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 LEU 0 3 SER 0 4 ARG 0 5 ILE 0 6 PHE 0 7 ASN 0 8 VAL 0 9 VAL 0 10 PHE 0 11 TYR 0 12 ARG 0 13 LEU 0 14 ILE 0 15 THR 0 16 ALA 0 17 PHE 0 18 PHE 0 19 ARG 0 20 HIS 0 21 MET 0 22 LEU 0 23 ILE 0 24 PHE 0 25 VAL 0 26 ILE 0 27 PHE 0 28 MET 0 29 ARG 0 30 VAL 0 31 THR 0 32 TRP 0 33 HIS 0 34 LEU 0 35 PHE 0 36 GLN 0 37 SER 0 38 ILE 0 39 GLY 0 40 CYS 0 41 LEU 0 42 THR 0 43 TYR 0 44 PHE 0 45 GLU 0 46 LEU 0 47 THR 0 48 THR # 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 . 23.971 9.556 -24.171 1.00 79.01 1 A 1 ATOM 2 C CA . MET A 0 1 . 23.149 10.487 -23.357 1.00 79.01 1 A 1 ATOM 3 C C . MET A 0 1 . 21.710 9.992 -23.186 1.00 79.01 1 A 1 ATOM 4 C CB . MET A 0 1 . 23.226 11.910 -23.920 1.00 79.01 1 A 1 ATOM 5 O O . MET A 0 1 . 21.265 9.906 -22.048 1.00 79.01 1 A 1 ATOM 6 C CG . MET A 0 1 . 22.761 12.975 -22.923 1.00 79.01 1 A 1 ATOM 7 S SD . MET A 0 1 . 23.120 14.634 -23.544 1.00 79.01 1 A 1 ATOM 8 C CE . MET A 0 1 . 22.404 15.669 -22.239 1.00 79.01 1 A 1 ATOM 9 N N . LEU A 0 2 . 21.027 9.585 -24.268 1.00 85.93 2 A 1 ATOM 10 C CA . LEU A 0 2 . 19.630 9.113 -24.251 1.00 85.93 2 A 1 ATOM 11 C C . LEU A 0 2 . 19.344 7.998 -23.222 1.00 85.93 2 A 1 ATOM 12 C CB . LEU A 0 2 . 19.272 8.645 -25.678 1.00 85.93 2 A 1 ATOM 13 O O . LEU A 0 2 . 18.394 8.108 -22.457 1.00 85.93 2 A 1 ATOM 14 C CG . LEU A 0 2 . 17.755 8.567 -25.945 1.00 85.93 2 A 1 ATOM 15 C CD1 . LEU A 0 2 . 17.175 9.960 -26.198 1.00 85.93 2 A 1 ATOM 16 C CD2 . LEU A 0 2 . 17.488 7.702 -27.175 1.00 85.93 2 A 1 ATOM 17 N N . SER A 0 3 . 20.212 6.981 -23.128 1.00 87.95 3 A 1 ATOM 18 C CA . SER A 0 3 . 20.055 5.877 -22.161 1.00 87.95 3 A 1 ATOM 19 C C . SER A 0 3 . 20.025 6.350 -20.699 1.00 87.95 3 A 1 ATOM 20 C CB . SER A 0 3 . 21.175 4.849 -22.372 1.00 87.95 3 A 1 ATOM 21 O O . SER A 0 3 . 19.227 5.855 -19.909 1.00 87.95 3 A 1 ATOM 22 O OG . SER A 0 3 . 21.164 3.856 -21.374 1.00 87.95 3 A 1 ATOM 23 N N . ARG A 0 4 . 20.820 7.371 -20.335 1.00 89.97 4 A 1 ATOM 24 C CA . ARG A 0 4 . 20.811 7.926 -18.968 1.00 89.97 4 A 1 ATOM 25 C C . ARG A 0 4 . 19.482 8.613 -18.659 1.00 89.97 4 A 1 ATOM 26 C CB . ARG A 0 4 . 21.986 8.893 -18.736 1.00 89.97 4 A 1 ATOM 27 O O . ARG A 0 4 . 18.955 8.434 -17.569 1.00 89.97 4 A 1 ATOM 28 C CG . ARG A 0 4 . 23.351 8.186 -18.731 1.00 89.97 4 A 1 ATOM 29 C CD . ARG A 0 4 . 24.523 9.162 -18.525 1.00 89.97 4 A 1 ATOM 30 N NE . ARG A 0 4 . 24.563 9.737 -17.164 1.00 89.97 4 A 1 ATOM 31 N NH1 . ARG A 0 4 . 26.457 11.026 -17.419 1.00 89.97 4 A 1 ATOM 32 N NH2 . ARG A 0 4 . 25.415 10.985 -15.455 1.00 89.97 4 A 1 ATOM 33 C CZ . ARG A 0 4 . 25.472 10.576 -16.690 1.00 89.97 4 A 1 ATOM 34 N N . ILE A 0 5 . 18.937 9.366 -19.615 1.00 90.94 5 A 1 ATOM 35 C CA . ILE A 0 5 . 17.642 10.044 -19.466 1.00 90.94 5 A 1 ATOM 36 C C . ILE A 0 5 . 16.524 9.004 -19.344 1.00 90.94 5 A 1 ATOM 37 C CB . ILE A 0 5 . 17.400 11.027 -20.636 1.00 90.94 5 A 1 ATOM 38 O O . ILE A 0 5 . 15.714 9.094 -18.424 1.00 90.94 5 A 1 ATOM 39 C CG1 . ILE A 0 5 . 18.492 12.124 -20.652 1.00 90.94 5 A 1 ATOM 40 C CG2 . ILE A 0 5 . 16.001 11.662 -20.529 1.00 90.94 5 A 1 ATOM 41 C CD1 . ILE A 0 5 . 18.491 12.986 -21.920 1.00 90.94 5 A 1 ATOM 42 N N . PHE A 0 6 . 16.529 7.980 -20.203 1.00 90.85 6 A 1 ATOM 43 C CA . PHE A 0 6 . 15.553 6.892 -20.154 1.00 90.85 6 A 1 ATOM 44 C C . PHE A 0 6 . 15.582 6.158 -18.809 1.00 90.85 6 A 1 ATOM 45 C CB . PHE A 0 6 . 15.796 5.931 -21.322 1.00 90.85 6 A 1 ATOM 46 O O . PHE A 0 6 . 14.538 6.003 -18.183 1.00 90.85 6 A 1 ATOM 47 C CG . PHE A 0 6 . 14.706 4.887 -21.452 1.00 90.85 6 A 1 ATOM 48 C CD1 . PHE A 0 6 . 14.879 3.600 -20.907 1.00 90.85 6 A 1 ATOM 49 C CD2 . PHE A 0 6 . 13.496 5.220 -22.090 1.00 90.85 6 A 1 ATOM 50 C CE1 . PHE A 0 6 . 13.847 2.650 -21.008 1.00 90.85 6 A 1 ATOM 51 C CE2 . PHE A 0 6 . 12.465 4.269 -22.190 1.00 90.85 6 A 1 ATOM 52 C CZ . PHE A 0 6 . 12.642 2.984 -21.650 1.00 90.85 6 A 1 ATOM 53 N N . ASN A 0 7 . 16.770 5.806 -18.304 1.00 91.87 7 A 1 ATOM 54 C CA . ASN A 0 7 . 16.914 5.155 -16.998 1.00 91.87 7 A 1 ATOM 55 C C . ASN A 0 7 . 16.385 6.027 -15.850 1.00 91.87 7 A 1 ATOM 56 C CB . ASN A 0 7 . 18.393 4.788 -16.771 1.00 91.87 7 A 1 ATOM 57 O O . ASN A 0 7 . 15.736 5.511 -14.945 1.00 91.87 7 A 1 ATOM 58 C CG . ASN A 0 7 . 18.855 3.609 -17.609 1.00 91.87 7 A 1 ATOM 59 N ND2 . ASN A 0 7 . 20.138 3.332 -17.623 1.00 91.87 7 A 1 ATOM 60 O OD1 . ASN A 0 7 . 18.090 2.912 -18.247 1.00 91.87 7 A 1 ATOM 61 N N . VAL A 0 8 . 16.613 7.345 -15.886 1.00 92.97 8 A 1 ATOM 62 C CA . VAL A 0 8 . 16.102 8.274 -14.861 1.00 92.97 8 A 1 ATOM 63 C C . VAL A 0 8 . 14.575 8.381 -14.912 1.00 92.97 8 A 1 ATOM 64 C CB . VAL A 0 8 . 16.764 9.659 -15.001 1.00 92.97 8 A 1 ATOM 65 O O . VAL A 0 8 . 13.930 8.368 -13.863 1.00 92.97 8 A 1 ATOM 66 C CG1 . VAL A 0 8 . 16.115 10.728 -14.107 1.00 92.97 8 A 1 ATOM 67 C CG2 . VAL A 0 8 . 18.246 9.591 -14.609 1.00 92.97 8 A 1 ATOM 68 N N . VAL A 0 9 . 13.985 8.474 -16.107 1.00 93.10 9 A 1 ATOM 69 C CA . VAL A 0 9 . 12.522 8.518 -16.279 1.00 93.10 9 A 1 ATOM 70 C C . VAL A 0 9 . 11.890 7.199 -15.838 1.00 93.10 9 A 1 ATOM 71 C CB . VAL A 0 9 . 12.145 8.855 -17.736 1.00 93.10 9 A 1 ATOM 72 O O . VAL A 0 9 . 10.930 7.210 -15.068 1.00 93.10 9 A 1 ATOM 73 C CG1 . VAL A 0 9 . 10.634 8.762 -17.982 1.00 93.10 9 A 1 ATOM 74 C CG2 . VAL A 0 9 . 12.572 10.288 -18.086 1.00 93.10 9 A 1 ATOM 75 N N . PHE A 0 10 . 12.464 6.071 -16.256 1.00 93.85 10 A 1 ATOM 76 C CA . PHE A 0 10 . 12.001 4.736 -15.891 1.00 93.85 10 A 1 ATOM 77 C C . PHE A 0 10 . 12.086 4.500 -14.379 1.00 93.85 10 A 1 ATOM 78 C CB . PHE A 0 10 . 12.825 3.708 -16.675 1.00 93.85 10 A 1 ATOM 79 O O . PHE A 0 10 . 11.125 4.037 -13.770 1.00 93.85 10 A 1 ATOM 80 C CG . PHE A 0 10 . 12.282 2.301 -16.581 1.00 93.85 10 A 1 ATOM 81 C CD1 . PHE A 0 10 . 12.968 1.316 -15.848 1.00 93.85 10 A 1 ATOM 82 C CD2 . PHE A 0 10 . 11.092 1.971 -17.256 1.00 93.85 10 A 1 ATOM 83 C CE1 . PHE A 0 10 . 12.472 0.001 -15.810 1.00 93.85 10 A 1 ATOM 84 C CE2 . PHE A 0 10 . 10.580 0.664 -17.188 1.00 93.85 10 A 1 ATOM 85 C CZ . PHE A 0 10 . 11.270 -0.321 -16.462 1.00 93.85 10 A 1 ATOM 86 N N . TYR A 0 11 . 13.184 4.921 -13.744 1.00 93.73 11 A 1 ATOM 87 C CA . TYR A 0 11 . 13.333 4.864 -12.291 1.00 93.73 11 A 1 ATOM 88 C C . TYR A 0 11 . 12.258 5.691 -11.573 1.00 93.73 11 A 1 ATOM 89 C CB . TYR A 0 11 . 14.742 5.326 -11.907 1.00 93.73 11 A 1 ATOM 90 O O . TYR A 0 11 . 11.606 5.190 -10.659 1.00 93.73 11 A 1 ATOM 91 C CG . TYR A 0 11 . 15.023 5.207 -10.425 1.00 93.73 11 A 1 ATOM 92 C CD1 . TYR A 0 11 . 14.865 6.320 -9.576 1.00 93.73 11 A 1 ATOM 93 C CD2 . TYR A 0 11 . 15.412 3.963 -9.895 1.00 93.73 11 A 1 ATOM 94 C CE1 . TYR A 0 11 . 15.094 6.188 -8.192 1.00 93.73 11 A 1 ATOM 95 C CE2 . TYR A 0 11 . 15.643 3.829 -8.514 1.00 93.73 11 A 1 ATOM 96 O OH . TYR A 0 11 . 15.707 4.793 -6.330 1.00 93.73 11 A 1 ATOM 97 C CZ . TYR A 0 11 . 15.484 4.938 -7.661 1.00 93.73 11 A 1 ATOM 98 N N . ARG A 0 12 . 11.998 6.930 -12.021 1.00 94.35 12 A 1 ATOM 99 C CA . ARG A 0 12 . 10.929 7.774 -11.454 1.00 94.35 12 A 1 ATOM 100 C C . ARG A 0 12 . 9.547 7.142 -11.614 1.00 94.35 12 A 1 ATOM 101 C CB . ARG A 0 12 . 10.938 9.167 -12.099 1.00 94.35 12 A 1 ATOM 102 O O . ARG A 0 12 . 8.749 7.217 -10.681 1.00 94.35 12 A 1 ATOM 103 C CG . ARG A 0 12 . 12.102 10.033 -11.605 1.00 94.35 12 A 1 ATOM 104 C CD . ARG A 0 12 . 12.099 11.373 -12.351 1.00 94.35 12 A 1 ATOM 105 N NE . ARG A 0 12 . 13.284 12.188 -12.021 1.00 94.35 12 A 1 ATOM 106 N NH1 . ARG A 0 12 . 12.511 13.177 -10.093 1.00 94.35 12 A 1 ATOM 107 N NH2 . ARG A 0 12 . 14.539 13.691 -10.862 1.00 94.35 12 A 1 ATOM 108 C CZ . ARG A 0 12 . 13.436 13.009 -10.998 1.00 94.35 12 A 1 ATOM 109 N N . LEU A 0 13 . 9.276 6.517 -12.761 1.00 94.91 13 A 1 ATOM 110 C CA . LEU A 0 13 . 8.016 5.823 -13.022 1.00 94.91 13 A 1 ATOM 111 C C . LEU A 0 13 . 7.837 4.630 -12.073 1.00 94.91 13 A 1 ATOM 112 C CB . LEU A 0 13 . 7.979 5.391 -14.499 1.00 94.91 13 A 1 ATOM 113 O O . LEU A 0 13 . 6.786 4.507 -11.448 1.00 94.91 13 A 1 ATOM 114 C CG . LEU A 0 13 . 6.621 4.811 -14.937 1.00 94.91 13 A 1 ATOM 115 C CD1 . LEU A 0 13 . 5.536 5.890 -14.990 1.00 94.91 13 A 1 ATOM 116 C CD2 . LEU A 0 13 . 6.758 4.193 -16.327 1.00 94.91 13 A 1 ATOM 117 N N . ILE A 0 14 . 8.880 3.814 -11.898 1.00 95.02 14 A 1 ATOM 118 C CA . ILE A 0 14 . 8.885 2.693 -10.949 1.00 95.02 14 A 1 ATOM 119 C C . ILE A 0 14 . 8.660 3.192 -9.518 1.00 95.02 14 A 1 ATOM 120 C CB . ILE A 0 14 . 10.196 1.885 -11.081 1.00 95.02 14 A 1 ATOM 121 O O . ILE A 0 14 . 7.799 2.669 -8.815 1.00 95.02 14 A 1 ATOM 122 C CG1 . ILE A 0 14 . 10.185 1.080 -12.394 1.00 95.02 14 A 1 ATOM 123 C CG2 . ILE A 0 14 . 10.354 0.921 -9.893 1.00 95.02 14 A 1 ATOM 124 C CD1 . ILE A 0 14 . 11.541 0.461 -12.744 1.00 95.02 14 A 1 ATOM 125 N N . THR A 0 15 . 9.382 4.226 -9.076 1.00 94.87 15 A 1 ATOM 126 C CA . THR A 0 15 . 9.202 4.789 -7.728 1.00 94.87 15 A 1 ATOM 127 C C . THR A 0 15 . 7.782 5.320 -7.518 1.00 94.87 15 A 1 ATOM 128 C CB . THR A 0 15 . 10.205 5.921 -7.463 1.00 94.87 15 A 1 ATOM 129 O O . THR A 0 15 . 7.192 5.103 -6.458 1.00 94.87 15 A 1 ATOM 130 C CG2 . THR A 0 15 . 10.145 6.435 -6.025 1.00 94.87 15 A 1 ATOM 131 O OG1 . THR A 0 15 . 11.531 5.504 -7.670 1.00 94.87 15 A 1 ATOM 132 N N . ALA A 0 16 . 7.204 5.995 -8.518 1.00 94.95 16 A 1 ATOM 133 C CA . ALA A 0 16 . 5.819 6.453 -8.455 1.00 94.95 16 A 1 ATOM 134 C C . ALA A 0 16 . 4.844 5.270 -8.364 1.00 94.95 16 A 1 ATOM 135 C CB . ALA A 0 16 . 5.528 7.348 -9.665 1.00 94.95 16 A 1 ATOM 136 O O . ALA A 0 16 . 3.950 5.289 -7.518 1.00 94.95 16 A 1 ATOM 137 N N . PHE A 0 17 . 5.053 4.224 -9.165 1.00 95.73 17 A 1 ATOM 138 C CA . PHE A 0 17 . 4.249 3.005 -9.133 1.00 95.73 17 A 1 ATOM 139 C C . PHE A 0 17 . 4.290 2.331 -7.755 1.00 95.73 17 A 1 ATOM 140 C CB . PHE A 0 17 . 4.726 2.061 -10.242 1.00 95.73 17 A 1 ATOM 141 O O . PHE A 0 17 . 3.238 2.065 -7.177 1.00 95.73 17 A 1 ATOM 142 C CG . PHE A 0 17 . 3.894 0.804 -10.349 1.00 95.73 17 A 1 ATOM 143 C CD1 . PHE A 0 17 . 4.314 -0.383 -9.717 1.00 95.73 17 A 1 ATOM 144 C CD2 . PHE A 0 17 . 2.687 0.826 -11.071 1.00 95.73 17 A 1 ATOM 145 C CE1 . PHE A 0 17 . 3.528 -1.544 -9.814 1.00 95.73 17 A 1 ATOM 146 C CE2 . PHE A 0 17 . 1.906 -0.337 -11.171 1.00 95.73 17 A 1 ATOM 147 C CZ . PHE A 0 17 . 2.328 -1.522 -10.544 1.00 95.73 17 A 1 ATOM 148 N N . PHE A 0 18 . 5.479 2.151 -7.169 1.00 95.48 18 A 1 ATOM 149 C CA . PHE A 0 18 . 5.624 1.607 -5.814 1.00 95.48 18 A 1 ATOM 150 C C . PHE A 0 18 . 4.916 2.458 -4.758 1.00 95.48 18 A 1 ATOM 151 C CB . PHE A 0 18 . 7.108 1.455 -5.456 1.00 95.48 18 A 1 ATOM 152 O O . PHE A 0 18 . 4.262 1.912 -3.871 1.00 95.48 18 A 1 ATOM 153 C CG . PHE A 0 18 . 7.707 0.146 -5.923 1.00 95.48 18 A 1 ATOM 154 C CD1 . PHE A 0 18 . 7.326 -1.057 -5.301 1.00 95.48 18 A 1 ATOM 155 C CD2 . PHE A 0 18 . 8.658 0.121 -6.956 1.00 95.48 18 A 1 ATOM 156 C CE1 . PHE A 0 18 . 7.877 -2.278 -5.725 1.00 95.48 18 A 1 ATOM 157 C CE2 . PHE A 0 18 . 9.213 -1.101 -7.378 1.00 95.48 18 A 1 ATOM 158 C CZ . PHE A 0 18 . 8.817 -2.301 -6.767 1.00 95.48 18 A 1 ATOM 159 N N . ARG A 0 19 . 4.985 3.791 -4.865 1.00 95.37 19 A 1 ATOM 160 C CA . ARG A 0 19 . 4.261 4.693 -3.959 1.00 95.37 19 A 1 ATOM 161 C C . ARG A 0 19 . 2.745 4.512 -4.073 1.00 95.37 19 A 1 ATOM 162 C CB . ARG A 0 19 . 4.697 6.137 -4.232 1.00 95.37 19 A 1 ATOM 163 O O . ARG A 0 19 . 2.072 4.439 -3.049 1.00 95.37 19 A 1 ATOM 164 C CG . ARG A 0 19 . 4.067 7.126 -3.238 1.00 95.37 19 A 1 ATOM 165 C CD . ARG A 0 19 . 4.526 8.561 -3.515 1.00 95.37 19 A 1 ATOM 166 N NE . ARG A 0 19 . 4.051 9.035 -4.832 1.00 95.37 19 A 1 ATOM 167 N NH1 . ARG A 0 19 . 6.017 9.924 -5.623 1.00 95.37 19 A 1 ATOM 168 N NH2 . ARG A 0 19 . 4.185 9.962 -6.901 1.00 95.37 19 A 1 ATOM 169 C CZ . ARG A 0 19 . 4.752 9.636 -5.774 1.00 95.37 19 A 1 ATOM 170 N N . HIS A 0 20 . 2.208 4.413 -5.289 1.00 95.93 20 A 1 ATOM 171 C CA . HIS A 0 20 . 0.780 4.157 -5.501 1.00 95.93 20 A 1 ATOM 172 C C . HIS A 0 20 . 0.354 2.785 -4.968 1.00 95.93 20 A 1 ATOM 173 C CB . HIS A 0 20 . 0.428 4.310 -6.988 1.00 95.93 20 A 1 ATOM 174 O O . HIS A 0 20 . -0.670 2.691 -4.294 1.00 95.93 20 A 1 ATOM 175 C CG . HIS A 0 20 . 0.131 5.739 -7.358 1.00 95.93 20 A 1 ATOM 176 C CD2 . HIS A 0 20 . 1.003 6.665 -7.861 1.00 95.93 20 A 1 ATOM 177 N ND1 . HIS A 0 20 . -1.086 6.367 -7.226 1.00 95.93 20 A 1 ATOM 178 C CE1 . HIS A 0 20 . -0.946 7.639 -7.633 1.00 95.93 20 A 1 ATOM 179 N NE2 . HIS A 0 20 . 0.323 7.877 -8.006 1.00 95.93 20 A 1 ATOM 180 N N . MET A 0 21 . 1.161 1.746 -5.199 1.00 95.49 21 A 1 ATOM 181 C CA . MET A 0 21 . 0.923 0.404 -4.658 1.00 95.49 21 A 1 ATOM 182 C C . MET A 0 21 . 0.908 0.404 -3.125 1.00 95.49 21 A 1 ATOM 183 C CB . MET A 0 21 . 1.991 -0.567 -5.184 1.00 95.49 21 A 1 ATOM 184 O O . MET A 0 21 . 0.017 -0.189 -2.523 1.00 95.49 21 A 1 ATOM 185 C CG . MET A 0 21 . 1.808 -0.890 -6.671 1.00 95.49 21 A 1 ATOM 186 S SD . MET A 0 21 . 0.358 -1.921 -7.022 1.00 95.49 21 A 1 ATOM 187 C CE . MET A 0 21 . -0.467 -0.914 -8.283 1.00 95.49 21 A 1 ATOM 188 N N . LEU A 0 22 . 1.836 1.117 -2.479 1.00 96.14 22 A 1 ATOM 189 C CA . LEU A 0 22 . 1.873 1.242 -1.020 1.00 96.14 22 A 1 ATOM 190 C C . LEU A 0 22 . 0.604 1.913 -0.469 1.00 96.14 22 A 1 ATOM 191 C CB . LEU A 0 22 . 3.130 2.034 -0.624 1.00 96.14 22 A 1 ATOM 192 O O . LEU A 0 22 . 0.001 1.407 0.476 1.00 96.14 22 A 1 ATOM 193 C CG . LEU A 0 22 . 3.373 2.024 0.901 1.00 96.14 22 A 1 ATOM 194 C CD1 . LEU A 0 22 . 4.540 1.103 1.256 1.00 96.14 22 A 1 ATOM 195 C CD2 . LEU A 0 22 . 3.680 3.431 1.411 1.00 96.14 22 A 1 ATOM 196 N N . ILE A 0 23 . 0.176 3.023 -1.078 1.00 96.24 23 A 1 ATOM 197 C CA . ILE A 0 23 . -1.057 3.725 -0.687 1.00 96.24 23 A 1 ATOM 198 C C . ILE A 0 23 . -2.269 2.802 -0.857 1.00 96.24 23 A 1 ATOM 199 C CB . ILE A 0 23 . -1.213 5.034 -1.496 1.00 96.24 23 A 1 ATOM 200 O O . ILE A 0 23 . -3.108 2.724 0.039 1.00 96.24 23 A 1 ATOM 201 C CG1 . ILE A 0 23 . -0.101 6.038 -1.112 1.00 96.24 23 A 1 ATOM 202 C CG2 . ILE A 0 23 . -2.594 5.675 -1.256 1.00 96.24 23 A 1 ATOM 203 C CD1 . ILE A 0 23 . 0.053 7.196 -2.108 1.00 96.24 23 A 1 ATOM 204 N N . PHE A 0 24 . -2.335 2.062 -1.965 1.00 96.61 24 A 1 ATOM 205 C CA . PHE A 0 24 . -3.401 1.096 -2.220 1.00 96.61 24 A 1 ATOM 206 C C . PHE A 0 24 . -3.446 -0.015 -1.158 1.00 96.61 24 A 1 ATOM 207 C CB . PHE A 0 24 . -3.223 0.529 -3.633 1.00 96.61 24 A 1 ATOM 208 O O . PHE A 0 24 . -4.517 -0.324 -0.642 1.00 96.61 24 A 1 ATOM 209 C CG . PHE A 0 24 . -4.294 -0.468 -4.012 1.00 96.61 24 A 1 ATOM 210 C CD1 . PHE A 0 24 . -4.039 -1.850 -3.929 1.00 96.61 24 A 1 ATOM 211 C CD2 . PHE A 0 24 . -5.564 -0.011 -4.413 1.00 96.61 24 A 1 ATOM 212 C CE1 . PHE A 0 24 . -5.052 -2.772 -4.247 1.00 96.61 24 A 1 ATOM 213 C CE2 . PHE A 0 24 . -6.575 -0.934 -4.729 1.00 96.61 24 A 1 ATOM 214 C CZ . PHE A 0 24 . -6.319 -2.313 -4.645 1.00 96.61 24 A 1 ATOM 215 N N . VAL A 0 25 . -2.295 -0.567 -0.758 1.00 96.67 25 A 1 ATOM 216 C CA . VAL A 0 25 . -2.215 -1.584 0.308 1.00 96.67 25 A 1 ATOM 217 C C . VAL A 0 25 . -2.690 -1.033 1.656 1.00 96.67 25 A 1 ATOM 218 C CB . VAL A 0 25 . -0.781 -2.142 0.416 1.00 96.67 25 A 1 ATOM 219 O O . VAL A 0 25 . -3.422 -1.716 2.374 1.00 96.67 25 A 1 ATOM 220 C CG1 . VAL A 0 25 . -0.569 -3.026 1.654 1.00 96.67 25 A 1 ATOM 221 C CG2 . VAL A 0 25 . -0.446 -3.003 -0.809 1.00 96.67 25 A 1 ATOM 222 N N . ILE A 0 26 . -2.308 0.200 2.003 1.00 96.79 26 A 1 ATOM 223 C CA . ILE A 0 26 . -2.773 0.856 3.235 1.00 96.79 26 A 1 ATOM 224 C C . ILE A 0 26 . -4.291 1.049 3.189 1.00 96.79 26 A 1 ATOM 225 C CB . ILE A 0 26 . -2.030 2.193 3.455 1.00 96.79 26 A 1 ATOM 226 O O . ILE A 0 26 . -4.971 0.716 4.157 1.00 96.79 26 A 1 ATOM 227 C CG1 . ILE A 0 26 . -0.539 1.925 3.763 1.00 96.79 26 A 1 ATOM 228 C CG2 . ILE A 0 26 . -2.663 3.003 4.605 1.00 96.79 26 A 1 ATOM 229 C CD1 . ILE A 0 26 . 0.348 3.163 3.581 1.00 96.79 26 A 1 ATOM 230 N N . PHE A 0 27 . -4.825 1.519 2.060 1.00 96.83 27 A 1 ATOM 231 C CA . PHE A 0 27 . -6.262 1.695 1.872 1.00 96.83 27 A 1 ATOM 232 C C . PHE A 0 27 . -7.016 0.371 2.047 1.00 96.83 27 A 1 ATOM 233 C CB . PHE A 0 27 . -6.518 2.330 0.502 1.00 96.83 27 A 1 ATOM 234 O O . PHE A 0 27 . -7.921 0.298 2.872 1.00 96.83 27 A 1 ATOM 235 C CG . PHE A 0 27 . -7.977 2.651 0.263 1.00 96.83 27 A 1 ATOM 236 C CD1 . PHE A 0 27 . -8.790 1.763 -0.468 1.00 96.83 27 A 1 ATOM 237 C CD2 . PHE A 0 27 . -8.532 3.826 0.803 1.00 96.83 27 A 1 ATOM 238 C CE1 . PHE A 0 27 . -10.150 2.057 -0.665 1.00 96.83 27 A 1 ATOM 239 C CE2 . PHE A 0 27 . -9.893 4.118 0.606 1.00 96.83 27 A 1 ATOM 240 C CZ . PHE A 0 27 . -10.701 3.234 -0.130 1.00 96.83 27 A 1 ATOM 241 N N . MET A 0 28 . -6.575 -0.701 1.381 1.00 96.24 28 A 1 ATOM 242 C CA . MET A 0 28 . -7.168 -2.039 1.518 1.00 96.24 28 A 1 ATOM 243 C C . MET A 0 28 . -7.142 -2.545 2.966 1.00 96.24 28 A 1 ATOM 244 C CB . MET A 0 28 . -6.425 -3.032 0.611 1.00 96.24 28 A 1 ATOM 245 O O . MET A 0 28 . -8.131 -3.101 3.437 1.00 96.24 28 A 1 ATOM 246 C CG . MET A 0 28 . -6.721 -2.811 -0.878 1.00 96.24 28 A 1 ATOM 247 S SD . MET A 0 28 . -8.438 -3.098 -1.387 1.00 96.24 28 A 1 ATOM 248 C CE . MET A 0 28 . -8.547 -4.901 -1.231 1.00 96.24 28 A 1 ATOM 249 N N . ARG A 0 29 . -6.042 -2.321 3.698 1.00 96.13 29 A 1 ATOM 250 C CA . ARG A 0 29 . -5.938 -2.685 5.120 1.00 96.13 29 A 1 ATOM 251 C C . ARG A 0 29 . -6.941 -1.906 5.976 1.00 96.13 29 A 1 ATOM 252 C CB . ARG A 0 29 . -4.491 -2.475 5.594 1.00 96.13 29 A 1 ATOM 253 O O . ARG A 0 29 . -7.590 -2.497 6.834 1.00 96.13 29 A 1 ATOM 254 C CG . ARG A 0 29 . -4.306 -2.832 7.078 1.00 96.13 29 A 1 ATOM 255 C CD . ARG A 0 29 . -2.889 -2.534 7.576 1.00 96.13 29 A 1 ATOM 256 N NE . ARG A 0 29 . -1.910 -3.545 7.124 1.00 96.13 29 A 1 ATOM 257 N NH1 . ARG A 0 29 . -1.389 -4.437 9.183 1.00 96.13 29 A 1 ATOM 258 N NH2 . ARG A 0 29 . -0.360 -5.197 7.359 1.00 96.13 29 A 1 ATOM 259 C CZ . ARG A 0 29 . -1.229 -4.382 7.889 1.00 96.13 29 A 1 ATOM 260 N N . VAL A 0 30 . -7.073 -0.598 5.760 1.00 95.85 30 A 1 ATOM 261 C CA . VAL A 0 30 . -8.025 0.241 6.507 1.00 95.85 30 A 1 ATOM 262 C C . VAL A 0 30 . -9.461 -0.176 6.199 1.00 95.85 30 A 1 ATOM 263 C CB . VAL A 0 30 . -7.803 1.735 6.211 1.00 95.85 30 A 1 ATOM 264 O O . VAL A 0 30 . -10.238 -0.393 7.126 1.00 95.85 30 A 1 ATOM 265 C CG1 . VAL A 0 30 . -8.884 2.616 6.853 1.00 95.85 30 A 1 ATOM 266 C CG2 . VAL A 0 30 . -6.450 2.201 6.765 1.00 95.85 30 A 1 ATOM 267 N N . THR A 0 31 . -9.804 -0.359 4.923 1.00 95.53 31 A 1 ATOM 268 C CA . THR A 0 31 . -11.128 -0.840 4.508 1.00 95.53 31 A 1 ATOM 269 C C . THR A 0 31 . -11.438 -2.208 5.110 1.00 95.53 31 A 1 ATOM 270 C CB . THR A 0 31 . -11.225 -0.913 2.979 1.00 95.53 31 A 1 ATOM 271 O O . THR A 0 31 . -12.548 -2.416 5.591 1.00 95.53 31 A 1 ATOM 272 C CG2 . THR A 0 31 . -12.625 -1.279 2.492 1.00 95.53 31 A 1 ATOM 273 O OG1 . THR A 0 31 . -10.925 0.340 2.416 1.00 95.53 31 A 1 ATOM 274 N N . TRP A 0 32 . -10.458 -3.116 5.155 1.00 95.06 32 A 1 ATOM 275 C CA . TRP A 0 32 . -10.608 -4.416 5.806 1.00 95.06 32 A 1 ATOM 276 C C . TRP A 0 32 . -10.925 -4.287 7.300 1.00 95.06 32 A 1 ATOM 277 C CB . TRP A 0 32 . -9.340 -5.249 5.598 1.00 95.06 32 A 1 ATOM 278 O O . TRP A 0 32 . -11.870 -4.908 7.780 1.00 95.06 32 A 1 ATOM 279 C CG . TRP A 0 32 . -9.410 -6.588 6.251 1.00 95.06 32 A 1 ATOM 280 C CD1 . TRP A 0 32 . -8.913 -6.910 7.467 1.00 95.06 32 A 1 ATOM 281 C CD2 . TRP A 0 32 . -10.120 -7.769 5.779 1.00 95.06 32 A 1 ATOM 282 C CE2 . TRP A 0 32 . -9.995 -8.792 6.764 1.00 95.06 32 A 1 ATOM 283 C CE3 . TRP A 0 32 . -10.882 -8.063 4.628 1.00 95.06 32 A 1 ATOM 284 N NE1 . TRP A 0 32 . -9.256 -8.212 7.775 1.00 95.06 32 A 1 ATOM 285 C CH2 . TRP A 0 32 . -11.328 -10.321 5.446 1.00 95.06 32 A 1 ATOM 286 C CZ2 . TRP A 0 32 . -10.582 -10.055 6.608 1.00 95.06 32 A 1 ATOM 287 C CZ3 . TRP A 0 32 . -11.478 -9.328 4.462 1.00 95.06 32 A 1 ATOM 288 N N . HIS A 0 33 . -10.186 -3.450 8.035 1.00 93.88 33 A 1 ATOM 289 C CA . HIS A 0 33 . -10.465 -3.214 9.454 1.00 93.88 33 A 1 ATOM 290 C C . HIS A 0 33 . -11.840 -2.580 9.680 1.00 93.88 33 A 1 ATOM 291 C CB . HIS A 0 33 . -9.368 -2.344 10.076 1.00 93.88 33 A 1 ATOM 292 O O . HIS A 0 33 . -12.543 -2.985 10.600 1.00 93.88 33 A 1 ATOM 293 C CG . HIS A 0 33 . -8.091 -3.098 10.325 1.00 93.88 33 A 1 ATOM 294 C CD2 . HIS A 0 33 . -6.859 -2.812 9.808 1.00 93.88 33 A 1 ATOM 295 N ND1 . HIS A 0 33 . -7.941 -4.189 11.148 1.00 93.88 33 A 1 ATOM 296 C CE1 . HIS A 0 33 . -6.648 -4.550 11.124 1.00 93.88 33 A 1 ATOM 297 N NE2 . HIS A 0 33 . -5.940 -3.743 10.311 1.00 93.88 33 A 1 ATOM 298 N N . LEU A 0 34 . -12.254 -1.631 8.835 1.00 93.36 34 A 1 ATOM 299 C CA . LEU A 0 34 . -13.597 -1.049 8.905 1.00 93.36 34 A 1 ATOM 300 C C . LEU A 0 34 . -14.674 -2.109 8.671 1.00 93.36 34 A 1 ATOM 301 C CB . LEU A 0 34 . -13.732 0.089 7.880 1.00 93.36 34 A 1 ATOM 302 O O . LEU A 0 34 . -15.633 -2.180 9.434 1.00 93.36 34 A 1 ATOM 303 C CG . LEU A 0 34 . -12.943 1.360 8.233 1.00 93.36 34 A 1 ATOM 304 C CD1 . LEU A 0 34 . -13.006 2.333 7.055 1.00 93.36 34 A 1 ATOM 305 C CD2 . LEU A 0 34 . -13.506 2.064 9.470 1.00 93.36 34 A 1 ATOM 306 N N . PHE A 0 35 . -14.492 -2.966 7.666 1.00 93.00 35 A 1 ATOM 307 C CA . PHE A 0 35 . -15.419 -4.057 7.380 1.00 93.00 35 A 1 ATOM 308 C C . PHE A 0 35 . -15.505 -5.053 8.542 1.00 93.00 35 A 1 ATOM 309 C CB . PHE A 0 35 . -14.990 -4.749 6.083 1.00 93.00 35 A 1 ATOM 310 O O . PHE A 0 35 . -16.597 -5.462 8.925 1.00 93.00 35 A 1 ATOM 311 C CG . PHE A 0 35 . -16.021 -5.739 5.589 1.00 93.00 35 A 1 ATOM 312 C CD1 . PHE A 0 35 . -15.869 -7.116 5.838 1.00 93.00 35 A 1 ATOM 313 C CD2 . PHE A 0 35 . -17.163 -5.269 4.915 1.00 93.00 35 A 1 ATOM 314 C CE1 . PHE A 0 35 . -16.857 -8.019 5.407 1.00 93.00 35 A 1 ATOM 315 C CE2 . PHE A 0 35 . -18.149 -6.172 4.484 1.00 93.00 35 A 1 ATOM 316 C CZ . PHE A 0 35 . -17.996 -7.547 4.731 1.00 93.00 35 A 1 ATOM 317 N N . GLN A 0 36 . -14.369 -5.391 9.156 1.00 91.96 36 A 1 ATOM 318 C CA . GLN A 0 36 . -14.328 -6.255 10.333 1.00 91.96 36 A 1 ATOM 319 C C . GLN A 0 36 . -15.025 -5.617 11.543 1.00 91.96 36 A 1 ATOM 320 C CB . GLN A 0 36 . -12.865 -6.601 10.639 1.00 91.96 36 A 1 ATOM 321 O O . GLN A 0 36 . -15.768 -6.303 12.242 1.00 91.96 36 A 1 ATOM 322 C CG . GLN A 0 36 . -12.761 -7.680 11.724 1.00 91.96 36 A 1 ATOM 323 C CD . GLN A 0 36 . -11.330 -8.134 11.980 1.00 91.96 36 A 1 ATOM 324 N NE2 . GLN A 0 36 . -11.156 -9.228 12.689 1.00 91.96 36 A 1 ATOM 325 O OE1 . GLN A 0 36 . -10.345 -7.535 11.568 1.00 91.96 36 A 1 ATOM 326 N N . SER A 0 37 . -14.828 -4.317 11.776 1.00 91.04 37 A 1 ATOM 327 C CA . SER A 0 37 . -15.525 -3.585 12.838 1.00 91.04 37 A 1 ATOM 328 C C . SER A 0 37 . -17.034 -3.565 12.609 1.00 91.04 37 A 1 ATOM 329 C CB . SER A 0 37 . -15.007 -2.150 12.938 1.00 91.04 37 A 1 ATOM 330 O O . SER A 0 37 . -17.782 -3.829 13.544 1.00 91.04 37 A 1 ATOM 331 O OG . SER A 0 37 . -13.661 -2.148 13.373 1.00 91.04 37 A 1 ATOM 332 N N . ILE A 0 38 . -17.486 -3.326 11.373 1.00 92.02 38 A 1 ATOM 333 C CA . ILE A 0 38 . -18.912 -3.387 11.016 1.00 92.02 38 A 1 ATOM 334 C C . ILE A 0 38 . -19.453 -4.800 11.251 1.00 92.02 38 A 1 ATOM 335 C CB . ILE A 0 38 . -19.146 -2.921 9.561 1.00 92.02 38 A 1 ATOM 336 O O . ILE A 0 38 . -20.459 -4.949 11.931 1.00 92.02 38 A 1 ATOM 337 C CG1 . ILE A 0 38 . -18.808 -1.420 9.406 1.00 92.02 38 A 1 ATOM 338 C CG2 . ILE A 0 38 . -20.609 -3.158 9.135 1.00 92.02 38 A 1 ATOM 339 C CD1 . ILE A 0 38 . -18.580 -0.999 7.948 1.00 92.02 38 A 1 ATOM 340 N N . GLY A 0 39 . -18.763 -5.837 10.768 1.00 88.44 39 A 1 ATOM 341 C CA . GLY A 0 39 . -19.174 -7.226 10.985 1.00 88.44 39 A 1 ATOM 342 C C . GLY A 0 39 . -19.257 -7.602 12.468 1.00 88.44 39 A 1 ATOM 343 O O . GLY A 0 39 . -20.179 -8.307 12.867 1.00 88.44 39 A 1 ATOM 344 N N . CYS A 0 40 . -18.338 -7.097 13.296 1.00 87.08 40 A 1 ATOM 345 C CA . CYS A 0 40 . -18.372 -7.281 14.747 1.00 87.08 40 A 1 ATOM 346 C C . CYS A 0 40 . -19.582 -6.584 15.386 1.00 87.08 40 A 1 ATOM 347 C CB . CYS A 0 40 . -17.053 -6.759 15.331 1.00 87.08 40 A 1 ATOM 348 O O . CYS A 0 40 . -20.275 -7.196 16.195 1.00 87.08 40 A 1 ATOM 349 S SG . CYS A 0 40 . -16.939 -7.198 17.089 1.00 87.08 40 A 1 ATOM 350 N N . LEU A 0 41 . -19.868 -5.338 14.992 1.00 88.86 41 A 1 ATOM 351 C CA . LEU A 0 41 . -21.043 -4.601 15.464 1.00 88.86 41 A 1 ATOM 352 C C . LEU A 0 41 . -22.336 -5.325 15.078 1.00 88.86 41 A 1 ATOM 353 C CB . LEU A 0 41 . -21.030 -3.168 14.903 1.00 88.86 41 A 1 ATOM 354 O O . LEU A 0 41 . -23.165 -5.581 15.943 1.00 88.86 41 A 1 ATOM 355 C CG . LEU A 0 41 . -19.950 -2.255 15.507 1.00 88.86 41 A 1 ATOM 356 C CD1 . LEU A 0 41 . -19.878 -0.952 14.707 1.00 88.86 41 A 1 ATOM 357 C CD2 . LEU A 0 41 . -20.234 -1.909 16.969 1.00 88.86 41 A 1 ATOM 358 N N . THR A 0 42 . -22.467 -5.740 13.816 1.00 87.94 42 A 1 ATOM 359 C CA . THR A 0 42 . -23.640 -6.486 13.339 1.00 87.94 42 A 1 ATOM 360 C C . THR A 0 42 . -23.797 -7.824 14.061 1.00 87.94 42 A 1 ATOM 361 C CB . THR A 0 42 . -23.540 -6.735 11.827 1.00 87.94 42 A 1 ATOM 362 O O . THR A 0 42 . -24.914 -8.220 14.379 1.00 87.94 42 A 1 ATOM 363 C CG2 . THR A 0 42 . -24.817 -7.336 11.242 1.00 87.94 42 A 1 ATOM 364 O OG1 . THR A 0 42 . -23.323 -5.525 11.140 1.00 87.94 42 A 1 ATOM 365 N N . TYR A 0 43 . -22.695 -8.526 14.343 1.00 86.16 43 A 1 ATOM 366 C CA . TYR A 0 43 . -22.741 -9.760 15.124 1.00 86.16 43 A 1 ATOM 367 C C . TYR A 0 43 . -23.206 -9.497 16.560 1.00 86.16 43 A 1 ATOM 368 C CB . TYR A 0 43 . -21.373 -10.450 15.100 1.00 86.16 43 A 1 ATOM 369 O O . TYR A 0 43 . -24.075 -10.211 17.048 1.00 86.16 43 A 1 ATOM 370 C CG . TYR A 0 43 . -21.371 -11.793 15.803 1.00 86.16 43 A 1 ATOM 371 C CD1 . TYR A 0 43 . -20.971 -11.890 17.150 1.00 86.16 43 A 1 ATOM 372 C CD2 . TYR A 0 43 . -21.813 -12.941 15.117 1.00 86.16 43 A 1 ATOM 373 C CE1 . TYR A 0 43 . -21.003 -13.133 17.809 1.00 86.16 43 A 1 ATOM 374 C CE2 . TYR A 0 43 . -21.845 -14.187 15.771 1.00 86.16 43 A 1 ATOM 375 O OH . TYR A 0 43 . -21.490 -15.485 17.753 1.00 86.16 43 A 1 ATOM 376 C CZ . TYR A 0 43 . -21.442 -14.284 17.119 1.00 86.16 43 A 1 ATOM 377 N N . PHE A 0 44 . -22.677 -8.457 17.212 1.00 86.29 44 A 1 ATOM 378 C CA . PHE A 0 44 . -23.087 -8.079 18.562 1.00 86.29 44 A 1 ATOM 379 C C . PHE A 0 44 . -24.584 -7.761 18.617 1.00 86.29 44 A 1 ATOM 380 C CB . PHE A 0 44 . -22.227 -6.914 19.064 1.00 86.29 44 A 1 ATOM 381 O O . PHE A 0 44 . -25.282 -8.385 19.409 1.00 86.29 44 A 1 ATOM 382 C CG . PHE A 0 44 . -22.466 -6.575 20.523 1.00 86.29 44 A 1 ATOM 383 C CD1 . PHE A 0 44 . -23.292 -5.491 20.875 1.00 86.29 44 A 1 ATOM 384 C CD2 . PHE A 0 44 . -21.880 -7.363 21.531 1.00 86.29 44 A 1 ATOM 385 C CE1 . PHE A 0 44 . -23.514 -5.187 22.230 1.00 86.29 44 A 1 ATOM 386 C CE2 . PHE A 0 44 . -22.107 -7.062 22.886 1.00 86.29 44 A 1 ATOM 387 C CZ . PHE A 0 44 . -22.919 -5.969 23.236 1.00 86.29 44 A 1 ATOM 388 N N . GLU A 0 45 . -25.078 -6.907 17.711 1.00 86.23 45 A 1 ATOM 389 C CA . GLU A 0 45 . -26.503 -6.554 17.606 1.00 86.23 45 A 1 ATOM 390 C C . GLU A 0 45 . -27.415 -7.759 17.345 1.00 86.23 45 A 1 ATOM 391 C CB . GLU A 0 45 . -26.721 -5.532 16.473 1.00 86.23 45 A 1 ATOM 392 O O . GLU A 0 45 . -28.554 -7.762 17.793 1.00 86.23 45 A 1 ATOM 393 C CG . GLU A 0 45 . -26.207 -4.127 16.808 1.00 86.23 45 A 1 ATOM 394 C CD . GLU A 0 45 . -26.655 -3.106 15.750 1.00 86.23 45 A 1 ATOM 395 O OE1 . GLU A 0 45 . -27.518 -2.261 16.084 1.00 86.23 45 A 1 ATOM 396 O OE2 . GLU A 0 45 . -26.117 -3.153 14.616 1.00 86.23 45 A 1 ATOM 397 N N . LEU A 0 46 . -26.943 -8.786 16.630 1.00 86.92 46 A 1 ATOM 398 C CA . LEU A 0 46 . -27.724 -10.004 16.394 1.00 86.92 46 A 1 ATOM 399 C C . LEU A 0 46 . -27.740 -10.946 17.611 1.00 86.92 46 A 1 ATOM 400 C CB . LEU A 0 46 . -27.164 -10.701 15.140 1.00 86.92 46 A 1 ATOM 401 O O . LEU A 0 46 . -28.659 -11.752 17.752 1.00 86.92 46 A 1 ATOM 402 C CG . LEU A 0 46 . -28.004 -11.891 14.637 1.00 86.92 46 A 1 ATOM 403 C CD1 . LEU A 0 46 . -29.383 -11.458 14.130 1.00 86.92 46 A 1 ATOM 404 C CD2 . LEU A 0 46 . -27.274 -12.581 13.483 1.00 86.92 46 A 1 ATOM 405 N N . THR A 0 47 . -26.701 -10.900 18.451 1.00 85.30 47 A 1 ATOM 406 C CA . THR A 0 47 . -26.544 -11.802 19.609 1.00 85.30 47 A 1 ATOM 407 C C . THR A 0 47 . -27.092 -11.262 20.929 1.00 85.30 47 A 1 ATOM 408 C CB . THR A 0 47 . -25.084 -12.221 19.821 1.00 85.30 47 A 1 ATOM 409 O O . THR A 0 47 . -27.311 -12.063 21.839 1.00 85.30 47 A 1 ATOM 410 C CG2 . THR A 0 47 . -24.573 -13.115 18.691 1.00 85.30 47 A 1 ATOM 411 O OG1 . THR A 0 47 . -24.213 -11.116 19.951 1.00 85.30 47 A 1 ATOM 412 N N . THR A 0 48 . -27.280 -9.946 21.053 1.00 75.07 48 A 1 ATOM 413 C CA . THR A 0 48 . -27.941 -9.289 22.197 1.00 75.07 48 A 1 ATOM 414 C C . THR A 0 48 . -29.439 -9.186 21.993 1.00 75.07 48 A 1 ATOM 415 C CB . THR A 0 48 . -27.407 -7.877 22.423 1.00 75.07 48 A 1 ATOM 416 O O . THR A 0 48 . -30.177 -9.508 22.949 1.00 75.07 48 A 1 ATOM 417 C CG2 . THR A 0 48 . -25.978 -7.886 22.959 1.00 75.07 48 A 1 ATOM 418 O OG1 . THR A 0 48 . -27.450 -7.166 21.211 1.00 75.07 48 A 1 ATOM 419 O OXT . THR A 0 48 . -29.799 -8.702 20.902 1.00 75.07 48 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 92.17 # loop_ _atom_type.symbol C N O S #