312 O O . LEU A 0 37 . 7.663 6.330 -31.831 1.00 66.03 37 A 1 ATOM 313 C CG . LEU A 0 37 . 10.622 9.362 -33.552 1.00 66.03 37 A 1 ATOM 314 C CD1 . LEU A 0 37 . 11.971 9.534 -32.857 1.00 66.03 37 A 1 ATOM 315 C CD2 . LEU A 0 37 . 10.888 9.163 -35.045 1.00 66.03 37 A 1 ATOM 316 N N . PHE A 0 38 . 6.947 6.476 -33.959 1.00 69.48 38 A 1 ATOM 317 C CA . PHE A 0 38 . 6.439 5.113 -34.026 1.00 69.48 38 A 1 ATOM 318 C C . PHE A 0 38 . 7.632 4.155 -33.960 1.00 69.48 38 A 1 ATOM 319 C CB . PHE A 0 38 . 5.638 4.911 -35.322 1.00 69.48 38 A 1 ATOM 320 O O . PHE A 0 38 . 8.451 4.130 -34.876 1.00 69.48 38 A 1 ATOM 321 C CG . PHE A 0 38 . 4.211 5.423 -35.272 1.00 69.48 38 A 1 ATOM 322 C CD1 . PHE A 0 38 . 3.176 4.556 -34.870 1.00 69.48 38 A 1 ATOM 323 C CD2 . PHE A 0 38 . 3.905 6.746 -35.642 1.00 69.48 38 A 1 ATOM 324 C CE1 . PHE A 0 38 . 1.845 5.006 -34.843 1.00 69.48 38 A 1 ATOM 325 C CE2 . PHE A 0 38 . 2.573 7.197 -35.615 1.00 69.48 38 A 1 ATOM 326 C CZ . PHE A 0 38 . 1.542 6.326 -35.218 1.00 69.48 38 A 1 ATOM 327 N N . MET A 0 39 . 7.724 3.378 -32.881 1.00 74.98 39 A 1 ATOM 328 C CA . MET A 0 39 . 8.718 2.315 -32.735 1.00 74.98 39 A 1 ATOM 329 C C . MET A 0 39 . 8.079 0.969 -33.093 1.00 74.98 39 A 1 ATOM 330 C CB . MET A 0 39 . 9.316 2.308 -31.317 1.00 74.98 39 A 1 ATOM 331 O O . MET A 0 39 . 6.944 0.696 -32.698 1.00 74.98 39 A 1 ATOM 332 C CG . MET A 0 39 . 9.937 3.647 -30.892 1.00 74.98 39 A 1 ATOM 333 S SD . MET A 0 39 . 11.146 4.353 -32.049 1.00 74.98 39 A 1 ATOM 334 C CE . MET A 0 39 . 11.670 5.785 -31.079 1.00 74.98 39 A 1 ATOM 335 N N . TYR A 0 40 . 8.789 0.114 -33.836 1.00 84.23 40 A 1 ATOM 336 C CA . TYR A 0 40 . 8.354 -1.258 -34.119 1.00 84.23 40 A 1 ATOM 337 C C . TYR A 0 40 . 9.148 -2.242 -33.256 1.00 84.23 40 A 1 ATOM 338 C CB . TYR A 0 40 . 8.483 -1.579 -35.617 1.00 84.23 40 A 1 ATOM 339 O O . TYR A 0 40 . 10.362 -2.337 -33.402 1.00 84.23 40 A 1 ATOM 340 C CG . TYR A 0 40 . 7.995 -2.974 -35.980 1.00 84.23 40 A 1 ATOM 341 C CD1 . TYR A 0 40 . 8.915 -4.004 -36.260 1.00 84.23 40 A 1 ATOM 342 C CD2 . TYR A 0 40 . 6.613 -3.246 -36.011 1.00 84.23 40 A 1 ATOM 343 C CE1 . TYR A 0 40 . 8.457 -5.301 -36.569 1.00 84.23 40 A 1 ATOM 344 C CE2 . TYR A 0 40 . 6.149 -4.541 -36.313 1.00 84.23 40 A 1 ATOM 345 O OH . TYR A 0 40 . 6.625 -6.837 -36.824 1.00 84.23 40 A 1 ATOM 346 C CZ . TYR A 0 40 . 7.073 -5.573 -36.586 1.00 84.23 40 A 1 ATOM 347 N N . ARG A 0 41 . 8.449 -2.989 -32.385 1.00 86.78 41 A 1 ATOM 348 C CA . ARG A 0 41 . 9.016 -3.996 -31.458 1.00 86.78 41 A 1 ATOM 349 C C . ARG A 0 41 . 10.083 -3.467 -30.485 1.00 86.78 41 A 1 ATOM 350 C CB . ARG A 0 41 . 9.531 -5.226 -32.229 1.00 86.78 41 A 1 ATOM 351 O O . ARG A 0 41 . 10.883 -4.256 -29.994 1.00 86.78 41 A 1 ATOM 352 C CG . ARG A 0 41 . 8.442 -5.985 -32.989 1.00 86.78 41 A 1 ATOM 353 C CD . ARG A 0 41 . 9.110 -7.149 -33.727 1.00 86.78 41 A 1 ATOM 354 N NE . ARG A 0 41 . 8.116 -8.024 -34.377 1.00 86.78 41 A 1 ATOM 355 N NH1 . ARG A 0 41 . 8.311 -9.854 -32.989 1.00 86.78 41 A 1 ATOM 356 N NH2 . ARG A 0 41 . 6.889 -9.902 -34.709 1.00 86.78 41 A 1 ATOM 357 C CZ . ARG A 0 41 . 7.782 -9.252 -34.019 1.00 86.78 41 A 1 ATOM 358 N N . ASP A 0 42 . 10.054 -2.176 -30.176 1.00 84.92 42 A 1 ATOM 359 C CA . ASP A 0 42 . 10.916 -1.570 -29.159 1.00 84.92 42 A 1 ATOM 360 C C . ASP A 0 42 . 10.080 -0.824 -28.110 1.00 84.92 42 A 1 ATOM 361 C CB . ASP A 0 42 . 11.972 -0.672 -29.829 1.00 84.92 42 A 1 ATOM 362 O O . ASP A 0 42 . 8.891 -0.549 -28.318 1.00 84.92 42 A 1 ATOM 363 C CG . ASP A 0 42 . 13.259 -0.525 -29.005 1.00 84.92 42 A 1 ATOM 364 O OD1 . ASP A 0 42 . 13.274 -0.986 -27.837 1.00 84.92 42 A 1 ATOM 365 O OD2 . ASP A 0 42 . 14.224 0.026 -29.572 1.00 84.92 42 A 1 ATOM 366 N N . TYR A 0 43 . 10.691 -0.518 -26.971 1.00 82.74 43 A 1 ATOM 367 C CA . TYR A 0 43 . 10.067 0.256 -25.906 1.00 82.74 43 A 1 ATOM 368 C C . TYR A 0 43 . 10.014 1.743 -26.269 1.00 82.74 43 A 1 ATOM 369 C CB . TYR A 0 43 . 10.792 0.012 -24.578 1.00 82.74 43 A 1 ATOM 370 O O . TYR A 0 43 . 10.870 2.280 -26.970 1.00 82.74 43 A 1 ATOM 371 C CG . TYR A 0 43 . 10.748 -1.433 -24.116 1.00 82.74 43 A 1 ATOM 372 C CD1 . TYR A 0 43 . 9.628 -1.920 -23.412 1.00 82.74 43 A 1 ATOM 373 C CD2 . TYR A 0 43 . 11.818 -2.297 -24.418 1.00 82.74 43 A 1 ATOM 374 C CE1 . TYR A 0 43 . 9.583 -3.267 -23.003 1.00 82.74 43 A 1 ATOM 375 C CE2 . TYR A 0 43 . 11.779 -3.643 -24.008 1.00 82.74 43 A 1 ATOM 376 O OH . TYR A 0 43 . 10.614 -5.429 -22.905 1.00 82.74 43 A 1 ATOM 377 C CZ . TYR A 0 43 . 10.660 -4.129 -23.299 1.00 82.74 43 A 1 ATOM 378 N N . ILE A 0 44 . 8.995 2.437 -25.763 1.00 82.15 44 A 1 ATOM 379 C CA . ILE A 0 44 . 8.895 3.890 -25.904 1.00 82.15 44 A 1 ATOM 380 C C . ILE A 0 44 . 9.874 4.528 -24.913 1.00 82.15 44 A 1 ATOM 381 C CB . ILE A 0 44 . 7.439 4.369 -25.700 1.00 82.15 44 A 1 ATOM 382 O O . ILE A 0 44 . 9.752 4.315 -23.705 1.00 82.15 44 A 1 ATOM 383 C CG1 . ILE A 0 44 . 6.500 3.716 -26.744 1.00 82.15 44 A 1 ATOM 384 C CG2 . ILE A 0 44 . 7.353 5.904 -25.791 1.00 82.15 44 A 1 ATOM 385 C CD1 . ILE A 0 44 . 5.008 3.970 -26.494 1.00 82.15 44 A 1 ATOM 386 N N . GLU A 0 45 . 10.814 5.333 -25.415 1.00 80.07 45 A 1 ATOM 387 C CA . GLU A 0 45 . 11.668 6.177 -24.574 1.00 80.07 45 A 1 ATOM 388 C C . GLU A 0 45 . 10.786 7.077 -23.694 1.00 80.07 45 A 1 ATOM 389 C CB . GLU A 0 45 . 12.619 7.043 -25.423 1.00 80.07 45 A 1 ATOM 390 O O . GLU A 0 45 . 9.953 7.842 -24.190 1.00 80.07 45 A 1 ATOM 391 C CG . GLU A 0 45 . 13.734 6.250 -26.128 1.00 80.07 45 A 1 ATOM 392 C CD . GLU A 0 45 . 14.667 7.134 -26.989 1.00 80.07 45 A 1 ATOM 393 O OE1 . GLU A 0 45 . 15.607 6.580 -27.597 1.00 80.07 45 A 1 ATOM 394 O OE2 . GLU A 0 45 . 14.436 8.365 -27.109 1.00 80.07 45 A 1 ATOM 395 N N . ARG A 0 46 . 10.941 6.970 -22.370 1.00 79.65 46 A 1 ATOM 396 C CA . ARG A 0 46 . 10.185 7.788 -21.416 1.00 79.65 46 A 1 ATOM 397 C C . ARG A 0 46 . 10.786 9.188 -21.354 1.00 79.65 46 A 1 ATOM 398 C CB . ARG A 0 46 . 10.157 7.133 -20.026 1.00 79.65 46 A 1 ATOM 399 O O . ARG A 0 46 . 11.999 9.336 -21.227 1.00 79.65 46 A 1 ATOM 400 C CG . ARG A 0 46 . 9.441 5.770 -20.038 1.00 79.65 46 A 1 ATOM 401 C CD . ARG A 0 46 . 9.306 5.169 -18.634 1.00 79.65 46 A 1 ATOM 402 N NE . ARG A 0 46 . 10.614 4.973 -17.988 1.00 79.65 46 A 1 ATOM 403 N NH1 . ARG A 0 46 . 10.068 3.253 -16.563 1.00 79.65 46 A 1 ATOM 404 N NH2 . ARG A 0 46 . 12.135 4.091 -16.571 1.00 79.65 46 A 1 ATOM 405 C CZ . ARG A 0 46 . 10.930 4.099 -17.052 1.00 79.65 46 A 1 ATOM 406 N N . ASP A 0 47 . 9.942 10.218 -21.375 1.00 85.33 47 A 1 ATOM 407 C CA . ASP A 0 47 . 10.399 11.567 -21.044 1.00 85.33 47 A 1 ATOM 408 C C . ASP A 0 47 . 10.683 11.638 -19.537 1.00 85.33 47 A 1 ATOM 409 C CB . ASP A 0 47 . 9.390 12.636 -21.510 1.00 85.33 47 A 1 ATOM 410 O O . ASP A 0 47 . 9.776 11.502 -18.710 1.00 85.33 47 A 1 ATOM 411 C CG . ASP A 0 47 . 9.837 14.080 -21.201 1.00 85.33 47 A 1 ATOM 412 O OD1 . ASP A 0 47 . 10.952 14.279 -20.660 1.00 85.33 47 A 1 ATOM 413 O OD2 . ASP A 0 47 . 9.046 15.018 -21.432 1.00 85.33 47 A 1 ATOM 414 N N . PHE A 0 48 . 11.942 11.895 -19.173 1.00 83.55 48 A 1 ATOM 415 C CA . PHE A 0 48 . 12.376 12.072 -17.785 1.00 83.55 48 A 1 ATOM 416 C C . PHE A 0 48 . 11.529 13.102 -17.022 1.00 83.55 48 A 1 ATOM 417 C CB . PHE A 0 48 . 13.842 12.528 -17.773 1.00 83.55 48 A 1 ATOM 418 O O . PHE A 0 48 . 11.328 12.970 -15.811 1.00 83.55 48 A 1 ATOM 419 C CG . PHE A 0 48 . 14.837 11.477 -18.219 1.00 83.55 48 A 1 ATOM 420 C CD1 . PHE A 0 48 . 15.180 10.429 -17.343 1.00 83.55 48 A 1 ATOM 421 C CD2 . PHE A 0 48 . 15.433 11.547 -19.493 1.00 83.55 48 A 1 ATOM 422 C CE1 . PHE A 0 48 . 16.122 9.462 -17.734 1.00 83.55 48 A 1 ATOM 423 C CE2 . PHE A 0 48 . 16.372 10.575 -19.883 1.00 83.55 48 A 1 ATOM 424 C CZ . PHE A 0 48 . 16.720 9.537 -19.003 1.00 83.55 48 A 1 ATOM 425 N N . LYS A 0 49 . 11.010 14.135 -17.705 1.00 84.39 49 A 1 ATOM 426 C CA . LYS A 0 49 . 10.131 15.135 -17.081 1.00 84.39 49 A 1 ATOM 427 C C . LYS A 0 49 . 8.755 14.560 -16.760 1.00 84.39 49 A 1 ATOM 428 C CB . LYS A 0 49 . 9.982 16.357 -17.993 1.00 84.39 49 A 1 ATOM 429 O O . LYS A 0 49 . 8.212 14.879 -15.702 1.00 84.39 49 A 1 ATOM 430 C CG . LYS A 0 49 . 11.288 17.146 -18.148 1.00 84.39 49 A 1 ATOM 431 C CD . LYS A 0 49 . 11.063 18.323 -19.104 1.00 84.39 49 A 1 ATOM 432 C CE . LYS A 0 49 . 12.363 19.111 -19.288 1.00 84.39 49 A 1 ATOM 433 N NZ . LYS A 0 49 . 12.204 20.170 -20.315 1.00 84.39 49 A 1 ATOM 434 N N . GLU A 0 50 . 8.188 13.749 -17.650 1.00 86.79 50 A 1 ATOM 435 C CA . GLU A 0 50 . 6.901 13.079 -17.427 1.00 86.79 50 A 1 ATOM 436 C C . GLU A 0 50 . 7.021 12.013 -16.333 1.00 86.79 50 A 1 ATOM 437 C CB . GLU A 0 50 . 6.360 12.459 -18.727 1.00 86.79 50 A 1 ATOM 438 O O . GLU A 0 50 . 6.190 11.980 -15.426 1.00 86.79 50 A 1 ATOM 439 C CG . GLU A 0 50 . 5.963 13.514 -19.776 1.00 86.79 50 A 1 ATOM 440 C CD . GLU A 0 50 . 5.263 12.918 -21.018 1.00 86.79 50 A 1 ATOM 441 O OE1 . GLU A 0 50 . 4.659 13.712 -21.776 1.00 86.79 50 A 1 ATOM 442 O OE2 . GLU A 0 50 . 5.255 11.677 -21.187 1.00 86.79 50 A 1 ATOM 443 N N . GLU A 0 51 . 8.093 11.218 -16.347 1.00 89.24 51 A 1 ATOM 444 C CA . GLU A 0 51 . 8.362 10.200 -15.324 1.00 89.24 51 A 1 ATOM 445 C C . GLU A 0 51 . 8.555 10.825 -13.933 1.00 89.24 51 A 1 ATOM 446 C CB . GLU A 0 51 . 9.569 9.353 -15.766 1.00 89.24 51 A 1 ATOM 447 O O . GLU A 0 51 . 7.978 10.368 -12.947 1.00 89.24 51 A 1 ATOM 448 C CG . GLU A 0 51 . 9.870 8.225 -14.768 1.00 89.24 51 A 1 ATOM 449 C CD . GLU A 0 51 . 10.827 7.142 -15.298 1.00 89.24 51 A 1 ATOM 450 O OE1 . GLU A 0 51 . 10.882 6.073 -14.649 1.00 89.24 51 A 1 ATOM 451 O OE2 . GLU A 0 51 . 11.464 7.322 -16.361 1.00 89.24 51 A 1 ATOM 452 N N . ARG A 0 52 . 9.285 11.942 -13.834 1.00 89.41 52 A 1 ATOM 453 C CA . ARG A 0 52 . 9.440 12.653 -12.556 1.00 89.41 52 A 1 ATOM 454 C C . ARG A 0 52 . 8.116 13.226 -12.047 1.00 89.41 52 A 1 ATOM 455 C CB . ARG A 0 52 . 10.522 13.724 -12.719 1.00 89.41 52 A 1 ATOM 456 O O . ARG A 0 52 . 7.855 13.190 -10.845 1.00 89.41 52 A 1 ATOM 457 C CG . ARG A 0 52 . 10.874 14.394 -11.383 1.00 89.41 52 A 1 ATOM 458 C CD . ARG A 0 52 . 12.078 15.330 -11.537 1.00 89.41 52 A 1 ATOM 459 N NE . ARG A 0 52 . 13.323 14.581 -11.808 1.00 89.41 52 A 1 ATOM 460 N NH1 . ARG A 0 52 . 14.622 16.329 -12.536 1.00 89.41 52 A 1 ATOM 461 N NH2 . ARG A 0 52 . 15.507 14.285 -12.387 1.00 89.41 52 A 1 ATOM 462 C CZ . ARG A 0 52 . 14.473 15.066 -12.246 1.00 89.41 52 A 1 ATOM 463 N N . LYS A 0 53 . 7.269 13.747 -12.943 1.00 93.13 53 A 1 ATOM 464 C CA . LYS A 0 53 . 5.927 14.235 -12.582 1.00 93.13 53 A 1 ATOM 465 C C . LYS A 0 53 . 5.029 13.094 -12.108 1.00 93.13 53 A 1 ATOM 466 C CB . LYS A 0 53 . 5.275 14.953 -13.769 1.00 93.13 53 A 1 ATOM 467 O O . LYS A 0 53 . 4.345 13.266 -11.104 1.00 93.13 53 A 1 ATOM 468 C CG . LYS A 0 53 . 5.857 16.348 -14.036 1.00 93.13 53 A 1 ATOM 469 C CD . LYS A 0 53 . 5.276 16.873 -15.354 1.00 93.13 53 A 1 ATOM 470 C CE . LYS A 0 53 . 5.880 18.221 -15.748 1.00 93.13 53 A 1 ATOM 471 N NZ . LYS A 0 53 . 5.303 18.687 -17.035 1.00 93.13 53 A 1 ATOM 472 N N . SER A 0 54 . 5.043 11.943 -12.783 1.00 94.01 54 A 1 ATOM 473 C CA . SER A 0 54 . 4.215 10.795 -12.394 1.00 94.01 54 A 1 ATOM 474 C C . SER A 0 54 . 4.633 10.230 -11.034 1.00 94.01 54 A 1 ATOM 475 C CB . SER A 0 54 . 4.220 9.716 -13.482 1.00 94.01 54 A 1 ATOM 476 O O . SER A 0 54 . 3.773 9.979 -10.191 1.00 94.01 54 A 1 ATOM 477 O OG . SER A 0 54 . 5.469 9.067 -13.568 1.00 94.01 54 A 1 ATOM 478 N N . GLN A 0 55 . 5.939 10.137 -10.764 1.00 95.63 55 A 1 ATOM 479 C CA . GLN A 0 55 . 6.466 9.750 -9.452 1.00 95.63 55 A 1 ATOM 480 C C . GLN A 0 55 . 6.062 10.747 -8.353 1.00 95.63 55 A 1 ATOM 481 C CB . GLN A 0 55 . 7.994 9.639 -9.530 1.00 95.63 55 A 1 ATOM 482 O O . GLN A 0 55 . 5.637 10.342 -7.269 1.00 95.63 55 A 1 ATOM 483 C CG . GLN A 0 55 . 8.471 8.426 -10.348 1.00 95.63 55 A 1 ATOM 484 C CD . GLN A 0 55 . 9.987 8.409 -10.536 1.00 95.63 55 A 1 ATOM 485 N NE2 . GLN A 0 55 . 10.516 7.483 -11.306 1.00 95.63 55 A 1 ATOM 486 O OE1 . GLN A 0 55 . 10.725 9.220 -9.996 1.00 95.63 55 A 1 ATOM 487 N N . LEU A 0 56 . 6.132 12.054 -8.624 1.00 96.17 56 A 1 ATOM 488 C CA . LEU A 0 56 . 5.703 13.085 -7.675 1.00 96.17 56 A 1 ATOM 489 C C . LEU A 0 56 . 4.197 13.003 -7.377 1.00 96.17 56 A 1 ATOM 490 C CB . LEU A 0 56 . 6.147 14.457 -8.202 1.00 96.17 56 A 1 ATOM 491 O O . LEU A 0 56 . 3.794 13.099 -6.223 1.00 96.17 56 A 1 ATOM 492 C CG . LEU A 0 56 . 5.841 15.607 -7.220 1.00 96.17 56 A 1 ATOM 493 C CD1 . LEU A 0 56 . 6.999 16.605 -7.194 1.00 96.17 56 A 1 ATOM 494 C CD2 . LEU A 0 56 . 4.579 16.370 -7.631 1.00 96.17 56 A 1 ATOM 495 N N . LEU A 0 57 . 3.360 12.764 -8.388 1.00 96.99 57 A 1 ATOM 496 C CA . LEU A 0 57 . 1.921 12.576 -8.184 1.00 96.99 57 A 1 ATOM 497 C C . LEU A 0 57 . 1.616 11.306 -7.381 1.00 96.99 57 A 1 ATOM 498 C CB . LEU A 0 57 . 1.205 12.556 -9.543 1.00 96.99 57 A 1 ATOM 499 O O . LEU A 0 57 . 0.813 11.358 -6.454 1.00 96.99 57 A 1 ATOM 500 C CG . LEU A 0 57 . 1.156 13.920 -10.253 1.00 96.99 57 A 1 ATOM 501 C CD1 . LEU A 0 57 . 0.571 13.733 -11.653 1.00 96.99 57 A 1 ATOM 502 C CD2 . LEU A 0 57 . 0.299 14.941 -9.502 1.00 96.99 57 A 1 ATOM 503 N N . MET A 0 58 . 2.287 10.190 -7.682 1.00 96.95 58 A 1 ATOM 504 C CA . MET A 0 58 . 2.114 8.928 -6.953 1.00 96.95 58 A 1 ATOM 505 C C . MET A 0 58 . 2.525 9.057 -5.480 1.00 96.95 58 A 1 ATOM 506 C CB . MET A 0 58 . 2.925 7.830 -7.660 1.00 96.95 58 A 1 ATOM 507 O O . MET A 0 58 . 1.820 8.594 -4.586 1.00 96.95 58 A 1 ATOM 508 C CG . MET A 0 58 . 2.754 6.452 -7.005 1.00 96.95 58 A 1 ATOM 509 S SD . MET A 0 58 . 1.051 5.834 -6.907 1.00 96.95 58 A 1 ATOM 510 C CE . MET A 0 58 . 0.692 5.557 -8.662 1.00 96.95 58 A 1 ATOM 511 N N . THR A 0 59 . 3.647 9.728 -5.212 1.00 97.07 59 A 1 ATOM 512 C CA . THR A 0 59 . 4.109 9.977 -3.836 1.00 97.07 59 A 1 ATOM 513 C C . THR A 0 59 . 3.174 10.909 -3.070 1.00 97.07 59 A 1 ATOM 514 C CB . THR A 0 59 . 5.542 10.523 -3.782 1.00 97.07 59 A 1 ATOM 515 O O . THR A 0 59 . 2.892 10.637 -1.906 1.00 97.07 59 A 1 ATOM 516 C CG2 . THR A 0 59 . 6.575 9.481 -4.201 1.00 97.07 59 A 1 ATOM 517 O OG1 . THR A 0 59 . 5.713 11.627 -4.629 1.00 97.07 59 A 1 ATOM 518 N N . LEU A 0 60 . 2.637 11.959 -3.704 1.00 97.25 60 A 1 ATOM 519 C CA . LEU A 0 60 . 1.628 12.827 -3.088 1.00 97.25 60 A 1 ATOM 520 C C . LEU A 0 60 . 0.316 12.087 -2.811 1.00 97.25 60 A 1 ATOM 521 C CB . LEU A 0 60 . 1.363 14.046 -3.986 1.00 97.25 60 A 1 ATOM 522 O O . LEU A 0 60 . -0.269 12.272 -1.747 1.00 97.25 60 A 1 ATOM 523 C CG . LEU A 0 60 . 2.473 15.110 -3.981 1.00 97.25 60 A 1 ATOM 524 C CD1 . LEU A 0 60 . 2.099 16.212 -4.972 1.00 97.25 60 A 1 ATOM 525 C CD2 . LEU A 0 60 . 2.663 15.756 -2.605 1.00 97.25 60 A 1 ATOM 526 N N . PHE A 0 61 . -0.120 11.226 -3.731 1.00 97.23 61 A 1 ATOM 527 C CA . PHE A 0 61 . -1.315 10.401 -3.563 1.00 97.23 61 A 1 ATOM 528 C C . PHE A 0 61 . -1.191 9.470 -2.351 1.00 97.23 61 A 1 ATOM 529 C CB . PHE A 0 61 . -1.552 9.620 -4.859 1.00 97.23 61 A 1 ATOM 530 O O . PHE A 0 61 . -2.064 9.458 -1.485 1.00 97.23 61 A 1 ATOM 531 C CG . PHE A 0 61 . -2.734 8.680 -4.800 1.00 97.23 61 A 1 ATOM 532 C CD1 . PHE A 0 61 . -2.532 7.290 -4.710 1.00 97.23 61 A 1 ATOM 533 C CD2 . PHE A 0 61 . -4.041 9.200 -4.840 1.00 97.23 61 A 1 ATOM 534 C CE1 . PHE A 0 61 . -3.637 6.422 -4.696 1.00 97.23 61 A 1 ATOM 535 C CE2 . PHE A 0 61 . -5.145 8.331 -4.816 1.00 97.23 61 A 1 ATOM 536 C CZ . PHE A 0 61 . -4.941 6.942 -4.763 1.00 97.23 61 A 1 ATOM 537 N N . TRP A 0 62 . -0.069 8.754 -2.224 1.00 95.80 62 A 1 ATOM 538 C CA . TRP A 0 62 . 0.165 7.901 -1.056 1.00 95.80 62 A 1 ATOM 539 C C . TRP A 0 62 . 0.394 8.714 0.228 1.00 95.80 62 A 1 ATOM 540 C CB . TRP A 0 62 . 1.319 6.924 -1.326 1.00 95.80 62 A 1 ATOM 541 O O . TRP A 0 62 . -0.074 8.332 1.301 1.00 95.80 62 A 1 ATOM 542 C CG . TRP A 0 62 . 0.931 5.477 -1.278 1.00 95.80 62 A 1 ATOM 543 C CD1 . TRP A 0 62 . 1.285 4.544 -2.191 1.00 95.80 62 A 1 ATOM 544 C CD2 . TRP A 0 62 . 0.111 4.768 -0.289 1.00 95.80 62 A 1 ATOM 545 C CE2 . TRP A 0 62 . 0.017 3.399 -0.677 1.00 95.80 62 A 1 ATOM 546 C CE3 . TRP A 0 62 . -0.570 5.123 0.894 1.00 95.80 62 A 1 ATOM 547 N NE1 . TRP A 0 62 . 0.754 3.319 -1.837 1.00 95.80 62 A 1 ATOM 548 C CH2 . TRP A 0 62 . -1.373 2.854 1.231 1.00 95.80 62 A 1 ATOM 549 C CZ2 . TRP A 0 62 . -0.711 2.453 0.059 1.00 95.80 62 A 1 ATOM 550 C CZ3 . TRP A 0 62 . -1.294 4.190 1.649 1.00 95.80 62 A 1 ATOM 551 N N . ALA A 0 63 . 1.057 9.869 0.153 1.00 96.03 63 A 1 ATOM 552 C CA . ALA A 0 63 . 1.177 10.753 1.311 1.00 96.03 63 A 1 ATOM 553 C C . ALA A 0 63 . -0.206 11.195 1.820 1.00 96.03 63 A 1 ATOM 554 C CB . ALA A 0 63 . 2.065 11.948 0.951 1.00 96.03 63 A 1 ATOM 555 O O . ALA A 0 63 . -0.435 11.196 3.028 1.00 96.03 63 A 1 ATOM 556 N N . TRP A 0 64 . -1.138 11.495 0.908 1.00 94.75 64 A 1 ATOM 557 C CA . TRP A 0 64 . -2.516 11.858 1.237 1.00 94.75 64 A 1 ATOM 558 C C . TRP A 0 64 . -3.300 10.705 1.869 1.00 94.75 64 A 1 ATOM 559 C CB . TRP A 0 64 . -3.229 12.375 -0.015 1.00 94.75 64 A 1 ATOM 560 O O . TRP A 0 64 . -3.893 10.899 2.925 1.00 94.75 64 A 1 ATOM 561 C CG . TRP A 0 64 . -4.638 12.795 0.246 1.00 94.75 64 A 1 ATOM 562 C CD1 . TRP A 0 64 . -5.746 12.056 0.005 1.00 94.75 64 A 1 ATOM 563 C CD2 . TRP A 0 64 . -5.102 14.018 0.890 1.00 94.75 64 A 1 ATOM 564 C CE2 . TRP A 0 64 . -6.523 13.960 0.994 1.00 94.75 64 A 1 ATOM 565 C CE3 . TRP A 0 64 . -4.459 15.160 1.414 1.00 94.75 64 A 1 ATOM 566 N NE1 . TRP A 0 64 . -6.862 12.743 0.442 1.00 94.75 64 A 1 ATOM 567 C CH2 . TRP A 0 64 . -6.606 16.116 2.085 1.00 94.75 64 A 1 ATOM 568 C CZ2 . TRP A 0 64 . -7.273 14.989 1.577 1.00 94.75 64 A 1 ATOM 569 C CZ3 . TRP A 0 64 . -5.203 16.199 2.005 1.00 94.75 64 A 1 ATOM 570 N N . ILE A 0 65 . -3.264 9.502 1.281 1.00 94.40 65 A 1 ATOM 571 C CA . ILE A 0 65 . -3.954 8.329 1.851 1.00 94.40 65 A 1 ATOM 572 C C . ILE A 0 65 . -3.425 8.030 3.253 1.00 94.40 65 A 1 ATOM 573 C CB . ILE A 0 65 . -3.811 7.088 0.941 1.00 94.40 65 A 1 ATOM 574 O O . ILE A 0 65 . -4.205 7.863 4.184 1.00 94.40 65 A 1 ATOM 575 C CG1 . ILE A 0 65 . -4.575 7.318 -0.378 1.00 94.40 65 A 1 ATOM 576 C CG2 . ILE A 0 65 . -4.353 5.819 1.636 1.00 94.40 65 A 1 ATOM 577 C CD1 . ILE A 0 65 . -4.334 6.225 -1.420 1.00 94.40 65 A 1 ATOM 578 N N . THR A 0 66 . -2.102 8.010 3.420 1.00 94.79 66 A 1 ATOM 579 C CA . THR A 0 66 . -1.482 7.739 4.725 1.00 94.79 66 A 1 ATOM 580 C C . THR A 0 66 . -1.864 8.804 5.748 1.00 94.79 66 A 1 ATOM 581 C CB . THR A 0 66 . 0.046 7.684 4.613 1.00 94.79 66 A 1 ATOM 582 O O . THR A 0 66 . -2.194 8.476 6.885 1.00 94.79 66 A 1 ATOM 583 C CG2 . THR A 0 66 . 0.706 7.259 5.924 1.00 94.79 66 A 1 ATOM 584 O OG1 . THR A 0 66 . 0.449 6.765 3.628 1.00 94.79 66 A 1 ATOM 585 N N . TYR A 0 67 . -1.849 10.080 5.348 1.00 94.67 67 A 1 ATOM 586 C CA . TYR A 0 67 . -2.303 11.179 6.193 1.00 94.67 67 A 1 ATOM 587 C C . TYR A 0 67 . -3.763 10.982 6.614 1.00 94.67 67 A 1 ATOM 588 C CB . TYR A 0 67 . -2.103 12.508 5.451 1.00 94.67 67 A 1 ATOM 589 O O . TYR A 0 67 . -4.066 11.087 7.800 1.00 94.67 67 A 1 ATOM 590 C CG . TYR A 0 67 . -2.701 13.700 6.167 1.00 94.67 67 A 1 ATOM 591 C CD1 . TYR A 0 67 . -3.992 14.149 5.823 1.00 94.67 67 A 1 ATOM 592 C CD2 . TYR A 0 67 . -1.986 14.330 7.203 1.00 94.67 67 A 1 ATOM 593 C CE1 . TYR A 0 67 . -4.575 15.218 6.527 1.00 94.67 67 A 1 ATOM 594 C CE2 . TYR A 0 67 . -2.569 15.399 7.912 1.00 94.67 67 A 1 ATOM 595 O OH . TYR A 0 67 . -4.453 16.842 8.281 1.00 94.67 67 A 1 ATOM 596 C CZ . TYR A 0 67 . -3.872 15.834 7.581 1.00 94.67 67 A 1 ATOM 597 N N . PHE A 0 68 . -4.647 10.646 5.676 1.00 92.97 68 A 1 ATOM 598 C CA . PHE A 0 68 . -6.056 10.416 5.969 1.00 92.97 68 A 1 ATOM 599 C C . PHE A 0 68 . -6.232 9.253 6.952 1.00 92.97 68 A 1 ATOM 600 C CB . PHE A 0 68 . -6.823 10.220 4.658 1.00 92.97 68 A 1 ATOM 601 O O . PHE A 0 68 . -6.788 9.455 8.020 1.00 92.97 68 A 1 ATOM 602 C CG . PHE A 0 68 . -8.322 10.253 4.850 1.00 92.97 68 A 1 ATOM 603 C CD1 . PHE A 0 68 . -9.046 9.054 4.990 1.00 92.97 68 A 1 ATOM 604 C CD2 . PHE A 0 68 . -8.986 11.491 4.950 1.00 92.97 68 A 1 ATOM 605 C CE1 . PHE A 0 68 . -10.430 9.095 5.231 1.00 92.97 68 A 1 ATOM 606 C CE2 . PHE A 0 68 . -10.369 11.529 5.195 1.00 92.97 68 A 1 ATOM 607 C CZ . PHE A 0 68 . -11.090 10.331 5.336 1.00 92.97 68 A 1 ATOM 608 N N . CYS A 0 69 . -5.639 8.085 6.694 1.00 91.20 69 A 1 ATOM 609 C CA . CYS A 0 69 . -5.756 6.928 7.590 1.00 91.20 69 A 1 ATOM 610 C C . CYS A 0 69 . -5.253 7.182 9.026 1.00 91.20 69 A 1 ATOM 611 C CB . CYS A 0 69 . -4.981 5.751 6.981 1.00 91.20 69 A 1 ATOM 612 O O . CYS A 0 69 . -5.728 6.530 9.951 1.00 91.20 69 A 1 ATOM 613 S SG . CYS A 0 69 . -5.727 5.200 5.419 1.00 91.20 69 A 1 ATOM 614 N N . ILE A 0 70 . -4.283 8.086 9.225 1.00 92.66 70 A 1 ATOM 615 C CA . ILE A 0 70 . -3.755 8.423 10.561 1.00 92.66 70 A 1 ATOM 616 C C . ILE A 0 70 . -4.669 9.402 11.306 1.00 92.66 70 A 1 ATOM 617 C CB . ILE A 0 70 . -2.314 8.978 10.453 1.00 92.66 70 A 1 ATOM 618 O O . ILE A 0 70 . -4.849 9.257 12.513 1.00 92.66 70 A 1 ATOM 619 C CG1 . ILE A 0 70 . -1.343 7.863 10.002 1.00 92.66 70 A 1 ATOM 620 C CG2 . ILE A 0 70 . -1.822 9.575 11.790 1.00 92.66 70 A 1 ATOM 621 C CD1 . ILE A 0 70 . 0.041 8.379 9.586 1.00 92.66 70 A 1 ATOM 622 N N . ASN A 0 71 . -5.188 10.424 10.620 1.00 92.02 71 A 1 ATOM 623 C CA . ASN A 0 71 . -5.996 11.471 11.261 1.00 92.02 71 A 1 ATOM 624 C C . ASN A 0 71 . -7.475 11.090 11.378 1.00 92.02 71 A 1 ATOM 625 C CB . ASN A 0 71 . -5.842 12.794 10.495 1.00 92.02 71 A 1 ATOM 626 O O . ASN A 0 71 . -8.151 11.600 12.262 1.00 92.02 71 A 1 ATOM 627 C CG . ASN A 0 71 . -4.441 13.364 10.586 1.00 92.02 71 A 1 ATOM 628 N ND2 . ASN A 0 71 . -3.610 13.097 9.616 1.00 92.02 71 A 1 ATOM 629 O OD1 . ASN A 0 71 . -4.047 14.048 11.515 1.00 92.02 71 A 1 ATOM 630 N N . HIS A 0 72 . -7.928 10.212 10.488 1.00 90.05 72 A 1 ATOM 631 C CA . HIS A 0 72 . -9.315 9.837 10.245 1.00 90.05 72 A 1 ATOM 632 C C . HIS A 0 72 . -9.433 8.298 10.176 1.00 90.05 72 A 1 ATOM 633 C CB . HIS A 0 72 . -9.715 10.586 8.958 1.00 90.05 72 A 1 ATOM 634 O O . HIS A 0 72 . -9.717 7.721 9.119 1.00 90.05 72 A 1 ATOM 635 C CG . HIS A 0 72 . -9.824 12.065 9.177 1.00 90.05 72 A 1 ATOM 636 C CD2 . HIS A 0 72 . -9.079 13.029 8.563 1.00 90.05 72 A 1 ATOM 637 N ND1 . HIS A 0 72 . -10.637 12.687 10.088 1.00 90.05 72 A 1 ATOM 638 C CE1 . HIS A 0 72 . -10.379 14.003 10.029 1.00 90.05 72 A 1 ATOM 639 N NE2 . HIS A 0 72 . -9.429 14.270 9.108 1.00 90.05 72 A 1 ATOM 640 N N . PRO A 0 73 . -9.080 7.573 11.262 1.00 88.29 73 A 1 ATOM 641 C CA . PRO A 0 73 . -9.240 6.123 11.311 1.00 88.29 73 A 1 ATOM 642 C C . PRO A 0 73 . -10.710 5.707 11.457 1.00 88.29 73 A 1 ATOM 643 C CB . PRO A 0 73 . -8.411 5.677 12.518 1.00 88.29 73 A 1 ATOM 644 O O . PRO A 0 73 . -11.060 4.582 11.085 1.00 88.29 73 A 1 ATOM 645 C CG . PRO A 0 73 . -8.521 6.867 13.471 1.00 88.29 73 A 1 ATOM 646 C CD . PRO A 0 73 . -8.505 8.057 12.515 1.00 88.29 73 A 1 ATOM 647 N N . GLU A 0 74 . -11.568 6.579 11.999 1.00 85.15 74 A 1 ATOM 648 C CA . GLU A 0 74 . -12.987 6.293 12.213 1.00 85.15 74 A 1 ATOM 649 C C . GLU A 0 74 . -13.768 6.071 10.911 1.00 85.15 74 A 1 ATOM 650 C CB . GLU A 0 74 . -13.638 7.363 13.109 1.00 85.15 74 A 1 ATOM 651 O O . GLU A 0 74 . -14.708 5.283 10.887 1.00 85.15 74 A 1 ATOM 652 C CG . GLU A 0 74 . -13.616 8.835 12.643 1.00 85.15 74 A 1 ATOM 653 C CD . GLU A 0 74 . -12.380 9.653 13.038 1.00 85.15 74 A 1 ATOM 654 O OE1 . GLU A 0 74 . -12.438 10.898 12.906 1.00 85.15 74 A 1 ATOM 655 O OE2 . GLU A 0 74 . -11.428 9.043 13.580 1.00 85.15 74 A 1 ATOM 656 N N . GLU A 0 75 . -13.336 6.656 9.800 1.00 83.26 75 A 1 ATOM 657 C CA . GLU A 0 75 . -13.919 6.447 8.475 1.00 83.26 75 A 1 ATOM 658 C C . GLU A 0 75 . -13.580 5.062 7.910 1.00 83.26 75 A 1 ATOM 659 C CB . GLU A 0 75 . -13.429 7.533 7.501 1.00 83.26 75 A 1 ATOM 660 O O . GLU A 0 75 . -14.316 4.537 7.075 1.00 83.26 75 A 1 ATOM 661 C CG . GLU A 0 75 . -13.947 8.947 7.819 1.00 83.26 75 A 1 ATOM 662 C CD . GLU A 0 75 . -13.138 9.724 8.872 1.00 83.26 75 A 1 ATOM 663 O OE1 . GLU A 0 75 . -13.334 10.956 8.942 1.00 83.26 75 A 1 ATOM 664 O OE2 . GLU A 0 75 . -12.315 9.104 9.579 1.00 83.26 75 A 1 ATOM 665 N N . LEU A 0 76 . -12.475 4.457 8.364 1.00 84.02 76 A 1 ATOM 666 C CA . LEU A 0 76 . -12.070 3.112 7.955 1.00 84.02 76 A 1 ATOM 667 C C . LEU A 0 76 . -12.672 2.028 8.857 1.00 84.02 76 A 1 ATOM 668 C CB . LEU A 0 76 . -10.531 3.047 7.929 1.00 84.02 76 A 1 ATOM 669 O O . LEU A 0 76 . -13.054 0.965 8.372 1.00 84.02 76 A 1 ATOM 670 C CG . LEU A 0 76 . -9.975 1.738 7.338 1.00 84.02 76 A 1 ATOM 671 C CD1 . LEU A 0 76 . -10.281 1.605 5.844 1.00 84.02 76 A 1 ATOM 672 C CD2 . LEU A 0 76 . -8.456 1.694 7.514 1.00 84.02 76 A 1 ATOM 673 N N . ILE A 0 77 . -12.719 2.276 10.168 1.00 81.45 77 A 1 ATOM 674 C CA . ILE A 0 77 . -13.124 1.287 11.183 1.00 81.45 77 A 1 ATOM 675 C C . ILE A 0 77 . -14.619 1.409 11.534 1.00 81.45 77 A 1 ATOM 676 C CB . ILE A 0 77 . -12.184 1.408 12.410 1.00 81.45 77 A 1 ATOM 677 O O . ILE A 0 77 . -15.228 0.440 11.988 1.00 81.45 77 A 1 ATOM 678 C CG1 . ILE A 0 77 . -10.720 1.112 11.988 1.00 81.45 77 A 1 ATOM 679 C CG2 . ILE A 0 77 . -12.602 0.461 13.552 1.00 81.45 77 A 1 ATOM 680 C CD1 . ILE A 0 77 . -9.672 1.396 13.072 1.00 81.45 77 A 1 ATOM 681 N N . GLY A 0 78 . -15.222 2.568 11.277 1.00 83.37 78 A 1 ATOM 682 C CA . GLY A 0 78 . -16.549 2.951 11.744 1.00 83.37 78 A 1 ATOM 683 C C . GLY A 0 78 . -16.466 3.836 12.991 1.00 83.37 78 A 1 ATOM 684 O O . GLY A 0 78 . -15.654 3.600 13.886 1.00 83.37 78 A 1 ATOM 685 N N . HIS A 0 79 . -17.325 4.857 13.053 1.00 85.43 79 A 1 ATOM 686 C CA . HIS A 0 79 . -17.392 5.793 14.182 1.00 85.43 79 A 1 ATOM 687 C C . HIS A 0 79 . -17.852 5.127 15.483 1.00 85.43 79 A 1 ATOM 688 C CB . HIS A 0 79 . -18.354 6.939 13.835 1.00 85.43 79 A 1 ATOM 689 O O . HIS A 0 79 . -17.376 5.473 16.563 1.00 85.43 79 A 1 ATOM 690 C CG . HIS A 0 79 . -17.878 7.804 12.700 1.00 85.43 79 A 1 ATOM 691 C CD2 . HIS A 0 79 . -18.376 7.842 11.426 1.00 85.43 79 A 1 ATOM 692 N ND1 . HIS A 0 79 . -16.850 8.712 12.752 1.00 85.43 79 A 1 ATOM 693 C CE1 . HIS A 0 79 . -16.706 9.260 11.534 1.00 85.43 79 A 1 ATOM 694 N NE2 . HIS A 0 79 . -17.632 8.769 10.695 1.00 85.43 79 A 1 ATOM 695 N N . GLU A 0 80 . -18.769 4.166 15.381 1.00 81.94 80 A 1 ATOM 696 C CA . GLU A 0 80 . -19.365 3.498 16.532 1.00 81.94 80 A 1 ATOM 697 C C . GLU A 0 80 . -19.291 1.982 16.389 1.00 81.94 80 A 1 ATOM 698 C CB . GLU A 0 80 . -20.807 3.966 16.768 1.00 81.94 80 A 1 ATOM 699 O O . GLU A 0 80 . -19.407 1.420 15.297 1.00 81.94 80 A 1 ATOM 700 C CG . GLU A 0 80 . -20.871 5.477 17.057 1.00 81.94 80 A 1 ATOM 701 C CD . GLU A 0 80 . -22.162 5.923 17.759 1.00 81.94 80 A 1 ATOM 702 O OE1 . GLU A 0 80 . -22.213 7.113 18.141 1.00 81.94 80 A 1 ATOM 703 O OE2 . GLU A 0 80 . -23.071 5.081 17.938 1.00 81.94 80 A 1 ATOM 704 N N . LYS A 0 81 . -19.108 1.302 17.524 1.00 82.34 81 A 1 ATOM 705 C CA . LYS A 0 81 . -19.193 -0.156 17.573 1.00 82.34 81 A 1 ATOM 706 C C . LYS A 0 81 . -20.653 -0.555 17.410 1.00 82.34 81 A 1 ATOM 707 C CB . LYS A 0 81 . -18.628 -0.698 18.891 1.00 82.34 81 A 1 ATOM 708 O O . LYS A 0 81 . -21.488 -0.147 18.212 1.00 82.34 81 A 1 ATOM 709 C CG . LYS A 0 81 . -17.116 -0.469 19.008 1.00 82.34 81 A 1 ATOM 710 C CD . LYS A 0 81 . -16.599 -1.071 20.316 1.00 82.34 81 A 1 ATOM 711 C CE . LYS A 0 81 . -15.096 -0.817 20.440 1.00 82.34 81 A 1 ATOM 712 N NZ . LYS A 0 81 . -14.576 -1.334 21.728 1.00 82.34 81 A 1 ATOM 713 N N . LEU A 0 82 . -20.940 -1.393 16.419 1.00 82.32 82 A 1 ATOM 714 C CA . LEU A 0 82 . -22.246 -2.035 16.301 1.00 82.32 82 A 1 ATOM 715 C C . LEU A 0 82 . -22.500 -2.875 17.567 1.00 82.32 82 A 1 ATOM 716 C CB . LEU A 0 82 . -22.276 -2.897 15.029 1.00 82.32 82 A 1 ATOM 717 O O . LEU A 0 82 . -21.679 -3.749 17.869 1.00 82.32 82 A 1 ATOM 718 C CG . LEU A 0 82 . -22.391 -2.044 13.748 1.00 82.32 82 A 1 ATOM 719 C CD1 . LEU A 0 82 . -21.403 -2.518 12.683 1.00 82.32 82 A 1 ATOM 720 C CD2 . LEU A 0 82 . -23.805 -2.121 13.170 1.00 82.32 82 A 1 ATOM 721 N N . PRO A 0 83 . -23.581 -2.617 18.327 1.00 83.50 83 A 1 ATOM 722 C CA . PRO A 0 83 . -23.917 -3.443 19.478 1.00 83.50 83 A 1 ATOM 723 C C . PRO A 0 83 . -24.282 -4.855 19.006 1.00 83.50 83 A 1 ATOM 724 C CB . PRO A 0 83 . -25.075 -2.726 20.178 1.00 83.50 83 A 1 ATOM 725 O O . PRO A 0 83 . -24.936 -5.023 17.976 1.00 83.50 83 A 1 ATOM 726 C CG . PRO A 0 83 . -25.756 -1.959 19.044 1.00 83.50 83 A 1 ATOM 727 C CD . PRO A 0 83 . -24.596 -1.590 18.120 1.00 83.50 83 A 1 ATOM 728 N N . ASP A 0 84 . -23.857 -5.877 19.751 1.00 86.43 84 A 1 ATOM 729 C CA . ASP A 0 84 . -24.248 -7.257 19.456 1.00 86.43 84 A 1 ATOM 730 C C . ASP A 0 84 . -25.730 -7.450 19.825 1.00 86.43 84 A 1 ATOM 731 C CB . ASP A 0 84 . -23.341 -8.256 20.194 1.00 86.43 84 A 1 ATOM 732 O O . ASP A 0 84 . -26.071 -7.325 21.008 1.00 86.43 84 A 1 ATOM 733 C CG . ASP A 0 84 . -23.673 -9.735 19.909 1.00 86.43 84 A 1 ATOM 734 O OD1 . ASP A 0 84 . -24.583 -10.026 19.099 1.00 86.43 84 A 1 ATOM 735 O OD2 . ASP A 0 84 . -23.019 -10.603 20.522 1.00 86.43 84 A 1 ATOM 736 N N . PRO A 0 85 . -26.615 -7.784 18.862 1.00 83.20 85 A 1 ATOM 737 C CA . PRO A 0 85 . -28.047 -7.915 19.114 1.00 83.20 85 A 1 ATOM 738 C C . PRO A 0 85 . -28.400 -8.975 20.162 1.00 83.20 85 A 1 ATOM 739 C CB . PRO A 0 85 . -28.674 -8.243 17.754 1.00 83.20 85 A 1 ATOM 740 O O . PRO A 0 85 . -29.476 -8.914 20.746 1.00 83.20 85 A 1 ATOM 741 C CG . PRO A 0 85 . -27.524 -8.867 16.966 1.00 83.20 85 A 1 ATOM 742 C CD . PRO A 0 85 . -26.332 -8.059 17.460 1.00 83.20 85 A 1 ATOM 743 N N . LYS A 0 86 . -27.510 -9.939 20.430 1.00 85.01 86 A 1 ATOM 744 C CA . LYS A 0 86 . -27.737 -10.983 21.443 1.00 85.01 86 A 1 ATOM 745 C C . LYS A 0 86 . -27.571 -10.504 22.883 1.00 85.01 86 A 1 ATOM 746 C CB . LYS A 0 86 . -26.775 -12.144 21.195 1.00 85.01 86 A 1 ATOM 747 O O . LYS A 0 86 . -27.952 -11.223 23.799 1.00 85.01 86 A 1 ATOM 748 C CG . LYS A 0 86 . -27.057 -12.837 19.862 1.00 85.01 86 A 1 ATOM 749 C CD . LYS A 0 86 . -26.107 -14.023 19.724 1.00 85.01 86 A 1 ATOM 750 C CE . LYS A 0 86 . -26.372 -14.723 18.395 1.00 85.01 86 A 1 ATOM 751 N NZ . LYS A 0 86 . -25.496 -15.906 18.257 1.00 85.01 86 A 1 ATOM 752 N N . THR A 0 87 . -26.957 -9.339 23.084 1.00 83.99 87 A 1 ATOM 753 C CA . THR A 0 87 . -26.699 -8.799 24.429 1.00 83.99 87 A 1 ATOM 754 C C . THR A 0 87 . -27.911 -8.048 24.983 1.00 83.99 87 A 1 ATOM 755 C CB . THR A 0 87 . -25.445 -7.910 24.421 1.00 83.99 87 A 1 ATOM 756 O O . THR A 0 87 . -27.981 -7.817 26.187 1.00 83.99 87 A 1 ATOM 757 C CG2 . THR A 0 87 . -24.948 -7.530 25.816 1.00 83.99 87 A 1 ATOM 758 O OG1 . THR A 0 87 . -24.369 -8.600 23.821 1.00 83.99 87 A 1 ATOM 759 N N . PHE A 0 88 . -28.874 -7.683 24.129 1.00 85.35 88 A 1 ATOM 760 C CA . PHE A 0 88 . -30.096 -7.013 24.562 1.00 85.35 88 A 1 ATOM 761 C C . PHE A 0 88 . -30.953 -7.953 25.411 1.00 85.35 88 A 1 ATOM 762 C CB . PHE A 0 88 . -30.871 -6.489 23.348 1.00 85.35 88 A 1 ATOM 763 O O . PHE A 0 88 . -31.218 -9.090 25.022 1.00 85.35 88 A 1 ATOM 764 C CG . PHE A 0 88 . -30.134 -5.440 22.539 1.00 85.35 88 A 1 ATOM 765 C CD1 . PHE A 0 88 . -29.656 -4.277 23.171 1.00 85.35 88 A 1 ATOM 766 C CD2 . PHE A 0 88 . -29.949 -5.607 21.155 1.00 85.35 88 A 1 ATOM 767 C CE1 . PHE A 0 88 . -28.970 -3.302 22.427 1.00 85.35 88 A 1 ATOM 768 C CE2 . PHE A 0 88 . -29.263 -4.630 20.410 1.00 85.35 88 A 1 ATOM 769 C CZ . PHE A 0 88 . -28.771 -3.479 21.048 1.00 85.35 88 A 1 ATOM 770 N N . THR A 0 89 . -31.376 -7.475 26.581 1.00 85.46 89 A 1 ATOM 771 C CA . THR A 0 89 . -32.268 -8.245 27.458 1.00 85.46 89 A 1 ATOM 772 C C . THR A 0 89 . -33.712 -8.151 26.964 1.00 85.46 89 A 1 ATOM 773 C CB . THR A 0 89 . -32.156 -7.816 28.929 1.00 85.46 89 A 1 ATOM 774 O O . THR A 0 89 . -34.123 -7.111 26.451 1.00 85.46 89 A 1 ATOM 775 C CG2 . THR A 0 89 . -30.740 -7.972 29.484 1.00 85.46 89 A 1 ATOM 776 O OG1 . THR A 0 89 . -32.543 -6.477 29.126 1.00 85.46 89 A 1 ATOM 777 N N . ASP A 0 90 . -34.510 -9.204 27.155 1.00 87.32 90 A 1 ATOM 778 C CA . ASP A 0 90 . -35.911 -9.245 26.699 1.00 87.32 90 A 1 ATOM 779 C C . ASP A 0 90 . -36.750 -8.064 27.237 1.00 87.32 90 A 1 ATOM 780 C CB . ASP A 0 90 . -36.530 -10.596 27.106 1.00 87.32 90 A 1 ATOM 781 O O . ASP A 0 90 . -37.606 -7.533 26.530 1.00 87.32 90 A 1 ATOM 782 C CG . ASP A 0 90 . -35.917 -11.797 26.368 1.00 87.32 90 A 1 ATOM 783 O OD1 . ASP A 0 90 . -35.425 -11.610 25.233 1.00 87.32 90 A 1 ATOM 784 O OD2 . ASP A 0 90 . -35.895 -12.893 26.971 1.00 87.32 90 A 1 ATOM 785 N N . ASN A 0 91 . -36.423 -7.565 28.438 1.00 85.78 91 A 1 ATOM 786 C CA . ASN A 0 91 . -37.041 -6.375 29.033 1.00 85.78 91 A 1 ATOM 787 C C . ASN A 0 91 . -36.725 -5.076 28.262 1.00 85.78 91 A 1 ATOM 788 C CB . ASN A 0 91 . -36.571 -6.283 30.495 1.00 85.78 91 A 1 ATOM 789 O O . ASN A 0 91 . -37.600 -4.231 28.094 1.00 85.78 91 A 1 ATOM 790 C CG . ASN A 0 91 . -37.270 -5.187 31.286 1.00 85.78 91 A 1 ATOM 791 N ND2 . ASN A 0 91 . -36.612 -4.633 32.275 1.00 85.78 91 A 1 ATOM 792 O OD1 . ASN A 0 91 . -38.415 -4.834 31.080 1.00 85.78 91 A 1 ATOM 793 N N . GLU A 0 92 . -35.497 -4.909 27.760 1.00 88.25 92 A 1 ATOM 794 C CA . GLU A 0 92 . -35.129 -3.762 26.910 1.00 88.25 92 A 1 ATOM 795 C C . GLU A 0 92 . -35.767 -3.853 25.519 1.00 88.25 92 A 1 ATOM 796 C CB . GLU A 0 92 . -33.604 -3.676 26.753 1.00 88.25 92 A 1 ATOM 797 O O . GLU A 0 92 . -36.097 -2.829 24.921 1.00 88.25 92 A 1 ATOM 798 C CG . GLU A 0 92 . -32.893 -3.226 28.036 1.00 88.25 92 A 1 ATOM 799 C CD . GLU A 0 92 . -31.364 -3.215 27.884 1.00 88.25 92 A 1 ATOM 800 O OE1 . GLU A 0 92 . -30.719 -2.440 28.626 1.00 88.25 92 A 1 ATOM 801 O OE2 . GLU A 0 92 . -30.842 -4.025 27.079 1.00 88.25 92 A 1 ATOM 802 N N . LEU A 0 93 . -35.971 -5.074 25.015 1.00 85.77 93 A 1 ATOM 803 C CA . LEU A 0 93 . -36.626 -5.332 23.730 1.00 85.77 93 A 1 ATOM 804 C C . LEU A 0 93 . -38.162 -5.254 23.802 1.00 85.77 93 A 1 ATOM 805 C CB . LEU A 0 93 . -36.147 -6.693 23.189 1.00 85.77 93 A 1 ATOM 806 O O . LEU A 0 93 . -38.818 -5.311 22.762 1.00 85.77 93 A 1 ATOM 807 C CG . LEU A 0 93 . -34.651 -6.755 22.833 1.00 85.77 93 A 1 ATOM 808 C CD1 . LEU A 0 93 . -34.285 -8.184 22.433 1.00 85.77 93 A 1 ATOM 809 C CD2 . LEU A 0 93 . -34.292 -5.829 21.665 1.00 85.77 93 A 1 ATOM 810 N N . GLY A 0 94 . -38.744 -5.114 24.999 1.00 86.79 94 A 1 ATOM 811 C CA . GLY A 0 94 . -40.196 -5.085 25.200 1.00 86.79 94 A 1 ATOM 812 C C . GLY A 0 94 . -40.882 -6.430 24.937 1.00 86.79 94 A 1 ATOM 813 O O . GLY A 0 94 . -42.061 -6.454 24.578 1.00 86.79 94 A 1 ATOM 814 N N . VAL A 0 95 . -40.151 -7.539 25.079 1.00 84.14 95 A 1 ATOM 815 C CA . VAL A 0 95 . -40.680 -8.901 24.949 1.00 84.14 95 A 1 ATOM 816 C C . VAL A 0 95 . -41.214 -9.342 26.319 1.00 84.14 95 A 1 ATOM 817 C CB . VAL A 0 95 . -39.608 -9.857 24.385 1.00 84.14 95 A 1 ATOM 818 O O . VAL A 0 95 . -40.473 -9.338 27.301 1.00 84.14 95 A 1 ATOM 819 C CG1 . VAL A 0 95 . -40.172 -11.266 24.169 1.00 84.14 95 A 1 ATOM 820 C CG2 . VAL A 0 95 . -39.073 -9.368 23.028 1.00 84.14 95 A 1 ATOM 821 N N . LEU A 0 96 . -42.518 -9.645 26.376 1.00 77.25 96 A 1 ATOM 822 C CA . LEU A 0 96 . -43.248 -10.101 27.573 1.00 77.25 96 A 1 ATOM 823 C C . LEU A 0 96 . -42.933 -11.553 27.948 1.00 77.25 96 A 1 ATOM 824 C CB . LEU A 0 96 . -44.771 -9.937 27.356 1.00 77.25 96 A 1 ATOM 825 O O . LEU A 0 96 . -42.789 -12.377 27.016 1.00 77.25 96 A 1 ATOM 826 C CG . LEU A 0 96 . -45.303 -8.500 27.315 1.00 77.25 96 A 1 ATOM 827 C CD1 . LEU A 0 96 . -46.765 -8.526 26.862 1.00 77.25 96 A 1 ATOM 828 C CD2 . LEU A 0 96 . -45.246 -7.836 28.690 1.00 77.25 96 A 1 ATOM 829 O OXT . LEU A 0 96 . -42.989 -11.812 29.169 1.00 77.25 96 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 75.90 # loop_ _atom_type.symbol C N O S #