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 ALA 0 3 SER 0 4 THR 0 5 PHE 0 6 ARG 0 7 ALA 0 8 ALA 0 9 LYS 0 10 GLU 0 11 ILE 0 12 LYS 0 13 ASP 0 14 ASP 0 15 TRP 0 16 GLY 0 17 ASN 0 18 ARG 0 19 GLU 0 20 ARG 0 21 ILE 0 22 ASP 0 23 VAL 0 24 ILE 0 25 THR 0 26 THR 0 27 ASN 0 28 ILE 0 29 LYS 0 30 SER 0 31 LEU 0 32 VAL 0 33 ASN 0 34 PHE 0 35 LEU 0 36 ASN 0 37 ARG 0 38 PHE 0 39 ASP 0 40 SER 0 41 SER 0 42 CYS 0 43 ARG 0 44 THR 0 45 LYS 0 46 LEU 0 47 SER 0 48 GLN 0 49 LEU 0 50 ASP 0 51 SER 0 52 LYS 0 53 LEU 0 54 THR 0 55 ASN 0 56 ALA 0 57 GLU 0 58 LYS 0 59 HIS 0 60 VAL 0 61 ASP 0 62 LEU 0 63 LEU 0 64 GLU 0 65 ALA 0 66 HIS 0 67 VAL 0 68 HIS 0 69 ARG 0 70 ILE 0 71 LEU 0 72 SER 0 73 GLN 0 74 GLN 0 75 ASN 0 76 HIS 0 77 GLN 0 78 ARG 0 79 PRO 0 80 THR 0 81 LEU 0 82 LYS 0 83 SER 0 84 PRO 0 85 GLN 0 86 HIS 0 87 SER 0 88 LEU 0 89 THR 0 90 PRO 0 91 ASN 0 92 ASP # 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 . 28.048 11.214 -50.127 1.00 70.58 1 A 1 ATOM 2 C CA . MET A 0 1 . 27.243 9.977 -49.979 1.00 70.58 1 A 1 ATOM 3 C C . MET A 0 1 . 27.445 9.264 -48.635 1.00 70.58 1 A 1 ATOM 4 C CB . MET A 0 1 . 27.433 9.022 -51.167 1.00 70.58 1 A 1 ATOM 5 O O . MET A 0 1 . 26.478 8.733 -48.113 1.00 70.58 1 A 1 ATOM 6 C CG . MET A 0 1 . 26.760 9.588 -52.424 1.00 70.58 1 A 1 ATOM 7 S SD . MET A 0 1 . 26.595 8.398 -53.776 1.00 70.58 1 A 1 ATOM 8 C CE . MET A 0 1 . 28.074 8.744 -54.766 1.00 70.58 1 A 1 ATOM 9 N N . ALA A 0 2 . 28.635 9.261 -48.018 1.00 81.92 2 A 1 ATOM 10 C CA . ALA A 0 2 . 28.815 8.616 -46.705 1.00 81.92 2 A 1 ATOM 11 C C . ALA A 0 2 . 27.988 9.268 -45.572 1.00 81.92 2 A 1 ATOM 12 C CB . ALA A 0 2 . 30.311 8.609 -46.374 1.00 81.92 2 A 1 ATOM 13 O O . ALA A 0 2 . 27.342 8.568 -44.794 1.00 81.92 2 A 1 ATOM 14 N N . SER A 0 3 . 27.942 10.605 -45.513 1.00 87.30 3 A 1 ATOM 15 C CA . SER A 0 3 . 27.203 11.337 -44.472 1.00 87.30 3 A 1 ATOM 16 C C . SER A 0 3 . 25.697 11.066 -44.502 1.00 87.30 3 A 1 ATOM 17 C CB . SER A 0 3 . 27.443 12.848 -44.597 1.00 87.30 3 A 1 ATOM 18 O O . SER A 0 3 . 25.077 10.957 -43.452 1.00 87.30 3 A 1 ATOM 19 O OG . SER A 0 3 . 28.812 13.107 -44.855 1.00 87.30 3 A 1 ATOM 20 N N . THR A 0 4 . 25.111 10.894 -45.692 1.00 90.68 4 A 1 ATOM 21 C CA . THR A 0 4 . 23.680 10.589 -45.846 1.00 90.68 4 A 1 ATOM 22 C C . THR A 0 4 . 23.347 9.179 -45.367 1.00 90.68 4 A 1 ATOM 23 C CB . THR A 0 4 . 23.217 10.778 -47.301 1.00 90.68 4 A 1 ATOM 24 O O . THR A 0 4 . 22.320 8.985 -44.728 1.00 90.68 4 A 1 ATOM 25 C CG2 . THR A 0 4 . 23.256 12.246 -47.718 1.00 90.68 4 A 1 ATOM 26 O OG1 . THR A 0 4 . 24.068 10.107 -48.204 1.00 90.68 4 A 1 ATOM 27 N N . PHE A 0 5 . 24.226 8.199 -45.609 1.00 92.24 5 A 1 ATOM 28 C CA . PHE A 0 5 . 24.043 6.839 -45.090 1.00 92.24 5 A 1 ATOM 29 C C . PHE A 0 5 . 24.157 6.790 -43.561 1.00 92.24 5 A 1 ATOM 30 C CB . PHE A 0 5 . 25.062 5.901 -45.744 1.00 92.24 5 A 1 ATOM 31 O O . PHE A 0 5 . 23.340 6.152 -42.899 1.00 92.24 5 A 1 ATOM 32 C CG . PHE A 0 5 . 24.913 4.462 -45.289 1.00 92.24 5 A 1 ATOM 33 C CD1 . PHE A 0 5 . 25.724 3.954 -44.256 1.00 92.24 5 A 1 ATOM 34 C CD2 . PHE A 0 5 . 23.935 3.639 -45.878 1.00 92.24 5 A 1 ATOM 35 C CE1 . PHE A 0 5 . 25.563 2.626 -43.823 1.00 92.24 5 A 1 ATOM 36 C CE2 . PHE A 0 5 . 23.776 2.312 -45.445 1.00 92.24 5 A 1 ATOM 37 C CZ . PHE A 0 5 . 24.591 1.804 -44.418 1.00 92.24 5 A 1 ATOM 38 N N . ARG A 0 6 . 25.134 7.508 -42.991 1.00 92.60 6 A 1 ATOM 39 C CA . ARG A 0 6 . 25.277 7.637 -41.536 1.00 92.60 6 A 1 ATOM 40 C C . ARG A 0 6 . 24.042 8.285 -40.909 1.00 92.60 6 A 1 ATOM 41 C CB . ARG A 0 6 . 26.563 8.403 -41.210 1.00 92.60 6 A 1 ATOM 42 O O . ARG A 0 6 . 23.497 7.716 -39.973 1.00 92.60 6 A 1 ATOM 43 C CG . ARG A 0 6 . 26.749 8.527 -39.694 1.00 92.60 6 A 1 ATOM 44 C CD . ARG A 0 6 . 28.079 9.196 -39.362 1.00 92.60 6 A 1 ATOM 45 N NE . ARG A 0 6 . 28.189 9.374 -37.913 1.00 92.60 6 A 1 ATOM 46 N NH1 . ARG A 0 6 . 30.443 9.804 -37.782 1.00 92.60 6 A 1 ATOM 47 N NH2 . ARG A 0 6 . 29.191 9.702 -35.925 1.00 92.60 6 A 1 ATOM 48 C CZ . ARG A 0 6 . 29.278 9.624 -37.218 1.00 92.60 6 A 1 ATOM 49 N N . ALA A 0 7 . 23.567 9.394 -41.475 1.00 92.86 7 A 1 ATOM 50 C CA . ALA A 0 7 . 22.348 10.053 -41.016 1.00 92.86 7 A 1 ATOM 51 C C . ALA A 0 7 . 21.127 9.122 -41.104 1.00 92.86 7 A 1 ATOM 52 C CB . ALA A 0 7 . 22.140 11.327 -41.844 1.00 92.86 7 A 1 ATOM 53 O O . ALA A 0 7 . 20.349 9.042 -40.163 1.00 92.86 7 A 1 ATOM 54 N N . ALA A 0 8 . 20.977 8.357 -42.191 1.00 94.27 8 A 1 ATOM 55 C CA . ALA A 0 8 . 19.884 7.393 -42.326 1.00 94.27 8 A 1 ATOM 56 C C . ALA A 0 8 . 19.939 6.285 -41.259 1.00 94.27 8 A 1 ATOM 57 C CB . ALA A 0 8 . 19.918 6.810 -43.742 1.00 94.27 8 A 1 ATOM 58 O O . ALA A 0 8 . 18.900 5.895 -40.724 1.00 94.27 8 A 1 ATOM 59 N N . LYS A 0 9 . 21.140 5.796 -40.921 1.00 95.01 9 A 1 ATOM 60 C CA . LYS A 0 9 . 21.333 4.835 -39.828 1.00 95.01 9 A 1 ATOM 61 C C . LYS A 0 9 . 20.986 5.453 -38.473 1.00 95.01 9 A 1 ATOM 62 C CB . LYS A 0 9 . 22.766 4.283 -39.860 1.00 95.01 9 A 1 ATOM 63 O O . LYS A 0 9 . 20.218 4.856 -37.733 1.00 95.01 9 A 1 ATOM 64 C CG . LYS A 0 9 . 22.945 3.221 -38.768 1.00 95.01 9 A 1 ATOM 65 C CD . LYS A 0 9 . 24.365 2.658 -38.730 1.00 95.01 9 A 1 ATOM 66 C CE . LYS A 0 9 . 24.426 1.710 -37.529 1.00 95.01 9 A 1 ATOM 67 N NZ . LYS A 0 9 . 25.793 1.186 -37.304 1.00 95.01 9 A 1 ATOM 68 N N . GLU A 0 10 . 21.497 6.648 -38.183 1.00 96.48 10 A 1 ATOM 69 C CA . GLU A 0 10 . 21.213 7.373 -36.937 1.00 96.48 10 A 1 ATOM 70 C C . GLU A 0 10 . 19.708 7.639 -36.773 1.00 96.48 10 A 1 ATOM 71 C CB . GLU A 0 10 . 22.022 8.686 -36.909 1.00 96.48 10 A 1 ATOM 72 O O . GLU A 0 10 . 19.161 7.418 -35.697 1.00 96.48 10 A 1 ATOM 73 C CG . GLU A 0 10 . 23.527 8.441 -36.661 1.00 96.48 10 A 1 ATOM 74 C CD . GLU A 0 10 . 24.428 9.681 -36.838 1.00 96.48 10 A 1 ATOM 75 O OE1 . GLU A 0 10 . 25.671 9.531 -36.660 1.00 96.48 10 A 1 ATOM 76 O OE2 . GLU A 0 10 . 23.922 10.753 -37.231 1.00 96.48 10 A 1 ATOM 77 N N . ILE A 0 11 . 19.013 8.007 -37.854 1.00 96.63 11 A 1 ATOM 78 C CA . ILE A 0 11 . 17.552 8.155 -37.865 1.00 96.63 11 A 1 ATOM 79 C C . ILE A 0 11 . 16.871 6.816 -37.561 1.00 96.63 11 A 1 ATOM 80 C CB . ILE A 0 11 . 17.085 8.759 -39.212 1.00 96.63 11 A 1 ATOM 81 O O . ILE A 0 11 . 15.985 6.765 -36.714 1.00 96.63 11 A 1 ATOM 82 C CG1 . ILE A 0 11 . 17.510 10.242 -39.314 1.00 96.63 11 A 1 ATOM 83 C CG2 . ILE A 0 11 . 15.557 8.647 -39.387 1.00 96.63 11 A 1 ATOM 84 C CD1 . ILE A 0 11 . 17.442 10.805 -40.742 1.00 96.63 11 A 1 ATOM 85 N N . LYS A 0 12 . 17.266 5.721 -38.226 1.00 96.61 12 A 1 ATOM 86 C CA . LYS A 0 12 . 16.690 4.385 -37.989 1.00 96.61 12 A 1 ATOM 87 C C . LYS A 0 12 . 16.883 3.922 -36.540 1.00 96.61 12 A 1 ATOM 88 C CB . LYS A 0 12 . 17.289 3.385 -38.987 1.00 96.61 12 A 1 ATOM 89 O O . LYS A 0 12 . 15.956 3.367 -35.953 1.00 96.61 12 A 1 ATOM 90 C CG . LYS A 0 12 . 16.617 2.011 -38.859 1.00 96.61 12 A 1 ATOM 91 C CD . LYS A 0 12 . 17.193 1.009 -39.861 1.00 96.61 12 A 1 ATOM 92 C CE . LYS A 0 12 . 16.506 -0.341 -39.634 1.00 96.61 12 A 1 ATOM 93 N NZ . LYS A 0 12 . 17.033 -1.388 -40.541 1.00 96.61 12 A 1 ATOM 94 N N . ASP A 0 13 . 18.058 4.164 -35.973 1.00 97.46 13 A 1 ATOM 95 C CA . ASP A 0 13 . 18.363 3.825 -34.585 1.00 97.46 13 A 1 ATOM 96 C C . ASP A 0 13 . 17.528 4.688 -33.610 1.00 97.46 13 A 1 ATOM 97 C CB . ASP A 0 13 . 19.885 3.948 -34.348 1.00 97.46 13 A 1 ATOM 98 O O . ASP A 0 13 . 17.022 4.170 -32.612 1.00 97.46 13 A 1 ATOM 99 C CG . ASP A 0 13 . 20.751 2.920 -35.115 1.00 97.46 13 A 1 ATOM 100 O OD1 . ASP A 0 13 . 20.210 1.895 -35.594 1.00 97.46 13 A 1 ATOM 101 O OD2 . ASP A 0 13 . 21.988 3.128 -35.203 1.00 97.46 13 A 1 ATOM 102 N N . ASP A 0 14 . 17.292 5.971 -33.926 1.00 97.94 14 A 1 ATOM 103 C CA . ASP A 0 14 . 16.391 6.853 -33.166 1.00 97.94 14 A 1 ATOM 104 C C . ASP A 0 14 . 14.941 6.340 -33.169 1.00 97.94 14 A 1 ATOM 105 C CB . ASP A 0 14 . 16.467 8.299 -33.695 1.00 97.94 14 A 1 ATOM 106 O O . ASP A 0 14 . 14.310 6.295 -32.113 1.00 97.94 14 A 1 ATOM 107 C CG . ASP A 0 14 . 15.687 9.283 -32.812 1.00 97.94 14 A 1 ATOM 108 O OD1 . ASP A 0 14 . 15.963 9.339 -31.597 1.00 97.94 14 A 1 ATOM 109 O OD2 . ASP A 0 14 . 14.790 10.000 -33.321 1.00 97.94 14 A 1 ATOM 110 N N . TRP A 0 15 . 14.428 5.855 -34.308 1.00 98.33 15 A 1 ATOM 111 C CA . TRP A 0 15 . 13.102 5.221 -34.371 1.00 98.33 15 A 1 ATOM 112 C C . TRP A 0 15 . 12.988 4.032 -33.408 1.00 98.33 15 A 1 ATOM 113 C CB . TRP A 0 15 . 12.764 4.783 -35.803 1.00 98.33 15 A 1 ATOM 114 O O . TRP A 0 15 . 12.040 3.969 -32.624 1.00 98.33 15 A 1 ATOM 115 C CG . TRP A 0 15 . 12.416 5.895 -36.741 1.00 98.33 15 A 1 ATOM 116 C CD1 . TRP A 0 15 . 13.197 6.381 -37.728 1.00 98.33 15 A 1 ATOM 117 C CD2 . TRP A 0 15 . 11.176 6.656 -36.815 1.00 98.33 15 A 1 ATOM 118 C CE2 . TRP A 0 15 . 11.304 7.632 -37.849 1.00 98.33 15 A 1 ATOM 119 C CE3 . TRP A 0 15 . 9.947 6.607 -36.125 1.00 98.33 15 A 1 ATOM 120 N NE1 . TRP A 0 15 . 12.566 7.432 -38.358 1.00 98.33 15 A 1 ATOM 121 C CH2 . TRP A 0 15 . 9.062 8.446 -37.472 1.00 98.33 15 A 1 ATOM 122 C CZ2 . TRP A 0 15 . 10.275 8.524 -38.176 1.00 98.33 15 A 1 ATOM 123 C CZ3 . TRP A 0 15 . 8.900 7.489 -36.453 1.00 98.33 15 A 1 ATOM 124 N N . GLY A 0 16 . 13.975 3.130 -33.407 1.00 98.14 16 A 1 ATOM 125 C CA . GLY A 0 16 . 13.987 1.977 -32.499 1.00 98.14 16 A 1 ATOM 126 C C . GLY A 0 16 . 14.125 2.370 -31.023 1.00 98.14 16 A 1 ATOM 127 O O . GLY A 0 16 . 13.558 1.728 -30.137 1.00 98.14 16 A 1 ATOM 128 N N . ASN A 0 17 . 14.849 3.452 -30.732 1.00 98.37 17 A 1 ATOM 129 C CA . ASN A 0 17 . 14.945 3.991 -29.377 1.00 98.37 17 A 1 ATOM 130 C C . ASN A 0 17 . 13.622 4.604 -28.905 1.00 98.37 17 A 1 ATOM 131 C CB . ASN A 0 17 . 16.103 4.997 -29.310 1.00 98.37 17 A 1 ATOM 132 O O . ASN A 0 17 . 13.219 4.352 -27.767 1.00 98.37 17 A 1 ATOM 133 C CG . ASN A 0 17 . 17.472 4.347 -29.382 1.00 98.37 17 A 1 ATOM 134 N ND2 . ASN A 0 17 . 18.499 5.134 -29.587 1.00 98.37 17 A 1 ATOM 135 O OD1 . ASN A 0 17 . 17.648 3.151 -29.173 1.00 98.37 17 A 1 ATOM 136 N N . ARG A 0 18 . 12.928 5.357 -29.768 1.00 98.59 18 A 1 ATOM 137 C CA . ARG A 0 18 . 11.610 5.933 -29.463 1.00 98.59 18 A 1 ATOM 138 C C . ARG A 0 18 . 10.563 4.857 -29.206 1.00 98.59 18 A 1 ATOM 139 C CB . ARG A 0 18 . 11.148 6.847 -30.602 1.00 98.59 18 A 1 ATOM 140 O O . ARG A 0 18 . 9.840 4.967 -28.222 1.00 98.59 18 A 1 ATOM 141 C CG . ARG A 0 18 . 11.940 8.157 -30.660 1.00 98.59 18 A 1 ATOM 142 C CD . ARG A 0 18 . 11.411 8.997 -31.821 1.00 98.59 18 A 1 ATOM 143 N NE . ARG A 0 18 . 12.311 10.118 -32.100 1.00 98.59 18 A 1 ATOM 144 N NH1 . ARG A 0 18 . 10.784 11.704 -32.763 1.00 98.59 18 A 1 ATOM 145 N NH2 . ARG A 0 18 . 12.993 12.098 -32.874 1.00 98.59 18 A 1 ATOM 146 C CZ . ARG A 0 18 . 12.013 11.307 -32.568 1.00 98.59 18 A 1 ATOM 147 N N . GLU A 0 19 . 10.525 3.803 -30.020 1.00 98.32 19 A 1 ATOM 148 C CA . GLU A 0 19 . 9.630 2.658 -29.805 1.00 98.32 19 A 1 ATOM 149 C C . GLU A 0 19 . 9.880 2.008 -28.435 1.00 98.32 19 A 1 ATOM 150 C CB . GLU A 0 19 . 9.828 1.653 -30.948 1.00 98.32 19 A 1 ATOM 151 O O . GLU A 0 19 . 8.950 1.804 -27.657 1.00 98.32 19 A 1 ATOM 152 C CG . GLU A 0 19 . 8.881 0.447 -30.848 1.00 98.32 19 A 1 ATOM 153 C CD . GLU A 0 19 . 9.062 -0.551 -32.004 1.00 98.32 19 A 1 ATOM 154 O OE1 . GLU A 0 19 . 8.128 -1.355 -32.217 1.00 98.32 19 A 1 ATOM 155 O OE2 . GLU A 0 19 . 10.140 -0.533 -32.645 1.00 98.32 19 A 1 ATOM 156 N N . ARG A 0 20 . 11.150 1.775 -28.072 1.00 98.44 20 A 1 ATOM 157 C CA . ARG A 0 20 . 11.506 1.224 -26.754 1.00 98.44 20 A 1 ATOM 158 C C . ARG A 0 20 . 11.030 2.113 -25.603 1.00 98.44 20 A 1 ATOM 159 C CB . ARG A 0 20 . 13.021 1.003 -26.699 1.00 98.44 20 A 1 ATOM 160 O O . ARG A 0 20 . 10.508 1.603 -24.612 1.00 98.44 20 A 1 ATOM 161 C CG . ARG A 0 20 . 13.434 0.142 -25.492 1.00 98.44 20 A 1 ATOM 162 C CD . ARG A 0 20 . 14.957 0.039 -25.338 1.00 98.44 20 A 1 ATOM 163 N NE . ARG A 0 20 . 15.617 -0.361 -26.600 1.00 98.44 20 A 1 ATOM 164 N NH1 . ARG A 0 20 . 16.590 1.657 -27.112 1.00 98.44 20 A 1 ATOM 165 N NH2 . ARG A 0 20 . 16.719 0.008 -28.572 1.00 98.44 20 A 1 ATOM 166 C CZ . ARG A 0 20 . 16.303 0.426 -27.413 1.00 98.44 20 A 1 ATOM 167 N N . ILE A 0 21 . 11.216 3.429 -25.722 1.00 98.52 21 A 1 ATOM 168 C CA . ILE A 0 21 . 10.756 4.402 -24.722 1.00 98.52 21 A 1 ATOM 169 C C . ILE A 0 21 . 9.227 4.391 -24.617 1.00 98.52 21 A 1 ATOM 170 C CB . ILE A 0 21 . 11.310 5.811 -25.042 1.00 98.52 21 A 1 ATOM 171 O O . ILE A 0 21 . 8.704 4.459 -23.503 1.00 98.52 21 A 1 ATOM 172 C CG1 . ILE A 0 21 . 12.838 5.845 -24.803 1.00 98.52 21 A 1 ATOM 173 C CG2 . ILE A 0 21 . 10.626 6.900 -24.189 1.00 98.52 21 A 1 ATOM 174 C CD1 . ILE A 0 21 . 13.527 7.088 -25.382 1.00 98.52 21 A 1 ATOM 175 N N . ASP A 0 22 . 8.505 4.269 -25.732 1.00 98.53 22 A 1 ATOM 176 C CA . ASP A 0 22 . 7.040 4.242 -25.741 1.00 98.53 22 A 1 ATOM 177 C C . ASP A 0 22 . 6.475 2.978 -25.076 1.00 98.53 22 A 1 ATOM 178 C CB . ASP A 0 22 . 6.521 4.402 -27.174 1.00 98.53 22 A 1 ATOM 179 O O . ASP A 0 22 . 5.566 3.067 -24.246 1.00 98.53 22 A 1 ATOM 180 C CG . ASP A 0 22 . 5.004 4.611 -27.168 1.00 98.53 22 A 1 ATOM 181 O OD1 . ASP A 0 22 . 4.556 5.537 -26.448 1.00 98.53 22 A 1 ATOM 182 O OD2 . ASP A 0 22 . 4.306 3.834 -27.849 1.00 98.53 22 A 1 ATOM 183 N N . VAL A 0 23 . 7.085 1.811 -25.322 1.00 98.48 23 A 1 ATOM 184 C CA . VAL A 0 23 . 6.730 0.563 -24.623 1.00 98.48 23 A 1 ATOM 185 C C . VAL A 0 23 . 6.925 0.706 -23.112 1.00 98.48 23 A 1 ATOM 186 C CB . VAL A 0 23 . 7.529 -0.640 -25.167 1.00 98.48 23 A 1 ATOM 187 O O . VAL A 0 23 . 6.023 0.388 -22.333 1.00 98.48 23 A 1 ATOM 188 C CG1 . VAL A 0 23 . 7.251 -1.916 -24.357 1.00 98.48 23 A 1 ATOM 189 C CG2 . VAL A 0 23 . 7.154 -0.937 -26.624 1.00 98.48 23 A 1 ATOM 190 N N . ILE A 0 24 . 8.077 1.227 -22.673 1.00 98.47 24 A 1 ATOM 191 C CA . ILE A 0 24 . 8.354 1.453 -21.244 1.00 98.47 24 A 1 ATOM 192 C C . ILE A 0 24 . 7.338 2.436 -20.651 1.00 98.47 24 A 1 ATOM 193 C CB . ILE A 0 24 . 9.807 1.940 -21.045 1.00 98.47 24 A 1 ATOM 194 O O . ILE A 0 24 . 6.764 2.178 -19.593 1.00 98.47 24 A 1 ATOM 195 C CG1 . ILE A 0 24 . 10.804 0.815 -21.407 1.00 98.47 24 A 1 ATOM 196 C CG2 . ILE A 0 24 . 10.041 2.401 -19.592 1.00 98.47 24 A 1 ATOM 197 C CD1 . ILE A 0 24 . 12.251 1.302 -21.559 1.00 98.47 24 A 1 ATOM 198 N N . THR A 0 25 . 7.074 3.539 -21.350 1.00 98.65 25 A 1 ATOM 199 C CA . THR A 0 25 . 6.117 4.567 -20.925 1.00 98.65 25 A 1 ATOM 200 C C . THR A 0 25 . 4.707 3.996 -20.780 1.00 98.65 25 A 1 ATOM 201 C CB . THR A 0 25 . 6.120 5.733 -21.925 1.00 98.65 25 A 1 ATOM 202 O O . THR A 0 25 . 4.018 4.279 -19.799 1.00 98.65 25 A 1 ATOM 203 C CG2 . THR A 0 25 . 5.130 6.831 -21.537 1.00 98.65 25 A 1 ATOM 204 O OG1 . THR A 0 25 . 7.399 6.318 -21.954 1.00 98.65 25 A 1 ATOM 205 N N . THR A 0 26 . 4.276 3.160 -21.723 1.00 98.68 26 A 1 ATOM 206 C CA . THR A 0 26 . 2.971 2.489 -21.695 1.00 98.68 26 A 1 ATOM 207 C C . THR A 0 26 . 2.867 1.515 -20.524 1.00 98.68 26 A 1 ATOM 208 C CB . THR A 0 26 . 2.717 1.794 -23.038 1.00 98.68 26 A 1 ATOM 209 O O . THR A 0 26 . 1.867 1.524 -19.802 1.00 98.68 26 A 1 ATOM 210 C CG2 . THR A 0 26 . 1.389 1.038 -23.073 1.00 98.68 26 A 1 ATOM 211 O OG1 . THR A 0 26 . 2.634 2.801 -24.018 1.00 98.68 26 A 1 ATOM 212 N N . ASN A 0 27 . 3.924 0.746 -20.256 1.00 98.58 27 A 1 ATOM 213 C CA . ASN A 0 27 . 3.976 -0.157 -19.108 1.00 98.58 27 A 1 ATOM 214 C C . ASN A 0 27 . 3.911 0.607 -17.776 1.00 98.58 27 A 1 ATOM 215 C CB . ASN A 0 27 . 5.235 -1.031 -19.218 1.00 98.58 27 A 1 ATOM 216 O O . ASN A 0 27 . 3.144 0.224 -16.893 1.00 98.58 27 A 1 ATOM 217 C CG . ASN A 0 27 . 5.139 -2.059 -20.332 1.00 98.58 27 A 1 ATOM 218 N ND2 . ASN A 0 27 . 6.241 -2.666 -20.702 1.00 98.58 27 A 1 ATOM 219 O OD1 . ASN A 0 27 . 4.081 -2.364 -20.854 1.00 98.58 27 A 1 ATOM 220 N N . ILE A 0 28 . 4.633 1.727 -17.645 1.00 98.69 28 A 1 ATOM 221 C CA . ILE A 0 28 . 4.564 2.593 -16.455 1.00 98.69 28 A 1 ATOM 222 C C . ILE A 0 28 . 3.147 3.153 -16.272 1.00 98.69 28 A 1 ATOM 223 C CB . ILE A 0 28 . 5.631 3.712 -16.522 1.00 98.69 28 A 1 ATOM 224 O O . ILE A 0 28 . 2.601 3.075 -15.172 1.00 98.69 28 A 1 ATOM 225 C CG1 . ILE A 0 28 . 7.044 3.102 -16.366 1.00 98.69 28 A 1 ATOM 226 C CG2 . ILE A 0 28 . 5.398 4.775 -15.428 1.00 98.69 28 A 1 ATOM 227 C CD1 . ILE A 0 28 . 8.182 4.084 -16.672 1.00 98.69 28 A 1 ATOM 228 N N . LYS A 0 29 . 2.507 3.658 -17.337 1.00 98.62 29 A 1 ATOM 229 C CA . LYS A 0 29 . 1.111 4.133 -17.283 1.00 98.62 29 A 1 ATOM 230 C C . LYS A 0 29 . 0.153 3.031 -16.821 1.00 98.62 29 A 1 ATOM 231 C CB . LYS A 0 29 . 0.673 4.660 -18.658 1.00 98.62 29 A 1 ATOM 232 O O . LYS A 0 29 . -0.729 3.292 -16.006 1.00 98.62 29 A 1 ATOM 233 C CG . LYS A 0 29 . 1.277 6.026 -19.018 1.00 98.62 29 A 1 ATOM 234 C CD . LYS A 0 29 . 0.993 6.337 -20.496 1.00 98.62 29 A 1 ATOM 235 C CE . LYS A 0 29 . 1.614 7.670 -20.928 1.00 98.62 29 A 1 ATOM 236 N NZ . LYS A 0 29 . 1.610 7.811 -22.410 1.00 98.62 29 A 1 ATOM 237 N N . SER A 0 30 . 0.335 1.804 -17.308 1.00 98.56 30 A 1 ATOM 238 C CA . SER A 0 30 . -0.462 0.645 -16.892 1.00 98.56 30 A 1 ATOM 239 C C . SER A 0 30 . -0.288 0.332 -15.400 1.00 98.56 30 A 1 ATOM 240 C CB . SER A 0 30 . -0.097 -0.568 -17.748 1.00 98.56 30 A 1 ATOM 241 O O . SER A 0 30 . -1.281 0.197 -14.684 1.00 98.56 30 A 1 ATOM 242 O OG . SER A 0 30 . -1.000 -1.619 -17.481 1.00 98.56 30 A 1 ATOM 243 N N . LEU A 0 31 . 0.954 0.315 -14.900 1.00 98.71 31 A 1 ATOM 244 C CA . LEU A 0 31 . 1.255 0.106 -13.478 1.00 98.71 31 A 1 ATOM 245 C C . LEU A 0 31 . 0.640 1.194 -12.591 1.00 98.71 31 A 1 ATOM 246 C CB . LEU A 0 31 . 2.780 0.056 -13.270 1.00 98.71 31 A 1 ATOM 247 O O . LEU A 0 31 . 0.023 0.881 -11.576 1.00 98.71 31 A 1 ATOM 248 C CG . LEU A 0 31 . 3.469 -1.203 -13.822 1.00 98.71 31 A 1 ATOM 249 C CD1 . LEU A 0 31 . 4.985 -1.038 -13.707 1.00 98.71 31 A 1 ATOM 250 C CD2 . LEU A 0 31 . 3.062 -2.466 -13.060 1.00 98.71 31 A 1 ATOM 251 N N . VAL A 0 32 . 0.742 2.464 -12.989 1.00 98.77 32 A 1 ATOM 252 C CA . VAL A 0 32 . 0.125 3.583 -12.257 1.00 98.77 32 A 1 ATOM 253 C C . VAL A 0 32 . -1.400 3.450 -12.235 1.00 98.77 32 A 1 ATOM 254 C CB . VAL A 0 32 . 0.569 4.930 -12.859 1.00 98.77 32 A 1 ATOM 255 O O . VAL A 0 32 . -2.019 3.590 -11.182 1.00 98.77 32 A 1 ATOM 256 C CG1 . VAL A 0 32 . -0.200 6.118 -12.265 1.00 98.77 32 A 1 ATOM 257 C CG2 . VAL A 0 32 . 2.062 5.172 -12.598 1.00 98.77 32 A 1 ATOM 258 N N . ASN A 0 33 . -2.022 3.111 -13.368 1.00 98.59 33 A 1 ATOM 259 C CA . ASN A 0 33 . -3.464 2.867 -13.434 1.00 98.59 33 A 1 ATOM 260 C C . ASN A 0 33 . -3.898 1.699 -12.537 1.00 98.59 33 A 1 ATOM 261 C CB . ASN A 0 33 . -3.864 2.608 -14.895 1.00 98.59 33 A 1 ATOM 262 O O . ASN A 0 33 . -4.944 1.783 -11.889 1.00 98.59 33 A 1 ATOM 263 C CG . ASN A 0 33 . -3.919 3.872 -15.730 1.00 98.59 33 A 1 ATOM 264 N ND2 . ASN A 0 33 . -3.814 3.748 -17.032 1.00 98.59 33 A 1 ATOM 265 O OD1 . ASN A 0 33 . -4.125 4.970 -15.244 1.00 98.59 33 A 1 ATOM 266 N N . PHE A 0 34 . -3.104 0.627 -12.476 1.00 98.72 34 A 1 ATOM 267 C CA . PHE A 0 34 . -3.331 -0.479 -11.550 1.00 98.72 34 A 1 ATOM 268 C C . PHE A 0 34 . -3.252 -0.010 -10.095 1.00 98.72 34 A 1 ATOM 269 C CB . PHE A 0 34 . -2.340 -1.617 -11.829 1.00 98.72 34 A 1 ATOM 270 O O . PHE A 0 34 . -4.183 -0.274 -9.340 1.00 98.72 34 A 1 ATOM 271 C CG . PHE A 0 34 . -2.348 -2.682 -10.751 1.00 98.72 34 A 1 ATOM 272 C CD1 . PHE A 0 34 . -1.384 -2.652 -9.724 1.00 98.72 34 A 1 ATOM 273 C CD2 . PHE A 0 34 . -3.351 -3.668 -10.739 1.00 98.72 34 A 1 ATOM 274 C CE1 . PHE A 0 34 . -1.424 -3.605 -8.691 1.00 98.72 34 A 1 ATOM 275 C CE2 . PHE A 0 34 . -3.388 -4.624 -9.707 1.00 98.72 34 A 1 ATOM 276 C CZ . PHE A 0 34 . -2.426 -4.591 -8.683 1.00 98.72 34 A 1 ATOM 277 N N . LEU A 0 35 . -2.206 0.730 -9.713 1.00 98.76 35 A 1 ATOM 278 C CA . LEU A 0 35 . -2.033 1.228 -8.344 1.00 98.76 35 A 1 ATOM 279 C C . LEU A 0 35 . -3.176 2.155 -7.916 1.00 98.76 35 A 1 ATOM 280 C CB . LEU A 0 35 . -0.673 1.934 -8.214 1.00 98.76 35 A 1 ATOM 281 O O . LEU A 0 35 . -3.691 2.008 -6.812 1.00 98.76 35 A 1 ATOM 282 C CG . LEU A 0 35 . 0.542 0.987 -8.241 1.00 98.76 35 A 1 ATOM 283 C CD1 . LEU A 0 35 . 1.828 1.814 -8.240 1.00 98.76 35 A 1 ATOM 284 C CD2 . LEU A 0 35 . 0.577 0.041 -7.038 1.00 98.76 35 A 1 ATOM 285 N N . ASN A 0 36 . -3.652 3.030 -8.804 1.00 98.39 36 A 1 ATOM 286 C CA . ASN A 0 36 . -4.797 3.901 -8.522 1.00 98.39 36 A 1 ATOM 287 C C . ASN A 0 36 . -6.092 3.102 -8.283 1.00 98.39 36 A 1 ATOM 288 C CB . ASN A 0 36 . -4.964 4.878 -9.700 1.00 98.39 36 A 1 ATOM 289 O O . ASN A 0 36 . -6.865 3.394 -7.365 1.00 98.39 36 A 1 ATOM 290 C CG . ASN A 0 36 . -3.864 5.922 -9.771 1.00 98.39 36 A 1 ATOM 291 N ND2 . ASN A 0 36 . -3.639 6.508 -10.924 1.00 98.39 36 A 1 ATOM 292 O OD1 . ASN A 0 36 . -3.211 6.254 -8.801 1.00 98.39 36 A 1 ATOM 293 N N . ARG A 0 37 . -6.337 2.066 -9.099 1.00 98.55 37 A 1 ATOM 294 C CA . ARG A 0 37 . -7.488 1.162 -8.929 1.00 98.55 37 A 1 ATOM 295 C C . ARG A 0 37 . -7.354 0.304 -7.674 1.00 98.55 37 A 1 ATOM 296 C CB . ARG A 0 37 . -7.641 0.265 -10.166 1.00 98.55 37 A 1 ATOM 297 O O . ARG A 0 37 . -8.352 0.063 -6.996 1.00 98.55 37 A 1 ATOM 298 C CG . ARG A 0 37 . -8.163 1.042 -11.380 1.00 98.55 37 A 1 ATOM 299 C CD . ARG A 0 37 . -8.230 0.120 -12.603 1.00 98.55 37 A 1 ATOM 300 N NE . ARG A 0 37 . -8.773 0.820 -13.783 1.00 98.55 37 A 1 ATOM 301 N NH1 . ARG A 0 37 . -11.014 0.513 -13.364 1.00 98.55 37 A 1 ATOM 302 N NH2 . ARG A 0 37 . -10.374 1.626 -15.186 1.00 98.55 37 A 1 ATOM 303 C CZ . ARG A 0 37 . -10.046 0.980 -14.103 1.00 98.55 37 A 1 ATOM 304 N N . PHE A 0 38 . -6.140 -0.143 -7.368 1.00 98.66 38 A 1 ATOM 305 C CA . PHE A 0 38 . -5.828 -0.923 -6.180 1.00 98.66 38 A 1 ATOM 306 C C . PHE A 0 38 . -6.069 -0.107 -4.909 1.00 98.66 38 A 1 ATOM 307 C CB . PHE A 0 38 . -4.387 -1.439 -6.267 1.00 98.66 38 A 1 ATOM 308 O O . PHE A 0 38 . -6.804 -0.577 -4.044 1.00 98.66 38 A 1 ATOM 309 C CG . PHE A 0 38 . -3.988 -2.265 -5.065 1.00 98.66 38 A 1 ATOM 310 C CD1 . PHE A 0 38 . -3.192 -1.701 -4.050 1.00 98.66 38 A 1 ATOM 311 C CD2 . PHE A 0 38 . -4.442 -3.592 -4.945 1.00 98.66 38 A 1 ATOM 312 C CE1 . PHE A 0 38 . -2.844 -2.467 -2.924 1.00 98.66 38 A 1 ATOM 313 C CE2 . PHE A 0 38 . -4.097 -4.355 -3.816 1.00 98.66 38 A 1 ATOM 314 C CZ . PHE A 0 38 . -3.295 -3.793 -2.808 1.00 98.66 38 A 1 ATOM 315 N N . ASP A 0 39 . -5.556 1.126 -4.835 1.00 98.50 39 A 1 ATOM 316 C CA . ASP A 0 39 . -5.813 2.050 -3.722 1.00 98.50 39 A 1 ATOM 317 C C . ASP A 0 39 . -7.316 2.266 -3.515 1.00 98.50 39 A 1 ATOM 318 C CB . ASP A 0 39 . -5.119 3.399 -3.970 1.00 98.50 39 A 1 ATOM 319 O O . ASP A 0 39 . -7.842 2.023 -2.429 1.00 98.50 39 A 1 ATOM 320 C CG . ASP A 0 39 . -5.433 4.369 -2.823 1.00 98.50 39 A 1 ATOM 321 O OD1 . ASP A 0 39 . -4.966 4.088 -1.700 1.00 98.50 39 A 1 ATOM 322 O OD2 . ASP A 0 39 . -6.212 5.327 -3.041 1.00 98.50 39 A 1 ATOM 323 N N . SER A 0 40 . -8.035 2.603 -4.589 1.00 98.35 40 A 1 ATOM 324 C CA . SER A 0 40 . -9.488 2.805 -4.540 1.00 98.35 40 A 1 ATOM 325 C C . SER A 0 40 . -10.219 1.565 -4.008 1.00 98.35 40 A 1 ATOM 326 C CB . SER A 0 40 . -10.024 3.157 -5.930 1.00 98.35 40 A 1 ATOM 327 O O . SER A 0 40 . -11.044 1.668 -3.102 1.00 98.35 40 A 1 ATOM 328 O OG . SER A 0 40 . -9.438 4.344 -6.426 1.00 98.35 40 A 1 ATOM 329 N N . SER A 0 41 . -9.877 0.375 -4.516 1.00 98.53 41 A 1 ATOM 330 C CA . SER A 0 41 . -10.438 -0.898 -4.047 1.00 98.53 41 A 1 ATOM 331 C C . SER A 0 41 . -10.123 -1.153 -2.569 1.00 98.53 41 A 1 ATOM 332 C CB . SER A 0 41 . -9.912 -2.044 -4.923 1.00 98.53 41 A 1 ATOM 333 O O . SER A 0 41 . -11.001 -1.577 -1.817 1.00 98.53 41 A 1 ATOM 334 O OG . SER A 0 41 . -10.166 -3.312 -4.338 1.00 98.53 41 A 1 ATOM 335 N N . CYS A 0 42 . -8.884 -0.913 -2.137 1.00 98.66 42 A 1 ATOM 336 C CA . CYS A 0 42 . -8.477 -1.065 -0.743 1.00 98.66 42 A 1 ATOM 337 C C . CYS A 0 42 . -9.263 -0.121 0.170 1.00 98.66 42 A 1 ATOM 338 C CB . CYS A 0 42 . -6.963 -0.850 -0.633 1.00 98.66 42 A 1 ATOM 339 O O . CYS A 0 42 . -9.824 -0.581 1.162 1.00 98.66 42 A 1 ATOM 340 S SG . CYS A 0 42 . -6.129 -2.347 -1.231 1.00 98.66 42 A 1 ATOM 341 N N . ARG A 0 43 . -9.402 1.158 -0.196 1.00 98.68 43 A 1 ATOM 342 C CA . ARG A 0 43 . -10.190 2.143 0.561 1.00 98.68 43 A 1 ATOM 343 C C . ARG A 0 43 . -11.656 1.735 0.687 1.00 98.68 43 A 1 ATOM 344 C CB . ARG A 0 43 . -10.063 3.521 -0.098 1.00 98.68 43 A 1 ATOM 345 O O . ARG A 0 43 . -12.205 1.797 1.785 1.00 98.68 43 A 1 ATOM 346 C CG . ARG A 0 43 . -8.655 4.107 0.086 1.00 98.68 43 A 1 ATOM 347 C CD . ARG A 0 43 . -8.506 5.448 -0.633 1.00 98.68 43 A 1 ATOM 348 N NE . ARG A 0 43 . -9.350 6.494 -0.014 1.00 98.68 43 A 1 ATOM 349 N NH1 . ARG A 0 43 . -8.292 8.264 -0.995 1.00 98.68 43 A 1 ATOM 350 N NH2 . ARG A 0 43 . -9.968 8.638 0.447 1.00 98.68 43 A 1 ATOM 351 C CZ . ARG A 0 43 . -9.203 7.793 -0.190 1.00 98.68 43 A 1 ATOM 352 N N . THR A 0 44 . -12.280 1.259 -0.393 1.00 98.68 44 A 1 ATOM 353 C CA . THR A 0 44 . -13.658 0.746 -0.342 1.00 98.68 44 A 1 ATOM 354 C C . THR A 0 44 . -13.777 -0.465 0.582 1.00 98.68 44 A 1 ATOM 355 C CB . THR A 0 44 . -14.168 0.380 -1.743 1.00 98.68 44 A 1 ATOM 356 O O . THR A 0 44 . -14.677 -0.504 1.417 1.00 98.68 44 A 1 ATOM 357 C CG2 . THR A 0 44 . -15.612 -0.123 -1.740 1.00 98.68 44 A 1 ATOM 358 O OG1 . THR A 0 44 . -14.144 1.510 -2.579 1.00 98.68 44 A 1 ATOM 359 N N . LYS A 0 45 . -12.867 -1.443 0.480 1.00 98.66 45 A 1 ATOM 360 C CA . LYS A 0 45 . -12.886 -2.637 1.342 1.00 98.66 45 A 1 ATOM 361 C C . LYS A 0 45 . -12.656 -2.291 2.815 1.00 98.66 45 A 1 ATOM 362 C CB . LYS A 0 45 . -11.845 -3.657 0.865 1.00 98.66 45 A 1 ATOM 363 O O . LYS A 0 45 . -13.361 -2.820 3.666 1.00 98.66 45 A 1 ATOM 364 C CG . LYS A 0 45 . -12.266 -4.353 -0.437 1.00 98.66 45 A 1 ATOM 365 C CD . LYS A 0 45 . -11.169 -5.323 -0.888 1.00 98.66 45 A 1 ATOM 366 C CE . LYS A 0 45 . -11.546 -5.958 -2.229 1.00 98.66 45 A 1 ATOM 367 N NZ . LYS A 0 45 . -10.523 -6.938 -2.670 1.00 98.66 45 A 1 ATOM 368 N N . LEU A 0 46 . -11.721 -1.387 3.113 1.00 98.75 46 A 1 ATOM 369 C CA . LEU A 0 46 . -11.477 -0.901 4.473 1.00 98.75 46 A 1 ATOM 370 C C . LEU A 0 46 . -12.704 -0.180 5.034 1.00 98.75 46 A 1 ATOM 371 C CB . LEU A 0 46 . -10.242 0.017 4.496 1.00 98.75 46 A 1 ATOM 372 O O . LEU A 0 46 . -13.123 -0.500 6.136 1.00 98.75 46 A 1 ATOM 373 C CG . LEU A 0 46 . -8.897 -0.722 4.376 1.00 98.75 46 A 1 ATOM 374 C CD1 . LEU A 0 46 . -7.771 0.298 4.211 1.00 98.75 46 A 1 ATOM 375 C CD2 . LEU A 0 46 . -8.592 -1.578 5.609 1.00 98.75 46 A 1 ATOM 376 N N . SER A 0 47 . -13.343 0.700 4.260 1.00 98.68 47 A 1 ATOM 377 C CA . SER A 0 47 . -14.581 1.376 4.676 1.00 98.68 47 A 1 ATOM 378 C C . SER A 0 47 . -15.735 0.396 4.943 1.00 98.68 47 A 1 ATOM 379 C CB . SER A 0 47 . -14.969 2.392 3.599 1.00 98.68 47 A 1 ATOM 380 O O . SER A 0 47 . -16.505 0.580 5.887 1.00 98.68 47 A 1 ATOM 381 O OG . SER A 0 47 . -16.209 3.004 3.882 1.00 98.68 47 A 1 ATOM 382 N N . GLN A 0 48 . -15.844 -0.681 4.158 1.00 98.70 48 A 1 ATOM 383 C CA . GLN A 0 48 . -16.819 -1.747 4.408 1.00 98.70 48 A 1 ATOM 384 C C . GLN A 0 48 . -16.514 -2.527 5.693 1.00 98.70 48 A 1 ATOM 385 C CB . GLN A 0 48 . -16.841 -2.726 3.227 1.00 98.70 48 A 1 ATOM 386 O O . GLN A 0 48 . -17.442 -2.870 6.424 1.00 98.70 48 A 1 ATOM 387 C CG . GLN A 0 48 . -17.512 -2.152 1.974 1.00 98.70 48 A 1 ATOM 388 C CD . GLN A 0 48 . -17.388 -3.082 0.771 1.00 98.70 48 A 1 ATOM 389 N NE2 . GLN A 0 48 . -18.030 -2.755 -0.329 1.00 98.70 48 A 1 ATOM 390 O OE1 . GLN A 0 48 . -16.739 -4.119 0.782 1.00 98.70 48 A 1 ATOM 391 N N . LEU A 0 49 . -15.240 -2.835 5.959 1.00 98.77 49 A 1 ATOM 392 C CA . LEU A 0 49 . -14.820 -3.504 7.194 1.00 98.77 49 A 1 ATOM 393 C C . LEU A 0 49 . -15.053 -2.615 8.416 1.00 98.77 49 A 1 ATOM 394 C CB . LEU A 0 49 . -13.342 -3.919 7.102 1.00 98.77 49 A 1 ATOM 395 O O . LEU A 0 49 . -15.611 -3.097 9.393 1.00 98.77 49 A 1 ATOM 396 C CG . LEU A 0 49 . -13.066 -5.108 6.169 1.00 98.77 49 A 1 ATOM 397 C CD1 . LEU A 0 49 . -11.557 -5.325 6.060 1.00 98.77 49 A 1 ATOM 398 C CD2 . LEU A 0 49 . -13.702 -6.407 6.674 1.00 98.77 49 A 1 ATOM 399 N N . ASP A 0 50 . -14.710 -1.334 8.320 1.00 98.65 50 A 1 ATOM 400 C CA . ASP A 0 50 . -14.958 -0.323 9.348 1.00 98.65 50 A 1 ATOM 401 C C . ASP A 0 50 . -16.456 -0.226 9.673 1.00 98.65 50 A 1 ATOM 402 C CB . ASP A 0 50 . -14.389 1.004 8.830 1.00 98.65 50 A 1 ATOM 403 O O . ASP A 0 50 . -16.864 -0.399 10.815 1.00 98.65 50 A 1 ATOM 404 C CG . ASP A 0 50 . -14.406 2.096 9.892 1.00 98.65 50 A 1 ATOM 405 O OD1 . ASP A 0 50 . -13.756 1.871 10.932 1.00 98.65 50 A 1 ATOM 406 O OD2 . ASP A 0 50 . -15.015 3.150 9.601 1.00 98.65 50 A 1 ATOM 407 N N . SER A 0 51 . -17.312 -0.140 8.648 1.00 98.56 51 A 1 ATOM 408 C CA . SER A 0 51 . -18.772 -0.136 8.832 1.00 98.56 51 A 1 ATOM 409 C C . SER A 0 51 . -19.293 -1.409 9.514 1.00 98.56 51 A 1 ATOM 410 C CB . SER A 0 51 . -19.481 -0.000 7.483 1.00 98.56 51 A 1 ATOM 411 O O . SER A 0 51 . -20.210 -1.350 10.337 1.00 98.56 51 A 1 ATOM 412 O OG . SER A 0 51 . -19.125 1.193 6.818 1.00 98.56 51 A 1 ATOM 413 N N . LYS A 0 52 . -18.731 -2.578 9.174 1.00 98.67 52 A 1 ATOM 414 C CA . LYS A 0 52 . -19.087 -3.854 9.817 1.00 98.67 52 A 1 ATOM 415 C C . LYS A 0 52 . -18.631 -3.893 11.273 1.00 98.67 52 A 1 ATOM 416 C CB . LYS A 0 52 . -18.488 -5.040 9.052 1.00 98.67 52 A 1 ATOM 417 O O . LYS A 0 52 . -19.398 -4.361 12.110 1.00 98.67 52 A 1 ATOM 418 C CG . LYS A 0 52 . -19.250 -5.349 7.759 1.00 98.67 52 A 1 ATOM 419 C CD . LYS A 0 52 . -18.555 -6.501 7.028 1.00 98.67 52 A 1 ATOM 420 C CE . LYS A 0 52 . -19.295 -6.821 5.729 1.00 98.67 52 A 1 ATOM 421 N NZ . LYS A 0 52 . -18.691 -7.991 5.046 1.00 98.67 52 A 1 ATOM 422 N N . LEU A 0 53 . -17.428 -3.398 11.559 1.00 98.80 53 A 1 ATOM 423 C CA . LEU A 0 53 . -16.884 -3.297 12.909 1.00 98.80 53 A 1 ATOM 424 C C . LEU A 0 53 . -17.746 -2.367 13.766 1.00 98.80 53 A 1 ATOM 425 C CB . LEU A 0 53 . -15.417 -2.842 12.826 1.00 98.80 53 A 1 ATOM 426 O O . LEU A 0 53 . -18.263 -2.811 14.784 1.00 98.80 53 A 1 ATOM 427 C CG . LEU A 0 53 . -14.733 -2.678 14.196 1.00 98.80 53 A 1 ATOM 428 C CD1 . LEU A 0 53 . -14.695 -3.994 14.978 1.00 98.80 53 A 1 ATOM 429 C CD2 . LEU A 0 53 . -13.298 -2.199 13.983 1.00 98.80 53 A 1 ATOM 430 N N . THR A 0 54 . -18.035 -1.153 13.291 1.00 98.67 54 A 1 ATOM 431 C CA . THR A 0 54 . -18.914 -0.200 13.985 1.00 98.67 54 A 1 ATOM 432 C C . THR A 0 54 . -20.306 -0.776 14.257 1.00 98.67 54 A 1 ATOM 433 C CB . THR A 0 54 . -19.069 1.075 13.146 1.00 98.67 54 A 1 ATOM 434 O O . THR A 0 54 . -20.888 -0.534 15.313 1.00 98.67 54 A 1 ATOM 435 C CG2 . THR A 0 54 . -19.952 2.134 13.806 1.00 98.67 54 A 1 ATOM 436 O OG1 . THR A 0 54 . -17.835 1.691 12.906 1.00 98.67 54 A 1 ATOM 437 N N . ASN A 0 55 . -20.884 -1.538 13.322 1.00 98.70 55 A 1 ATOM 438 C CA . ASN A 0 55 . -22.171 -2.198 13.564 1.00 98.70 55 A 1 ATOM 439 C C . ASN A 0 55 . -22.072 -3.310 14.613 1.00 98.70 55 A 1 ATOM 440 C CB . ASN A 0 55 . -22.746 -2.748 12.247 1.00 98.70 55 A 1 ATOM 441 O O . ASN A 0 55 . -23.001 -3.467 15.404 1.00 98.70 55 A 1 ATOM 442 C CG . ASN A 0 55 . -23.716 -1.804 11.562 1.00 98.70 55 A 1 ATOM 443 N ND2 . ASN A 0 55 . -24.281 -2.233 10.457 1.00 98.70 55 A 1 ATOM 444 O OD1 . ASN A 0 55 . -24.025 -0.705 11.999 1.00 98.70 55 A 1 ATOM 445 N N . ALA A 0 56 . -20.980 -4.076 14.619 1.00 98.71 56 A 1 ATOM 446 C CA . ALA A 0 56 . -20.746 -5.104 15.625 1.00 98.71 56 A 1 ATOM 447 C C . ALA A 0 56 . -20.566 -4.485 17.021 1.00 98.71 56 A 1 ATOM 448 C CB . ALA A 0 56 . -19.545 -5.957 15.201 1.00 98.71 56 A 1 ATOM 449 O O . ALA A 0 56 . -21.219 -4.937 17.956 1.00 98.71 56 A 1 ATOM 450 N N . GLU A 0 57 . -19.774 -3.416 17.141 1.00 98.69 57 A 1 ATOM 451 C CA . GLU A 0 57 . -19.585 -2.649 18.382 1.00 98.69 57 A 1 ATOM 452 C C . GLU A 0 57 . -20.926 -2.138 18.925 1.00 98.69 57 A 1 ATOM 453 C CB . GLU A 0 57 . -18.628 -1.474 18.118 1.00 98.69 57 A 1 ATOM 454 O O . GLU A 0 57 . -21.304 -2.465 20.046 1.00 98.69 57 A 1 ATOM 455 C CG . GLU A 0 57 . -17.180 -1.938 17.877 1.00 98.69 57 A 1 ATOM 456 C CD . GLU A 0 57 . -16.255 -0.817 17.371 1.00 98.69 57 A 1 ATOM 457 O OE1 . GLU A 0 57 . -15.026 -0.974 17.547 1.00 98.69 57 A 1 ATOM 458 O OE2 . GLU A 0 57 . -16.763 0.146 16.745 1.00 98.69 57 A 1 ATOM 459 N N . LYS A 0 58 . -21.730 -1.467 18.088 1.00 98.59 58 A 1 ATOM 460 C CA . LYS A 0 58 . -23.076 -1.005 18.476 1.00 98.59 58 A 1 ATOM 461 C C . LYS A 0 58 . -23.993 -2.141 18.922 1.00 98.59 58 A 1 ATOM 462 C CB . LYS A 0 58 . -23.740 -0.284 17.300 1.00 98.59 58 A 1 ATOM 463 O O . LYS A 0 58 . -24.832 -1.949 19.799 1.00 98.59 58 A 1 ATOM 464 C CG . LYS A 0 58 . -23.143 1.103 17.066 1.00 98.59 58 A 1 ATOM 465 C CD . LYS A 0 58 . -23.726 1.691 15.780 1.00 98.59 58 A 1 ATOM 466 C CE . LYS A 0 58 . -23.088 3.055 15.530 1.00 98.59 58 A 1 ATOM 467 N NZ . LYS A 0 58 . -23.495 3.596 14.214 1.00 98.59 58 A 1 ATOM 468 N N . HIS A 0 59 . -23.900 -3.308 18.286 1.00 98.53 59 A 1 ATOM 469 C CA . HIS A 0 59 . -24.715 -4.456 18.668 1.00 98.53 59 A 1 ATOM 470 C C . HIS A 0 59 . -24.313 -4.988 20.047 1.00 98.53 59 A 1 ATOM 471 C CB . HIS A 0 59 . -24.624 -5.543 17.594 1.00 98.53 59 A 1 ATOM 472 O O . HIS A 0 59 . -25.193 -5.297 20.849 1.00 98.53 59 A 1 ATOM 473 C CG . HIS A 0 59 . -25.662 -6.617 17.784 1.00 98.53 59 A 1 ATOM 474 C CD2 . HIS A 0 59 . -25.484 -7.847 18.358 1.00 98.53 59 A 1 ATOM 475 N ND1 . HIS A 0 59 . -26.987 -6.522 17.431 1.00 98.53 59 A 1 ATOM 476 C CE1 . HIS A 0 59 . -27.593 -7.669 17.774 1.00 98.53 59 A 1 ATOM 477 N NE2 . HIS A 0 59 . -26.715 -8.515 18.330 1.00 98.53 59 A 1 ATOM 478 N N . VAL A 0 60 . -23.010 -5.044 20.336 1.00 98.64 60 A 1 ATOM 479 C CA . VAL A 0 60 . -22.489 -5.396 21.663 1.00 98.64 60 A 1 ATOM 480 C C . VAL A 0 60 . -22.966 -4.385 22.706 1.00 98.64 60 A 1 ATOM 481 C CB . VAL A 0 60 . -20.955 -5.539 21.642 1.00 98.64 60 A 1 ATOM 482 O O . VAL A 0 60 . -23.588 -4.807 23.677 1.00 98.64 60 A 1 ATOM 483 C CG1 . VAL A 0 60 . -20.369 -5.727 23.045 1.00 98.64 60 A 1 ATOM 484 C CG2 . VAL A 0 60 . -20.552 -6.766 20.808 1.00 98.64 60 A 1 ATOM 485 N N . ASP A 0 61 . -22.820 -3.079 22.464 1.00 98.46 61 A 1 ATOM 486 C CA . ASP A 0 61 . -23.286 -2.027 23.385 1.00 98.46 61 A 1 ATOM 487 C C . ASP A 0 61 . -24.787 -2.158 23.711 1.00 98.46 61 A 1 ATOM 488 C CB . ASP A 0 61 . -23.070 -0.638 22.757 1.00 98.46 61 A 1 ATOM 489 O O . ASP A 0 61 . -25.219 -2.024 24.860 1.00 98.46 61 A 1 ATOM 490 C CG . ASP A 0 61 . -21.615 -0.198 22.587 1.00 98.46 61 A 1 ATOM 491 O OD1 . ASP A 0 61 . -20.744 -0.717 23.313 1.00 98.46 61 A 1 ATOM 492 O OD2 . ASP A 0 61 . -21.418 0.715 21.751 1.00 98.46 61 A 1 ATOM 493 N N . LEU A 0 62 . -25.617 -2.447 22.698 1.00 98.51 62 A 1 ATOM 494 C CA . LEU A 0 62 . -27.056 -2.658 22.878 1.00 98.51 62 A 1 ATOM 495 C C . LEU A 0 62 . -27.360 -3.908 23.713 1.00 98.51 62 A 1 ATOM 496 C CB . LEU A 0 62 . -27.745 -2.764 21.506 1.00 98.51 62 A 1 ATOM 497 O O . LEU A 0 62 . -28.274 -3.876 24.544 1.00 98.51 62 A 1 ATOM 498 C CG . LEU A 0 62 . -27.897 -1.435 20.747 1.00 98.51 62 A 1 ATOM 499 C CD1 . LEU A 0 62 . -28.434 -1.729 19.344 1.00 98.51 62 A 1 ATOM 500 C CD2 . LEU A 0 62 . -28.875 -0.480 21.437 1.00 98.51 62 A 1 ATOM 501 N N . LEU A 0 63 . -26.623 -5.001 23.497 1.00 98.42 63 A 1 ATOM 502 C CA . LEU A 0 63 . -26.757 -6.225 24.287 1.00 98.42 63 A 1 ATOM 503 C C . LEU A 0 63 . -26.321 -5.996 25.739 1.00 98.42 63 A 1 ATOM 504 C CB . LEU A 0 63 . -25.949 -7.367 23.643 1.00 98.42 63 A 1 ATOM 505 O O . LEU A 0 63 . -27.051 -6.385 26.652 1.00 98.42 63 A 1 ATOM 506 C CG . LEU A 0 63 . -26.544 -7.943 22.344 1.00 98.42 63 A 1 ATOM 507 C CD1 . LEU A 0 63 . -25.564 -8.963 21.762 1.00 98.42 63 A 1 ATOM 508 C CD2 . LEU A 0 63 . -27.883 -8.648 22.579 1.00 98.42 63 A 1 ATOM 509 N N . GLU A 0 64 . -25.200 -5.311 25.968 1.00 98.07 64 A 1 ATOM 510 C CA . GLU A 0 64 . -24.724 -4.942 27.305 1.00 98.07 64 A 1 ATOM 511 C C . GLU A 0 64 . -25.751 -4.072 28.044 1.00 98.07 64 A 1 ATOM 512 C CB . GLU A 0 64 . -23.379 -4.209 27.206 1.00 98.07 64 A 1 ATOM 513 O O . GLU A 0 64 . -26.127 -4.372 29.182 1.00 98.07 64 A 1 ATOM 514 C CG . GLU A 0 64 . -22.229 -5.150 26.810 1.00 98.07 64 A 1 ATOM 515 C CD . GLU A 0 64 . -20.857 -4.457 26.802 1.00 98.07 64 A 1 ATOM 516 O OE1 . GLU A 0 64 . -19.858 -5.197 26.646 1.00 98.07 64 A 1 ATOM 517 O OE2 . GLU A 0 64 . -20.811 -3.226 27.023 1.00 98.07 64 A 1 ATOM 518 N N . ALA A 0 65 . -26.308 -3.056 27.375 1.00 98.07 65 A 1 ATOM 519 C CA . ALA A 0 65 . -27.363 -2.210 27.931 1.00 98.07 65 A 1 ATOM 520 C C . ALA A 0 65 . -28.642 -3.000 28.269 1.00 98.07 65 A 1 ATOM 521 C CB . ALA A 0 65 . -27.656 -1.083 26.935 1.00 98.07 65 A 1 ATOM 522 O O . ALA A 0 65 . -29.298 -2.728 29.282 1.00 98.07 65 A 1 ATOM 523 N N . HIS A 0 66 . -29.006 -3.993 27.449 1.00 97.65 66 A 1 ATOM 524 C CA . HIS A 0 66 . -30.137 -4.879 27.722 1.00 97.65 66 A 1 ATOM 525 C C . HIS A 0 66 . -29.871 -5.732 28.971 1.00 97.65 66 A 1 ATOM 526 C CB . HIS A 0 66 . -30.431 -5.743 26.484 1.00 97.65 66 A 1 ATOM 527 O O . HIS A 0 66 . -30.707 -5.771 29.877 1.00 97.65 66 A 1 ATOM 528 C CG . HIS A 0 66 . -31.777 -6.430 26.493 1.00 97.65 66 A 1 ATOM 529 C CD2 . HIS A 0 66 . -32.385 -7.083 27.531 1.00 97.65 66 A 1 ATOM 530 N ND1 . HIS A 0 66 . -32.617 -6.552 25.410 1.00 97.65 66 A 1 ATOM 531 C CE1 . HIS A 0 66 . -33.702 -7.246 25.792 1.00 97.65 66 A 1 ATOM 532 N NE2 . HIS A 0 66 . -33.616 -7.570 27.087 1.00 97.65 66 A 1 ATOM 533 N N . VAL A 0 67 . -28.701 -6.370 29.060 1.00 97.25 67 A 1 ATOM 534 C CA . VAL A 0 67 . -28.306 -7.189 30.217 1.00 97.25 67 A 1 ATOM 535 C C . VAL A 0 67 . -28.295 -6.351 31.499 1.00 97.25 67 A 1 ATOM 536 C CB . VAL A 0 67 . -26.943 -7.865 29.961 1.00 97.25 67 A 1 ATOM 537 O O . VAL A 0 67 . -28.900 -6.752 32.494 1.00 97.25 67 A 1 ATOM 538 C CG1 . VAL A 0 67 . -26.395 -8.564 31.212 1.00 97.25 67 A 1 ATOM 539 C CG2 . VAL A 0 67 . -27.071 -8.934 28.866 1.00 97.25 67 A 1 ATOM 540 N N . HIS A 0 68 . -27.713 -5.149 31.473 1.00 96.55 68 A 1 ATOM 541 C CA . HIS A 0 68 . -27.734 -4.218 32.608 1.00 96.55 68 A 1 ATOM 542 C C . HIS A 0 68 . -29.164 -3.845 33.037 1.00 96.55 68 A 1 ATOM 543 C CB . HIS A 0 68 . -26.942 -2.954 32.239 1.00 96.55 68 A 1 ATOM 544 O O . HIS A 0 68 . -29.474 -3.797 34.234 1.00 96.55 68 A 1 ATOM 545 C CG . HIS A 0 68 . -25.440 -3.104 32.283 1.00 96.55 68 A 1 ATOM 546 C CD2 . HIS A 0 68 . -24.714 -4.261 32.397 1.00 96.55 68 A 1 ATOM 547 N ND1 . HIS A 0 68 . -24.533 -2.068 32.243 1.00 96.55 68 A 1 ATOM 548 C CE1 . HIS A 0 68 . -23.298 -2.588 32.332 1.00 96.55 68 A 1 ATOM 549 N NE2 . HIS A 0 68 . -23.363 -3.920 32.458 1.00 96.55 68 A 1 ATOM 550 N N . ARG A 0 69 . -30.074 -3.625 32.078 1.00 96.27 69 A 1 ATOM 551 C CA . ARG A 0 69 . -31.492 -3.362 32.369 1.00 96.27 69 A 1 ATOM 552 C C . ARG A 0 69 . -32.158 -4.551 33.068 1.00 96.27 69 A 1 ATOM 553 C CB . ARG A 0 69 . -32.221 -2.981 31.076 1.00 96.27 69 A 1 ATOM 554 O O . ARG A 0 69 . -32.836 -4.344 34.068 1.00 96.27 69 A 1 ATOM 555 C CG . ARG A 0 69 . -33.660 -2.517 31.353 1.00 96.27 69 A 1 ATOM 556 C CD . ARG A 0 69 . -34.439 -2.322 30.050 1.00 96.27 69 A 1 ATOM 557 N NE . ARG A 0 69 . -33.849 -1.267 29.205 1.00 96.27 69 A 1 ATOM 558 N NH1 . ARG A 0 69 . -35.240 -1.534 27.402 1.00 96.27 69 A 1 ATOM 559 N NH2 . ARG A 0 69 . -33.627 0.011 27.336 1.00 96.27 69 A 1 ATOM 560 C CZ . ARG A 0 69 . -34.241 -0.935 27.989 1.00 96.27 69 A 1 ATOM 561 N N . ILE A 0 70 . -31.944 -5.779 32.595 1.00 95.27 70 A 1 ATOM 562 C CA . ILE A 0 70 . -32.504 -6.985 33.230 1.00 95.27 70 A 1 ATOM 563 C C . ILE A 0 70 . -31.973 -7.143 34.660 1.00 95.27 70 A 1 ATOM 564 C CB . ILE A 0 70 . -32.216 -8.242 32.376 1.00 95.27 70 A 1 ATOM 565 O O . ILE A 0 70 . -32.756 -7.337 35.590 1.00 95.27 70 A 1 ATOM 566 C CG1 . ILE A 0 70 . -33.028 -8.185 31.064 1.00 95.27 70 A 1 ATOM 567 C CG2 . ILE A 0 70 . -32.559 -9.532 33.153 1.00 95.27 70 A 1 ATOM 568 C CD1 . ILE A 0 70 . -32.653 -9.290 30.065 1.00 95.27 70 A 1 ATOM 569 N N . LEU A 0 71 . -30.658 -7.018 34.858 1.00 94.71 71 A 1 ATOM 570 C CA . LEU A 0 71 . -30.032 -7.176 36.176 1.00 94.71 71 A 1 ATOM 571 C C . LEU A 0 71 . -30.508 -6.110 37.174 1.00 94.71 71 A 1 ATOM 572 C CB . LEU A 0 71 . -28.502 -7.127 36.015 1.00 94.71 71 A 1 ATOM 573 O O . LEU A 0 71 . -30.786 -6.418 38.335 1.00 94.71 71 A 1 ATOM 574 C CG . LEU A 0 71 . -27.892 -8.336 35.282 1.00 94.71 71 A 1 ATOM 575 C CD1 . LEU A 0 71 . -26.399 -8.090 35.069 1.00 94.71 71 A 1 ATOM 576 C CD2 . LEU A 0 71 . -28.060 -9.639 36.067 1.00 94.71 71 A 1 ATOM 577 N N . SER A 0 72 . -30.661 -4.860 36.727 1.00 93.00 72 A 1 ATOM 578 C CA . SER A 0 72 . -31.218 -3.798 37.572 1.00 93.00 72 A 1 ATOM 579 C C . SER A 0 72 . -32.687 -4.051 37.928 1.00 93.00 72 A 1 ATOM 580 C CB . SER A 0 72 . -31.017 -2.412 36.951 1.00 93.00 72 A 1 ATOM 581 O O . SER A 0 72 . -33.059 -3.858 39.083 1.00 93.00 72 A 1 ATOM 582 O OG . SER A 0 72 . -31.632 -2.314 35.689 1.00 93.00 72 A 1 ATOM 583 N N . GLN A 0 73 . -33.514 -4.556 37.006 1.00 91.45 73 A 1 ATOM 584 C CA . GLN A 0 73 . -34.907 -4.931 37.292 1.00 91.45 73 A 1 ATOM 585 C C . GLN A 0 73 . -35.014 -6.097 38.290 1.00 91.45 73 A 1 ATOM 586 C CB . GLN A 0 73 . -35.627 -5.272 35.978 1.00 91.45 73 A 1 ATOM 587 O O . GLN A 0 73 . -35.855 -6.050 39.188 1.00 91.45 73 A 1 ATOM 588 C CG . GLN A 0 73 . -35.923 -4.017 35.142 1.00 91.45 73 A 1 ATOM 589 C CD . GLN A 0 73 . -36.520 -4.335 33.774 1.00 91.45 73 A 1 ATOM 590 N NE2 . GLN A 0 73 . -36.988 -3.341 33.052 1.00 91.45 73 A 1 ATOM 591 O OE1 . GLN A 0 73 . -36.601 -5.462 33.318 1.00 91.45 73 A 1 ATOM 592 N N . GLN A 0 74 . -34.136 -7.102 38.198 1.00 85.78 74 A 1 ATOM 593 C CA . GLN A 0 74 . -34.096 -8.226 39.146 1.00 85.78 74 A 1 ATOM 594 C C . GLN A 0 74 . -33.733 -7.782 40.571 1.00 85.78 74 A 1 ATOM 595 C CB . GLN A 0 74 . -33.096 -9.283 38.657 1.00 85.78 74 A 1 ATOM 596 O O . GLN A 0 74 . -34.343 -8.245 41.535 1.00 85.78 74 A 1 ATOM 597 C CG . GLN A 0 74 . -33.630 -10.082 37.460 1.00 85.78 74 A 1 ATOM 598 C CD . GLN A 0 74 . -32.642 -11.136 36.971 1.00 85.78 74 A 1 ATOM 599 N NE2 . GLN A 0 74 . -33.033 -11.968 36.031 1.00 85.78 74 A 1 ATOM 600 O OE1 . GLN A 0 74 . -31.512 -11.247 37.413 1.00 85.78 74 A 1 ATOM 601 N N . ASN A 0 75 . -32.795 -6.841 40.722 1.00 79.50 75 A 1 ATOM 602 C CA . ASN A 0 75 . -32.415 -6.313 42.036 1.00 79.50 75 A 1 ATOM 603 C C . ASN A 0 75 . -33.558 -5.562 42.743 1.00 79.50 75 A 1 ATOM 604 C CB . ASN A 0 75 . -31.163 -5.431 41.884 1.00 79.50 75 A 1 ATOM 605 O O . ASN A 0 75 . -33.645 -5.623 43.967 1.00 79.50 75 A 1 ATOM 606 C CG . ASN A 0 75 . -29.875 -6.236 41.818 1.00 79.50 75 A 1 ATOM 607 N ND2 . ASN A 0 75 . -28.841 -5.694 41.221 1.00 79.50 75 A 1 ATOM 608 O OD1 . ASN A 0 75 . -29.758 -7.333 42.340 1.00 79.50 75 A 1 ATOM 609 N N . HIS A 0 76 . -34.464 -4.913 42.001 1.00 74.04 76 A 1 ATOM 610 C CA . HIS A 0 76 . -35.641 -4.253 42.584 1.00 74.04 76 A 1 ATOM 611 C C . HIS A 0 76 . -36.730 -5.243 43.032 1.00 74.04 76 A 1 ATOM 612 C CB . HIS A 0 76 . -36.221 -3.231 41.596 1.00 74.04 76 A 1 ATOM 613 O O . HIS A 0 76 . -37.554 -4.896 43.873 1.00 74.04 76 A 1 ATOM 614 C CG . HIS A 0 76 . -35.355 -2.012 41.408 1.00 74.04 76 A 1 ATOM 615 C CD2 . HIS A 0 76 . -35.487 -0.803 42.035 1.00 74.04 76 A 1 ATOM 616 N ND1 . HIS A 0 76 . -34.279 -1.904 40.563 1.00 74.04 76 A 1 ATOM 617 C CE1 . HIS A 0 76 . -33.770 -0.669 40.675 1.00 74.04 76 A 1 ATOM 618 N NE2 . HIS A 0 76 . -34.476 0.042 41.563 1.00 74.04 76 A 1 ATOM 619 N N . GLN A 0 77 . -36.739 -6.474 42.506 1.00 61.20 77 A 1 ATOM 620 C CA . GLN A 0 77 . -37.705 -7.506 42.900 1.00 61.20 77 A 1 ATOM 621 C C . GLN A 0 77 . -37.261 -8.345 44.101 1.00 61.20 77 A 1 ATOM 622 C CB . GLN A 0 77 . -38.055 -8.404 41.705 1.00 61.20 77 A 1 ATOM 623 O O . GLN A 0 77 . -38.044 -9.167 44.569 1.00 61.20 77 A 1 ATOM 624 C CG . GLN A 0 77 . -38.900 -7.663 40.662 1.00 61.20 77 A 1 ATOM 625 C CD . GLN A 0 77 . -39.480 -8.597 39.604 1.00 61.20 77 A 1 ATOM 626 N NE2 . GLN A 0 77 . -40.329 -8.098 38.733 1.00 61.20 77 A 1 ATOM 627 O OE1 . GLN A 0 77 . -39.202 -9.781 39.530 1.00 61.20 77 A 1 ATOM 628 N N . ARG A 0 78 . -36.045 -8.159 44.634 1.00 58.31 78 A 1 ATOM 629 C CA . ARG A 0 78 . -35.582 -8.899 45.816 1.00 58.31 78 A 1 ATOM 630 C C . ARG A 0 78 . -36.224 -8.299 47.077 1.00 58.31 78 A 1 ATOM 631 C CB . ARG A 0 78 . -34.043 -8.900 45.846 1.00 58.31 78 A 1 ATOM 632 O O . ARG A 0 78 . -35.807 -7.216 47.492 1.00 58.31 78 A 1 ATOM 633 C CG . ARG A 0 78 . -33.503 -10.056 46.701 1.00 58.31 78 A 1 ATOM 634 C CD . ARG A 0 78 . -31.972 -10.120 46.622 1.00 58.31 78 A 1 ATOM 635 N NE . ARG A 0 78 . -31.468 -11.466 46.962 1.00 58.31 78 A 1 ATOM 636 N NH1 . ARG A 0 78 . -29.231 -10.952 47.015 1.00 58.31 78 A 1 ATOM 637 N NH2 . ARG A 0 78 . -29.881 -13.069 47.288 1.00 58.31 78 A 1 ATOM 638 C CZ . ARG A 0 78 . -30.201 -11.820 47.088 1.00 58.31 78 A 1 ATOM 639 N N . PRO A 0 79 . -37.204 -8.958 47.730 1.00 54.76 79 A 1 ATOM 640 C CA . PRO A 0 79 . -37.752 -8.450 48.977 1.00 54.76 79 A 1 ATOM 641 C C . PRO A 0 79 . -36.637 -8.512 50.018 1.00 54.76 79 A 1 ATOM 642 C CB . PRO A 0 79 . -38.949 -9.344 49.343 1.00 54.76 79 A 1 ATOM 643 O O . PRO A 0 79 . -36.035 -9.565 50.239 1.00 54.76 79 A 1 ATOM 644 C CG . PRO A 0 79 . -39.167 -10.208 48.100 1.00 54.76 79 A 1 ATOM 645 C CD . PRO A 0 79 . -37.778 -10.268 47.475 1.00 54.76 79 A 1 ATOM 646 N N . THR A 0 80 . -36.335 -7.379 50.645 1.00 58.05 80 A 1 ATOM 647 C CA . THR A 0 80 . -35.495 -7.371 51.843 1.00 58.05 80 A 1 ATOM 648 C C . THR A 0 80 . -36.201 -8.223 52.896 1.00 58.05 80 A 1 ATOM 649 C CB . THR A 0 80 . -35.194 -5.945 52.347 1.00 58.05 80 A 1 ATOM 650 O O . THR A 0 80 . -37.269 -7.862 53.386 1.00 58.05 80 A 1 ATOM 651 C CG2 . THR A 0 80 . -34.366 -5.160 51.330 1.00 58.05 80 A 1 ATOM 652 O OG1 . THR A 0 80 . -36.349 -5.173 52.591 1.00 58.05 80 A 1 ATOM 653 N N . LEU A 0 81 . -35.646 -9.396 53.203 1.00 53.23 81 A 1 ATOM 654 C CA . LEU A 0 81 . -36.102 -10.226 54.311 1.00 53.23 81 A 1 ATOM 655 C C . LEU A 0 81 . -35.723 -9.484 55.604 1.00 53.23 81 A 1 ATOM 656 C CB . LEU A 0 81 . -35.489 -11.641 54.178 1.00 53.23 81 A 1 ATOM 657 O O . LEU A 0 81 . -34.663 -9.711 56.181 1.00 53.23 81 A 1 ATOM 658 C CG . LEU A 0 81 . -36.305 -12.733 54.898 1.00 53.23 81 A 1 ATOM 659 C CD1 . LEU A 0 81 . -37.455 -13.223 54.013 1.00 53.23 81 A 1 ATOM 660 C CD2 . LEU A 0 81 . -35.429 -13.940 55.232 1.00 53.23 81 A 1 ATOM 661 N N . LYS A 0 82 . -36.537 -8.504 56.010 1.00 56.88 82 A 1 ATOM 662 C CA . LYS A 0 82 . -36.436 -7.887 57.333 1.00 56.88 82 A 1 ATOM 663 C C . LYS A 0 82 . -36.898 -8.929 58.349 1.00 56.88 82 A 1 ATOM 664 C CB . LYS A 0 82 . -37.261 -6.589 57.421 1.00 56.88 82 A 1 ATOM 665 O O . LYS A 0 82 . -38.072 -9.287 58.375 1.00 56.88 82 A 1 ATOM 666 C CG . LYS A 0 82 . -36.596 -5.406 56.697 1.00 56.88 82 A 1 ATOM 667 C CD . LYS A 0 82 . -37.365 -4.103 56.969 1.00 56.88 82 A 1 ATOM 668 C CE . LYS A 0 82 . -36.678 -2.912 56.290 1.00 56.88 82 A 1 ATOM 669 N NZ . LYS A 0 82 . -37.364 -1.634 56.610 1.00 56.88 82 A 1 ATOM 670 N N . SER A 0 83 . -35.957 -9.431 59.146 1.00 54.04 83 A 1 ATOM 671 C CA . SER A 0 83 . -36.209 -10.301 60.296 1.00 54.04 83 A 1 ATOM 672 C C . SER A 0 83 . -37.319 -9.721 61.187 1.00 54.04 83 A 1 ATOM 673 C CB . SER A 0 83 . -34.936 -10.422 61.141 1.00 54.04 83 A 1 ATOM 674 O O . SER A 0 83 . -37.274 -8.521 61.475 1.00 54.04 83 A 1 ATOM 675 O OG . SER A 0 83 . -33.876 -10.940 60.363 1.00 54.04 83 A 1 ATOM 676 N N . PRO A 0 84 . -38.285 -10.521 61.672 1.00 56.89 84 A 1 ATOM 677 C CA . PRO A 0 84 . -39.254 -10.045 62.649 1.00 56.89 84 A 1 ATOM 678 C C . PRO A 0 84 . -38.531 -9.763 63.971 1.00 56.89 84 A 1 ATOM 679 C CB . PRO A 0 84 . -40.325 -11.143 62.777 1.00 56.89 84 A 1 ATOM 680 O O . PRO A 0 84 . -38.114 -10.685 64.671 1.00 56.89 84 A 1 ATOM 681 C CG . PRO A 0 84 . -40.039 -12.103 61.622 1.00 56.89 84 A 1 ATOM 682 C CD . PRO A 0 84 . -38.555 -11.906 61.330 1.00 56.89 84 A 1 ATOM 683 N N . GLN A 0 85 . -38.366 -8.488 64.325 1.00 56.35 85 A 1 ATOM 684 C CA . GLN A 0 85 . -38.085 -8.111 65.706 1.00 56.35 85 A 1 ATOM 685 C C . GLN A 0 85 . -39.368 -8.331 66.514 1.00 56.35 85 A 1 ATOM 686 C CB . GLN A 0 85 . -37.590 -6.657 65.804 1.00 56.35 85 A 1 ATOM 687 O O . GLN A 0 85 . -40.266 -7.495 66.507 1.00 56.35 85 A 1 ATOM 688 C CG . GLN A 0 85 . -36.142 -6.490 65.318 1.00 56.35 85 A 1 ATOM 689 C CD . GLN A 0 85 . -35.537 -5.147 65.727 1.00 56.35 85 A 1 ATOM 690 N NE2 . GLN A 0 85 . -34.230 -5.051 65.842 1.00 56.35 85 A 1 ATOM 691 O OE1 . GLN A 0 85 . -36.209 -4.157 65.949 1.00 56.35 85 A 1 ATOM 692 N N . HIS A 0 86 . -39.473 -9.477 67.187 1.00 57.03 86 A 1 ATOM 693 C CA . HIS A 0 86 . -40.491 -9.695 68.210 1.00 57.03 86 A 1 ATOM 694 C C . HIS A 0 86 . -40.006 -9.035 69.508 1.00 57.03 86 A 1 ATOM 695 C CB . HIS A 0 86 . -40.822 -11.196 68.346 1.00 57.03 86 A 1 ATOM 696 O O . HIS A 0 86 . -39.302 -9.639 70.313 1.00 57.03 86 A 1 ATOM 697 C CG . HIS A 0 86 . -42.290 -11.491 68.162 1.00 57.03 86 A 1 ATOM 698 C CD2 . HIS A 0 86 . -42.853 -12.183 67.123 1.00 57.03 86 A 1 ATOM 699 N ND1 . HIS A 0 86 . -43.319 -11.108 68.995 1.00 57.03 86 A 1 ATOM 700 C CE1 . HIS A 0 86 . -44.470 -11.561 68.469 1.00 57.03 86 A 1 ATOM 701 N NE2 . HIS A 0 86 . -44.234 -12.221 67.325 1.00 57.03 86 A 1 ATOM 702 N N . SER A 0 87 . -40.353 -7.764 69.699 1.00 57.65 87 A 1 ATOM 703 C CA . SER A 0 87 . -40.321 -7.122 71.012 1.00 57.65 87 A 1 ATOM 704 C C . SER A 0 87 . -41.544 -7.592 71.803 1.00 57.65 87 A 1 ATOM 705 C CB . SER A 0 87 . -40.294 -5.595 70.855 1.00 57.65 87 A 1 ATOM 706 O O . SER A 0 87 . -42.655 -7.117 71.573 1.00 57.65 87 A 1 ATOM 707 O OG . SER A 0 87 . -41.360 -5.163 70.034 1.00 57.65 87 A 1 ATOM 708 N N . LEU A 0 88 . -41.359 -8.559 72.701 1.00 66.65 88 A 1 ATOM 709 C CA . LEU A 0 88 . -42.311 -8.842 73.775 1.00 66.65 88 A 1 ATOM 710 C C . LEU A 0 88 . -42.081 -7.805 74.879 1.00 66.65 88 A 1 ATOM 711 C CB . LEU A 0 88 . -42.107 -10.286 74.277 1.00 66.65 88 A 1 ATOM 712 O O . LEU A 0 88 . -41.051 -7.827 75.549 1.00 66.65 88 A 1 ATOM 713 C CG . LEU A 0 88 . -42.862 -11.328 73.427 1.00 66.65 88 A 1 ATOM 714 C CD1 . LEU A 0 88 . -42.035 -12.600 73.245 1.00 66.65 88 A 1 ATOM 715 C CD2 . LEU A 0 88 . -44.193 -11.706 74.082 1.00 66.65 88 A 1 ATOM 716 N N . THR A 0 89 . -43.016 -6.872 75.037 1.00 67.62 89 A 1 ATOM 717 C CA . THR A 0 89 . -43.123 -6.057 76.251 1.00 67.62 89 A 1 ATOM 718 C C . THR A 0 89 . -43.716 -6.916 77.375 1.00 67.62 89 A 1 ATOM 719 C CB . THR A 0 89 . -44.008 -4.824 76.026 1.00 67.62 89 A 1 ATOM 720 O O . THR A 0 89 . -44.674 -7.646 77.105 1.00 67.62 89 A 1 ATOM 721 C CG2 . THR A 0 89 . -43.316 -3.803 75.121 1.00 67.62 89 A 1 ATOM 722 O OG1 . THR A 0 89 . -45.211 -5.198 75.394 1.00 67.62 89 A 1 ATOM 723 N N . PRO A 0 90 . -43.199 -6.854 78.614 1.00 64.00 90 A 1 ATOM 724 C CA . PRO A 0 90 . -43.780 -7.566 79.749 1.00 64.00 90 A 1 ATOM 725 C C . PRO A 0 90 . -45.041 -6.837 80.239 1.00 64.00 90 A 1 ATOM 726 C CB . PRO A 0 90 . -42.692 -7.601 80.836 1.00 64.00 90 A 1 ATOM 727 O O . PRO A 0 90 . -44.996 -5.627 80.445 1.00 64.00 90 A 1 ATOM 728 C CG . PRO A 0 90 . -41.478 -6.899 80.224 1.00 64.00 90 A 1 ATOM 729 C CD . PRO A 0 90 . -42.041 -6.099 79.058 1.00 64.00 90 A 1 ATOM 730 N N . ASN A 0 91 . -46.138 -7.571 80.432 1.00 63.88 91 A 1 ATOM 731 C CA . ASN A 0 91 . -47.262 -7.145 81.266 1.00 63.88 91 A 1 ATOM 732 C C . ASN A 0 91 . -47.138 -7.886 82.600 1.00 63.88 91 A 1 ATOM 733 C CB . ASN A 0 91 . -48.608 -7.480 80.587 1.00 63.88 91 A 1 ATOM 734 O O . ASN A 0 91 . -47.355 -9.096 82.618 1.00 63.88 91 A 1 ATOM 735 C CG . ASN A 0 91 . -49.188 -6.389 79.708 1.00 63.88 91 A 1 ATOM 736 N ND2 . ASN A 0 91 . -50.262 -6.691 79.014 1.00 63.88 91 A 1 ATOM 737 O OD1 . ASN A 0 91 . -48.736 -5.261 79.623 1.00 63.88 91 A 1 ATOM 738 N N . ASP A 0 92 . -46.688 -7.172 83.631 1.00 55.62 92 A 1 ATOM 739 C CA . ASP A 0 92 . -47.129 -7.192 85.043 1.00 55.62 92 A 1 ATOM 740 C C . ASP A 0 92 . -46.114 -6.439 85.922 1.00 55.62 92 A 1 ATOM 741 C CB . ASP A 0 92 . -47.442 -8.604 85.597 1.00 55.62 92 A 1 ATOM 742 O O . ASP A 0 92 . -44.888 -6.631 85.731 1.00 55.62 92 A 1 ATOM 743 C CG . ASP A 0 92 . -48.868 -9.123 85.280 1.00 55.62 92 A 1 ATOM 744 O OD1 . ASP A 0 92 . -49.778 -8.306 84.984 1.00 55.62 92 A 1 ATOM 745 O OD2 . ASP A 0 92 . -49.077 -10.356 85.398 1.00 55.62 92 A 1 ATOM 746 O OXT . ASP A 0 92 . -46.586 -5.600 86.719 1.00 55.62 92 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 89.82 # loop_ _atom_type.symbol C N O S #