data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 SER 0 3 ILE 0 4 ILE 0 5 ILE 0 6 GLU 0 7 ASN 0 8 LEU 0 9 ILE 0 10 VAL 0 11 ILE 0 12 ASN 0 13 PHE 0 14 GLY 0 15 GLY 0 16 ILE 0 17 SER 0 18 LEU 0 19 LEU 0 20 LYS 0 21 LEU 0 22 ILE 0 23 LEU 0 24 ILE 0 25 ILE 0 26 MET 0 27 GLU 0 28 LYS 0 29 LEU 0 30 ILE 0 31 LYS 0 32 MET 0 33 ASN 0 34 LEU 0 35 LYS 0 36 ASN 0 37 ILE 0 38 TRP 0 39 ILE 0 40 ASN 0 41 ILE 0 42 VAL 0 43 HIS 0 44 ASN 0 45 LEU 0 46 VAL 0 47 VAL 0 48 LYS 0 49 MET 0 50 LEU 0 51 LYS 0 52 LYS 0 53 HIS 0 54 LEU 0 55 ASN 0 56 ILE 0 57 VAL 0 58 ILE 0 59 LEU 0 60 ILE 0 61 ILE 0 62 MET 0 63 GLU 0 64 LEU 0 65 LEU 0 66 ASN 0 67 LEU 0 68 LYS 0 69 ASN 0 70 LEU 0 71 LYS 0 72 SER 0 73 ILE 0 74 CYS 0 75 PHE 0 76 VAL 0 77 ASN 0 78 GLU 0 79 LYS 0 80 LEU 0 81 LEU 0 82 ILE # 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 . 21.864 19.969 28.010 1.00 51.79 1 A 1 ATOM 2 C CA . MET A 0 1 . 21.500 18.532 28.009 1.00 51.79 1 A 1 ATOM 3 C C . MET A 0 1 . 19.993 18.255 28.154 1.00 51.79 1 A 1 ATOM 4 C CB . MET A 0 1 . 22.315 17.736 29.045 1.00 51.79 1 A 1 ATOM 5 O O . MET A 0 1 . 19.615 17.105 28.003 1.00 51.79 1 A 1 ATOM 6 C CG . MET A 0 1 . 23.548 17.073 28.418 1.00 51.79 1 A 1 ATOM 7 S SD . MET A 0 1 . 24.207 15.759 29.473 1.00 51.79 1 A 1 ATOM 8 C CE . MET A 0 1 . 25.701 15.280 28.566 1.00 51.79 1 A 1 ATOM 9 N N . SER A 0 2 . 19.111 19.246 28.353 1.00 57.27 2 A 1 ATOM 10 C CA . SER A 0 2 . 17.665 18.995 28.556 1.00 57.27 2 A 1 ATOM 11 C C . SER A 0 2 . 16.875 18.603 27.291 1.00 57.27 2 A 1 ATOM 12 C CB . SER A 0 2 . 17.022 20.214 29.231 1.00 57.27 2 A 1 ATOM 13 O O . SER A 0 2 . 15.916 17.847 27.387 1.00 57.27 2 A 1 ATOM 14 O OG . SER A 0 2 . 17.864 20.673 30.279 1.00 57.27 2 A 1 ATOM 15 N N . ILE A 0 3 . 17.314 19.025 26.098 1.00 70.52 3 A 1 ATOM 16 C CA . ILE A 0 3 . 16.582 18.821 24.825 1.00 70.52 3 A 1 ATOM 17 C C . ILE A 0 3 . 16.525 17.338 24.399 1.00 70.52 3 A 1 ATOM 18 C CB . ILE A 0 3 . 17.216 19.719 23.727 1.00 70.52 3 A 1 ATOM 19 O O . ILE A 0 3 . 15.560 16.890 23.786 1.00 70.52 3 A 1 ATOM 20 C CG1 . ILE A 0 3 . 17.116 21.218 24.113 1.00 70.52 3 A 1 ATOM 21 C CG2 . ILE A 0 3 . 16.561 19.494 22.352 1.00 70.52 3 A 1 ATOM 22 C CD1 . ILE A 0 3 . 18.008 22.145 23.277 1.00 70.52 3 A 1 ATOM 23 N N . ILE A 0 4 . 17.541 16.539 24.747 1.00 72.84 4 A 1 ATOM 24 C CA . ILE A 0 4 . 17.603 15.119 24.355 1.00 72.84 4 A 1 ATOM 25 C C . ILE A 0 4 . 16.563 14.292 25.126 1.00 72.84 4 A 1 ATOM 26 C CB . ILE A 0 4 . 19.042 14.571 24.527 1.00 72.84 4 A 1 ATOM 27 O O . ILE A 0 4 . 15.955 13.386 24.560 1.00 72.84 4 A 1 ATOM 28 C CG1 . ILE A 0 4 . 20.025 15.341 23.610 1.00 72.84 4 A 1 ATOM 29 C CG2 . ILE A 0 4 . 19.103 13.063 24.214 1.00 72.84 4 A 1 ATOM 30 C CD1 . ILE A 0 4 . 21.506 15.052 23.889 1.00 72.84 4 A 1 ATOM 31 N N . ILE A 0 5 . 16.323 14.626 26.399 1.00 71.93 5 A 1 ATOM 32 C CA . ILE A 0 5 . 15.350 13.922 27.246 1.00 71.93 5 A 1 ATOM 33 C C . ILE A 0 5 . 13.924 14.214 26.765 1.00 71.93 5 A 1 ATOM 34 C CB . ILE A 0 5 . 15.565 14.289 28.734 1.00 71.93 5 A 1 ATOM 35 O O . ILE A 0 5 . 13.108 13.299 26.681 1.00 71.93 5 A 1 ATOM 36 C CG1 . ILE A 0 5 . 16.974 13.835 29.190 1.00 71.93 5 A 1 ATOM 37 C CG2 . ILE A 0 5 . 14.480 13.653 29.623 1.00 71.93 5 A 1 ATOM 38 C CD1 . ILE A 0 5 . 17.359 14.278 30.608 1.00 71.93 5 A 1 ATOM 39 N N . GLU A 0 6 . 13.642 15.457 26.376 1.00 64.70 6 A 1 ATOM 40 C CA . GLU A 0 6 . 12.328 15.860 25.868 1.00 64.70 6 A 1 ATOM 41 C C . GLU A 0 6 . 11.986 15.135 24.555 1.00 64.70 6 A 1 ATOM 42 C CB . GLU A 0 6 . 12.319 17.391 25.741 1.00 64.70 6 A 1 ATOM 43 O O . GLU A 0 6 . 10.916 14.536 24.437 1.00 64.70 6 A 1 ATOM 44 C CG . GLU A 0 6 . 10.918 17.990 25.913 1.00 64.70 6 A 1 ATOM 45 C CD . GLU A 0 6 . 10.947 19.522 26.053 1.00 64.70 6 A 1 ATOM 46 O OE1 . GLU A 0 6 . 9.889 20.074 26.427 1.00 64.70 6 A 1 ATOM 47 O OE2 . GLU A 0 6 . 12.021 20.126 25.817 1.00 64.70 6 A 1 ATOM 48 N N . ASN A 0 7 . 12.942 15.040 23.623 1.00 63.89 7 A 1 ATOM 49 C CA . ASN A 0 7 . 12.764 14.265 22.391 1.00 63.89 7 A 1 ATOM 50 C C . ASN A 0 7 . 12.584 12.759 22.654 1.00 63.89 7 A 1 ATOM 51 C CB . ASN A 0 7 . 13.949 14.532 21.445 1.00 63.89 7 A 1 ATOM 52 O O . ASN A 0 7 . 11.777 12.116 21.981 1.00 63.89 7 A 1 ATOM 53 C CG . ASN A 0 7 . 13.854 15.868 20.726 1.00 63.89 7 A 1 ATOM 54 N ND2 . ASN A 0 7 . 14.832 16.196 19.915 1.00 63.89 7 A 1 ATOM 55 O OD1 . ASN A 0 7 . 12.904 16.618 20.834 1.00 63.89 7 A 1 ATOM 56 N N . LEU A 0 8 . 13.285 12.185 23.640 1.00 66.69 8 A 1 ATOM 57 C CA . LEU A 0 8 . 13.142 10.767 23.991 1.00 66.69 8 A 1 ATOM 58 C C . LEU A 0 8 . 11.749 10.461 24.569 1.00 66.69 8 A 1 ATOM 59 C CB . LEU A 0 8 . 14.261 10.377 24.974 1.00 66.69 8 A 1 ATOM 60 O O . LEU A 0 8 . 11.151 9.435 24.240 1.00 66.69 8 A 1 ATOM 61 C CG . LEU A 0 8 . 14.455 8.855 25.111 1.00 66.69 8 A 1 ATOM 62 C CD1 . LEU A 0 8 . 15.203 8.274 23.907 1.00 66.69 8 A 1 ATOM 63 C CD2 . LEU A 0 8 . 15.266 8.540 26.368 1.00 66.69 8 A 1 ATOM 64 N N . ILE A 0 9 . 11.205 11.366 25.391 1.00 65.40 9 A 1 ATOM 65 C CA . ILE A 0 9 . 9.856 11.254 25.962 1.00 65.40 9 A 1 ATOM 66 C C . ILE A 0 9 . 8.797 11.380 24.862 1.00 65.40 9 A 1 ATOM 67 C CB . ILE A 0 9 . 9.671 12.289 27.097 1.00 65.40 9 A 1 ATOM 68 O O . ILE A 0 9 . 7.883 10.560 24.822 1.00 65.40 9 A 1 ATOM 69 C CG1 . ILE A 0 9 . 10.561 11.900 28.301 1.00 65.40 9 A 1 ATOM 70 C CG2 . ILE A 0 9 . 8.212 12.403 27.576 1.00 65.40 9 A 1 ATOM 71 C CD1 . ILE A 0 9 . 10.659 12.994 29.371 1.00 65.40 9 A 1 ATOM 72 N N . VAL A 0 10 . 8.934 12.330 23.930 1.00 65.28 10 A 1 ATOM 73 C CA . VAL A 0 10 . 7.992 12.482 22.804 1.00 65.28 10 A 1 ATOM 74 C C . VAL A 0 10 . 7.979 11.230 21.914 1.00 65.28 10 A 1 ATOM 75 C CB . VAL A 0 10 . 8.303 13.764 22.003 1.00 65.28 10 A 1 ATOM 76 O O . VAL A 0 10 . 6.904 10.767 21.527 1.00 65.28 10 A 1 ATOM 77 C CG1 . VAL A 0 10 . 7.437 13.895 20.743 1.00 65.28 10 A 1 ATOM 78 C CG2 . VAL A 0 10 . 8.034 15.016 22.850 1.00 65.28 10 A 1 ATOM 79 N N . ILE A 0 11 . 9.142 10.614 21.660 1.00 64.08 11 A 1 ATOM 80 C CA . ILE A 0 11 . 9.234 9.354 20.901 1.00 64.08 11 A 1 ATOM 81 C C . ILE A 0 11 . 8.586 8.188 21.675 1.00 64.08 11 A 1 ATOM 82 C CB . ILE A 0 11 . 10.703 9.075 20.494 1.00 64.08 11 A 1 ATOM 83 O O . ILE A 0 11 . 7.803 7.430 21.094 1.00 64.08 11 A 1 ATOM 84 C CG1 . ILE A 0 11 . 11.206 10.146 19.493 1.00 64.08 11 A 1 ATOM 85 C CG2 . ILE A 0 11 . 10.848 7.680 19.854 1.00 64.08 11 A 1 ATOM 86 C CD1 . ILE A 0 11 . 12.733 10.178 19.333 1.00 64.08 11 A 1 ATOM 87 N N . ASN A 0 12 . 8.832 8.061 22.986 1.00 60.05 12 A 1 ATOM 88 C CA . ASN A 0 12 . 8.259 6.979 23.800 1.00 60.05 12 A 1 ATOM 89 C C . ASN A 0 12 . 6.742 7.116 24.015 1.00 60.05 12 A 1 ATOM 90 C CB . ASN A 0 12 . 9.011 6.872 25.143 1.00 60.05 12 A 1 ATOM 91 O O . ASN A 0 12 . 6.017 6.124 23.914 1.00 60.05 12 A 1 ATOM 92 C CG . ASN A 0 12 . 10.162 5.879 25.119 1.00 60.05 12 A 1 ATOM 93 N ND2 . ASN A 0 12 . 10.916 5.795 26.190 1.00 60.05 12 A 1 ATOM 94 O OD1 . ASN A 0 12 . 10.382 5.133 24.182 1.00 60.05 12 A 1 ATOM 95 N N . PHE A 0 13 . 6.233 8.325 24.266 1.00 66.56 13 A 1 ATOM 96 C CA . PHE A 0 13 . 4.791 8.549 24.421 1.00 66.56 13 A 1 ATOM 97 C C . PHE A 0 13 . 4.036 8.394 23.094 1.00 66.56 13 A 1 ATOM 98 C CB . PHE A 0 13 . 4.522 9.907 25.085 1.00 66.56 13 A 1 ATOM 99 O O . PHE A 0 13 . 2.932 7.842 23.083 1.00 66.56 13 A 1 ATOM 100 C CG . PHE A 0 13 . 4.475 9.834 26.601 1.00 66.56 13 A 1 ATOM 101 C CD1 . PHE A 0 13 . 3.256 9.564 27.251 1.00 66.56 13 A 1 ATOM 102 C CD2 . PHE A 0 13 . 5.640 10.010 27.368 1.00 66.56 13 A 1 ATOM 103 C CE1 . PHE A 0 13 . 3.200 9.495 28.655 1.00 66.56 13 A 1 ATOM 104 C CE2 . PHE A 0 13 . 5.586 9.948 28.773 1.00 66.56 13 A 1 ATOM 105 C CZ . PHE A 0 13 . 4.364 9.694 29.417 1.00 66.56 13 A 1 ATOM 106 N N . GLY A 0 14 . 4.638 8.794 21.966 1.00 64.98 14 A 1 ATOM 107 C CA . GLY A 0 14 . 4.065 8.567 20.636 1.00 64.98 14 A 1 ATOM 108 C C . GLY A 0 14 . 3.942 7.079 20.283 1.00 64.98 14 A 1 ATOM 109 O O . GLY A 0 14 . 2.897 6.638 19.797 1.00 64.98 14 A 1 ATOM 110 N N . GLY A 0 15 . 4.974 6.281 20.582 1.00 62.97 15 A 1 ATOM 111 C CA . GLY A 0 15 . 5.010 4.849 20.257 1.00 62.97 15 A 1 ATOM 112 C C . GLY A 0 15 . 3.988 4.002 21.025 1.00 62.97 15 A 1 ATOM 113 O O . GLY A 0 15 . 3.315 3.153 20.434 1.00 62.97 15 A 1 ATOM 114 N N . ILE A 0 16 . 3.812 4.258 22.326 1.00 64.41 16 A 1 ATOM 115 C CA . ILE A 0 16 . 2.868 3.496 23.167 1.00 64.41 16 A 1 ATOM 116 C C . ILE A 0 16 . 1.417 3.763 22.743 1.00 64.41 16 A 1 ATOM 117 C CB . ILE A 0 16 . 3.107 3.808 24.664 1.00 64.41 16 A 1 ATOM 118 O O . ILE A 0 16 . 0.596 2.842 22.719 1.00 64.41 16 A 1 ATOM 119 C CG1 . ILE A 0 16 . 4.517 3.341 25.096 1.00 64.41 16 A 1 ATOM 120 C CG2 . ILE A 0 16 . 2.043 3.128 25.552 1.00 64.41 16 A 1 ATOM 121 C CD1 . ILE A 0 16 . 4.978 3.934 26.433 1.00 64.41 16 A 1 ATOM 122 N N . SER A 0 17 . 1.104 5.005 22.356 1.00 71.52 17 A 1 ATOM 123 C CA . SER A 0 17 . -0.234 5.371 21.881 1.00 71.52 17 A 1 ATOM 124 C C . SER A 0 17 . -0.611 4.617 20.599 1.00 71.52 17 A 1 ATOM 125 C CB . SER A 0 17 . -0.306 6.885 21.672 1.00 71.52 17 A 1 ATOM 126 O O . SER A 0 17 . -1.709 4.066 20.504 1.00 71.52 17 A 1 ATOM 127 O OG . SER A 0 17 . -1.652 7.274 21.485 1.00 71.52 17 A 1 ATOM 128 N N . LEU A 0 18 . 0.323 4.491 19.648 1.00 70.13 18 A 1 ATOM 129 C CA . LEU A 0 18 . 0.095 3.771 18.390 1.00 70.13 18 A 1 ATOM 130 C C . LEU A 0 18 . -0.136 2.270 18.602 1.00 70.13 18 A 1 ATOM 131 C CB . LEU A 0 18 . 1.283 4.012 17.442 1.00 70.13 18 A 1 ATOM 132 O O . LEU A 0 18 . -1.075 1.713 18.031 1.00 70.13 18 A 1 ATOM 133 C CG . LEU A 0 18 . 1.295 5.415 16.809 1.00 70.13 18 A 1 ATOM 134 C CD1 . LEU A 0 18 . 2.652 5.669 16.156 1.00 70.13 18 A 1 ATOM 135 C CD2 . LEU A 0 18 . 0.212 5.560 15.734 1.00 70.13 18 A 1 ATOM 136 N N . LEU A 0 19 . 0.662 1.615 19.452 1.00 75.45 19 A 1 ATOM 137 C CA . LEU A 0 19 . 0.477 0.188 19.749 1.00 75.45 19 A 1 ATOM 138 C C . LEU A 0 19 . -0.877 -0.080 20.416 1.00 75.45 19 A 1 ATOM 139 C CB . LEU A 0 19 . 1.629 -0.317 20.633 1.00 75.45 19 A 1 ATOM 140 O O . LEU A 0 19 . -1.583 -1.018 20.037 1.00 75.45 19 A 1 ATOM 141 C CG . LEU A 0 19 . 2.960 -0.505 19.884 1.00 75.45 19 A 1 ATOM 142 C CD1 . LEU A 0 19 . 4.067 -0.808 20.893 1.00 75.45 19 A 1 ATOM 143 C CD2 . LEU A 0 19 . 2.900 -1.663 18.882 1.00 75.45 19 A 1 ATOM 144 N N . LYS A 0 20 . -1.280 0.776 21.364 1.00 75.47 20 A 1 ATOM 145 C CA . LYS A 0 20 . -2.584 0.664 22.025 1.00 75.47 20 A 1 ATOM 146 C C . LYS A 0 20 . -3.737 0.891 21.042 1.00 75.47 20 A 1 ATOM 147 C CB . LYS A 0 20 . -2.611 1.617 23.229 1.00 75.47 20 A 1 ATOM 148 O O . LYS A 0 20 . -4.735 0.177 21.106 1.00 75.47 20 A 1 ATOM 149 C CG . LYS A 0 20 . -3.736 1.265 24.213 1.00 75.47 20 A 1 ATOM 150 C CD . LYS A 0 20 . -3.567 2.044 25.524 1.00 75.47 20 A 1 ATOM 151 C CE . LYS A 0 20 . -4.642 1.630 26.536 1.00 75.47 20 A 1 ATOM 152 N NZ . LYS A 0 20 . -4.459 2.317 27.840 1.00 75.47 20 A 1 ATOM 153 N N . LEU A 0 21 . -3.583 1.816 20.092 1.00 74.71 21 A 1 ATOM 154 C CA . LEU A 0 21 . -4.569 2.062 19.037 1.00 74.71 21 A 1 ATOM 155 C C . LEU A 0 21 . -4.730 0.850 18.101 1.00 74.71 21 A 1 ATOM 156 C CB . LEU A 0 21 . -4.157 3.327 18.261 1.00 74.71 21 A 1 ATOM 157 O O . LEU A 0 21 . -5.858 0.464 17.794 1.00 74.71 21 A 1 ATOM 158 C CG . LEU A 0 21 . -5.293 3.914 17.405 1.00 74.71 21 A 1 ATOM 159 C CD1 . LEU A 0 21 . -6.287 4.699 18.266 1.00 74.71 21 A 1 ATOM 160 C CD2 . LEU A 0 21 . -4.719 4.861 16.353 1.00 74.71 21 A 1 ATOM 161 N N . ILE A 0 22 . -3.627 0.210 17.693 1.00 78.74 22 A 1 ATOM 162 C CA . ILE A 0 22 . -3.658 -0.993 16.843 1.00 78.74 22 A 1 ATOM 163 C C . ILE A 0 22 . -4.382 -2.144 17.555 1.00 78.74 22 A 1 ATOM 164 C CB . ILE A 0 22 . -2.228 -1.389 16.401 1.00 78.74 22 A 1 ATOM 165 O O . ILE A 0 22 . -5.219 -2.806 16.941 1.00 78.74 22 A 1 ATOM 166 C CG1 . ILE A 0 22 . -1.652 -0.324 15.438 1.00 78.74 22 A 1 ATOM 167 C CG2 . ILE A 0 22 . -2.212 -2.769 15.711 1.00 78.74 22 A 1 ATOM 168 C CD1 . ILE A 0 22 . -0.131 -0.421 15.252 1.00 78.74 22 A 1 ATOM 169 N N . LEU A 0 23 . -4.122 -2.351 18.852 1.00 79.57 23 A 1 ATOM 170 C CA . LEU A 0 23 . -4.804 -3.378 19.647 1.00 79.57 23 A 1 ATOM 171 C C . LEU A 0 23 . -6.320 -3.144 19.721 1.00 79.57 23 A 1 ATOM 172 C CB . LEU A 0 23 . -4.188 -3.439 21.057 1.00 79.57 23 A 1 ATOM 173 O O . LEU A 0 23 . -7.086 -4.083 19.520 1.00 79.57 23 A 1 ATOM 174 C CG . LEU A 0 23 . -2.838 -4.175 21.115 1.00 79.57 23 A 1 ATOM 175 C CD1 . LEU A 0 23 . -2.172 -3.920 22.468 1.00 79.57 23 A 1 ATOM 176 C CD2 . LEU A 0 23 . -3.007 -5.688 20.948 1.00 79.57 23 A 1 ATOM 177 N N . ILE A 0 24 . -6.760 -1.898 19.924 1.00 80.22 24 A 1 ATOM 178 C CA . ILE A 0 24 . -8.192 -1.550 19.970 1.00 80.22 24 A 1 ATOM 179 C C . ILE A 0 24 . -8.869 -1.806 18.616 1.00 80.22 24 A 1 ATOM 180 C CB . ILE A 0 24 . -8.367 -0.083 20.432 1.00 80.22 24 A 1 ATOM 181 O O . ILE A 0 24 . -9.991 -2.318 18.568 1.00 80.22 24 A 1 ATOM 182 C CG1 . ILE A 0 24 . -7.931 0.071 21.908 1.00 80.22 24 A 1 ATOM 183 C CG2 . ILE A 0 24 . -9.827 0.390 20.277 1.00 80.22 24 A 1 ATOM 184 C CD1 . ILE A 0 24 . -7.712 1.529 22.336 1.00 80.22 24 A 1 ATOM 185 N N . ILE A 0 25 . -8.199 -1.482 17.504 1.00 78.19 25 A 1 ATOM 186 C CA . ILE A 0 25 . -8.728 -1.749 16.159 1.00 78.19 25 A 1 ATOM 187 C C . ILE A 0 25 . -8.850 -3.261 15.929 1.00 78.19 25 A 1 ATOM 188 C CB . ILE A 0 25 . -7.873 -1.043 15.081 1.00 78.19 25 A 1 ATOM 189 O O . ILE A 0 25 . -9.893 -3.716 15.460 1.00 78.19 25 A 1 ATOM 190 C CG1 . ILE A 0 25 . -8.012 0.492 15.214 1.00 78.19 25 A 1 ATOM 191 C CG2 . ILE A 0 25 . -8.298 -1.483 13.665 1.00 78.19 25 A 1 ATOM 192 C CD1 . ILE A 0 25 . -6.970 1.281 14.410 1.00 78.19 25 A 1 ATOM 193 N N . MET A 0 26 . -7.838 -4.044 16.314 1.00 71.44 26 A 1 ATOM 194 C CA . MET A 0 26 . -7.882 -5.506 16.208 1.00 71.44 26 A 1 ATOM 195 C C . MET A 0 26 . -9.008 -6.109 17.061 1.00 71.44 26 A 1 ATOM 196 C CB . MET A 0 26 . -6.525 -6.110 16.601 1.00 71.44 26 A 1 ATOM 197 O O . MET A 0 26 . -9.774 -6.934 16.568 1.00 71.44 26 A 1 ATOM 198 C CG . MET A 0 26 . -5.426 -5.860 15.561 1.00 71.44 26 A 1 ATOM 199 S SD . MET A 0 26 . -5.706 -6.658 13.953 1.00 71.44 26 A 1 ATOM 200 C CE . MET A 0 26 . -4.015 -6.619 13.305 1.00 71.44 26 A 1 ATOM 201 N N . GLU A 0 27 . -9.176 -5.660 18.306 1.00 76.34 27 A 1 ATOM 202 C CA . GLU A 0 27 . -10.223 -6.166 19.202 1.00 76.34 27 A 1 ATOM 203 C C . GLU A 0 27 . -11.636 -5.855 18.674 1.00 76.34 27 A 1 ATOM 204 C CB . GLU A 0 27 . -10.014 -5.580 20.608 1.00 76.34 27 A 1 ATOM 205 O O . GLU A 0 27 . -12.525 -6.712 18.693 1.00 76.34 27 A 1 ATOM 206 C CG . GLU A 0 27 . -10.817 -6.370 21.652 1.00 76.34 27 A 1 ATOM 207 C CD . GLU A 0 27 . -10.869 -5.711 23.035 1.00 76.34 27 A 1 ATOM 208 O OE1 . GLU A 0 27 . -11.824 -6.074 23.771 1.00 76.34 27 A 1 ATOM 209 O OE2 . GLU A 0 27 . -10.047 -4.815 23.321 1.00 76.34 27 A 1 ATOM 210 N N . LYS A 0 28 . -11.847 -4.646 18.135 1.00 67.19 28 A 1 ATOM 211 C CA . LYS A 0 28 . -13.137 -4.234 17.562 1.00 67.19 28 A 1 ATOM 212 C C . LYS A 0 28 . -13.462 -4.970 16.259 1.00 67.19 28 A 1 ATOM 213 C CB . LYS A 0 28 . -13.141 -2.706 17.407 1.00 67.19 28 A 1 ATOM 214 O O . LYS A 0 28 . -14.628 -5.285 16.023 1.00 67.19 28 A 1 ATOM 215 C CG . LYS A 0 28 . -14.548 -2.152 17.131 1.00 67.19 28 A 1 ATOM 216 C CD . LYS A 0 28 . -14.579 -0.631 17.335 1.00 67.19 28 A 1 ATOM 217 C CE . LYS A 0 28 . -15.997 -0.087 17.123 1.00 67.19 28 A 1 ATOM 218 N NZ . LYS A 0 28 . -16.077 1.363 17.436 1.00 67.19 28 A 1 ATOM 219 N N . LEU A 0 29 . -12.451 -5.282 15.444 1.00 62.68 29 A 1 ATOM 220 C CA . LEU A 0 29 . -12.611 -6.075 14.221 1.00 62.68 29 A 1 ATOM 221 C C . LEU A 0 29 . -12.979 -7.537 14.513 1.00 62.68 29 A 1 ATOM 222 C CB . LEU A 0 29 . -11.322 -5.997 13.381 1.00 62.68 29 A 1 ATOM 223 O O . LEU A 0 29 . -13.770 -8.108 13.768 1.00 62.68 29 A 1 ATOM 224 C CG . LEU A 0 29 . -11.130 -4.667 12.631 1.00 62.68 29 A 1 ATOM 225 C CD1 . LEU A 0 29 . -9.717 -4.610 12.049 1.00 62.68 29 A 1 ATOM 226 C CD2 . LEU A 0 29 . -12.122 -4.511 11.474 1.00 62.68 29 A 1 ATOM 227 N N . ILE A 0 30 . -12.456 -8.122 15.597 1.00 66.79 30 A 1 ATOM 228 C CA . ILE A 0 30 . -12.751 -9.509 15.997 1.00 66.79 30 A 1 ATOM 229 C C . ILE A 0 30 . -14.161 -9.642 16.600 1.00 66.79 30 A 1 ATOM 230 C CB . ILE A 0 30 . -11.649 -10.028 16.955 1.00 66.79 30 A 1 ATOM 231 O O . ILE A 0 30 . -14.824 -10.652 16.373 1.00 66.79 30 A 1 ATOM 232 C CG1 . ILE A 0 30 . -10.293 -10.140 16.217 1.00 66.79 30 A 1 ATOM 233 C CG2 . ILE A 0 30 . -12.010 -11.401 17.557 1.00 66.79 30 A 1 ATOM 234 C CD1 . ILE A 0 30 . -9.087 -10.252 17.161 1.00 66.79 30 A 1 ATOM 235 N N . LYS A 0 31 . -14.638 -8.638 17.356 1.00 68.52 31 A 1 ATOM 236 C CA . LYS A 0 31 . -15.950 -8.684 18.037 1.00 68.52 31 A 1 ATOM 237 C C . LYS A 0 31 . -17.154 -8.532 17.110 1.00 68.52 31 A 1 ATOM 238 C CB . LYS A 0 31 . -16.013 -7.622 19.148 1.00 68.52 31 A 1 ATOM 239 O O . LYS A 0 31 . -18.234 -9.016 17.435 1.00 68.52 31 A 1 ATOM 240 C CG . LYS A 0 31 . -15.366 -8.134 20.440 1.00 68.52 31 A 1 ATOM 241 C CD . LYS A 0 31 . -15.380 -7.068 21.547 1.00 68.52 31 A 1 ATOM 242 C CE . LYS A 0 31 . -14.862 -7.685 22.854 1.00 68.52 31 A 1 ATOM 243 N NZ . LYS A 0 31 . -14.472 -6.670 23.866 1.00 68.52 31 A 1 ATOM 244 N N . MET A 0 32 . -17.012 -7.843 15.984 1.00 60.76 32 A 1 ATOM 245 C CA . MET A 0 32 . -18.094 -7.766 15.006 1.00 60.76 32 A 1 ATOM 246 C C . MET A 0 32 . -18.007 -8.982 14.076 1.00 60.76 32 A 1 ATOM 247 C CB . MET A 0 32 . -18.043 -6.414 14.292 1.00 60.76 32 A 1 ATOM 248 O O . MET A 0 32 . -16.912 -9.479 13.824 1.00 60.76 32 A 1 ATOM 249 C CG . MET A 0 32 . -18.324 -5.239 15.232 1.00 60.76 32 A 1 ATOM 250 S SD . MET A 0 32 . -18.520 -3.651 14.378 1.00 60.76 32 A 1 ATOM 251 C CE . MET A 0 32 . -19.163 -2.664 15.752 1.00 60.76 32 A 1 ATOM 252 N N . ASN A 0 33 . -19.128 -9.437 13.499 1.00 61.03 33 A 1 ATOM 253 C CA . ASN A 0 33 . -19.201 -10.544 12.519 1.00 61.03 33 A 1 ATOM 254 C C . ASN A 0 33 . -18.447 -10.245 11.187 1.00 61.03 33 A 1 ATOM 255 C CB . ASN A 0 33 . -20.691 -10.915 12.315 1.00 61.03 33 A 1 ATOM 256 O O . ASN A 0 33 . -18.712 -10.813 10.132 1.00 61.03 33 A 1 ATOM 257 C CG . ASN A 0 33 . -20.951 -12.409 12.178 1.00 61.03 33 A 1 ATOM 258 N ND2 . ASN A 0 33 . -22.072 -12.794 11.615 1.00 61.03 33 A 1 ATOM 259 O OD1 . ASN A 0 33 . -20.185 -13.248 12.618 1.00 61.03 33 A 1 ATOM 260 N N . LEU A 0 34 . -17.491 -9.316 11.252 1.00 61.35 34 A 1 ATOM 261 C CA . LEU A 0 34 . -16.545 -8.846 10.266 1.00 61.35 34 A 1 ATOM 262 C C . LEU A 0 34 . -15.390 -9.820 10.053 1.00 61.35 34 A 1 ATOM 263 C CB . LEU A 0 34 . -15.946 -7.502 10.741 1.00 61.35 34 A 1 ATOM 264 O O . LEU A 0 34 . -14.505 -9.460 9.295 1.00 61.35 34 A 1 ATOM 265 C CG . LEU A 0 34 . -16.925 -6.350 10.983 1.00 61.35 34 A 1 ATOM 266 C CD1 . LEU A 0 34 . -16.165 -5.122 11.480 1.00 61.35 34 A 1 ATOM 267 C CD2 . LEU A 0 34 . -17.704 -5.949 9.746 1.00 61.35 34 A 1 ATOM 268 N N . LYS A 0 35 . -15.345 -11.024 10.642 1.00 61.76 35 A 1 ATOM 269 C CA . LYS A 0 35 . -14.263 -11.986 10.341 1.00 61.76 35 A 1 ATOM 270 C C . LYS A 0 35 . -14.072 -12.146 8.824 1.00 61.76 35 A 1 ATOM 271 C CB . LYS A 0 35 . -14.539 -13.330 11.035 1.00 61.76 35 A 1 ATOM 272 O O . LYS A 0 35 . -12.948 -12.085 8.334 1.00 61.76 35 A 1 ATOM 273 C CG . LYS A 0 35 . -13.342 -14.289 10.902 1.00 61.76 35 A 1 ATOM 274 C CD . LYS A 0 35 . -13.618 -15.627 11.599 1.00 61.76 35 A 1 ATOM 275 C CE . LYS A 0 35 . -12.430 -16.579 11.408 1.00 61.76 35 A 1 ATOM 276 N NZ . LYS A 0 35 . -12.686 -17.903 12.031 1.00 61.76 35 A 1 ATOM 277 N N . ASN A 0 36 . -15.174 -12.214 8.074 1.00 66.66 36 A 1 ATOM 278 C CA . ASN A 0 36 . -15.155 -12.263 6.610 1.00 66.66 36 A 1 ATOM 279 C C . ASN A 0 36 . -14.707 -10.936 5.974 1.00 66.66 36 A 1 ATOM 280 C CB . ASN A 0 36 . -16.550 -12.664 6.100 1.00 66.66 36 A 1 ATOM 281 O O . ASN A 0 36 . -13.964 -10.937 4.996 1.00 66.66 36 A 1 ATOM 282 C CG . ASN A 0 36 . -16.917 -14.106 6.409 1.00 66.66 36 A 1 ATOM 283 N ND2 . ASN A 0 36 . -17.894 -14.649 5.724 1.00 66.66 36 A 1 ATOM 284 O OD1 . ASN A 0 36 . -16.342 -14.760 7.263 1.00 66.66 36 A 1 ATOM 285 N N . ILE A 0 37 . -15.124 -9.799 6.535 1.00 73.99 37 A 1 ATOM 286 C CA . ILE A 0 37 . -14.730 -8.468 6.052 1.00 73.99 37 A 1 ATOM 287 C C . ILE A 0 37 . -13.244 -8.210 6.317 1.00 73.99 37 A 1 ATOM 288 C CB . ILE A 0 37 . -15.663 -7.388 6.647 1.00 73.99 37 A 1 ATOM 289 O O . ILE A 0 37 . -12.564 -7.679 5.450 1.00 73.99 37 A 1 ATOM 290 C CG1 . ILE A 0 37 . -17.039 -7.520 5.955 1.00 73.99 37 A 1 ATOM 291 C CG2 . ILE A 0 37 . -15.102 -5.968 6.445 1.00 73.99 37 A 1 ATOM 292 C CD1 . ILE A 0 37 . -18.208 -6.784 6.611 1.00 73.99 37 A 1 ATOM 293 N N . TRP A 0 38 . -12.708 -8.640 7.456 1.00 70.10 38 A 1 ATOM 294 C CA . TRP A 0 38 . -11.297 -8.529 7.791 1.00 70.10 38 A 1 ATOM 295 C C . TRP A 0 38 . -10.443 -9.373 6.852 1.00 70.10 38 A 1 ATOM 296 C CB . TRP A 0 38 . -11.067 -8.915 9.253 1.00 70.10 38 A 1 ATOM 297 O O . TRP A 0 38 . -9.489 -8.846 6.288 1.00 70.10 38 A 1 ATOM 298 C CG . TRP A 0 38 . -9.652 -8.734 9.707 1.00 70.10 38 A 1 ATOM 299 C CD1 . TRP A 0 38 . -8.930 -7.597 9.578 1.00 70.10 38 A 1 ATOM 300 C CD2 . TRP A 0 38 . -8.764 -9.698 10.353 1.00 70.10 38 A 1 ATOM 301 C CE2 . TRP A 0 38 . -7.511 -9.058 10.598 1.00 70.10 38 A 1 ATOM 302 C CE3 . TRP A 0 38 . -8.889 -11.043 10.765 1.00 70.10 38 A 1 ATOM 303 N NE1 . TRP A 0 38 . -7.670 -7.782 10.108 1.00 70.10 38 A 1 ATOM 304 C CH2 . TRP A 0 38 . -6.600 -11.046 11.628 1.00 70.10 38 A 1 ATOM 305 C CZ2 . TRP A 0 38 . -6.441 -9.710 11.224 1.00 70.10 38 A 1 ATOM 306 C CZ3 . TRP A 0 38 . -7.819 -11.709 11.397 1.00 70.10 38 A 1 ATOM 307 N N . ILE A 0 39 . -10.831 -10.627 6.587 1.00 80.97 39 A 1 ATOM 308 C CA . ILE A 0 39 . -10.165 -11.459 5.573 1.00 80.97 39 A 1 ATOM 309 C C . ILE A 0 39 . -10.197 -10.760 4.209 1.00 80.97 39 A 1 ATOM 310 C CB . ILE A 0 39 . -10.792 -12.871 5.514 1.00 80.97 39 A 1 ATOM 311 O O . ILE A 0 39 . -9.166 -10.676 3.550 1.00 80.97 39 A 1 ATOM 312 C CG1 . ILE A 0 39 . -10.496 -13.640 6.822 1.00 80.97 39 A 1 ATOM 313 C CG2 . ILE A 0 39 . -10.251 -13.673 4.313 1.00 80.97 39 A 1 ATOM 314 C CD1 . ILE A 0 39 . -11.379 -14.880 7.018 1.00 80.97 39 A 1 ATOM 315 N N . ASN A 0 40 . -11.337 -10.187 3.810 1.00 76.13 40 A 1 ATOM 316 C CA . ASN A 0 40 . -11.445 -9.465 2.543 1.00 76.13 40 A 1 ATOM 317 C C . ASN A 0 40 . -10.570 -8.195 2.504 1.00 76.13 40 A 1 ATOM 318 C CB . ASN A 0 40 . -12.927 -9.151 2.284 1.00 76.13 40 A 1 ATOM 319 O O . ASN A 0 40 . -9.939 -7.912 1.490 1.00 76.13 40 A 1 ATOM 320 C CG . ASN A 0 40 . -13.167 -8.685 0.860 1.00 76.13 40 A 1 ATOM 321 N ND2 . ASN A 0 40 . -14.101 -7.788 0.649 1.00 76.13 40 A 1 ATOM 322 O OD1 . ASN A 0 40 . -12.539 -9.128 -0.084 1.00 76.13 40 A 1 ATOM 323 N N . ILE A 0 41 . -10.475 -7.446 3.608 1.00 82.35 41 A 1 ATOM 324 C CA . ILE A 0 41 . -9.624 -6.252 3.717 1.00 82.35 41 A 1 ATOM 325 C C . ILE A 0 41 . -8.148 -6.640 3.660 1.00 82.35 41 A 1 ATOM 326 C CB . ILE A 0 41 . -9.950 -5.445 4.996 1.00 82.35 41 A 1 ATOM 327 O O . ILE A 0 41 . -7.406 -6.043 2.884 1.00 82.35 41 A 1 ATOM 328 C CG1 . ILE A 0 41 . -11.327 -4.758 4.857 1.00 82.35 41 A 1 ATOM 329 C CG2 . ILE A 0 41 . -8.876 -4.372 5.282 1.00 82.35 41 A 1 ATOM 330 C CD1 . ILE A 0 41 . -11.878 -4.226 6.186 1.00 82.35 41 A 1 ATOM 331 N N . VAL A 0 42 . -7.719 -7.636 4.441 1.00 81.45 42 A 1 ATOM 332 C CA . VAL A 0 42 . -6.332 -8.123 4.440 1.00 81.45 42 A 1 ATOM 333 C C . VAL A 0 42 . -5.976 -8.660 3.058 1.00 81.45 42 A 1 ATOM 334 C CB . VAL A 0 42 . -6.110 -9.187 5.535 1.00 81.45 42 A 1 ATOM 335 O O . VAL A 0 42 . -4.944 -8.283 2.508 1.00 81.45 42 A 1 ATOM 336 C CG1 . VAL A 0 42 . -4.707 -9.807 5.458 1.00 81.45 42 A 1 ATOM 337 C CG2 . VAL A 0 42 . -6.251 -8.569 6.933 1.00 81.45 42 A 1 ATOM 338 N N . HIS A 0 43 . -6.857 -9.451 2.445 1.00 82.04 43 A 1 ATOM 339 C CA . HIS A 0 43 . -6.654 -9.970 1.098 1.00 82.04 43 A 1 ATOM 340 C C . HIS A 0 43 . -6.549 -8.840 0.064 1.00 82.04 43 A 1 ATOM 341 C CB . HIS A 0 43 . -7.777 -10.956 0.764 1.00 82.04 43 A 1 ATOM 342 O O . HIS A 0 43 . -5.599 -8.800 -0.712 1.00 82.04 43 A 1 ATOM 343 C CG . HIS A 0 43 . -7.561 -11.653 -0.549 1.00 82.04 43 A 1 ATOM 344 C CD2 . HIS A 0 43 . -6.697 -12.688 -0.786 1.00 82.04 43 A 1 ATOM 345 N ND1 . HIS A 0 43 . -8.182 -11.358 -1.740 1.00 82.04 43 A 1 ATOM 346 C CE1 . HIS A 0 43 . -7.705 -12.200 -2.672 1.00 82.04 43 A 1 ATOM 347 N NE2 . HIS A 0 43 . -6.792 -13.023 -2.138 1.00 82.04 43 A 1 ATOM 348 N N . ASN A 0 44 . -7.455 -7.860 0.085 1.00 81.25 44 A 1 ATOM 349 C CA . ASN A 0 44 . -7.412 -6.726 -0.839 1.00 81.25 44 A 1 ATOM 350 C C . ASN A 0 44 . -6.177 -5.835 -0.619 1.00 81.25 44 A 1 ATOM 351 C CB . ASN A 0 44 . -8.717 -5.932 -0.693 1.00 81.25 44 A 1 ATOM 352 O O . ASN A 0 44 . -5.584 -5.356 -1.584 1.00 81.25 44 A 1 ATOM 353 C CG . ASN A 0 44 . -8.871 -4.864 -1.760 1.00 81.25 44 A 1 ATOM 354 N ND2 . ASN A 0 44 . -9.450 -3.735 -1.423 1.00 81.25 44 A 1 ATOM 355 O OD1 . ASN A 0 44 . -8.513 -5.025 -2.913 1.00 81.25 44 A 1 ATOM 356 N N . LEU A 0 45 . -5.748 -5.633 0.631 1.00 79.32 45 A 1 ATOM 357 C CA . LEU A 0 45 . -4.535 -4.880 0.947 1.00 79.32 45 A 1 ATOM 358 C C . LEU A 0 45 . -3.291 -5.592 0.400 1.00 79.32 45 A 1 ATOM 359 C CB . LEU A 0 45 . -4.433 -4.677 2.469 1.00 79.32 45 A 1 ATOM 360 O O . LEU A 0 45 . -2.468 -4.955 -0.258 1.00 79.32 45 A 1 ATOM 361 C CG . LEU A 0 45 . -3.397 -3.597 2.845 1.00 79.32 45 A 1 ATOM 362 C CD1 . LEU A 0 45 . -4.095 -2.273 3.164 1.00 79.32 45 A 1 ATOM 363 C CD2 . LEU A 0 45 . -2.575 -4.020 4.059 1.00 79.32 45 A 1 ATOM 364 N N . VAL A 0 46 . -3.184 -6.908 0.617 1.00 79.34 46 A 1 ATOM 365 C CA . VAL A 0 46 . -2.082 -7.735 0.105 1.00 79.34 46 A 1 ATOM 366 C C . VAL A 0 46 . -2.078 -7.729 -1.421 1.00 79.34 46 A 1 ATOM 367 C CB . VAL A 0 46 . -2.152 -9.167 0.674 1.00 79.34 46 A 1 ATOM 368 O O . VAL A 0 46 . -1.051 -7.423 -2.020 1.00 79.34 46 A 1 ATOM 369 C CG1 . VAL A 0 46 . -1.136 -10.108 0.012 1.00 79.34 46 A 1 ATOM 370 C CG2 . VAL A 0 46 . -1.844 -9.169 2.178 1.00 79.34 46 A 1 ATOM 371 N N . VAL A 0 47 . -3.222 -7.958 -2.070 1.00 81.83 47 A 1 ATOM 372 C CA . VAL A 0 47 . -3.333 -7.926 -3.537 1.00 81.83 47 A 1 ATOM 373 C C . VAL A 0 47 . -2.990 -6.541 -4.093 1.00 81.83 47 A 1 ATOM 374 C CB . VAL A 0 47 . -4.732 -8.393 -3.991 1.00 81.83 47 A 1 ATOM 375 O O . VAL A 0 47 . -2.258 -6.447 -5.076 1.00 81.83 47 A 1 ATOM 376 C CG1 . VAL A 0 47 . -4.951 -8.207 -5.500 1.00 81.83 47 A 1 ATOM 377 C CG2 . VAL A 0 47 . -4.927 -9.886 -3.697 1.00 81.83 47 A 1 ATOM 378 N N . LYS A 0 48 . -3.443 -5.449 -3.463 1.00 75.76 48 A 1 ATOM 379 C CA . LYS A 0 48 . -3.129 -4.077 -3.898 1.00 75.76 48 A 1 ATOM 380 C C . LYS A 0 48 . -1.642 -3.751 -3.746 1.00 75.76 48 A 1 ATOM 381 C CB . LYS A 0 48 . -4.024 -3.088 -3.135 1.00 75.76 48 A 1 ATOM 382 O O . LYS A 0 48 . -1.067 -3.136 -4.646 1.00 75.76 48 A 1 ATOM 383 C CG . LYS A 0 48 . -3.937 -1.657 -3.687 1.00 75.76 48 A 1 ATOM 384 C CD . LYS A 0 48 . -4.903 -0.729 -2.937 1.00 75.76 48 A 1 ATOM 385 C CE . LYS A 0 48 . -4.851 0.686 -3.528 1.00 75.76 48 A 1 ATOM 386 N NZ . LYS A 0 48 . -5.786 1.609 -2.834 1.00 75.76 48 A 1 ATOM 387 N N . MET A 0 49 . -1.012 -4.179 -2.650 1.00 70.30 49 A 1 ATOM 388 C CA . MET A 0 49 . 0.433 -4.035 -2.454 1.00 70.30 49 A 1 ATOM 389 C C . MET A 0 49 . 1.211 -4.850 -3.486 1.00 70.30 49 A 1 ATOM 390 C CB . MET A 0 49 . 0.838 -4.441 -1.029 1.00 70.30 49 A 1 ATOM 391 O O . MET A 0 49 . 2.074 -4.296 -4.166 1.00 70.30 49 A 1 ATOM 392 C CG . MET A 0 49 . 0.505 -3.368 0.012 1.00 70.30 49 A 1 ATOM 393 S SD . MET A 0 49 . 1.389 -1.796 -0.218 1.00 70.30 49 A 1 ATOM 394 C CE . MET A 0 49 . 1.173 -1.088 1.436 1.00 70.30 49 A 1 ATOM 395 N N . LEU A 0 50 . 0.858 -6.124 -3.682 1.00 72.18 50 A 1 ATOM 396 C CA . LEU A 0 50 . 1.484 -6.983 -4.689 1.00 72.18 50 A 1 ATOM 397 C C . LEU A 0 50 . 1.357 -6.380 -6.090 1.00 72.18 50 A 1 ATOM 398 C CB . LEU A 0 50 . 0.872 -8.394 -4.636 1.00 72.18 50 A 1 ATOM 399 O O . LEU A 0 50 . 2.349 -6.307 -6.804 1.00 72.18 50 A 1 ATOM 400 C CG . LEU A 0 50 . 1.277 -9.226 -3.403 1.00 72.18 50 A 1 ATOM 401 C CD1 . LEU A 0 50 . 0.474 -10.527 -3.390 1.00 72.18 50 A 1 ATOM 402 C CD2 . LEU A 0 50 . 2.765 -9.579 -3.402 1.00 72.18 50 A 1 ATOM 403 N N . LYS A 0 51 . 0.188 -5.851 -6.469 1.00 71.88 51 A 1 ATOM 404 C CA . LYS A 0 51 . -0.013 -5.210 -7.780 1.00 71.88 51 A 1 ATOM 405 C C . LYS A 0 51 . 0.853 -3.957 -7.959 1.00 71.88 51 A 1 ATOM 406 C CB . LYS A 0 51 . -1.510 -4.922 -7.986 1.00 71.88 51 A 1 ATOM 407 O O . LYS A 0 51 . 1.385 -3.735 -9.043 1.00 71.88 51 A 1 ATOM 408 C CG . LYS A 0 51 . -1.944 -5.141 -9.441 1.00 71.88 51 A 1 ATOM 409 C CD . LYS A 0 51 . -3.462 -4.958 -9.589 1.00 71.88 51 A 1 ATOM 410 C CE . LYS A 0 51 . -3.906 -5.391 -10.991 1.00 71.88 51 A 1 ATOM 411 N NZ . LYS A 0 51 . -5.371 -5.242 -11.190 1.00 71.88 51 A 1 ATOM 412 N N . LYS A 0 52 . 1.047 -3.160 -6.899 1.00 75.27 52 A 1 ATOM 413 C CA . LYS A 0 52 . 1.954 -1.999 -6.921 1.00 75.27 52 A 1 ATOM 414 C C . LYS A 0 52 . 3.411 -2.432 -7.097 1.00 75.27 52 A 1 ATOM 415 C CB . LYS A 0 52 . 1.758 -1.151 -5.652 1.00 75.27 52 A 1 ATOM 416 O O . LYS A 0 52 . 4.103 -1.869 -7.940 1.00 75.27 52 A 1 ATOM 417 C CG . LYS A 0 52 . 2.579 0.148 -5.708 1.00 75.27 52 A 1 ATOM 418 C CD . LYS A 0 52 . 2.420 0.978 -4.428 1.00 75.27 52 A 1 ATOM 419 C CE . LYS A 0 52 . 3.304 2.230 -4.524 1.00 75.27 52 A 1 ATOM 420 N NZ . LYS A 0 52 . 3.278 3.035 -3.276 1.00 75.27 52 A 1 ATOM 421 N N . HIS A 0 53 . 3.862 -3.430 -6.336 1.00 73.72 53 A 1 ATOM 422 C CA . HIS A 0 53 . 5.220 -3.962 -6.463 1.00 73.72 53 A 1 ATOM 423 C C . HIS A 0 53 . 5.458 -4.579 -7.846 1.00 73.72 53 A 1 ATOM 424 C CB . HIS A 0 53 . 5.506 -4.962 -5.334 1.00 73.72 53 A 1 ATOM 425 O O . HIS A 0 53 . 6.467 -4.271 -8.472 1.00 73.72 53 A 1 ATOM 426 C CG . HIS A 0 53 . 5.792 -4.277 -4.021 1.00 73.72 53 A 1 ATOM 427 C CD2 . HIS A 0 53 . 4.972 -4.204 -2.927 1.00 73.72 53 A 1 ATOM 428 N ND1 . HIS A 0 53 . 6.953 -3.611 -3.697 1.00 73.72 53 A 1 ATOM 429 C CE1 . HIS A 0 53 . 6.828 -3.142 -2.445 1.00 73.72 53 A 1 ATOM 430 N NE2 . HIS A 0 53 . 5.626 -3.458 -1.943 1.00 73.72 53 A 1 ATOM 431 N N . LEU A 0 54 . 4.508 -5.361 -8.365 1.00 75.44 54 A 1 ATOM 432 C CA . LEU A 0 54 . 4.587 -5.945 -9.706 1.00 75.44 54 A 1 ATOM 433 C C . LEU A 0 54 . 4.691 -4.871 -10.795 1.00 75.44 54 A 1 ATOM 434 C CB . LEU A 0 54 . 3.374 -6.862 -9.944 1.00 75.44 54 A 1 ATOM 435 O O . LEU A 0 54 . 5.549 -4.987 -11.661 1.00 75.44 54 A 1 ATOM 436 C CG . LEU A 0 54 . 3.417 -8.190 -9.162 1.00 75.44 54 A 1 ATOM 437 C CD1 . LEU A 0 54 . 2.065 -8.897 -9.285 1.00 75.44 54 A 1 ATOM 438 C CD2 . LEU A 0 54 . 4.503 -9.133 -9.679 1.00 75.44 54 A 1 ATOM 439 N N . ASN A 0 55 . 3.900 -3.795 -10.726 1.00 76.92 55 A 1 ATOM 440 C CA . ASN A 0 55 . 4.002 -2.692 -11.689 1.00 76.92 55 A 1 ATOM 441 C C . ASN A 0 55 . 5.375 -2.005 -11.664 1.00 76.92 55 A 1 ATOM 442 C CB . ASN A 0 55 . 2.892 -1.663 -11.423 1.00 76.92 55 A 1 ATOM 443 O O . ASN A 0 55 . 5.897 -1.663 -12.720 1.00 76.92 55 A 1 ATOM 444 C CG . ASN A 0 55 . 1.552 -2.033 -12.030 1.00 76.92 55 A 1 ATOM 445 N ND2 . ASN A 0 55 . 0.590 -1.146 -11.944 1.00 76.92 55 A 1 ATOM 446 O OD1 . ASN A 0 55 . 1.337 -3.083 -12.608 1.00 76.92 55 A 1 ATOM 447 N N . ILE A 0 56 . 5.970 -1.817 -10.482 1.00 81.46 56 A 1 ATOM 448 C CA . ILE A 0 56 . 7.314 -1.230 -10.359 1.00 81.46 56 A 1 ATOM 449 C C . ILE A 0 56 . 8.363 -2.175 -10.954 1.00 81.46 56 A 1 ATOM 450 C CB . ILE A 0 56 . 7.622 -0.874 -8.887 1.00 81.46 56 A 1 ATOM 451 O O . ILE A 0 56 . 9.225 -1.731 -11.704 1.00 81.46 56 A 1 ATOM 452 C CG1 . ILE A 0 56 . 6.687 0.257 -8.398 1.00 81.46 56 A 1 ATOM 453 C CG2 . ILE A 0 56 . 9.091 -0.442 -8.716 1.00 81.46 56 A 1 ATOM 454 C CD1 . ILE A 0 56 . 6.658 0.411 -6.872 1.00 81.46 56 A 1 ATOM 455 N N . VAL A 0 57 . 8.271 -3.480 -10.679 1.00 79.34 57 A 1 ATOM 456 C CA . VAL A 0 57 . 9.176 -4.480 -11.268 1.00 79.34 57 A 1 ATOM 457 C C . VAL A 0 57 . 9.044 -4.504 -12.795 1.00 79.34 57 A 1 ATOM 458 C CB . VAL A 0 57 . 8.929 -5.874 -10.657 1.00 79.34 57 A 1 ATOM 459 O O . VAL A 0 57 . 10.056 -4.514 -13.487 1.00 79.34 57 A 1 ATOM 460 C CG1 . VAL A 0 57 . 9.770 -6.962 -11.334 1.00 79.34 57 A 1 ATOM 461 C CG2 . VAL A 0 57 . 9.291 -5.900 -9.165 1.00 79.34 57 A 1 ATOM 462 N N . ILE A 0 58 . 7.822 -4.447 -13.334 1.00 81.94 58 A 1 ATOM 463 C CA . ILE A 0 58 . 7.576 -4.374 -14.783 1.00 81.94 58 A 1 ATOM 464 C C . ILE A 0 58 . 8.173 -3.095 -15.380 1.00 81.94 58 A 1 ATOM 465 C CB . ILE A 0 58 . 6.064 -4.496 -15.086 1.00 81.94 58 A 1 ATOM 466 O O . ILE A 0 58 . 8.796 -3.167 -16.436 1.00 81.94 58 A 1 ATOM 467 C CG1 . ILE A 0 58 . 5.565 -5.922 -14.755 1.00 81.94 58 A 1 ATOM 468 C CG2 . ILE A 0 58 . 5.751 -4.176 -16.562 1.00 81.94 58 A 1 ATOM 469 C CD1 . ILE A 0 58 . 4.039 -6.022 -14.629 1.00 81.94 58 A 1 ATOM 470 N N . LEU A 0 59 . 8.036 -1.948 -14.705 1.00 76.92 59 A 1 ATOM 471 C CA . LEU A 0 59 . 8.634 -0.685 -15.145 1.00 76.92 59 A 1 ATOM 472 C C . LEU A 0 59 . 10.162 -0.790 -15.204 1.00 76.92 59 A 1 ATOM 473 C CB . LEU A 0 59 . 8.184 0.447 -14.204 1.00 76.92 59 A 1 ATOM 474 O O . LEU A 0 59 . 10.750 -0.446 -16.223 1.00 76.92 59 A 1 ATOM 475 C CG . LEU A 0 59 . 8.564 1.853 -14.708 1.00 76.92 59 A 1 ATOM 476 C CD1 . LEU A 0 59 . 7.681 2.279 -15.884 1.00 76.92 59 A 1 ATOM 477 C CD2 . LEU A 0 59 . 8.379 2.868 -13.580 1.00 76.92 59 A 1 ATOM 478 N N . ILE A 0 60 . 10.789 -1.348 -14.162 1.00 79.35 60 A 1 ATOM 479 C CA . ILE A 0 60 . 12.240 -1.572 -14.121 1.00 79.35 60 A 1 ATOM 480 C C . ILE A 0 60 . 12.672 -2.527 -15.243 1.00 79.35 60 A 1 ATOM 481 C CB . ILE A 0 60 . 12.668 -2.088 -12.726 1.00 79.35 60 A 1 ATOM 482 O O . ILE A 0 60 . 13.674 -2.276 -15.903 1.00 79.35 60 A 1 ATOM 483 C CG1 . ILE A 0 60 . 12.461 -0.997 -11.649 1.00 79.35 60 A 1 ATOM 484 C CG2 . ILE A 0 60 . 14.143 -2.539 -12.731 1.00 79.35 60 A 1 ATOM 485 C CD1 . ILE A 0 60 . 12.495 -1.541 -10.214 1.00 79.35 60 A 1 ATOM 486 N N . ILE A 0 61 . 11.924 -3.604 -15.508 1.00 81.01 61 A 1 ATOM 487 C CA . ILE A 0 61 . 12.235 -4.539 -16.602 1.00 81.01 61 A 1 ATOM 488 C C . ILE A 0 61 . 12.093 -3.857 -17.969 1.00 81.01 61 A 1 ATOM 489 C CB . ILE A 0 61 . 11.379 -5.824 -16.500 1.00 81.01 61 A 1 ATOM 490 O O . ILE A 0 61 . 12.971 -4.028 -18.813 1.00 81.01 61 A 1 ATOM 491 C CG1 . ILE A 0 61 . 11.800 -6.650 -15.262 1.00 81.01 61 A 1 ATOM 492 C CG2 . ILE A 0 61 . 11.519 -6.694 -17.767 1.00 81.01 61 A 1 ATOM 493 C CD1 . ILE A 0 61 . 10.820 -7.778 -14.912 1.00 81.01 61 A 1 ATOM 494 N N . MET A 0 62 . 11.031 -3.075 -18.199 1.00 75.83 62 A 1 ATOM 495 C CA . MET A 0 62 . 10.857 -2.303 -19.437 1.00 75.83 62 A 1 ATOM 496 C C . MET A 0 62 . 11.969 -1.272 -19.621 1.00 75.83 62 A 1 ATOM 497 C CB . MET A 0 62 . 9.502 -1.578 -19.457 1.00 75.83 62 A 1 ATOM 498 O O . MET A 0 62 . 12.497 -1.144 -20.722 1.00 75.83 62 A 1 ATOM 499 C CG . MET A 0 62 . 8.377 -2.462 -19.994 1.00 75.83 62 A 1 ATOM 500 S SD . MET A 0 62 . 6.806 -1.573 -20.168 1.00 75.83 62 A 1 ATOM 501 C CE . MET A 0 62 . 5.804 -2.869 -20.936 1.00 75.83 62 A 1 ATOM 502 N N . GLU A 0 63 . 12.354 -0.569 -18.560 1.00 75.70 63 A 1 ATOM 503 C CA . GLU A 0 63 . 13.431 0.416 -18.599 1.00 75.70 63 A 1 ATOM 504 C C . GLU A 0 63 . 14.784 -0.254 -18.856 1.00 75.70 63 A 1 ATOM 505 C CB . GLU A 0 63 . 13.403 1.233 -17.304 1.00 75.70 63 A 1 ATOM 506 O O . GLU A 0 63 . 15.527 0.198 -19.719 1.00 75.70 63 A 1 ATOM 507 C CG . GLU A 0 63 . 14.319 2.460 -17.375 1.00 75.70 63 A 1 ATOM 508 C CD . GLU A 0 63 . 14.107 3.428 -16.199 1.00 75.70 63 A 1 ATOM 509 O OE1 . GLU A 0 63 . 14.645 4.553 -16.296 1.00 75.70 63 A 1 ATOM 510 O OE2 . GLU A 0 63 . 13.422 3.048 -15.221 1.00 75.70 63 A 1 ATOM 511 N N . LEU A 0 64 . 15.074 -1.396 -18.224 1.00 74.71 64 A 1 ATOM 512 C CA . LEU A 0 64 . 16.271 -2.197 -18.505 1.00 74.71 64 A 1 ATOM 513 C C . LEU A 0 64 . 16.294 -2.744 -19.942 1.00 74.71 64 A 1 ATOM 514 C CB . LEU A 0 64 . 16.364 -3.356 -17.497 1.00 74.71 64 A 1 ATOM 515 O O . LEU A 0 64 . 17.353 -2.762 -20.576 1.00 74.71 64 A 1 ATOM 516 C CG . LEU A 0 64 . 16.803 -2.948 -16.078 1.00 74.71 64 A 1 ATOM 517 C CD1 . LEU A 0 64 . 16.662 -4.155 -15.147 1.00 74.71 64 A 1 ATOM 518 C CD2 . LEU A 0 64 . 18.264 -2.491 -16.040 1.00 74.71 64 A 1 ATOM 519 N N . LEU A 0 65 . 15.148 -3.183 -20.473 1.00 74.06 65 A 1 ATOM 520 C CA . LEU A 0 65 . 15.026 -3.648 -21.857 1.00 74.06 65 A 1 ATOM 521 C C . LEU A 0 65 . 15.246 -2.491 -22.843 1.00 74.06 65 A 1 ATOM 522 C CB . LEU A 0 65 . 13.644 -4.300 -22.056 1.00 74.06 65 A 1 ATOM 523 O O . LEU A 0 65 . 16.011 -2.630 -23.798 1.00 74.06 65 A 1 ATOM 524 C CG . LEU A 0 65 . 13.539 -5.111 -23.362 1.00 74.06 65 A 1 ATOM 525 C CD1 . LEU A 0 65 . 14.112 -6.520 -23.178 1.00 74.06 65 A 1 ATOM 526 C CD2 . LEU A 0 65 . 12.081 -5.241 -23.798 1.00 74.06 65 A 1 ATOM 527 N N . ASN A 0 66 . 14.632 -1.334 -22.583 1.00 70.20 66 A 1 ATOM 528 C CA . ASN A 0 66 . 14.784 -0.144 -23.411 1.00 70.20 66 A 1 ATOM 529 C C . ASN A 0 66 . 16.203 0.435 -23.315 1.00 70.20 66 A 1 ATOM 530 C CB . ASN A 0 66 . 13.709 0.887 -23.029 1.00 70.20 66 A 1 ATOM 531 O O . ASN A 0 66 . 16.759 0.831 -24.330 1.00 70.20 66 A 1 ATOM 532 C CG . ASN A 0 66 . 13.560 1.968 -24.087 1.00 70.20 66 A 1 ATOM 533 N ND2 . ASN A 0 66 . 13.206 3.170 -23.702 1.00 70.20 66 A 1 ATOM 534 O OD1 . ASN A 0 66 . 13.732 1.742 -25.273 1.00 70.20 66 A 1 ATOM 535 N N . LEU A 0 67 . 16.843 0.405 -22.141 1.00 67.89 67 A 1 ATOM 536 C CA . LEU A 0 67 . 18.239 0.813 -21.951 1.00 67.89 67 A 1 ATOM 537 C C . LEU A 0 67 . 19.209 -0.061 -22.750 1.00 67.89 67 A 1 ATOM 538 C CB . LEU A 0 67 . 18.609 0.766 -20.455 1.00 67.89 67 A 1 ATOM 539 O O . LEU A 0 67 . 20.164 0.470 -23.316 1.00 67.89 67 A 1 ATOM 540 C CG . LEU A 0 67 . 18.165 2.000 -19.649 1.00 67.89 67 A 1 ATOM 541 C CD1 . LEU A 0 67 . 18.293 1.700 -18.154 1.00 67.89 67 A 1 ATOM 542 C CD2 . LEU A 0 67 . 19.041 3.216 -19.967 1.00 67.89 67 A 1 ATOM 543 N N . LYS A 0 68 . 18.972 -1.378 -22.858 1.00 64.69 68 A 1 ATOM 544 C CA . LYS A 0 68 . 19.765 -2.233 -23.762 1.00 64.69 68 A 1 ATOM 545 C C . LYS A 0 68 . 19.619 -1.795 -25.221 1.00 64.69 68 A 1 ATOM 546 C CB . LYS A 0 68 . 19.394 -3.715 -23.603 1.00 64.69 68 A 1 ATOM 547 O O . LYS A 0 68 . 20.618 -1.743 -25.936 1.00 64.69 68 A 1 ATOM 548 C CG . LYS A 0 68 . 20.063 -4.354 -22.378 1.00 64.69 68 A 1 ATOM 549 C CD . LYS A 0 68 . 19.800 -5.865 -22.361 1.00 64.69 68 A 1 ATOM 550 C CE . LYS A 0 68 . 20.545 -6.524 -21.196 1.00 64.69 68 A 1 ATOM 551 N NZ . LYS A 0 68 . 20.349 -7.995 -21.192 1.00 64.69 68 A 1 ATOM 552 N N . ASN A 0 69 . 18.407 -1.428 -25.635 1.00 58.30 69 A 1 ATOM 553 C CA . ASN A 0 69 . 18.138 -0.963 -26.995 1.00 58.30 69 A 1 ATOM 554 C C . ASN A 0 69 . 18.745 0.431 -27.260 1.00 58.30 69 A 1 ATOM 555 C CB . ASN A 0 69 . 16.613 -1.018 -27.236 1.00 58.30 69 A 1 ATOM 556 O O . ASN A 0 69 . 19.380 0.653 -28.288 1.00 58.30 69 A 1 ATOM 557 C CG . ASN A 0 69 . 16.250 -1.620 -28.582 1.00 58.30 69 A 1 ATOM 558 N ND2 . ASN A 0 69 . 15.107 -1.274 -29.123 1.00 58.30 69 A 1 ATOM 559 O OD1 . ASN A 0 69 . 16.959 -2.434 -29.147 1.00 58.30 69 A 1 ATOM 560 N N . LEU A 0 70 . 18.646 1.346 -26.291 1.00 56.10 70 A 1 ATOM 561 C CA . LEU A 0 70 . 19.196 2.699 -26.362 1.00 56.10 70 A 1 ATOM 562 C C . LEU A 0 70 . 20.729 2.693 -26.354 1.00 56.10 70 A 1 ATOM 563 C CB . LEU A 0 70 . 18.652 3.531 -25.186 1.00 56.10 70 A 1 ATOM 564 O O . LEU A 0 70 . 21.348 3.420 -27.126 1.00 56.10 70 A 1 ATOM 565 C CG . LEU A 0 70 . 18.635 5.040 -25.506 1.00 56.10 70 A 1 ATOM 566 C CD1 . LEU A 0 70 . 17.220 5.478 -25.892 1.00 56.10 70 A 1 ATOM 567 C CD2 . LEU A 0 70 . 19.090 5.867 -24.306 1.00 56.10 70 A 1 ATOM 568 N N . LYS A 0 71 . 21.356 1.835 -25.535 1.00 57.26 71 A 1 ATOM 569 C CA . LYS A 0 71 . 22.816 1.667 -25.528 1.00 57.26 71 A 1 ATOM 570 C C . LYS A 0 71 . 23.318 1.150 -26.875 1.00 57.26 71 A 1 ATOM 571 C CB . LYS A 0 71 . 23.250 0.775 -24.353 1.00 57.26 71 A 1 ATOM 572 O O . LYS A 0 71 . 24.358 1.612 -27.331 1.00 57.26 71 A 1 ATOM 573 C CG . LYS A 0 71 . 24.782 0.738 -24.216 1.00 57.26 71 A 1 ATOM 574 C CD . LYS A 0 71 . 25.231 0.100 -22.896 1.00 57.26 71 A 1 ATOM 575 C CE . LYS A 0 71 . 26.762 0.158 -22.811 1.00 57.26 71 A 1 ATOM 576 N NZ . LYS A 0 71 . 27.269 -0.279 -21.486 1.00 57.26 71 A 1 ATOM 577 N N . SER A 0 72 . 22.576 0.256 -27.535 1.00 57.90 72 A 1 ATOM 578 C CA . SER A 0 72 . 22.938 -0.212 -28.878 1.00 57.90 72 A 1 ATOM 579 C C . SER A 0 72 . 22.848 0.901 -29.925 1.00 57.90 72 A 1 ATOM 580 C CB . SER A 0 72 . 22.068 -1.396 -29.303 1.00 57.90 72 A 1 ATOM 581 O O . SER A 0 72 . 23.728 0.990 -30.774 1.00 57.90 72 A 1 ATOM 582 O OG . SER A 0 72 . 22.671 -2.049 -30.402 1.00 57.90 72 A 1 ATOM 583 N N . ILE A 0 73 . 21.834 1.771 -29.860 1.00 56.35 73 A 1 ATOM 584 C CA . ILE A 0 73 . 21.706 2.914 -30.783 1.00 56.35 73 A 1 ATOM 585 C C . ILE A 0 73 . 22.795 3.961 -30.505 1.00 56.35 73 A 1 ATOM 586 C CB . ILE A 0 73 . 20.280 3.509 -30.712 1.00 56.35 73 A 1 ATOM 587 O O . ILE A 0 73 . 23.407 4.475 -31.438 1.00 56.35 73 A 1 ATOM 588 C CG1 . ILE A 0 73 . 19.244 2.475 -31.217 1.00 56.35 73 A 1 ATOM 589 C CG2 . ILE A 0 73 . 20.173 4.799 -31.549 1.00 56.35 73 A 1 ATOM 590 C CD1 . ILE A 0 73 . 17.792 2.836 -30.878 1.00 56.35 73 A 1 ATOM 591 N N . CYS A 0 74 . 23.097 4.231 -29.232 1.00 54.27 74 A 1 ATOM 592 C CA . CYS A 0 74 . 24.158 5.160 -28.841 1.00 54.27 74 A 1 ATOM 593 C C . CYS A 0 74 . 25.535 4.690 -29.341 1.00 54.27 74 A 1 ATOM 594 C CB . CYS A 0 74 . 24.121 5.320 -27.316 1.00 54.27 74 A 1 ATOM 595 O O . CYS A 0 74 . 26.285 5.479 -29.906 1.00 54.27 74 A 1 ATOM 596 S SG . CYS A 0 74 . 25.177 6.717 -26.847 1.00 54.27 74 A 1 ATOM 597 N N . PHE A 0 75 . 25.826 3.388 -29.238 1.00 58.32 75 A 1 ATOM 598 C CA . PHE A 0 75 . 27.104 2.832 -29.691 1.00 58.32 75 A 1 ATOM 599 C C . PHE A 0 75 . 27.268 2.868 -31.218 1.00 58.32 75 A 1 ATOM 600 C CB . PHE A 0 75 . 27.248 1.400 -29.157 1.00 58.32 75 A 1 ATOM 601 O O . PHE A 0 75 . 28.383 3.004 -31.715 1.00 58.32 75 A 1 ATOM 602 C CG . PHE A 0 75 . 28.674 1.034 -28.815 1.00 58.32 75 A 1 ATOM 603 C CD1 . PHE A 0 75 . 29.506 0.403 -29.757 1.00 58.32 75 A 1 ATOM 604 C CD2 . PHE A 0 75 . 29.179 1.366 -27.545 1.00 58.32 75 A 1 ATOM 605 C CE1 . PHE A 0 75 . 30.836 0.090 -29.419 1.00 58.32 75 A 1 ATOM 606 C CE2 . PHE A 0 75 . 30.507 1.056 -27.208 1.00 58.32 75 A 1 ATOM 607 C CZ . PHE A 0 75 . 31.335 0.415 -28.145 1.00 58.32 75 A 1 ATOM 608 N N . VAL A 0 76 . 26.169 2.759 -31.975 1.00 56.88 76 A 1 ATOM 609 C CA . VAL A 0 76 . 26.200 2.931 -33.437 1.00 56.88 76 A 1 ATOM 610 C C . VAL A 0 76 . 26.414 4.404 -33.802 1.00 56.88 76 A 1 ATOM 611 C CB . VAL A 0 76 . 24.937 2.341 -34.097 1.00 56.88 76 A 1 ATOM 612 O O . VAL A 0 76 . 27.200 4.685 -34.704 1.00 56.88 76 A 1 ATOM 613 C CG1 . VAL A 0 76 . 24.886 2.606 -35.607 1.00 56.88 76 A 1 ATOM 614 C CG2 . VAL A 0 76 . 24.897 0.815 -33.919 1.00 56.88 76 A 1 ATOM 615 N N . ASN A 0 77 . 25.797 5.340 -33.073 1.00 52.63 77 A 1 ATOM 616 C CA . ASN A 0 77 . 25.990 6.775 -33.302 1.00 52.63 77 A 1 ATOM 617 C C . ASN A 0 77 . 27.403 7.262 -32.943 1.00 52.63 77 A 1 ATOM 618 C CB . ASN A 0 77 . 24.915 7.584 -32.549 1.00 52.63 77 A 1 ATOM 619 O O . ASN A 0 77 . 27.978 8.029 -33.709 1.00 52.63 77 A 1 ATOM 620 C CG . ASN A 0 77 . 23.796 8.083 -33.448 1.00 52.63 77 A 1 ATOM 621 N ND2 . ASN A 0 77 . 23.028 9.040 -32.983 1.00 52.63 77 A 1 ATOM 622 O OD1 . ASN A 0 77 . 23.580 7.644 -34.564 1.00 52.63 77 A 1 ATOM 623 N N . GLU A 0 78 . 27.993 6.809 -31.832 1.00 54.24 78 A 1 ATOM 624 C CA . GLU A 0 78 . 29.374 7.185 -31.476 1.00 54.24 78 A 1 ATOM 625 C C . GLU A 0 78 . 30.395 6.698 -32.510 1.00 54.24 78 A 1 ATOM 626 C CB . GLU A 0 78 . 29.758 6.650 -30.085 1.00 54.24 78 A 1 ATOM 627 O O . GLU A 0 78 . 31.394 7.369 -32.749 1.00 54.24 78 A 1 ATOM 628 C CG . GLU A 0 78 . 29.313 7.588 -28.955 1.00 54.24 78 A 1 ATOM 629 C CD . GLU A 0 78 . 29.893 7.180 -27.588 1.00 54.24 78 A 1 ATOM 630 O OE1 . GLU A 0 78 . 30.105 8.088 -26.753 1.00 54.24 78 A 1 ATOM 631 O OE2 . GLU A 0 78 . 30.087 5.961 -27.359 1.00 54.24 78 A 1 ATOM 632 N N . LYS A 0 79 . 30.133 5.569 -33.179 1.00 55.12 79 A 1 ATOM 633 C CA . LYS A 0 79 . 31.030 5.033 -34.212 1.00 55.12 79 A 1 ATOM 634 C C . LYS A 0 79 . 30.879 5.696 -35.584 1.00 55.12 79 A 1 ATOM 635 C CB . LYS A 0 79 . 30.871 3.508 -34.284 1.00 55.12 79 A 1 ATOM 636 O O . LYS A 0 79 . 31.719 5.451 -36.439 1.00 55.12 79 A 1 ATOM 637 C CG . LYS A 0 79 . 32.238 2.821 -34.221 1.00 55.12 79 A 1 ATOM 638 C CD . LYS A 0 79 . 32.061 1.302 -34.188 1.00 55.12 79 A 1 ATOM 639 C CE . LYS A 0 79 . 33.429 0.648 -33.995 1.00 55.12 79 A 1 ATOM 640 N NZ . LYS A 0 79 . 33.321 -0.829 -34.000 1.00 55.12 79 A 1 ATOM 641 N N . LEU A 0 80 . 29.829 6.492 -35.804 1.00 50.99 80 A 1 ATOM 642 C CA . LEU A 0 80 . 29.626 7.252 -37.044 1.00 50.99 80 A 1 ATOM 643 C C . LEU A 0 80 . 30.227 8.671 -36.973 1.00 50.99 80 A 1 ATOM 644 C CB . LEU A 0 80 . 28.116 7.291 -37.362 1.00 50.99 80 A 1 ATOM 645 O O . LEU A 0 80 . 30.354 9.328 -38.000 1.00 50.99 80 A 1 ATOM 646 C CG . LEU A 0 80 . 27.803 7.514 -38.857 1.00 50.99 80 A 1 ATOM 647 C CD1 . LEU A 0 80 . 27.917 6.208 -39.650 1.00 50.99 80 A 1 ATOM 648 C CD2 . LEU A 0 80 . 26.378 8.043 -39.029 1.00 50.99 80 A 1 ATOM 649 N N . LEU A 0 81 . 30.568 9.159 -35.774 1.00 46.58 81 A 1 ATOM 650 C CA . LEU A 0 81 . 31.097 10.514 -35.550 1.00 46.58 81 A 1 ATOM 651 C C . LEU A 0 81 . 32.633 10.591 -35.463 1.00 46.58 81 A 1 ATOM 652 C CB . LEU A 0 81 . 30.400 11.123 -34.315 1.00 46.58 81 A 1 ATOM 653 O O . LEU A 0 81 . 33.161 11.678 -35.229 1.00 46.58 81 A 1 ATOM 654 C CG . LEU A 0 81 . 29.015 11.717 -34.629 1.00 46.58 81 A 1 ATOM 655 C CD1 . LEU A 0 81 . 28.251 11.973 -33.329 1.00 46.58 81 A 1 ATOM 656 C CD2 . LEU A 0 81 . 29.120 13.053 -35.375 1.00 46.58 81 A 1 ATOM 657 N N . ILE A 0 82 . 33.341 9.476 -35.664 1.00 46.91 82 A 1 ATOM 658 C CA . ILE A 0 82 . 34.810 9.405 -35.762 1.00 46.91 82 A 1 ATOM 659 C C . ILE A 0 82 . 35.171 8.972 -37.178 1.00 46.91 82 A 1 ATOM 660 C CB . ILE A 0 82 . 35.399 8.447 -34.702 1.00 46.91 82 A 1 ATOM 661 O O . ILE A 0 82 . 36.048 9.628 -37.780 1.00 46.91 82 A 1 ATOM 662 C CG1 . ILE A 0 82 . 34.945 8.816 -33.270 1.00 46.91 82 A 1 ATOM 663 C CG2 . ILE A 0 82 . 36.937 8.466 -34.805 1.00 46.91 82 A 1 ATOM 664 C CD1 . ILE A 0 82 . 35.394 7.815 -32.197 1.00 46.91 82 A 1 ATOM 665 O OXT . ILE A 0 82 . 34.570 7.963 -37.605 1.00 46.91 82 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 68.93 # loop_ _atom_type.symbol C N O S #