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 GLU 0 3 CYS 0 4 LEU 0 5 HIS 0 6 ILE 0 7 GLN 0 8 SER 0 9 PHE 0 10 ILE 0 11 HIS 0 12 ILE 0 13 SER 0 14 ILE 0 15 MET 0 16 LYS 0 17 LEU 0 18 ILE 0 19 LEU 0 20 ILE 0 21 PHE 0 22 ALA 0 23 LEU 0 24 ILE 0 25 ILE 0 26 SER 0 27 LEU 0 28 LEU 0 29 LEU 0 30 ASN 0 31 VAL 0 32 THR 0 33 ALA 0 34 GLU 0 35 SER 0 36 GLN 0 37 ALA 0 38 SER 0 39 GLN 0 40 LYS 0 41 GLU 0 42 LEU 0 43 PHE 0 44 THR 0 45 GLU 0 46 SER 0 47 VAL 0 48 LYS 0 49 LEU 0 50 TRP 0 51 LYS 0 52 SER 0 53 ILE 0 54 THR 0 55 GLU 0 56 LEU 0 57 TRP 0 58 LYS 0 59 ARG 0 60 PHE 0 61 GLU 0 62 HIS 0 63 ASN 0 64 CYS 0 65 ARG 0 66 VAL 0 67 LYS 0 68 ILE 0 69 ARG 0 70 LYS 0 71 TYR 0 72 LEU 0 73 GLU 0 74 GLU 0 75 ASP 0 76 ASN 0 77 LEU 0 78 GLY 0 79 GLU 0 80 LYS 0 81 LEU 0 82 ALA 0 83 ALA 0 84 VAL 0 85 VAL 0 86 SER 0 87 ILE 0 88 TYR 0 89 VAL 0 90 LYS 0 91 ARG 0 92 LEU 0 93 ASN 0 94 LYS 0 95 ARG 0 96 LEU 0 97 ASP 0 98 MET 0 99 ARG 0 100 LEU 0 101 SER 0 102 GLU 0 103 ASP 0 104 ARG 0 105 ALA 0 106 GLU # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 0 1 . 12.024 -14.013 -28.699 1.00 46.63 1 A 1 ATOM 2 C CA . MET A 0 1 . 10.658 -14.555 -28.514 1.00 46.63 1 A 1 ATOM 3 C C . MET A 0 1 . 10.298 -14.709 -27.033 1.00 46.63 1 A 1 ATOM 4 C CB . MET A 0 1 . 10.459 -15.846 -29.325 1.00 46.63 1 A 1 ATOM 5 O O . MET A 0 1 . 9.148 -14.481 -26.689 1.00 46.63 1 A 1 ATOM 6 C CG . MET A 0 1 . 9.189 -15.761 -30.180 1.00 46.63 1 A 1 ATOM 7 S SD . MET A 0 1 . 9.154 -16.999 -31.500 1.00 46.63 1 A 1 ATOM 8 C CE . MET A 0 1 . 7.691 -16.465 -32.429 1.00 46.63 1 A 1 ATOM 9 N N . GLU A 0 2 . 11.276 -14.960 -26.156 1.00 47.01 2 A 1 ATOM 10 C CA . GLU A 0 2 . 11.089 -15.173 -24.707 1.00 47.01 2 A 1 ATOM 11 C C . GLU A 0 2 . 10.415 -14.012 -23.935 1.00 47.01 2 A 1 ATOM 12 C CB . GLU A 0 2 . 12.471 -15.477 -24.092 1.00 47.01 2 A 1 ATOM 13 O O . GLU A 0 2 . 9.542 -14.257 -23.104 1.00 47.01 2 A 1 ATOM 14 C CG . GLU A 0 2 . 13.207 -16.677 -24.715 1.00 47.01 2 A 1 ATOM 15 C CD . GLU A 0 2 . 12.447 -17.980 -24.468 1.00 47.01 2 A 1 ATOM 16 O OE1 . GLU A 0 2 . 11.576 -18.273 -25.318 1.00 47.01 2 A 1 ATOM 17 O OE2 . GLU A 0 2 . 12.703 -18.605 -23.420 1.00 47.01 2 A 1 ATOM 18 N N . CYS A 0 3 . 10.727 -12.738 -24.230 1.00 44.78 3 A 1 ATOM 19 C CA . CYS A 0 3 . 10.152 -11.598 -23.485 1.00 44.78 3 A 1 ATOM 20 C C . CYS A 0 3 . 8.622 -11.470 -23.599 1.00 44.78 3 A 1 ATOM 21 C CB . CYS A 0 3 . 10.800 -10.275 -23.923 1.00 44.78 3 A 1 ATOM 22 O O . CYS A 0 3 . 7.969 -11.049 -22.646 1.00 44.78 3 A 1 ATOM 23 S SG . CYS A 0 3 . 12.418 -10.091 -23.133 1.00 44.78 3 A 1 ATOM 24 N N . LEU A 0 4 . 8.028 -11.854 -24.735 1.00 47.69 4 A 1 ATOM 25 C CA . LEU A 0 4 . 6.571 -11.797 -24.928 1.00 47.69 4 A 1 ATOM 26 C C . LEU A 0 4 . 5.843 -12.829 -24.058 1.00 47.69 4 A 1 ATOM 27 C CB . LEU A 0 4 . 6.254 -11.994 -26.424 1.00 47.69 4 A 1 ATOM 28 O O . LEU A 0 4 . 4.752 -12.556 -23.554 1.00 47.69 4 A 1 ATOM 29 C CG . LEU A 0 4 . 6.139 -10.656 -27.176 1.00 47.69 4 A 1 ATOM 30 C CD1 . LEU A 0 4 . 6.468 -10.838 -28.656 1.00 47.69 4 A 1 ATOM 31 C CD2 . LEU A 0 4 . 4.722 -10.088 -27.059 1.00 47.69 4 A 1 ATOM 32 N N . HIS A 0 5 . 6.464 -13.989 -23.840 1.00 47.99 5 A 1 ATOM 33 C CA . HIS A 0 5 . 5.886 -15.057 -23.032 1.00 47.99 5 A 1 ATOM 34 C C . HIS A 0 5 . 5.914 -14.705 -21.538 1.00 47.99 5 A 1 ATOM 35 C CB . HIS A 0 5 . 6.613 -16.372 -23.353 1.00 47.99 5 A 1 ATOM 36 O O . HIS A 0 5 . 4.922 -14.901 -20.834 1.00 47.99 5 A 1 ATOM 37 C CG . HIS A 0 5 . 5.662 -17.536 -23.422 1.00 47.99 5 A 1 ATOM 38 C CD2 . HIS A 0 5 . 4.753 -17.777 -24.417 1.00 47.99 5 A 1 ATOM 39 N ND1 . HIS A 0 5 . 5.541 -18.554 -22.506 1.00 47.99 5 A 1 ATOM 40 C CE1 . HIS A 0 5 . 4.581 -19.388 -22.941 1.00 47.99 5 A 1 ATOM 41 N NE2 . HIS A 0 5 . 4.063 -18.947 -24.097 1.00 47.99 5 A 1 ATOM 42 N N . ILE A 0 6 . 7.006 -14.088 -21.074 1.00 53.59 6 A 1 ATOM 43 C CA . ILE A 0 6 . 7.153 -13.626 -19.686 1.00 53.59 6 A 1 ATOM 44 C C . ILE A 0 6 . 6.145 -12.510 -19.385 1.00 53.59 6 A 1 ATOM 45 C CB . ILE A 0 6 . 8.614 -13.193 -19.423 1.00 53.59 6 A 1 ATOM 46 O O . ILE A 0 6 . 5.454 -12.563 -18.367 1.00 53.59 6 A 1 ATOM 47 C CG1 . ILE A 0 6 . 9.579 -14.389 -19.608 1.00 53.59 6 A 1 ATOM 48 C CG2 . ILE A 0 6 . 8.763 -12.614 -18.005 1.00 53.59 6 A 1 ATOM 49 C CD1 . ILE A 0 6 . 11.052 -13.979 -19.715 1.00 53.59 6 A 1 ATOM 50 N N . GLN A 0 7 . 5.981 -11.543 -20.295 1.00 51.19 7 A 1 ATOM 51 C CA . GLN A 0 7 . 5.042 -10.441 -20.087 1.00 51.19 7 A 1 ATOM 52 C C . GLN A 0 7 . 3.582 -10.913 -20.057 1.00 51.19 7 A 1 ATOM 53 C CB . GLN A 0 7 . 5.295 -9.356 -21.139 1.00 51.19 7 A 1 ATOM 54 O O . GLN A 0 7 . 2.836 -10.493 -19.171 1.00 51.19 7 A 1 ATOM 55 C CG . GLN A 0 7 . 4.491 -8.079 -20.842 1.00 51.19 7 A 1 ATOM 56 C CD . GLN A 0 7 . 4.992 -6.868 -21.622 1.00 51.19 7 A 1 ATOM 57 N NE2 . GLN A 0 7 . 4.146 -5.898 -21.892 1.00 51.19 7 A 1 ATOM 58 O OE1 . GLN A 0 7 . 6.145 -6.748 -21.992 1.00 51.19 7 A 1 ATOM 59 N N . SER A 0 8 . 3.178 -11.828 -20.950 1.00 53.34 8 A 1 ATOM 60 C CA . SER A 0 8 . 1.833 -12.427 -20.905 1.00 53.34 8 A 1 ATOM 61 C C . SER A 0 8 . 1.604 -13.235 -19.627 1.00 53.34 8 A 1 ATOM 62 C CB . SER A 0 8 . 1.572 -13.322 -22.124 1.00 53.34 8 A 1 ATOM 63 O O . SER A 0 8 . 0.555 -13.100 -18.998 1.00 53.34 8 A 1 ATOM 64 O OG . SER A 0 8 . 0.677 -12.677 -23.004 1.00 53.34 8 A 1 ATOM 65 N N . PHE A 0 9 . 2.584 -14.032 -19.192 1.00 54.45 9 A 1 ATOM 66 C CA . PHE A 0 9 . 2.449 -14.845 -17.981 1.00 54.45 9 A 1 ATOM 67 C C . PHE A 0 9 . 2.332 -13.990 -16.710 1.00 54.45 9 A 1 ATOM 68 C CB . PHE A 0 9 . 3.632 -15.812 -17.897 1.00 54.45 9 A 1 ATOM 69 O O . PHE A 0 9 . 1.501 -14.274 -15.838 1.00 54.45 9 A 1 ATOM 70 C CG . PHE A 0 9 . 3.433 -16.879 -16.844 1.00 54.45 9 A 1 ATOM 71 C CD1 . PHE A 0 9 . 3.950 -16.709 -15.546 1.00 54.45 9 A 1 ATOM 72 C CD2 . PHE A 0 9 . 2.698 -18.036 -17.162 1.00 54.45 9 A 1 ATOM 73 C CE1 . PHE A 0 9 . 3.735 -17.699 -14.571 1.00 54.45 9 A 1 ATOM 74 C CE2 . PHE A 0 9 . 2.487 -19.027 -16.188 1.00 54.45 9 A 1 ATOM 75 C CZ . PHE A 0 9 . 3.007 -18.858 -14.892 1.00 54.45 9 A 1 ATOM 76 N N . ILE A 0 10 . 3.110 -12.906 -16.627 1.00 57.56 10 A 1 ATOM 77 C CA . ILE A 0 10 . 3.026 -11.928 -15.538 1.00 57.56 10 A 1 ATOM 78 C C . ILE A 0 10 . 1.660 -11.231 -15.558 1.00 57.56 10 A 1 ATOM 79 C CB . ILE A 0 10 . 4.209 -10.934 -15.615 1.00 57.56 10 A 1 ATOM 80 O O . ILE A 0 10 . 0.998 -11.178 -14.521 1.00 57.56 10 A 1 ATOM 81 C CG1 . ILE A 0 10 . 5.528 -11.656 -15.256 1.00 57.56 10 A 1 ATOM 82 C CG2 . ILE A 0 10 . 3.997 -9.738 -14.669 1.00 57.56 10 A 1 ATOM 83 C CD1 . ILE A 0 10 . 6.783 -10.823 -15.547 1.00 57.56 10 A 1 ATOM 84 N N . HIS A 0 11 . 1.188 -10.767 -16.721 1.00 54.10 11 A 1 ATOM 85 C CA . HIS A 0 11 . -0.115 -10.102 -16.828 1.00 54.10 11 A 1 ATOM 86 C C . HIS A 0 11 . -1.272 -11.027 -16.427 1.00 54.10 11 A 1 ATOM 87 C CB . HIS A 0 11 . -0.328 -9.544 -18.246 1.00 54.10 11 A 1 ATOM 88 O O . HIS A 0 11 . -2.131 -10.628 -15.640 1.00 54.10 11 A 1 ATOM 89 C CG . HIS A 0 11 . -0.559 -8.058 -18.247 1.00 54.10 11 A 1 ATOM 90 C CD2 . HIS A 0 11 . 0.397 -7.084 -18.149 1.00 54.10 11 A 1 ATOM 91 N ND1 . HIS A 0 11 . -1.779 -7.427 -18.332 1.00 54.10 11 A 1 ATOM 92 C CE1 . HIS A 0 11 . -1.562 -6.102 -18.295 1.00 54.10 11 A 1 ATOM 93 N NE2 . HIS A 0 11 . -0.250 -5.845 -18.183 1.00 54.10 11 A 1 ATOM 94 N N . ILE A 0 12 . -1.269 -12.277 -16.904 1.00 61.19 12 A 1 ATOM 95 C CA . ILE A 0 12 . -2.286 -13.285 -16.562 1.00 61.19 12 A 1 ATOM 96 C C . ILE A 0 12 . -2.278 -13.573 -15.055 1.00 61.19 12 A 1 ATOM 97 C CB . ILE A 0 12 . -2.056 -14.567 -17.401 1.00 61.19 12 A 1 ATOM 98 O O . ILE A 0 12 . -3.342 -13.684 -14.440 1.00 61.19 12 A 1 ATOM 99 C CG1 . ILE A 0 12 . -2.414 -14.302 -18.882 1.00 61.19 12 A 1 ATOM 100 C CG2 . ILE A 0 12 . -2.881 -15.758 -16.869 1.00 61.19 12 A 1 ATOM 101 C CD1 . ILE A 0 12 . -1.850 -15.351 -19.851 1.00 61.19 12 A 1 ATOM 102 N N . SER A 0 13 . -1.094 -13.664 -14.446 1.00 61.01 13 A 1 ATOM 103 C CA . SER A 0 13 . -0.962 -13.916 -13.007 1.00 61.01 13 A 1 ATOM 104 C C . SER A 0 13 . -1.441 -12.730 -12.166 1.00 61.01 13 A 1 ATOM 105 C CB . SER A 0 13 . 0.484 -14.274 -12.659 1.00 61.01 13 A 1 ATOM 106 O O . SER A 0 13 . -2.160 -12.928 -11.187 1.00 61.01 13 A 1 ATOM 107 O OG . SER A 0 13 . 0.846 -15.471 -13.318 1.00 61.01 13 A 1 ATOM 108 N N . ILE A 0 14 . -1.120 -11.497 -12.569 1.00 74.57 14 A 1 ATOM 109 C CA . ILE A 0 14 . -1.575 -10.282 -11.878 1.00 74.57 14 A 1 ATOM 110 C C . ILE A 0 14 . -3.098 -10.143 -11.973 1.00 74.57 14 A 1 ATOM 111 C CB . ILE A 0 14 . -0.835 -9.038 -12.425 1.00 74.57 14 A 1 ATOM 112 O O . ILE A 0 14 . -3.749 -9.895 -10.959 1.00 74.57 14 A 1 ATOM 113 C CG1 . ILE A 0 14 . 0.655 -9.086 -12.017 1.00 74.57 14 A 1 ATOM 114 C CG2 . ILE A 0 14 . -1.476 -7.737 -11.902 1.00 74.57 14 A 1 ATOM 115 C CD1 . ILE A 0 14 . 1.521 -8.045 -12.738 1.00 74.57 14 A 1 ATOM 116 N N . MET A 0 15 . -3.688 -10.360 -13.153 1.00 73.52 15 A 1 ATOM 117 C CA . MET A 0 15 . -5.136 -10.212 -13.350 1.00 73.52 15 A 1 ATOM 118 C C . MET A 0 15 . -5.934 -11.202 -12.490 1.00 73.52 15 A 1 ATOM 119 C CB . MET A 0 15 . -5.471 -10.380 -14.840 1.00 73.52 15 A 1 ATOM 120 O O . MET A 0 15 . -6.937 -10.834 -11.878 1.00 73.52 15 A 1 ATOM 121 C CG . MET A 0 15 . -6.509 -9.359 -15.299 1.00 73.52 15 A 1 ATOM 122 S SD . MET A 0 15 . -6.940 -9.550 -17.048 1.00 73.52 15 A 1 ATOM 123 C CE . MET A 0 15 . -8.730 -9.784 -16.898 1.00 73.52 15 A 1 ATOM 124 N N . LYS A 0 16 . -5.443 -12.444 -12.377 1.00 72.34 16 A 1 ATOM 125 C CA . LYS A 0 16 . -6.016 -13.462 -11.486 1.00 72.34 16 A 1 ATOM 126 C C . LYS A 0 16 . -5.916 -13.062 -10.017 1.00 72.34 16 A 1 ATOM 127 C CB . LYS A 0 16 . -5.312 -14.802 -11.726 1.00 72.34 16 A 1 ATOM 128 O O . LYS A 0 16 . -6.894 -13.204 -9.290 1.00 72.34 16 A 1 ATOM 129 C CG . LYS A 0 16 . -5.818 -15.473 -13.007 1.00 72.34 16 A 1 ATOM 130 C CD . LYS A 0 16 . -5.037 -16.761 -13.288 1.00 72.34 16 A 1 ATOM 131 C CE . LYS A 0 16 . -5.831 -17.620 -14.277 1.00 72.34 16 A 1 ATOM 132 N NZ . LYS A 0 16 . -5.083 -18.838 -14.676 1.00 72.34 16 A 1 ATOM 133 N N . LEU A 0 17 . -4.767 -12.541 -9.583 1.00 71.09 17 A 1 ATOM 134 C CA . LEU A 0 17 . -4.584 -12.093 -8.200 1.00 71.09 17 A 1 ATOM 135 C C . LEU A 0 17 . -5.509 -10.926 -7.849 1.00 71.09 17 A 1 ATOM 136 C CB . LEU A 0 17 . -3.114 -11.713 -7.960 1.00 71.09 17 A 1 ATOM 137 O O . LEU A 0 17 . -6.122 -10.953 -6.785 1.00 71.09 17 A 1 ATOM 138 C CG . LEU A 0 17 . -2.170 -12.919 -7.826 1.00 71.09 17 A 1 ATOM 139 C CD1 . LEU A 0 17 . -0.724 -12.422 -7.789 1.00 71.09 17 A 1 ATOM 140 C CD2 . LEU A 0 17 . -2.431 -13.718 -6.546 1.00 71.09 17 A 1 ATOM 141 N N . ILE A 0 18 . -5.660 -9.947 -8.745 1.00 73.70 18 A 1 ATOM 142 C CA . ILE A 0 18 . -6.575 -8.815 -8.546 1.00 73.70 18 A 1 ATOM 143 C C . ILE A 0 18 . -8.022 -9.307 -8.426 1.00 73.70 18 A 1 ATOM 144 C CB . ILE A 0 18 . -6.409 -7.775 -9.678 1.00 73.70 18 A 1 ATOM 145 O O . ILE A 0 18 . -8.733 -8.873 -7.524 1.00 73.70 18 A 1 ATOM 146 C CG1 . ILE A 0 18 . -5.013 -7.113 -9.593 1.00 73.70 18 A 1 ATOM 147 C CG2 . ILE A 0 18 . -7.503 -6.690 -9.600 1.00 73.70 18 A 1 ATOM 148 C CD1 . ILE A 0 18 . -4.651 -6.280 -10.829 1.00 73.70 18 A 1 ATOM 149 N N . LEU A 0 19 . -8.445 -10.247 -9.280 1.00 72.55 19 A 1 ATOM 150 C CA . LEU A 0 19 . -9.785 -10.839 -9.210 1.00 72.55 19 A 1 ATOM 151 C C . LEU A 0 19 . -10.025 -11.579 -7.891 1.00 72.55 19 A 1 ATOM 152 C CB . LEU A 0 19 . -9.992 -11.789 -10.403 1.00 72.55 19 A 1 ATOM 153 O O . LEU A 0 19 . -11.065 -11.384 -7.269 1.00 72.55 19 A 1 ATOM 154 C CG . LEU A 0 19 . -10.419 -11.065 -11.689 1.00 72.55 19 A 1 ATOM 155 C CD1 . LEU A 0 19 . -10.255 -12.004 -12.885 1.00 72.55 19 A 1 ATOM 156 C CD2 . LEU A 0 19 . -11.887 -10.632 -11.622 1.00 72.55 19 A 1 ATOM 157 N N . ILE A 0 20 . -9.060 -12.381 -7.432 1.00 75.69 20 A 1 ATOM 158 C CA . ILE A 0 20 . -9.153 -13.069 -6.135 1.00 75.69 20 A 1 ATOM 159 C C . ILE A 0 20 . -9.281 -12.045 -5.003 1.00 75.69 20 A 1 ATOM 160 C CB . ILE A 0 20 . -7.938 -14.002 -5.932 1.00 75.69 20 A 1 ATOM 161 O O . ILE A 0 20 . -10.128 -12.195 -4.125 1.00 75.69 20 A 1 ATOM 162 C CG1 . ILE A 0 20 . -7.999 -15.184 -6.926 1.00 75.69 20 A 1 ATOM 163 C CG2 . ILE A 0 20 . -7.881 -14.542 -4.489 1.00 75.69 20 A 1 ATOM 164 C CD1 . ILE A 0 20 . -6.667 -15.932 -7.069 1.00 75.69 20 A 1 ATOM 165 N N . PHE A 0 21 . -8.483 -10.977 -5.045 1.00 72.97 21 A 1 ATOM 166 C CA . PHE A 0 21 . -8.525 -9.927 -4.034 1.00 72.97 21 A 1 ATOM 167 C C . PHE A 0 21 . -9.877 -9.195 -4.022 1.00 72.97 21 A 1 ATOM 168 C CB . PHE A 0 21 . -7.345 -8.967 -4.251 1.00 72.97 21 A 1 ATOM 169 O O . PHE A 0 21 . -10.464 -8.993 -2.960 1.00 72.97 21 A 1 ATOM 170 C CG . PHE A 0 21 . -6.728 -8.539 -2.944 1.00 72.97 21 A 1 ATOM 171 C CD1 . PHE A 0 21 . -7.259 -7.446 -2.242 1.00 72.97 21 A 1 ATOM 172 C CD2 . PHE A 0 21 . -5.676 -9.293 -2.390 1.00 72.97 21 A 1 ATOM 173 C CE1 . PHE A 0 21 . -6.757 -7.123 -0.972 1.00 72.97 21 A 1 ATOM 174 C CE2 . PHE A 0 21 . -5.160 -8.958 -1.128 1.00 72.97 21 A 1 ATOM 175 C CZ . PHE A 0 21 . -5.712 -7.883 -0.414 1.00 72.97 21 A 1 ATOM 176 N N . ALA A 0 22 . -10.412 -8.866 -5.200 1.00 71.93 22 A 1 ATOM 177 C CA . ALA A 0 22 . -11.724 -8.241 -5.349 1.00 71.93 22 A 1 ATOM 178 C C . ALA A 0 22 . -12.867 -9.146 -4.857 1.00 71.93 22 A 1 ATOM 179 C CB . ALA A 0 22 . -11.908 -7.858 -6.823 1.00 71.93 22 A 1 ATOM 180 O O . ALA A 0 22 . -13.804 -8.664 -4.216 1.00 71.93 22 A 1 ATOM 181 N N . LEU A 0 23 . -12.777 -10.458 -5.100 1.00 73.04 23 A 1 ATOM 182 C CA . LEU A 0 23 . -13.752 -11.434 -4.605 1.00 73.04 23 A 1 ATOM 183 C C . LEU A 0 23 . -13.737 -11.525 -3.075 1.00 73.04 23 A 1 ATOM 184 C CB . LEU A 0 23 . -13.482 -12.812 -5.235 1.00 73.04 23 A 1 ATOM 185 O O . LEU A 0 23 . -14.802 -11.512 -2.462 1.00 73.04 23 A 1 ATOM 186 C CG . LEU A 0 23 . -13.920 -12.935 -6.705 1.00 73.04 23 A 1 ATOM 187 C CD1 . LEU A 0 23 . -13.381 -14.244 -7.285 1.00 73.04 23 A 1 ATOM 188 C CD2 . LEU A 0 23 . -15.443 -12.944 -6.854 1.00 73.04 23 A 1 ATOM 189 N N . ILE A 0 24 . -12.554 -11.552 -2.453 1.00 76.68 24 A 1 ATOM 190 C CA . ILE A 0 24 . -12.420 -11.577 -0.986 1.00 76.68 24 A 1 ATOM 191 C C . ILE A 0 24 . -13.039 -10.319 -0.365 1.00 76.68 24 A 1 ATOM 192 C CB . ILE A 0 24 . -10.937 -11.746 -0.581 1.00 76.68 24 A 1 ATOM 193 O O . ILE A 0 24 . -13.797 -10.421 0.599 1.00 76.68 24 A 1 ATOM 194 C CG1 . ILE A 0 24 . -10.435 -13.156 -0.971 1.00 76.68 24 A 1 ATOM 195 C CG2 . ILE A 0 24 . -10.737 -11.529 0.933 1.00 76.68 24 A 1 ATOM 196 C CD1 . ILE A 0 24 . -8.908 -13.298 -0.935 1.00 76.68 24 A 1 ATOM 197 N N . ILE A 0 25 . -12.765 -9.141 -0.934 1.00 75.96 25 A 1 ATOM 198 C CA . ILE A 0 25 . -13.349 -7.878 -0.460 1.00 75.96 25 A 1 ATOM 199 C C . ILE A 0 25 . -14.878 -7.894 -0.609 1.00 75.96 25 A 1 ATOM 200 C CB . ILE A 0 25 . -12.701 -6.678 -1.187 1.00 75.96 25 A 1 ATOM 201 O O . ILE A 0 25 . -15.581 -7.498 0.318 1.00 75.96 25 A 1 ATOM 202 C CG1 . ILE A 0 25 . -11.217 -6.545 -0.770 1.00 75.96 25 A 1 ATOM 203 C CG2 . ILE A 0 25 . -13.451 -5.369 -0.871 1.00 75.96 25 A 1 ATOM 204 C CD1 . ILE A 0 25 . -10.417 -5.558 -1.632 1.00 75.96 25 A 1 ATOM 205 N N . SER A 0 26 . -15.398 -8.390 -1.735 1.00 72.27 26 A 1 ATOM 206 C CA . SER A 0 26 . -16.848 -8.468 -1.980 1.00 72.27 26 A 1 ATOM 207 C C . SER A 0 26 . -17.552 -9.416 -1.002 1.00 72.27 26 A 1 ATOM 208 C CB . SER A 0 26 . -17.129 -8.918 -3.418 1.00 72.27 26 A 1 ATOM 209 O O . SER A 0 26 . -18.619 -9.091 -0.487 1.00 72.27 26 A 1 ATOM 210 O OG . SER A 0 26 . -16.521 -8.041 -4.348 1.00 72.27 26 A 1 ATOM 211 N N . LEU A 0 27 . -16.934 -10.562 -0.695 1.00 72.00 27 A 1 ATOM 212 C CA . LEU A 0 27 . -17.431 -11.509 0.309 1.00 72.00 27 A 1 ATOM 213 C C . LEU A 0 27 . -17.481 -10.878 1.704 1.00 72.00 27 A 1 ATOM 214 C CB . LEU A 0 27 . -16.535 -12.761 0.309 1.00 72.00 27 A 1 ATOM 215 O O . LEU A 0 27 . -18.491 -11.003 2.394 1.00 72.00 27 A 1 ATOM 216 C CG . LEU A 0 27 . -16.900 -13.760 -0.801 1.00 72.00 27 A 1 ATOM 217 C CD1 . LEU A 0 27 . -15.718 -14.683 -1.098 1.00 72.00 27 A 1 ATOM 218 C CD2 . LEU A 0 27 . -18.091 -14.629 -0.385 1.00 72.00 27 A 1 ATOM 219 N N . LEU A 0 28 . -16.425 -10.163 2.101 1.00 65.07 28 A 1 ATOM 220 C CA . LEU A 0 28 . -16.385 -9.459 3.384 1.00 65.07 28 A 1 ATOM 221 C C . LEU A 0 28 . -17.481 -8.390 3.478 1.00 65.07 28 A 1 ATOM 222 C CB . LEU A 0 28 . -14.991 -8.839 3.581 1.00 65.07 28 A 1 ATOM 223 O O . LEU A 0 28 . -18.141 -8.290 4.510 1.00 65.07 28 A 1 ATOM 224 C CG . LEU A 0 28 . -13.895 -9.863 3.926 1.00 65.07 28 A 1 ATOM 225 C CD1 . LEU A 0 28 . -12.522 -9.208 3.765 1.00 65.07 28 A 1 ATOM 226 C CD2 . LEU A 0 28 . -14.024 -10.367 5.366 1.00 65.07 28 A 1 ATOM 227 N N . LEU A 0 29 . -17.717 -7.634 2.400 1.00 66.30 29 A 1 ATOM 228 C CA . LEU A 0 29 . -18.749 -6.598 2.379 1.00 66.30 29 A 1 ATOM 229 C C . LEU A 0 29 . -20.163 -7.193 2.518 1.00 66.30 29 A 1 ATOM 230 C CB . LEU A 0 29 . -18.623 -5.757 1.093 1.00 66.30 29 A 1 ATOM 231 O O . LEU A 0 29 . -20.960 -6.700 3.315 1.00 66.30 29 A 1 ATOM 232 C CG . LEU A 0 29 . -18.836 -4.255 1.367 1.00 66.30 29 A 1 ATOM 233 C CD1 . LEU A 0 29 . -17.486 -3.548 1.521 1.00 66.30 29 A 1 ATOM 234 C CD2 . LEU A 0 29 . -19.600 -3.588 0.226 1.00 66.30 29 A 1 ATOM 235 N N . ASN A 0 30 . -20.461 -8.284 1.804 1.00 65.66 30 A 1 ATOM 236 C CA . ASN A 0 30 . -21.768 -8.947 1.880 1.00 65.66 30 A 1 ATOM 237 C C . ASN A 0 30 . -22.054 -9.512 3.278 1.00 65.66 30 A 1 ATOM 238 C CB . ASN A 0 30 . -21.850 -10.048 0.809 1.00 65.66 30 A 1 ATOM 239 O O . ASN A 0 30 . -23.153 -9.326 3.800 1.00 65.66 30 A 1 ATOM 240 C CG . ASN A 0 30 . -22.123 -9.511 -0.584 1.00 65.66 30 A 1 ATOM 241 N ND2 . ASN A 0 30 . -22.018 -10.349 -1.589 1.00 65.66 30 A 1 ATOM 242 O OD1 . ASN A 0 30 . -22.456 -8.361 -0.806 1.00 65.66 30 A 1 ATOM 243 N N . VAL A 0 31 . -21.052 -10.114 3.929 1.00 62.54 31 A 1 ATOM 244 C CA . VAL A 0 31 . -21.185 -10.622 5.307 1.00 62.54 31 A 1 ATOM 245 C C . VAL A 0 31 . -21.495 -9.489 6.296 1.00 62.54 31 A 1 ATOM 246 C CB . VAL A 0 31 . -19.917 -11.409 5.701 1.00 62.54 31 A 1 ATOM 247 O O . VAL A 0 31 . -22.282 -9.676 7.229 1.00 62.54 31 A 1 ATOM 248 C CG1 . VAL A 0 31 . -19.864 -11.779 7.188 1.00 62.54 31 A 1 ATOM 249 C CG2 . VAL A 0 31 . -19.839 -12.724 4.910 1.00 62.54 31 A 1 ATOM 250 N N . THR A 0 32 . -20.945 -8.288 6.081 1.00 57.93 32 A 1 ATOM 251 C CA . THR A 0 32 . -21.271 -7.118 6.919 1.00 57.93 32 A 1 ATOM 252 C C . THR A 0 32 . -22.658 -6.532 6.640 1.00 57.93 32 A 1 ATOM 253 C CB . THR A 0 32 . -20.209 -6.011 6.825 1.00 57.93 32 A 1 ATOM 254 O O . THR A 0 32 . -23.237 -5.910 7.528 1.00 57.93 32 A 1 ATOM 255 C CG2 . THR A 0 32 . -18.851 -6.475 7.352 1.00 57.93 32 A 1 ATOM 256 O OG1 . THR A 0 32 . -20.011 -5.510 5.521 1.00 57.93 32 A 1 ATOM 257 N N . ALA A 0 33 . -23.211 -6.738 5.439 1.00 55.47 33 A 1 ATOM 258 C CA . ALA A 0 33 . -24.512 -6.197 5.049 1.00 55.47 33 A 1 ATOM 259 C C . ALA A 0 33 . -25.685 -7.033 5.584 1.00 55.47 33 A 1 ATOM 260 C CB . ALA A 0 33 . -24.551 -6.070 3.521 1.00 55.47 33 A 1 ATOM 261 O O . ALA A 0 33 . -26.661 -6.469 6.077 1.00 55.47 33 A 1 ATOM 262 N N . GLU A 0 34 . -25.588 -8.366 5.535 1.00 52.03 34 A 1 ATOM 263 C CA . GLU A 0 34 . -26.676 -9.254 5.982 1.00 52.03 34 A 1 ATOM 264 C C . GLU A 0 34 . -26.862 -9.270 7.502 1.00 52.03 34 A 1 ATOM 265 C CB . GLU A 0 34 . -26.433 -10.684 5.479 1.00 52.03 34 A 1 ATOM 266 O O . GLU A 0 34 . -27.932 -9.598 8.009 1.00 52.03 34 A 1 ATOM 267 C CG . GLU A 0 34 . -26.707 -10.795 3.973 1.00 52.03 34 A 1 ATOM 268 C CD . GLU A 0 34 . -26.589 -12.229 3.433 1.00 52.03 34 A 1 ATOM 269 O OE1 . GLU A 0 34 . -26.836 -12.395 2.217 1.00 52.03 34 A 1 ATOM 270 O OE2 . GLU A 0 34 . -26.245 -13.146 4.214 1.00 52.03 34 A 1 ATOM 271 N N . SER A 0 35 . -25.839 -8.886 8.259 1.00 49.52 35 A 1 ATOM 272 C CA . SER A 0 35 . -25.807 -9.138 9.694 1.00 49.52 35 A 1 ATOM 273 C C . SER A 0 35 . -26.250 -7.957 10.571 1.00 49.52 35 A 1 ATOM 274 C CB . SER A 0 35 . -24.473 -9.776 10.047 1.00 49.52 35 A 1 ATOM 275 O O . SER A 0 35 . -26.058 -7.998 11.789 1.00 49.52 35 A 1 ATOM 276 O OG . SER A 0 35 . -23.386 -8.947 9.678 1.00 49.52 35 A 1 ATOM 277 N N . GLN A 0 36 . -26.933 -6.951 9.993 1.00 54.04 36 A 1 ATOM 278 C CA . GLN A 0 36 . -27.504 -5.767 10.680 1.00 54.04 36 A 1 ATOM 279 C C . GLN A 0 36 . -28.178 -6.055 12.041 1.00 54.04 36 A 1 ATOM 280 C CB . GLN A 0 36 . -28.567 -5.090 9.783 1.00 54.04 36 A 1 ATOM 281 O O . GLN A 0 36 . -28.251 -5.162 12.886 1.00 54.04 36 A 1 ATOM 282 C CG . GLN A 0 36 . -28.013 -4.008 8.842 1.00 54.04 36 A 1 ATOM 283 C CD . GLN A 0 36 . -29.111 -3.138 8.223 1.00 54.04 36 A 1 ATOM 284 N NE2 . GLN A 0 36 . -28.754 -2.136 7.449 1.00 54.04 36 A 1 ATOM 285 O OE1 . GLN A 0 36 . -30.301 -3.301 8.434 1.00 54.04 36 A 1 ATOM 286 N N . ALA A 0 37 . -28.656 -7.280 12.270 1.00 51.61 37 A 1 ATOM 287 C CA . ALA A 0 37 . -29.360 -7.692 13.477 1.00 51.61 37 A 1 ATOM 288 C C . ALA A 0 37 . -28.533 -7.657 14.779 1.00 51.61 37 A 1 ATOM 289 C CB . ALA A 0 37 . -29.933 -9.088 13.216 1.00 51.61 37 A 1 ATOM 290 O O . ALA A 0 37 . -29.131 -7.567 15.848 1.00 51.61 37 A 1 ATOM 291 N N . SER A 0 38 . -27.195 -7.680 14.745 1.00 53.97 38 A 1 ATOM 292 C CA . SER A 0 38 . -26.397 -7.723 15.985 1.00 53.97 38 A 1 ATOM 293 C C . SER A 0 38 . -25.279 -6.685 15.986 1.00 53.97 38 A 1 ATOM 294 C CB . SER A 0 38 . -25.916 -9.156 16.282 1.00 53.97 38 A 1 ATOM 295 O O . SER A 0 38 . -24.109 -7.021 16.090 1.00 53.97 38 A 1 ATOM 296 O OG . SER A 0 38 . -25.644 -9.294 17.667 1.00 53.97 38 A 1 ATOM 297 N N . GLN A 0 39 . -25.613 -5.394 15.869 1.00 56.93 39 A 1 ATOM 298 C CA . GLN A 0 39 . -24.622 -4.304 15.785 1.00 56.93 39 A 1 ATOM 299 C C . GLN A 0 39 . -23.488 -4.381 16.823 1.00 56.93 39 A 1 ATOM 300 C CB . GLN A 0 39 . -25.301 -2.937 15.951 1.00 56.93 39 A 1 ATOM 301 O O . GLN A 0 39 . -22.365 -4.003 16.509 1.00 56.93 39 A 1 ATOM 302 C CG . GLN A 0 39 . -26.162 -2.525 14.749 1.00 56.93 39 A 1 ATOM 303 C CD . GLN A 0 39 . -26.517 -1.039 14.774 1.00 56.93 39 A 1 ATOM 304 N NE2 . GLN A 0 39 . -27.268 -0.565 13.805 1.00 56.93 39 A 1 ATOM 305 O OE1 . GLN A 0 39 . -26.132 -0.276 15.645 1.00 56.93 39 A 1 ATOM 306 N N . LYS A 0 40 . -23.747 -4.874 18.044 1.00 58.89 40 A 1 ATOM 307 C CA . LYS A 0 40 . -22.716 -5.016 19.088 1.00 58.89 40 A 1 ATOM 308 C C . LYS A 0 40 . -21.784 -6.199 18.842 1.00 58.89 40 A 1 ATOM 309 C CB . LYS A 0 40 . -23.352 -5.119 20.479 1.00 58.89 40 A 1 ATOM 310 O O . LYS A 0 40 . -20.570 -6.028 18.882 1.00 58.89 40 A 1 ATOM 311 C CG . LYS A 0 40 . -23.939 -3.778 20.935 1.00 58.89 40 A 1 ATOM 312 C CD . LYS A 0 40 . -24.441 -3.885 22.379 1.00 58.89 40 A 1 ATOM 313 C CE . LYS A 0 40 . -24.980 -2.529 22.846 1.00 58.89 40 A 1 ATOM 314 N NZ . LYS A 0 40 . -25.502 -2.605 24.234 1.00 58.89 40 A 1 ATOM 315 N N . GLU A 0 41 . -22.345 -7.371 18.570 1.00 63.24 41 A 1 ATOM 316 C CA . GLU A 0 41 . -21.578 -8.588 18.297 1.00 63.24 41 A 1 ATOM 317 C C . GLU A 0 41 . -20.829 -8.464 16.971 1.00 63.24 41 A 1 ATOM 318 C CB . GLU A 0 41 . -22.566 -9.749 18.285 1.00 63.24 41 A 1 ATOM 319 O O . GLU A 0 41 . -19.651 -8.794 16.880 1.00 63.24 41 A 1 ATOM 320 C CG . GLU A 0 41 . -21.938 -11.130 18.476 1.00 63.24 41 A 1 ATOM 321 C CD . GLU A 0 41 . -23.031 -12.188 18.703 1.00 63.24 41 A 1 ATOM 322 O OE1 . GLU A 0 41 . -22.674 -13.276 19.203 1.00 63.24 41 A 1 ATOM 323 O OE2 . GLU A 0 41 . -24.216 -11.878 18.411 1.00 63.24 41 A 1 ATOM 324 N N . LEU A 0 42 . -21.461 -7.828 15.985 1.00 62.87 42 A 1 ATOM 325 C CA . LEU A 0 42 . -20.815 -7.414 14.757 1.00 62.87 42 A 1 ATOM 326 C C . LEU A 0 42 . -19.702 -6.426 14.968 1.00 62.87 42 A 1 ATOM 327 C CB . LEU A 0 42 . -21.794 -6.723 13.818 1.00 62.87 42 A 1 ATOM 328 O O . LEU A 0 42 . -18.712 -6.545 14.267 1.00 62.87 42 A 1 ATOM 329 C CG . LEU A 0 42 . -22.794 -7.622 13.106 1.00 62.87 42 A 1 ATOM 330 C CD1 . LEU A 0 42 . -23.444 -6.678 12.093 1.00 62.87 42 A 1 ATOM 331 C CD2 . LEU A 0 42 . -22.097 -8.824 12.467 1.00 62.87 42 A 1 ATOM 332 N N . PHE A 0 43 . -19.820 -5.447 15.863 1.00 65.50 43 A 1 ATOM 333 C CA . PHE A 0 43 . -18.697 -4.543 16.088 1.00 65.50 43 A 1 ATOM 334 C C . PHE A 0 43 . -17.505 -5.319 16.646 1.00 65.50 43 A 1 ATOM 335 C CB . PHE A 0 43 . -19.086 -3.379 17.004 1.00 65.50 43 A 1 ATOM 336 O O . PHE A 0 43 . -16.374 -5.114 16.212 1.00 65.50 43 A 1 ATOM 337 C CG . PHE A 0 43 . -18.487 -2.073 16.540 1.00 65.50 43 A 1 ATOM 338 C CD1 . PHE A 0 43 . -17.203 -1.689 16.966 1.00 65.50 43 A 1 ATOM 339 C CD2 . PHE A 0 43 . -19.204 -1.258 15.643 1.00 65.50 43 A 1 ATOM 340 C CE1 . PHE A 0 43 . -16.645 -0.480 16.513 1.00 65.50 43 A 1 ATOM 341 C CE2 . PHE A 0 43 . -18.645 -0.051 15.189 1.00 65.50 43 A 1 ATOM 342 C CZ . PHE A 0 43 . -17.368 0.340 15.629 1.00 65.50 43 A 1 ATOM 343 N N . THR A 0 44 . -17.753 -6.260 17.559 1.00 68.70 44 A 1 ATOM 344 C CA . THR A 0 44 . -16.711 -7.128 18.115 1.00 68.70 44 A 1 ATOM 345 C C . THR A 0 44 . -16.096 -8.041 17.050 1.00 68.70 44 A 1 ATOM 346 C CB . THR A 0 44 . -17.266 -7.943 19.290 1.00 68.70 44 A 1 ATOM 347 O O . THR A 0 44 . -14.870 -8.061 16.907 1.00 68.70 44 A 1 ATOM 348 C CG2 . THR A 0 44 . -16.166 -8.704 20.026 1.00 68.70 44 A 1 ATOM 349 O OG1 . THR A 0 44 . -17.850 -7.077 20.239 1.00 68.70 44 A 1 ATOM 350 N N . GLU A 0 45 . -16.914 -8.732 16.256 1.00 69.52 45 A 1 ATOM 351 C CA . GLU A 0 45 . -16.440 -9.607 15.178 1.00 69.52 45 A 1 ATOM 352 C C . GLU A 0 45 . -15.801 -8.810 14.032 1.00 69.52 45 A 1 ATOM 353 C CB . GLU A 0 45 . -17.584 -10.506 14.672 1.00 69.52 45 A 1 ATOM 354 O O . GLU A 0 45 . -14.749 -9.188 13.531 1.00 69.52 45 A 1 ATOM 355 C CG . GLU A 0 45 . -17.971 -11.617 15.669 1.00 69.52 45 A 1 ATOM 356 C CD . GLU A 0 45 . -16.799 -12.554 16.036 1.00 69.52 45 A 1 ATOM 357 O OE1 . GLU A 0 45 . -16.719 -13.010 17.199 1.00 69.52 45 A 1 ATOM 358 O OE2 . GLU A 0 45 . -15.892 -12.772 15.195 1.00 69.52 45 A 1 ATOM 359 N N . SER A 0 46 . -16.333 -7.639 13.682 1.00 66.96 46 A 1 ATOM 360 C CA . SER A 0 46 . -15.759 -6.736 12.675 1.00 66.96 46 A 1 ATOM 361 C C . SER A 0 46 . -14.419 -6.177 13.125 1.00 66.96 46 A 1 ATOM 362 C CB . SER A 0 46 . -16.668 -5.549 12.341 1.00 66.96 46 A 1 ATOM 363 O O . SER A 0 46 . -13.499 -6.119 12.320 1.00 66.96 46 A 1 ATOM 364 O OG . SER A 0 46 . -17.892 -5.996 11.808 1.00 66.96 46 A 1 ATOM 365 N N . VAL A 0 47 . -14.248 -5.804 14.399 1.00 74.02 47 A 1 ATOM 366 C CA . VAL A 0 47 . -12.940 -5.376 14.932 1.00 74.02 47 A 1 ATOM 367 C C . VAL A 0 47 . -11.940 -6.530 14.893 1.00 74.02 47 A 1 ATOM 368 C CB . VAL A 0 47 . -13.075 -4.802 16.358 1.00 74.02 47 A 1 ATOM 369 O O . VAL A 0 47 . -10.767 -6.316 14.577 1.00 74.02 47 A 1 ATOM 370 C CG1 . VAL A 0 47 . -11.722 -4.627 17.070 1.00 74.02 47 A 1 ATOM 371 C CG2 . VAL A 0 47 . -13.723 -3.412 16.316 1.00 74.02 47 A 1 ATOM 372 N N . LYS A 0 48 . -12.380 -7.758 15.183 1.00 75.91 48 A 1 ATOM 373 C CA . LYS A 0 48 . -11.539 -8.957 15.094 1.00 75.91 48 A 1 ATOM 374 C C . LYS A 0 48 . -11.137 -9.250 13.647 1.00 75.91 48 A 1 ATOM 375 C CB . LYS A 0 48 . -12.299 -10.115 15.743 1.00 75.91 48 A 1 ATOM 376 O O . LYS A 0 48 . -9.947 -9.409 13.381 1.00 75.91 48 A 1 ATOM 377 C CG . LYS A 0 48 . -11.456 -11.382 15.923 1.00 75.91 48 A 1 ATOM 378 C CD . LYS A 0 48 . -12.373 -12.422 16.570 1.00 75.91 48 A 1 ATOM 379 C CE . LYS A 0 48 . -11.718 -13.785 16.768 1.00 75.91 48 A 1 ATOM 380 N NZ . LYS A 0 48 . -12.763 -14.730 17.233 1.00 75.91 48 A 1 ATOM 381 N N . LEU A 0 49 . -12.087 -9.212 12.713 1.00 72.24 49 A 1 ATOM 382 C CA . LEU A 0 49 . -11.834 -9.332 11.277 1.00 72.24 49 A 1 ATOM 383 C C . LEU A 0 49 . -10.918 -8.215 10.784 1.00 72.24 49 A 1 ATOM 384 C CB . LEU A 0 49 . -13.161 -9.307 10.497 1.00 72.24 49 A 1 ATOM 385 O O . LEU A 0 49 . -9.952 -8.495 10.087 1.00 72.24 49 A 1 ATOM 386 C CG . LEU A 0 49 . -14.019 -10.578 10.625 1.00 72.24 49 A 1 ATOM 387 C CD1 . LEU A 0 49 . -15.374 -10.337 9.960 1.00 72.24 49 A 1 ATOM 388 C CD2 . LEU A 0 49 . -13.361 -11.781 9.944 1.00 72.24 49 A 1 ATOM 389 N N . TRP A 0 50 . -11.150 -6.968 11.191 1.00 73.09 50 A 1 ATOM 390 C CA . TRP A 0 50 . -10.320 -5.830 10.812 1.00 73.09 50 A 1 ATOM 391 C C . TRP A 0 50 . -8.890 -5.981 11.321 1.00 73.09 50 A 1 ATOM 392 C CB . TRP A 0 50 . -10.931 -4.524 11.325 1.00 73.09 50 A 1 ATOM 393 O O . TRP A 0 50 . -7.945 -5.710 10.581 1.00 73.09 50 A 1 ATOM 394 C CG . TRP A 0 50 . -10.274 -3.317 10.742 1.00 73.09 50 A 1 ATOM 395 C CD1 . TRP A 0 50 . -9.416 -2.478 11.365 1.00 73.09 50 A 1 ATOM 396 C CD2 . TRP A 0 50 . -10.387 -2.836 9.371 1.00 73.09 50 A 1 ATOM 397 C CE2 . TRP A 0 50 . -9.563 -1.681 9.229 1.00 73.09 50 A 1 ATOM 398 C CE3 . TRP A 0 50 . -11.104 -3.267 8.234 1.00 73.09 50 A 1 ATOM 399 N NE1 . TRP A 0 50 . -8.996 -1.508 10.473 1.00 73.09 50 A 1 ATOM 400 C CH2 . TRP A 0 50 . -10.187 -1.433 6.905 1.00 73.09 50 A 1 ATOM 401 C CZ2 . TRP A 0 50 . -9.459 -0.981 8.019 1.00 73.09 50 A 1 ATOM 402 C CZ3 . TRP A 0 50 . -11.005 -2.573 7.014 1.00 73.09 50 A 1 ATOM 403 N N . LYS A 0 51 . -8.700 -6.475 12.551 1.00 77.59 51 A 1 ATOM 404 C CA . LYS A 0 51 . -7.370 -6.823 13.070 1.00 77.59 51 A 1 ATOM 405 C C . LYS A 0 51 . -6.712 -7.918 12.235 1.00 77.59 51 A 1 ATOM 406 C CB . LYS A 0 51 . -7.444 -7.245 14.543 1.00 77.59 51 A 1 ATOM 407 O O . LYS A 0 51 . -5.576 -7.725 11.811 1.00 77.59 51 A 1 ATOM 408 C CG . LYS A 0 51 . -7.522 -6.038 15.485 1.00 77.59 51 A 1 ATOM 409 C CD . LYS A 0 51 . -7.562 -6.527 16.936 1.00 77.59 51 A 1 ATOM 410 C CE . LYS A 0 51 . -7.624 -5.336 17.897 1.00 77.59 51 A 1 ATOM 411 N NZ . LYS A 0 51 . -7.643 -5.790 19.310 1.00 77.59 51 A 1 ATOM 412 N N . SER A 0 52 . -7.416 -9.009 11.933 1.00 77.27 52 A 1 ATOM 413 C CA . SER A 0 52 . -6.881 -10.090 11.094 1.00 77.27 52 A 1 ATOM 414 C C . SER A 0 52 . -6.545 -9.615 9.679 1.00 77.27 52 A 1 ATOM 415 C CB . SER A 0 52 . -7.878 -11.249 11.025 1.00 77.27 52 A 1 ATOM 416 O O . SER A 0 52 . -5.474 -9.929 9.167 1.00 77.27 52 A 1 ATOM 417 O OG . SER A 0 52 . -8.063 -11.806 12.312 1.00 77.27 52 A 1 ATOM 418 N N . ILE A 0 53 . -7.405 -8.800 9.065 1.00 77.94 53 A 1 ATOM 419 C CA . ILE A 0 53 . -7.163 -8.173 7.761 1.00 77.94 53 A 1 ATOM 420 C C . ILE A 0 53 . -5.952 -7.251 7.845 1.00 77.94 53 A 1 ATOM 421 C CB . ILE A 0 53 . -8.413 -7.409 7.269 1.00 77.94 53 A 1 ATOM 422 O O . ILE A 0 53 . -5.099 -7.316 6.974 1.00 77.94 53 A 1 ATOM 423 C CG1 . ILE A 0 53 . -9.541 -8.402 6.909 1.00 77.94 53 A 1 ATOM 424 C CG2 . ILE A 0 53 . -8.092 -6.530 6.042 1.00 77.94 53 A 1 ATOM 425 C CD1 . ILE A 0 53 . -10.918 -7.735 6.810 1.00 77.94 53 A 1 ATOM 426 N N . THR A 0 54 . -5.827 -6.439 8.894 1.00 75.62 54 A 1 ATOM 427 C CA . THR A 0 54 . -4.682 -5.534 9.075 1.00 75.62 54 A 1 ATOM 428 C C . THR A 0 54 . -3.380 -6.312 9.261 1.00 75.62 54 A 1 ATOM 429 C CB . THR A 0 54 . -4.896 -4.599 10.273 1.00 75.62 54 A 1 ATOM 430 O O . THR A 0 54 . -2.348 -5.922 8.722 1.00 75.62 54 A 1 ATOM 431 C CG2 . THR A 0 54 . -3.766 -3.577 10.421 1.00 75.62 54 A 1 ATOM 432 O OG1 . THR A 0 54 . -6.072 -3.844 10.122 1.00 75.62 54 A 1 ATOM 433 N N . GLU A 0 55 . -3.391 -7.423 9.997 1.00 79.84 55 A 1 ATOM 434 C CA . GLU A 0 55 . -2.219 -8.293 10.150 1.00 79.84 55 A 1 ATOM 435 C C . GLU A 0 55 . -1.837 -8.986 8.841 1.00 79.84 55 A 1 ATOM 436 C CB . GLU A 0 55 . -2.484 -9.354 11.219 1.00 79.84 55 A 1 ATOM 437 O O . GLU A 0 55 . -0.659 -9.004 8.470 1.00 79.84 55 A 1 ATOM 438 C CG . GLU A 0 55 . -2.383 -8.776 12.635 1.00 79.84 55 A 1 ATOM 439 C CD . GLU A 0 55 . -2.642 -9.830 13.719 1.00 79.84 55 A 1 ATOM 440 O OE1 . GLU A 0 55 . -2.673 -9.416 14.899 1.00 79.84 55 A 1 ATOM 441 O OE2 . GLU A 0 55 . -2.765 -11.028 13.373 1.00 79.84 55 A 1 ATOM 442 N N . LEU A 0 56 . -2.826 -9.514 8.115 1.00 75.42 56 A 1 ATOM 443 C CA . LEU A 0 56 . -2.628 -10.066 6.777 1.00 75.42 56 A 1 ATOM 444 C C . LEU A 0 56 . -2.104 -8.996 5.823 1.00 75.42 56 A 1 ATOM 445 C CB . LEU A 0 56 . -3.947 -10.655 6.252 1.00 75.42 56 A 1 ATOM 446 O O . LEU A 0 56 . -1.157 -9.257 5.087 1.00 75.42 56 A 1 ATOM 447 C CG . LEU A 0 56 . -4.344 -11.995 6.894 1.00 75.42 56 A 1 ATOM 448 C CD1 . LEU A 0 56 . -5.752 -12.374 6.435 1.00 75.42 56 A 1 ATOM 449 C CD2 . LEU A 0 56 . -3.388 -13.123 6.497 1.00 75.42 56 A 1 ATOM 450 N N . TRP A 0 57 . -2.652 -7.784 5.887 1.00 73.14 57 A 1 ATOM 451 C CA . TRP A 0 57 . -2.226 -6.647 5.087 1.00 73.14 57 A 1 ATOM 452 C C . TRP A 0 57 . -0.797 -6.243 5.419 1.00 73.14 57 A 1 ATOM 453 C CB . TRP A 0 57 . -3.177 -5.462 5.265 1.00 73.14 57 A 1 ATOM 454 O O . TRP A 0 57 . -0.019 -6.054 4.503 1.00 73.14 57 A 1 ATOM 455 C CG . TRP A 0 57 . -2.940 -4.381 4.264 1.00 73.14 57 A 1 ATOM 456 C CD1 . TRP A 0 57 . -2.174 -3.280 4.436 1.00 73.14 57 A 1 ATOM 457 C CD2 . TRP A 0 57 . -3.415 -4.329 2.887 1.00 73.14 57 A 1 ATOM 458 C CE2 . TRP A 0 57 . -2.904 -3.144 2.278 1.00 73.14 57 A 1 ATOM 459 C CE3 . TRP A 0 57 . -4.215 -5.172 2.088 1.00 73.14 57 A 1 ATOM 460 N NE1 . TRP A 0 57 . -2.159 -2.542 3.269 1.00 73.14 57 A 1 ATOM 461 C CH2 . TRP A 0 57 . -3.983 -3.657 0.179 1.00 73.14 57 A 1 ATOM 462 C CZ2 . TRP A 0 57 . -3.177 -2.803 0.947 1.00 73.14 57 A 1 ATOM 463 C CZ3 . TRP A 0 57 . -4.494 -4.831 0.751 1.00 73.14 57 A 1 ATOM 464 N N . LYS A 0 58 . -0.393 -6.209 6.694 1.00 78.05 58 A 1 ATOM 465 C CA . LYS A 0 58 . 1.004 -5.945 7.084 1.00 78.05 58 A 1 ATOM 466 C C . LYS A 0 58 . 1.963 -7.008 6.554 1.00 78.05 58 A 1 ATOM 467 C CB . LYS A 0 58 . 1.120 -5.864 8.611 1.00 78.05 58 A 1 ATOM 468 O O . LYS A 0 58 . 3.035 -6.675 6.052 1.00 78.05 58 A 1 ATOM 469 C CG . LYS A 0 58 . 0.644 -4.514 9.157 1.00 78.05 58 A 1 ATOM 470 C CD . LYS A 0 58 . 0.767 -4.507 10.684 1.00 78.05 58 A 1 ATOM 471 C CE . LYS A 0 58 . 0.305 -3.156 11.234 1.00 78.05 58 A 1 ATOM 472 N NZ . LYS A 0 58 . 0.439 -3.100 12.711 1.00 78.05 58 A 1 ATOM 473 N N . ARG A 0 59 . 1.599 -8.293 6.645 1.00 74.73 59 A 1 ATOM 474 C CA . ARG A 0 59 . 2.415 -9.391 6.089 1.00 74.73 59 A 1 ATOM 475 C C . ARG A 0 59 . 2.487 -9.312 4.566 1.00 74.73 59 A 1 ATOM 476 C CB . ARG A 0 59 . 1.851 -10.751 6.521 1.00 74.73 59 A 1 ATOM 477 O O . ARG A 0 59 . 3.557 -9.512 3.994 1.00 74.73 59 A 1 ATOM 478 C CG . ARG A 0 59 . 2.112 -11.059 8.001 1.00 74.73 59 A 1 ATOM 479 C CD . ARG A 0 59 . 1.512 -12.426 8.351 1.00 74.73 59 A 1 ATOM 480 N NE . ARG A 0 59 . 1.679 -12.749 9.781 1.00 74.73 59 A 1 ATOM 481 N NH1 . ARG A 0 59 . 3.443 -14.225 9.635 1.00 74.73 59 A 1 ATOM 482 N NH2 . ARG A 0 59 . 2.515 -13.797 11.617 1.00 74.73 59 A 1 ATOM 483 C CZ . ARG A 0 59 . 2.543 -13.585 10.332 1.00 74.73 59 A 1 ATOM 484 N N . PHE A 0 60 . 1.365 -9.008 3.921 1.00 73.72 60 A 1 ATOM 485 C CA . PHE A 0 60 . 1.277 -8.821 2.480 1.00 73.72 60 A 1 ATOM 486 C C . PHE A 0 60 . 2.088 -7.608 2.033 1.00 73.72 60 A 1 ATOM 487 C CB . PHE A 0 60 . -0.189 -8.699 2.061 1.00 73.72 60 A 1 ATOM 488 O O . PHE A 0 60 . 2.918 -7.751 1.152 1.00 73.72 60 A 1 ATOM 489 C CG . PHE A 0 60 . -0.363 -8.552 0.565 1.00 73.72 60 A 1 ATOM 490 C CD1 . PHE A 0 60 . -0.575 -7.282 -0.003 1.00 73.72 60 A 1 ATOM 491 C CD2 . PHE A 0 60 . -0.305 -9.690 -0.261 1.00 73.72 60 A 1 ATOM 492 C CE1 . PHE A 0 60 . -0.747 -7.155 -1.392 1.00 73.72 60 A 1 ATOM 493 C CE2 . PHE A 0 60 . -0.474 -9.561 -1.651 1.00 73.72 60 A 1 ATOM 494 C CZ . PHE A 0 60 . -0.703 -8.294 -2.215 1.00 73.72 60 A 1 ATOM 495 N N . GLU A 0 61 . 1.935 -6.458 2.684 1.00 72.32 61 A 1 ATOM 496 C CA . GLU A 0 61 . 2.698 -5.234 2.450 1.00 72.32 61 A 1 ATOM 497 C C . GLU A 0 61 . 4.193 -5.496 2.596 1.00 72.32 61 A 1 ATOM 498 C CB . GLU A 0 61 . 2.252 -4.141 3.437 1.00 72.32 61 A 1 ATOM 499 O O . GLU A 0 61 . 4.961 -5.105 1.724 1.00 72.32 61 A 1 ATOM 500 C CG . GLU A 0 61 . 2.966 -2.806 3.169 1.00 72.32 61 A 1 ATOM 501 C CD . GLU A 0 61 . 2.690 -1.724 4.223 1.00 72.32 61 A 1 ATOM 502 O OE1 . GLU A 0 61 . 3.325 -0.653 4.081 1.00 72.32 61 A 1 ATOM 503 O OE2 . GLU A 0 61 . 1.909 -1.977 5.168 1.00 72.32 61 A 1 ATOM 504 N N . HIS A 0 62 . 4.616 -6.206 3.645 1.00 77.37 62 A 1 ATOM 505 C CA . HIS A 0 62 . 6.018 -6.563 3.826 1.00 77.37 62 A 1 ATOM 506 C C . HIS A 0 62 . 6.528 -7.453 2.684 1.00 77.37 62 A 1 ATOM 507 C CB . HIS A 0 62 . 6.208 -7.227 5.192 1.00 77.37 62 A 1 ATOM 508 O O . HIS A 0 62 . 7.533 -7.130 2.050 1.00 77.37 62 A 1 ATOM 509 C CG . HIS A 0 62 . 7.662 -7.453 5.502 1.00 77.37 62 A 1 ATOM 510 C CD2 . HIS A 0 62 . 8.356 -8.628 5.392 1.00 77.37 62 A 1 ATOM 511 N ND1 . HIS A 0 62 . 8.556 -6.486 5.900 1.00 77.37 62 A 1 ATOM 512 C CE1 . HIS A 0 62 . 9.760 -7.065 6.037 1.00 77.37 62 A 1 ATOM 513 N NE2 . HIS A 0 62 . 9.685 -8.369 5.737 1.00 77.37 62 A 1 ATOM 514 N N . ASN A 0 63 . 5.810 -8.531 2.359 1.00 71.04 63 A 1 ATOM 515 C CA . ASN A 0 63 . 6.191 -9.438 1.274 1.00 71.04 63 A 1 ATOM 516 C C . ASN A 0 63 . 6.170 -8.752 -0.098 1.00 71.04 63 A 1 ATOM 517 C CB . ASN A 0 63 . 5.256 -10.659 1.283 1.00 71.04 63 A 1 ATOM 518 O O . ASN A 0 63 . 7.070 -8.967 -0.908 1.00 71.04 63 A 1 ATOM 519 C CG . ASN A 0 63 . 5.664 -11.716 2.291 1.00 71.04 63 A 1 ATOM 520 N ND2 . ASN A 0 63 . 4.874 -12.753 2.437 1.00 71.04 63 A 1 ATOM 521 O OD1 . ASN A 0 63 . 6.706 -11.672 2.917 1.00 71.04 63 A 1 ATOM 522 N N . CYS A 0 64 . 5.169 -7.916 -0.361 1.00 69.67 64 A 1 ATOM 523 C CA . CYS A 0 64 . 5.071 -7.105 -1.564 1.00 69.67 64 A 1 ATOM 524 C C . CYS A 0 64 . 6.207 -6.102 -1.621 1.00 69.67 64 A 1 ATOM 525 C CB . CYS A 0 64 . 3.715 -6.398 -1.625 1.00 69.67 64 A 1 ATOM 526 O O . CYS A 0 64 . 6.863 -6.037 -2.645 1.00 69.67 64 A 1 ATOM 527 S SG . CYS A 0 64 . 2.501 -7.577 -2.261 1.00 69.67 64 A 1 ATOM 528 N N . ARG A 0 65 . 6.513 -5.382 -0.541 1.00 70.50 65 A 1 ATOM 529 C CA . ARG A 0 65 . 7.631 -4.434 -0.493 1.00 70.50 65 A 1 ATOM 530 C C . ARG A 0 65 . 8.960 -5.130 -0.773 1.00 70.50 65 A 1 ATOM 531 C CB . ARG A 0 65 . 7.618 -3.719 0.866 1.00 70.50 65 A 1 ATOM 532 O O . ARG A 0 65 . 9.746 -4.601 -1.548 1.00 70.50 65 A 1 ATOM 533 C CG . ARG A 0 65 . 8.744 -2.687 1.012 1.00 70.50 65 A 1 ATOM 534 C CD . ARG A 0 65 . 8.698 -2.023 2.396 1.00 70.50 65 A 1 ATOM 535 N NE . ARG A 0 65 . 8.105 -0.670 2.363 1.00 70.50 65 A 1 ATOM 536 N NH1 . ARG A 0 65 . 10.048 0.553 2.552 1.00 70.50 65 A 1 ATOM 537 N NH2 . ARG A 0 65 . 8.084 1.602 2.488 1.00 70.50 65 A 1 ATOM 538 C CZ . ARG A 0 65 . 8.746 0.482 2.464 1.00 70.50 65 A 1 ATOM 539 N N . VAL A 0 66 . 9.202 -6.307 -0.195 1.00 74.06 66 A 1 ATOM 540 C CA . VAL A 0 66 . 10.424 -7.089 -0.449 1.00 74.06 66 A 1 ATOM 541 C C . VAL A 0 66 . 10.485 -7.555 -1.903 1.00 74.06 66 A 1 ATOM 542 C CB . VAL A 0 66 . 10.531 -8.276 0.528 1.00 74.06 66 A 1 ATOM 543 O O . VAL A 0 66 . 11.506 -7.360 -2.558 1.00 74.06 66 A 1 ATOM 544 C CG1 . VAL A 0 66 . 11.684 -9.224 0.173 1.00 74.06 66 A 1 ATOM 545 C CG2 . VAL A 0 66 . 10.784 -7.773 1.956 1.00 74.06 66 A 1 ATOM 546 N N . LYS A 0 67 . 9.391 -8.115 -2.437 1.00 73.19 67 A 1 ATOM 547 C CA . LYS A 0 67 . 9.329 -8.550 -3.840 1.00 73.19 67 A 1 ATOM 548 C C . LYS A 0 67 . 9.487 -7.378 -4.801 1.00 73.19 67 A 1 ATOM 549 C CB . LYS A 0 67 . 8.025 -9.306 -4.123 1.00 73.19 67 A 1 ATOM 550 O O . LYS A 0 67 . 10.336 -7.441 -5.672 1.00 73.19 67 A 1 ATOM 551 C CG . LYS A 0 67 . 8.056 -10.729 -3.552 1.00 73.19 67 A 1 ATOM 552 C CD . LYS A 0 67 . 6.762 -11.467 -3.914 1.00 73.19 67 A 1 ATOM 553 C CE . LYS A 0 67 . 6.821 -12.909 -3.401 1.00 73.19 67 A 1 ATOM 554 N NZ . LYS A 0 67 . 5.656 -13.700 -3.873 1.00 73.19 67 A 1 ATOM 555 N N . ILE A 0 68 . 8.714 -6.310 -4.619 1.00 68.90 68 A 1 ATOM 556 C CA . ILE A 0 68 . 8.768 -5.077 -5.413 1.00 68.90 68 A 1 ATOM 557 C C . ILE A 0 68 . 10.181 -4.511 -5.376 1.00 68.90 68 A 1 ATOM 558 C CB . ILE A 0 68 . 7.720 -4.053 -4.909 1.00 68.90 68 A 1 ATOM 559 O O . ILE A 0 68 . 10.710 -4.203 -6.430 1.00 68.90 68 A 1 ATOM 560 C CG1 . ILE A 0 68 . 6.296 -4.528 -5.282 1.00 68.90 68 A 1 ATOM 561 C CG2 . ILE A 0 68 . 7.928 -2.637 -5.473 1.00 68.90 68 A 1 ATOM 562 C CD1 . ILE A 0 68 . 5.179 -3.746 -4.576 1.00 68.90 68 A 1 ATOM 563 N N . ARG A 0 69 . 10.826 -4.431 -4.206 1.00 67.18 69 A 1 ATOM 564 C CA . ARG A 0 69 . 12.213 -3.965 -4.108 1.00 67.18 69 A 1 ATOM 565 C C . ARG A 0 69 . 13.161 -4.837 -4.923 1.00 67.18 69 A 1 ATOM 566 C CB . ARG A 0 69 . 12.642 -3.911 -2.640 1.00 67.18 69 A 1 ATOM 567 O O . ARG A 0 69 . 13.923 -4.295 -5.707 1.00 67.18 69 A 1 ATOM 568 C CG . ARG A 0 69 . 14.003 -3.228 -2.495 1.00 67.18 69 A 1 ATOM 569 C CD . ARG A 0 69 . 14.436 -3.258 -1.031 1.00 67.18 69 A 1 ATOM 570 N NE . ARG A 0 69 . 15.375 -2.165 -0.756 1.00 67.18 69 A 1 ATOM 571 N NH1 . ARG A 0 69 . 15.230 -2.210 1.528 1.00 67.18 69 A 1 ATOM 572 N NH2 . ARG A 0 69 . 16.300 -0.527 0.520 1.00 67.18 69 A 1 ATOM 573 C CZ . ARG A 0 69 . 15.628 -1.636 0.422 1.00 67.18 69 A 1 ATOM 574 N N . LYS A 0 70 . 13.065 -6.161 -4.781 1.00 72.72 70 A 1 ATOM 575 C CA . LYS A 0 70 . 13.898 -7.102 -5.534 1.00 72.72 70 A 1 ATOM 576 C C . LYS A 0 70 . 13.667 -6.985 -7.046 1.00 72.72 70 A 1 ATOM 577 C CB . LYS A 0 70 . 13.665 -8.521 -4.999 1.00 72.72 70 A 1 ATOM 578 O O . LYS A 0 70 . 14.634 -6.907 -7.784 1.00 72.72 70 A 1 ATOM 579 C CG . LYS A 0 70 . 14.669 -9.489 -5.628 1.00 72.72 70 A 1 ATOM 580 C CD . LYS A 0 70 . 14.553 -10.902 -5.054 1.00 72.72 70 A 1 ATOM 581 C CE . LYS A 0 70 . 15.521 -11.753 -5.877 1.00 72.72 70 A 1 ATOM 582 N NZ . LYS A 0 70 . 15.562 -13.171 -5.467 1.00 72.72 70 A 1 ATOM 583 N N . TYR A 0 71 . 12.413 -6.884 -7.489 1.00 60.93 71 A 1 ATOM 584 C CA . TYR A 0 71 . 12.070 -6.642 -8.895 1.00 60.93 71 A 1 ATOM 585 C C . TYR A 0 71 . 12.581 -5.278 -9.388 1.00 60.93 71 A 1 ATOM 586 C CB . TYR A 0 71 . 10.546 -6.756 -9.094 1.00 60.93 71 A 1 ATOM 587 O O . TYR A 0 71 . 13.116 -5.184 -10.485 1.00 60.93 71 A 1 ATOM 588 C CG . TYR A 0 71 . 10.026 -8.178 -9.242 1.00 60.93 71 A 1 ATOM 589 C CD1 . TYR A 0 71 . 10.352 -8.907 -10.400 1.00 60.93 71 A 1 ATOM 590 C CD2 . TYR A 0 71 . 9.201 -8.766 -8.262 1.00 60.93 71 A 1 ATOM 591 C CE1 . TYR A 0 71 . 9.888 -10.225 -10.565 1.00 60.93 71 A 1 ATOM 592 C CE2 . TYR A 0 71 . 8.753 -10.093 -8.409 1.00 60.93 71 A 1 ATOM 593 O OH . TYR A 0 71 . 8.663 -12.105 -9.707 1.00 60.93 71 A 1 ATOM 594 C CZ . TYR A 0 71 . 9.099 -10.825 -9.562 1.00 60.93 71 A 1 ATOM 595 N N . LEU A 0 72 . 12.466 -4.215 -8.581 1.00 65.43 72 A 1 ATOM 596 C CA . LEU A 0 72 . 12.966 -2.882 -8.938 1.00 65.43 72 A 1 ATOM 597 C C . LEU A 0 72 . 14.495 -2.825 -9.012 1.00 65.43 72 A 1 ATOM 598 C CB . LEU A 0 72 . 12.476 -1.813 -7.940 1.00 65.43 72 A 1 ATOM 599 O O . LEU A 0 72 . 15.016 -2.056 -9.818 1.00 65.43 72 A 1 ATOM 600 C CG . LEU A 0 72 . 11.252 -1.023 -8.423 1.00 65.43 72 A 1 ATOM 601 C CD1 . LEU A 0 72 . 9.962 -1.828 -8.359 1.00 65.43 72 A 1 ATOM 602 C CD2 . LEU A 0 72 . 11.065 0.209 -7.539 1.00 65.43 72 A 1 ATOM 603 N N . GLU A 0 73 . 15.187 -3.575 -8.153 1.00 69.73 73 A 1 ATOM 604 C CA . GLU A 0 73 . 16.646 -3.705 -8.160 1.00 69.73 73 A 1 ATOM 605 C C . GLU A 0 73 . 17.112 -4.546 -9.357 1.00 69.73 73 A 1 ATOM 606 C CB . GLU A 0 73 . 17.138 -4.290 -6.816 1.00 69.73 73 A 1 ATOM 607 O O . GLU A 0 73 . 17.999 -4.105 -10.081 1.00 69.73 73 A 1 ATOM 608 C CG . GLU A 0 73 . 17.129 -3.243 -5.679 1.00 69.73 73 A 1 ATOM 609 C CD . GLU A 0 73 . 17.435 -3.799 -4.270 1.00 69.73 73 A 1 ATOM 610 O OE1 . GLU A 0 73 . 17.268 -3.019 -3.290 1.00 69.73 73 A 1 ATOM 611 O OE2 . GLU A 0 73 . 17.757 -5.000 -4.134 1.00 69.73 73 A 1 ATOM 612 N N . GLU A 0 74 . 16.480 -5.696 -9.623 1.00 67.79 74 A 1 ATOM 613 C CA . GLU A 0 74 . 16.802 -6.553 -10.777 1.00 67.79 74 A 1 ATOM 614 C C . GLU A 0 74 . 16.597 -5.822 -12.114 1.00 67.79 74 A 1 ATOM 615 C CB . GLU A 0 74 . 15.975 -7.858 -10.735 1.00 67.79 74 A 1 ATOM 616 O O . GLU A 0 74 . 17.469 -5.874 -12.981 1.00 67.79 74 A 1 ATOM 617 C CG . GLU A 0 74 . 16.552 -8.883 -9.736 1.00 67.79 74 A 1 ATOM 618 C CD . GLU A 0 74 . 15.731 -10.183 -9.583 1.00 67.79 74 A 1 ATOM 619 O OE1 . GLU A 0 74 . 16.113 -11.013 -8.715 1.00 67.79 74 A 1 ATOM 620 O OE2 . GLU A 0 74 . 14.700 -10.367 -10.267 1.00 67.79 74 A 1 ATOM 621 N N . ASP A 0 75 . 15.500 -5.078 -12.265 1.00 62.37 75 A 1 ATOM 622 C CA . ASP A 0 75 . 15.210 -4.345 -13.503 1.00 62.37 75 A 1 ATOM 623 C C . ASP A 0 75 . 15.878 -2.951 -13.571 1.00 62.37 75 A 1 ATOM 624 C CB . ASP A 0 75 . 13.689 -4.238 -13.695 1.00 62.37 75 A 1 ATOM 625 O O . ASP A 0 75 . 15.646 -2.206 -14.528 1.00 62.37 75 A 1 ATOM 626 C CG . ASP A 0 75 . 12.967 -5.530 -14.090 1.00 62.37 75 A 1 ATOM 627 O OD1 . ASP A 0 75 . 13.587 -6.368 -14.779 1.00 62.37 75 A 1 ATOM 628 O OD2 . ASP A 0 75 . 11.745 -5.607 -13.813 1.00 62.37 75 A 1 ATOM 629 N N . ASN A 0 76 . 16.662 -2.538 -12.559 1.00 62.74 76 A 1 ATOM 630 C CA . ASN A 0 76 . 17.163 -1.156 -12.394 1.00 62.74 76 A 1 ATOM 631 C C . ASN A 0 76 . 16.061 -0.076 -12.538 1.00 62.74 76 A 1 ATOM 632 C CB . ASN A 0 76 . 18.381 -0.908 -13.305 1.00 62.74 76 A 1 ATOM 633 O O . ASN A 0 76 . 16.314 1.093 -12.843 1.00 62.74 76 A 1 ATOM 634 C CG . ASN A 0 76 . 19.639 -1.553 -12.767 1.00 62.74 76 A 1 ATOM 635 N ND2 . ASN A 0 76 . 20.246 -2.450 -13.506 1.00 62.74 76 A 1 ATOM 636 O OD1 . ASN A 0 76 . 20.103 -1.246 -11.685 1.00 62.74 76 A 1 ATOM 637 N N . LEU A 0 77 . 14.801 -0.449 -12.302 1.00 64.49 77 A 1 ATOM 638 C CA . LEU A 0 77 . 13.644 0.434 -12.445 1.00 64.49 77 A 1 ATOM 639 C C . LEU A 0 77 . 13.565 1.466 -11.322 1.00 64.49 77 A 1 ATOM 640 C CB . LEU A 0 77 . 12.357 -0.406 -12.499 1.00 64.49 77 A 1 ATOM 641 O O . LEU A 0 77 . 12.838 2.447 -11.472 1.00 64.49 77 A 1 ATOM 642 C CG . LEU A 0 77 . 12.090 -1.040 -13.873 1.00 64.49 77 A 1 ATOM 643 C CD1 . LEU A 0 77 . 11.031 -2.132 -13.737 1.00 64.49 77 A 1 ATOM 644 C CD2 . LEU A 0 77 . 11.557 -0.018 -14.885 1.00 64.49 77 A 1 ATOM 645 N N . GLY A 0 78 . 14.295 1.273 -10.218 1.00 63.04 78 A 1 ATOM 646 C CA . GLY A 0 78 . 14.320 2.200 -9.086 1.00 63.04 78 A 1 ATOM 647 C C . GLY A 0 78 . 14.637 3.639 -9.498 1.00 63.04 78 A 1 ATOM 648 O O . GLY A 0 78 . 13.883 4.552 -9.156 1.00 63.04 78 A 1 ATOM 649 N N . GLU A 0 79 . 15.681 3.842 -10.304 1.00 68.00 79 A 1 ATOM 650 C CA . GLU A 0 79 . 16.055 5.177 -10.789 1.00 68.00 79 A 1 ATOM 651 C C . GLU A 0 79 . 15.004 5.759 -11.737 1.00 68.00 79 A 1 ATOM 652 C CB . GLU A 0 79 . 17.401 5.130 -11.517 1.00 68.00 79 A 1 ATOM 653 O O . GLU A 0 79 . 14.628 6.929 -11.630 1.00 68.00 79 A 1 ATOM 654 C CG . GLU A 0 79 . 18.568 4.807 -10.576 1.00 68.00 79 A 1 ATOM 655 C CD . GLU A 0 79 . 19.933 5.040 -11.242 1.00 68.00 79 A 1 ATOM 656 O OE1 . GLU A 0 79 . 20.924 5.094 -10.484 1.00 68.00 79 A 1 ATOM 657 O OE2 . GLU A 0 79 . 19.965 5.207 -12.484 1.00 68.00 79 A 1 ATOM 658 N N . LYS A 0 80 . 14.461 4.931 -12.636 1.00 69.37 80 A 1 ATOM 659 C CA . LYS A 0 80 . 13.443 5.366 -13.598 1.00 69.37 80 A 1 ATOM 660 C C . LYS A 0 80 . 12.135 5.737 -12.902 1.00 69.37 80 A 1 ATOM 661 C CB . LYS A 0 80 . 13.258 4.270 -14.652 1.00 69.37 80 A 1 ATOM 662 O O . LYS A 0 80 . 11.520 6.745 -13.248 1.00 69.37 80 A 1 ATOM 663 C CG . LYS A 0 80 . 12.466 4.777 -15.865 1.00 69.37 80 A 1 ATOM 664 C CD . LYS A 0 80 . 12.440 3.692 -16.947 1.00 69.37 80 A 1 ATOM 665 C CE . LYS A 0 80 . 11.718 4.184 -18.204 1.00 69.37 80 A 1 ATOM 666 N NZ . LYS A 0 80 . 11.715 3.128 -19.248 1.00 69.37 80 A 1 ATOM 667 N N . LEU A 0 81 . 11.721 4.961 -11.903 1.00 68.47 81 A 1 ATOM 668 C CA . LEU A 0 81 . 10.531 5.245 -11.111 1.00 68.47 81 A 1 ATOM 669 C C . LEU A 0 81 . 10.734 6.504 -10.263 1.00 68.47 81 A 1 ATOM 670 C CB . LEU A 0 81 . 10.175 4.017 -10.253 1.00 68.47 81 A 1 ATOM 671 O O . LEU A 0 81 . 9.846 7.353 -10.237 1.00 68.47 81 A 1 ATOM 672 C CG . LEU A 0 81 . 8.733 4.068 -9.717 1.00 68.47 81 A 1 ATOM 673 C CD1 . LEU A 0 81 . 7.712 3.772 -10.821 1.00 68.47 81 A 1 ATOM 674 C CD2 . LEU A 0 81 . 8.535 3.030 -8.616 1.00 68.47 81 A 1 ATOM 675 N N . ALA A 0 82 . 11.908 6.683 -9.648 1.00 74.08 82 A 1 ATOM 676 C CA . ALA A 0 82 . 12.255 7.913 -8.937 1.00 74.08 82 A 1 ATOM 677 C C . ALA A 0 82 . 12.210 9.137 -9.867 1.00 74.08 82 A 1 ATOM 678 C CB . ALA A 0 82 . 13.637 7.744 -8.295 1.00 74.08 82 A 1 ATOM 679 O O . ALA A 0 82 . 11.635 10.167 -9.505 1.00 74.08 82 A 1 ATOM 680 N N . ALA A 0 83 . 12.721 9.013 -11.095 1.00 76.73 83 A 1 ATOM 681 C CA . ALA A 0 83 . 12.629 10.064 -12.101 1.00 76.73 83 A 1 ATOM 682 C C . ALA A 0 83 . 11.166 10.386 -12.452 1.00 76.73 83 A 1 ATOM 683 C CB . ALA A 0 83 . 13.443 9.654 -13.333 1.00 76.73 83 A 1 ATOM 684 O O . ALA A 0 83 . 10.778 11.557 -12.424 1.00 76.73 83 A 1 ATOM 685 N N . VAL A 0 84 . 10.329 9.371 -12.701 1.00 76.75 84 A 1 ATOM 686 C CA . VAL A 0 84 . 8.895 9.550 -12.995 1.00 76.75 84 A 1 ATOM 687 C C . VAL A 0 84 . 8.159 10.208 -11.826 1.00 76.75 84 A 1 ATOM 688 C CB . VAL A 0 84 . 8.236 8.209 -13.380 1.00 76.75 84 A 1 ATOM 689 O O . VAL A 0 84 . 7.422 11.172 -12.041 1.00 76.75 84 A 1 ATOM 690 C CG1 . VAL A 0 84 . 6.708 8.313 -13.495 1.00 76.75 84 A 1 ATOM 691 C CG2 . VAL A 0 84 . 8.747 7.726 -14.744 1.00 76.75 84 A 1 ATOM 692 N N . VAL A 0 85 . 8.390 9.753 -10.591 1.00 73.43 85 A 1 ATOM 693 C CA . VAL A 0 85 . 7.802 10.355 -9.384 1.00 73.43 85 A 1 ATOM 694 C C . VAL A 0 85 . 8.260 11.804 -9.235 1.00 73.43 85 A 1 ATOM 695 C CB . VAL A 0 85 . 8.129 9.525 -8.126 1.00 73.43 85 A 1 ATOM 696 O O . VAL A 0 85 . 7.430 12.672 -8.982 1.00 73.43 85 A 1 ATOM 697 C CG1 . VAL A 0 85 . 7.693 10.228 -6.832 1.00 73.43 85 A 1 ATOM 698 C CG2 . VAL A 0 85 . 7.401 8.174 -8.165 1.00 73.43 85 A 1 ATOM 699 N N . SER A 0 86 . 9.540 12.109 -9.474 1.00 79.23 86 A 1 ATOM 700 C CA . SER A 0 86 . 10.049 13.486 -9.413 1.00 79.23 86 A 1 ATOM 701 C C . SER A 0 86 . 9.365 14.406 -10.431 1.00 79.23 86 A 1 ATOM 702 C CB . SER A 0 86 . 11.574 13.518 -9.590 1.00 79.23 86 A 1 ATOM 703 O O . SER A 0 86 . 9.010 15.538 -10.104 1.00 79.23 86 A 1 ATOM 704 O OG . SER A 0 86 . 11.963 13.528 -10.952 1.00 79.23 86 A 1 ATOM 705 N N . ILE A 0 87 . 9.118 13.917 -11.652 1.00 81.81 87 A 1 ATOM 706 C CA . ILE A 0 87 . 8.411 14.664 -12.699 1.00 81.81 87 A 1 ATOM 707 C C . ILE A 0 87 . 6.952 14.873 -12.291 1.00 81.81 87 A 1 ATOM 708 C CB . ILE A 0 87 . 8.526 13.930 -14.056 1.00 81.81 87 A 1 ATOM 709 O O . ILE A 0 87 . 6.414 15.969 -12.465 1.00 81.81 87 A 1 ATOM 710 C CG1 . ILE A 0 87 . 9.985 13.960 -14.567 1.00 81.81 87 A 1 ATOM 711 C CG2 . ILE A 0 87 . 7.596 14.562 -15.113 1.00 81.81 87 A 1 ATOM 712 C CD1 . ILE A 0 87 . 10.257 12.945 -15.685 1.00 81.81 87 A 1 ATOM 713 N N . TYR A 0 88 . 6.318 13.843 -11.729 1.00 75.42 88 A 1 ATOM 714 C CA . TYR A 0 88 . 4.934 13.911 -11.276 1.00 75.42 88 A 1 ATOM 715 C C . TYR A 0 88 . 4.762 14.905 -10.121 1.00 75.42 88 A 1 ATOM 716 C CB . TYR A 0 88 . 4.449 12.507 -10.908 1.00 75.42 88 A 1 ATOM 717 O O . TYR A 0 88 . 3.901 15.779 -10.201 1.00 75.42 88 A 1 ATOM 718 C CG . TYR A 0 88 . 2.946 12.438 -10.754 1.00 75.42 88 A 1 ATOM 719 C CD1 . TYR A 0 88 . 2.362 12.361 -9.476 1.00 75.42 88 A 1 ATOM 720 C CD2 . TYR A 0 88 . 2.132 12.459 -11.903 1.00 75.42 88 A 1 ATOM 721 C CE1 . TYR A 0 88 . 0.962 12.291 -9.348 1.00 75.42 88 A 1 ATOM 722 C CE2 . TYR A 0 88 . 0.731 12.426 -11.774 1.00 75.42 88 A 1 ATOM 723 O OH . TYR A 0 88 . -1.209 12.323 -10.379 1.00 75.42 88 A 1 ATOM 724 C CZ . TYR A 0 88 . 0.144 12.347 -10.496 1.00 75.42 88 A 1 ATOM 725 N N . VAL A 0 89 . 5.634 14.852 -9.109 1.00 80.92 89 A 1 ATOM 726 C CA . VAL A 0 89 . 5.654 15.801 -7.983 1.00 80.92 89 A 1 ATOM 727 C C . VAL A 0 89 . 5.927 17.222 -8.472 1.00 80.92 89 A 1 ATOM 728 C CB . VAL A 0 89 . 6.679 15.376 -6.913 1.00 80.92 89 A 1 ATOM 729 O O . VAL A 0 89 . 5.191 18.132 -8.106 1.00 80.92 89 A 1 ATOM 730 C CG1 . VAL A 0 89 . 6.865 16.443 -5.825 1.00 80.92 89 A 1 ATOM 731 C CG2 . VAL A 0 89 . 6.223 14.089 -6.212 1.00 80.92 89 A 1 ATOM 732 N N . LYS A 0 90 . 6.903 17.432 -9.368 1.00 85.56 90 A 1 ATOM 733 C CA . LYS A 0 90 . 7.148 18.757 -9.971 1.00 85.56 90 A 1 ATOM 734 C C . LYS A 0 90 . 5.915 19.292 -10.699 1.00 85.56 90 A 1 ATOM 735 C CB . LYS A 0 90 . 8.339 18.696 -10.942 1.00 85.56 90 A 1 ATOM 736 O O . LYS A 0 90 . 5.589 20.470 -10.577 1.00 85.56 90 A 1 ATOM 737 C CG . LYS A 0 90 . 9.688 18.736 -10.214 1.00 85.56 90 A 1 ATOM 738 C CD . LYS A 0 90 . 10.844 18.633 -11.220 1.00 85.56 90 A 1 ATOM 739 C CE . LYS A 0 90 . 12.186 18.681 -10.479 1.00 85.56 90 A 1 ATOM 740 N NZ . LYS A 0 90 . 13.342 18.612 -11.410 1.00 85.56 90 A 1 ATOM 741 N N . ARG A 0 91 . 5.213 18.439 -11.451 1.00 81.79 91 A 1 ATOM 742 C CA . ARG A 0 91 . 3.996 18.828 -12.176 1.00 81.79 91 A 1 ATOM 743 C C . ARG A 0 91 . 2.837 19.125 -11.223 1.00 81.79 91 A 1 ATOM 744 C CB . ARG A 0 91 . 3.653 17.736 -13.200 1.00 81.79 91 A 1 ATOM 745 O O . ARG A 0 91 . 2.084 20.059 -11.483 1.00 81.79 91 A 1 ATOM 746 C CG . ARG A 0 91 . 2.553 18.190 -14.171 1.00 81.79 91 A 1 ATOM 747 C CD . ARG A 0 91 . 2.190 17.097 -15.184 1.00 81.79 91 A 1 ATOM 748 N NE . ARG A 0 91 . 3.262 16.851 -16.170 1.00 81.79 91 A 1 ATOM 749 N NH1 . ARG A 0 91 . 2.068 15.458 -17.554 1.00 81.79 91 A 1 ATOM 750 N NH2 . ARG A 0 91 . 4.162 15.996 -18.085 1.00 81.79 91 A 1 ATOM 751 C CZ . ARG A 0 91 . 3.160 16.106 -17.259 1.00 81.79 91 A 1 ATOM 752 N N . LEU A 0 92 . 2.692 18.359 -10.142 1.00 80.56 92 A 1 ATOM 753 C CA . LEU A 0 92 . 1.685 18.611 -9.110 1.00 80.56 92 A 1 ATOM 754 C C . LEU A 0 92 . 1.965 19.900 -8.342 1.00 80.56 92 A 1 ATOM 755 C CB . LEU A 0 92 . 1.594 17.425 -8.141 1.00 80.56 92 A 1 ATOM 756 O O . LEU A 0 92 . 1.052 20.710 -8.228 1.00 80.56 92 A 1 ATOM 757 C CG . LEU A 0 92 . 0.802 16.215 -8.662 1.00 80.56 92 A 1 ATOM 758 C CD1 . LEU A 0 92 . 0.836 15.136 -7.583 1.00 80.56 92 A 1 ATOM 759 C CD2 . LEU A 0 92 . -0.668 16.547 -8.951 1.00 80.56 92 A 1 ATOM 760 N N . ASN A 0 93 . 3.207 20.132 -7.912 1.00 83.53 93 A 1 ATOM 761 C CA . ASN A 0 93 . 3.603 21.384 -7.264 1.00 83.53 93 A 1 ATOM 762 C C . ASN A 0 93 . 3.324 22.575 -8.175 1.00 83.53 93 A 1 ATOM 763 C CB . ASN A 0 93 . 5.081 21.331 -6.847 1.00 83.53 93 A 1 ATOM 764 O O . ASN A 0 93 . 2.677 23.516 -7.747 1.00 83.53 93 A 1 ATOM 765 C CG . ASN A 0 93 . 5.308 20.512 -5.591 1.00 83.53 93 A 1 ATOM 766 N ND2 . ASN A 0 93 . 6.546 20.317 -5.204 1.00 83.53 93 A 1 ATOM 767 O OD1 . ASN A 0 93 . 4.402 20.032 -4.938 1.00 83.53 93 A 1 ATOM 768 N N . LYS A 0 94 . 3.656 22.483 -9.470 1.00 85.63 94 A 1 ATOM 769 C CA . LYS A 0 94 . 3.310 23.537 -10.432 1.00 85.63 94 A 1 ATOM 770 C C . LYS A 0 94 . 1.798 23.801 -10.507 1.00 85.63 94 A 1 ATOM 771 C CB . LYS A 0 94 . 3.910 23.188 -11.802 1.00 85.63 94 A 1 ATOM 772 O O . LYS A 0 94 . 1.389 24.946 -10.647 1.00 85.63 94 A 1 ATOM 773 C CG . LYS A 0 94 . 3.748 24.355 -12.785 1.00 85.63 94 A 1 ATOM 774 C CD . LYS A 0 94 . 4.452 24.093 -14.120 1.00 85.63 94 A 1 ATOM 775 C CE . LYS A 0 94 . 4.262 25.339 -14.995 1.00 85.63 94 A 1 ATOM 776 N NZ . LYS A 0 94 . 4.953 25.236 -16.304 1.00 85.63 94 A 1 ATOM 777 N N . ARG A 0 95 . 0.953 22.764 -10.435 1.00 81.58 95 A 1 ATOM 778 C CA . ARG A 0 95 . -0.515 22.929 -10.414 1.00 81.58 95 A 1 ATOM 779 C C . ARG A 0 95 . -1.016 23.531 -9.102 1.00 81.58 95 A 1 ATOM 780 C CB . ARG A 0 95 . -1.230 21.602 -10.697 1.00 81.58 95 A 1 ATOM 781 O O . ARG A 0 95 . -1.966 24.301 -9.142 1.00 81.58 95 A 1 ATOM 782 C CG . ARG A 0 95 . -1.074 21.150 -12.155 1.00 81.58 95 A 1 ATOM 783 C CD . ARG A 0 95 . -1.747 19.790 -12.383 1.00 81.58 95 A 1 ATOM 784 N NE . ARG A 0 95 . -3.218 19.908 -12.458 1.00 81.58 95 A 1 ATOM 785 N NH1 . ARG A 0 95 . -3.748 17.681 -12.228 1.00 81.58 95 A 1 ATOM 786 N NH2 . ARG A 0 95 . -5.365 19.167 -12.615 1.00 81.58 95 A 1 ATOM 787 C CZ . ARG A 0 95 . -4.098 18.922 -12.430 1.00 81.58 95 A 1 ATOM 788 N N . LEU A 0 96 . -0.406 23.169 -7.977 1.00 79.96 96 A 1 ATOM 789 C CA . LEU A 0 96 . -0.714 23.729 -6.661 1.00 79.96 96 A 1 ATOM 790 C C . LEU A 0 96 . -0.302 25.199 -6.569 1.00 79.96 96 A 1 ATOM 791 C CB . LEU A 0 96 . -0.032 22.873 -5.578 1.00 79.96 96 A 1 ATOM 792 O O . LEU A 0 96 . -1.119 26.008 -6.153 1.00 79.96 96 A 1 ATOM 793 C CG . LEU A 0 96 . -1.005 21.865 -4.947 1.00 79.96 96 A 1 ATOM 794 C CD1 . LEU A 0 96 . -0.250 20.667 -4.375 1.00 79.96 96 A 1 ATOM 795 C CD2 . LEU A 0 96 . -1.809 22.525 -3.825 1.00 79.96 96 A 1 ATOM 796 N N . ASP A 0 97 . 0.896 25.550 -7.037 1.00 82.71 97 A 1 ATOM 797 C CA . ASP A 0 97 . 1.387 26.930 -7.061 1.00 82.71 97 A 1 ATOM 798 C C . ASP A 0 97 . 0.502 27.825 -7.934 1.00 82.71 97 A 1 ATOM 799 C CB . ASP A 0 97 . 2.836 26.975 -7.576 1.00 82.71 97 A 1 ATOM 800 O O . ASP A 0 97 . 0.166 28.928 -7.519 1.00 82.71 97 A 1 ATOM 801 C CG . ASP A 0 97 . 3.880 26.437 -6.591 1.00 82.71 97 A 1 ATOM 802 O OD1 . ASP A 0 97 . 3.586 26.368 -5.378 1.00 82.71 97 A 1 ATOM 803 O OD2 . ASP A 0 97 . 4.981 26.085 -7.079 1.00 82.71 97 A 1 ATOM 804 N N . MET A 0 98 . 0.056 27.340 -9.104 1.00 79.25 98 A 1 ATOM 805 C CA . MET A 0 98 . -0.894 28.085 -9.944 1.00 79.25 98 A 1 ATOM 806 C C . MET A 0 98 . -2.207 28.358 -9.197 1.00 79.25 98 A 1 ATOM 807 C CB . MET A 0 98 . -1.164 27.353 -11.268 1.00 79.25 98 A 1 ATOM 808 O O . MET A 0 98 . -2.633 29.507 -9.133 1.00 79.25 98 A 1 ATOM 809 C CG . MET A 0 98 . 0.024 27.458 -12.236 1.00 79.25 98 A 1 ATOM 810 S SD . MET A 0 98 . -0.202 26.727 -13.893 1.00 79.25 98 A 1 ATOM 811 C CE . MET A 0 98 . -0.731 25.044 -13.499 1.00 79.25 98 A 1 ATOM 812 N N . ARG A 0 99 . -2.797 27.339 -8.555 1.00 76.72 99 A 1 ATOM 813 C CA . ARG A 0 99 . -4.042 27.507 -7.784 1.00 76.72 99 A 1 ATOM 814 C C . ARG A 0 99 . -3.869 28.418 -6.566 1.00 76.72 99 A 1 ATOM 815 C CB . ARG A 0 99 . -4.585 26.145 -7.341 1.00 76.72 99 A 1 ATOM 816 O O . ARG A 0 99 . -4.748 29.216 -6.286 1.00 76.72 99 A 1 ATOM 817 C CG . ARG A 0 99 . -5.143 25.338 -8.516 1.00 76.72 99 A 1 ATOM 818 C CD . ARG A 0 99 . -5.797 24.063 -7.968 1.00 76.72 99 A 1 ATOM 819 N NE . ARG A 0 99 . -6.309 23.172 -9.028 1.00 76.72 99 A 1 ATOM 820 N NH1 . ARG A 0 99 . -8.063 24.495 -9.723 1.00 76.72 99 A 1 ATOM 821 N NH2 . ARG A 0 99 . -7.805 22.463 -10.589 1.00 76.72 99 A 1 ATOM 822 C CZ . ARG A 0 99 . -7.380 23.389 -9.774 1.00 76.72 99 A 1 ATOM 823 N N . LEU A 0 100 . -2.741 28.324 -5.860 1.00 74.75 100 A 1 ATOM 824 C CA . LEU A 0 100 . -2.434 29.196 -4.721 1.00 74.75 100 A 1 ATOM 825 C C . LEU A 0 100 . -2.155 30.643 -5.147 1.00 74.75 100 A 1 ATOM 826 C CB . LEU A 0 100 . -1.222 28.629 -3.958 1.00 74.75 100 A 1 ATOM 827 O O . LEU A 0 100 . -2.397 31.561 -4.368 1.00 74.75 100 A 1 ATOM 828 C CG . LEU A 0 100 . -1.554 27.444 -3.036 1.00 74.75 100 A 1 ATOM 829 C CD1 . LEU A 0 100 . -0.257 26.781 -2.566 1.00 74.75 100 A 1 ATOM 830 C CD2 . LEU A 0 100 . -2.328 27.890 -1.792 1.00 74.75 100 A 1 ATOM 831 N N . SER A 0 101 . -1.624 30.860 -6.355 1.00 72.20 101 A 1 ATOM 832 C CA . SER A 0 101 . -1.426 32.207 -6.899 1.00 72.20 101 A 1 ATOM 833 C C . SER A 0 101 . -2.727 32.852 -7.376 1.00 72.20 101 A 1 ATOM 834 C CB . SER A 0 101 . -0.365 32.206 -8.004 1.00 72.20 101 A 1 ATOM 835 O O . SER A 0 101 . -2.877 34.057 -7.214 1.00 72.20 101 A 1 ATOM 836 O OG . SER A 0 101 . -0.747 31.510 -9.178 1.00 72.20 101 A 1 ATOM 837 N N . GLU A 0 102 . -3.664 32.057 -7.907 1.00 69.35 102 A 1 ATOM 838 C CA . GLU A 0 102 . -5.019 32.508 -8.255 1.00 69.35 102 A 1 ATOM 839 C C . GLU A 0 102 . -5.774 32.963 -6.996 1.00 69.35 102 A 1 ATOM 840 C CB . GLU A 0 102 . -5.776 31.380 -8.991 1.00 69.35 102 A 1 ATOM 841 O O . GLU A 0 102 . -6.293 34.072 -6.974 1.00 69.35 102 A 1 ATOM 842 C CG . GLU A 0 102 . -5.298 31.181 -10.445 1.00 69.35 102 A 1 ATOM 843 C CD . GLU A 0 102 . -5.832 29.905 -11.139 1.00 69.35 102 A 1 ATOM 844 O OE1 . GLU A 0 102 . -5.565 29.755 -12.356 1.00 69.35 102 A 1 ATOM 845 O OE2 . GLU A 0 102 . -6.422 29.015 -10.476 1.00 69.35 102 A 1 ATOM 846 N N . ASP A 0 103 . -5.718 32.177 -5.916 1.00 66.10 103 A 1 ATOM 847 C CA . ASP A 0 103 . -6.402 32.465 -4.641 1.00 66.10 103 A 1 ATOM 848 C C . ASP A 0 103 . -5.860 33.714 -3.910 1.00 66.10 103 A 1 ATOM 849 C CB . ASP A 0 103 . -6.258 31.212 -3.757 1.00 66.10 103 A 1 ATOM 850 O O . ASP A 0 103 . -6.514 34.261 -3.033 1.00 66.10 103 A 1 ATOM 851 C CG . ASP A 0 103 . -7.380 31.010 -2.730 1.00 66.10 103 A 1 ATOM 852 O OD1 . ASP A 0 103 . -8.557 31.044 -3.143 1.00 66.10 103 A 1 ATOM 853 O OD2 . ASP A 0 103 . -7.042 30.628 -1.583 1.00 66.10 103 A 1 ATOM 854 N N . ARG A 0 104 . -4.646 34.179 -4.249 1.00 60.60 104 A 1 ATOM 855 C CA . ARG A 0 104 . -4.050 35.412 -3.691 1.00 60.60 104 A 1 ATOM 856 C C . ARG A 0 104 . -4.254 36.638 -4.593 1.00 60.60 104 A 1 ATOM 857 C CB . ARG A 0 104 . -2.566 35.158 -3.370 1.00 60.60 104 A 1 ATOM 858 O O . ARG A 0 104 . -3.874 37.741 -4.206 1.00 60.60 104 A 1 ATOM 859 C CG . ARG A 0 104 . -1.999 36.156 -2.342 1.00 60.60 104 A 1 ATOM 860 C CD . ARG A 0 104 . -0.490 36.003 -2.150 1.00 60.60 104 A 1 ATOM 861 N NE . ARG A 0 104 . -0.151 34.804 -1.365 1.00 60.60 104 A 1 ATOM 862 N NH1 . ARG A 0 104 . 2.110 35.152 -1.294 1.00 60.60 104 A 1 ATOM 863 N NH2 . ARG A 0 104 . 1.222 33.411 -0.209 1.00 60.60 104 A 1 ATOM 864 C CZ . ARG A 0 104 . 1.054 34.461 -0.960 1.00 60.60 104 A 1 ATOM 865 N N . ALA A 0 105 . -4.736 36.438 -5.818 1.00 58.95 105 A 1 ATOM 866 C CA . ALA A 0 105 . -4.998 37.518 -6.765 1.00 58.95 105 A 1 ATOM 867 C C . ALA A 0 105 . -6.446 38.038 -6.692 1.00 58.95 105 A 1 ATOM 868 C CB . ALA A 0 105 . -4.613 37.036 -8.169 1.00 58.95 105 A 1 ATOM 869 O O . ALA A 0 105 . -6.718 39.092 -7.268 1.00 58.95 105 A 1 ATOM 870 N N . GLU A 0 106 . -7.337 37.326 -5.994 1.00 49.47 106 A 1 ATOM 871 C CA . GLU A 0 106 . -8.639 37.831 -5.529 1.00 49.47 106 A 1 ATOM 872 C C . GLU A 0 106 . -8.502 38.612 -4.213 1.00 49.47 106 A 1 ATOM 873 C CB . GLU A 0 106 . -9.651 36.671 -5.402 1.00 49.47 106 A 1 ATOM 874 O O . GLU A 0 106 . -9.188 39.654 -4.093 1.00 49.47 106 A 1 ATOM 875 C CG . GLU A 0 106 . -10.112 36.132 -6.772 1.00 49.47 106 A 1 ATOM 876 C CD . GLU A 0 106 . -11.266 35.103 -6.710 1.00 49.47 106 A 1 ATOM 877 O OE1 . GLU A 0 106 . -11.959 34.950 -7.749 1.00 49.47 106 A 1 ATOM 878 O OE2 . GLU A 0 106 . -11.481 34.459 -5.657 1.00 49.47 106 A 1 ATOM 879 O OXT . GLU A 0 106 . -7.679 38.190 -3.368 1.00 49.47 106 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 68.55 # loop_ _atom_type.symbol C N O S #