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 ASN 0 4 LYS 0 5 LYS 0 6 PHE 0 7 ILE 0 8 PHE 0 9 ILE 0 10 PHE 0 11 ILE 0 12 SER 0 13 LEU 0 14 PHE 0 15 LEU 0 16 LEU 0 17 ASN 0 18 GLU 0 19 ILE 0 20 SER 0 21 TYR 0 22 GLY 0 23 TYR 0 24 ILE 0 25 LEU 0 26 VAL 0 27 CYS 0 28 ARG 0 29 LYS 0 30 MET 0 31 LYS 0 32 LYS 0 33 ASP 0 34 SER 0 35 LYS 0 36 ARG 0 37 SER 0 38 TYR 0 39 HIS 0 40 GLY 0 41 TYR 0 42 GLY 0 43 GLY 0 44 TYR 0 45 CYS 0 46 PRO 0 47 ASP 0 48 CYS 0 49 PRO 0 50 LEU 0 51 ILE 0 52 CYS 0 53 ARG 0 54 VAL 0 55 PHE 0 56 THR 0 57 ASN 0 58 ASP 0 59 MET 0 60 LYS 0 61 ARG 0 62 PRO 0 63 GLU 0 64 SER 0 65 PHE 0 66 GLN 0 67 PRO 0 68 ARG 0 69 LYS 0 70 LEU 0 71 ARG 0 72 PRO 0 73 LYS 0 74 HIS 0 75 ALA 0 76 ASP 0 77 GLU 0 78 ILE 0 79 LEU 0 80 LYS 0 81 GLU 0 82 LYS 0 83 LEU 0 84 HIS 0 85 ARG 0 86 SER 0 87 SER 0 88 ALA 0 89 PRO 0 90 ARG 0 91 GLY 0 92 ILE 0 93 TYR 0 94 ASP 0 95 ASN 0 96 PRO 0 97 TYR 0 98 ASN 0 99 PRO 0 100 GLY 0 101 LEU 0 102 TRP 0 103 ARG 0 104 ARG 0 105 SER 0 106 THR 0 107 VAL 0 108 ILE 0 109 THR 0 110 ALA 0 111 PRO 0 112 TYR 0 113 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 . -32.354 -2.012 33.715 1.00 56.60 1 A 1 ATOM 2 C CA . MET A 0 1 . -31.056 -1.307 33.814 1.00 56.60 1 A 1 ATOM 3 C C . MET A 0 1 . -30.300 -1.513 32.510 1.00 56.60 1 A 1 ATOM 4 C CB . MET A 0 1 . -30.225 -1.831 35.002 1.00 56.60 1 A 1 ATOM 5 O O . MET A 0 1 . -29.840 -2.624 32.273 1.00 56.60 1 A 1 ATOM 6 C CG . MET A 0 1 . -30.836 -1.466 36.359 1.00 56.60 1 A 1 ATOM 7 S SD . MET A 0 1 . -29.948 -2.174 37.768 1.00 56.60 1 A 1 ATOM 8 C CE . MET A 0 1 . -28.550 -1.031 37.937 1.00 56.60 1 A 1 ATOM 9 N N . LEU A 0 2 . -30.235 -0.503 31.631 1.00 59.04 2 A 1 ATOM 10 C CA . LEU A 0 2 . -29.404 -0.596 30.425 1.00 59.04 2 A 1 ATOM 11 C C . LEU A 0 2 . -27.954 -0.833 30.865 1.00 59.04 2 A 1 ATOM 12 C CB . LEU A 0 2 . -29.523 0.662 29.533 1.00 59.04 2 A 1 ATOM 13 O O . LEU A 0 2 . -27.385 -0.056 31.632 1.00 59.04 2 A 1 ATOM 14 C CG . LEU A 0 2 . -30.184 0.386 28.165 1.00 59.04 2 A 1 ATOM 15 C CD1 . LEU A 0 2 . -31.706 0.497 28.251 1.00 59.04 2 A 1 ATOM 16 C CD2 . LEU A 0 2 . -29.684 1.375 27.116 1.00 59.04 2 A 1 ATOM 17 N N . ASN A 0 3 . -27.400 -1.965 30.443 1.00 74.79 3 A 1 ATOM 18 C CA . ASN A 0 3 . -26.095 -2.445 30.873 1.00 74.79 3 A 1 ATOM 19 C C . ASN A 0 3 . -25.030 -1.403 30.491 1.00 74.79 3 A 1 ATOM 20 C CB . ASN A 0 3 . -25.870 -3.831 30.215 1.00 74.79 3 A 1 ATOM 21 O O . ASN A 0 3 . -24.935 -1.054 29.315 1.00 74.79 3 A 1 ATOM 22 C CG . ASN A 0 3 . -25.520 -4.920 31.206 1.00 74.79 3 A 1 ATOM 23 N ND2 . ASN A 0 3 . -25.905 -6.148 30.944 1.00 74.79 3 A 1 ATOM 24 O OD1 . ASN A 0 3 . -24.876 -4.677 32.210 1.00 74.79 3 A 1 ATOM 25 N N . LYS A 0 4 . -24.210 -0.927 31.443 1.00 77.74 4 A 1 ATOM 26 C CA . LYS A 0 4 . -23.144 0.076 31.192 1.00 77.74 4 A 1 ATOM 27 C C . LYS A 0 4 . -22.257 -0.281 29.984 1.00 77.74 4 A 1 ATOM 28 C CB . LYS A 0 4 . -22.266 0.253 32.449 1.00 77.74 4 A 1 ATOM 29 O O . LYS A 0 4 . -21.757 0.603 29.297 1.00 77.74 4 A 1 ATOM 30 C CG . LYS A 0 4 . -22.978 0.949 33.624 1.00 77.74 4 A 1 ATOM 31 C CD . LYS A 0 4 . -22.018 1.148 34.813 1.00 77.74 4 A 1 ATOM 32 C CE . LYS A 0 4 . -22.694 1.915 35.960 1.00 77.74 4 A 1 ATOM 33 N NZ . LYS A 0 4 . -21.789 2.091 37.129 1.00 77.74 4 A 1 ATOM 34 N N . LYS A 0 5 . -22.127 -1.579 29.686 1.00 80.13 5 A 1 ATOM 35 C CA . LYS A 0 5 . -21.428 -2.115 28.510 1.00 80.13 5 A 1 ATOM 36 C C . LYS A 0 5 . -22.031 -1.661 27.172 1.00 80.13 5 A 1 ATOM 37 C CB . LYS A 0 5 . -21.386 -3.652 28.589 1.00 80.13 5 A 1 ATOM 38 O O . LYS A 0 5 . -21.275 -1.326 26.270 1.00 80.13 5 A 1 ATOM 39 C CG . LYS A 0 5 . -20.582 -4.160 29.800 1.00 80.13 5 A 1 ATOM 40 C CD . LYS A 0 5 . -20.443 -5.690 29.778 1.00 80.13 5 A 1 ATOM 41 C CE . LYS A 0 5 . -19.592 -6.173 30.961 1.00 80.13 5 A 1 ATOM 42 N NZ . LYS A 0 5 . -19.394 -7.647 30.943 1.00 80.13 5 A 1 ATOM 43 N N . PHE A 0 6 . -23.359 -1.600 27.041 1.00 83.35 6 A 1 ATOM 44 C CA . PHE A 0 6 . -24.001 -1.139 25.804 1.00 83.35 6 A 1 ATOM 45 C C . PHE A 0 6 . -23.737 0.343 25.552 1.00 83.35 6 A 1 ATOM 46 C CB . PHE A 0 6 . -25.510 -1.413 25.832 1.00 83.35 6 A 1 ATOM 47 O O . PHE A 0 6 . -23.414 0.716 24.431 1.00 83.35 6 A 1 ATOM 48 C CG . PHE A 0 6 . -25.863 -2.868 25.612 1.00 83.35 6 A 1 ATOM 49 C CD1 . PHE A 0 6 . -25.707 -3.437 24.334 1.00 83.35 6 A 1 ATOM 50 C CD2 . PHE A 0 6 . -26.356 -3.650 26.670 1.00 83.35 6 A 1 ATOM 51 C CE1 . PHE A 0 6 . -26.033 -4.787 24.121 1.00 83.35 6 A 1 ATOM 52 C CE2 . PHE A 0 6 . -26.679 -5.003 26.458 1.00 83.35 6 A 1 ATOM 53 C CZ . PHE A 0 6 . -26.516 -5.571 25.182 1.00 83.35 6 A 1 ATOM 54 N N . ILE A 0 7 . -23.802 1.172 26.599 1.00 82.48 7 A 1 ATOM 55 C CA . ILE A 0 7 . -23.519 2.611 26.496 1.00 82.48 7 A 1 ATOM 56 C C . ILE A 0 7 . -22.097 2.833 25.966 1.00 82.48 7 A 1 ATOM 57 C CB . ILE A 0 7 . -23.747 3.309 27.857 1.00 82.48 7 A 1 ATOM 58 O O . ILE A 0 7 . -21.904 3.617 25.042 1.00 82.48 7 A 1 ATOM 59 C CG1 . ILE A 0 7 . -25.222 3.154 28.300 1.00 82.48 7 A 1 ATOM 60 C CG2 . ILE A 0 7 . -23.356 4.796 27.780 1.00 82.48 7 A 1 ATOM 61 C CD1 . ILE A 0 7 . -25.513 3.672 29.713 1.00 82.48 7 A 1 ATOM 62 N N . PHE A 0 8 . -21.115 2.092 26.488 1.00 81.24 8 A 1 ATOM 63 C CA . PHE A 0 8 . -19.731 2.194 26.023 1.00 81.24 8 A 1 ATOM 64 C C . PHE A 0 8 . -19.581 1.821 24.539 1.00 81.24 8 A 1 ATOM 65 C CB . PHE A 0 8 . -18.840 1.327 26.918 1.00 81.24 8 A 1 ATOM 66 O O . PHE A 0 8 . -18.941 2.551 23.789 1.00 81.24 8 A 1 ATOM 67 C CG . PHE A 0 8 . -17.365 1.611 26.729 1.00 81.24 8 A 1 ATOM 68 C CD1 . PHE A 0 8 . -16.591 0.820 25.859 1.00 81.24 8 A 1 ATOM 69 C CD2 . PHE A 0 8 . -16.773 2.698 27.399 1.00 81.24 8 A 1 ATOM 70 C CE1 . PHE A 0 8 . -15.228 1.110 25.671 1.00 81.24 8 A 1 ATOM 71 C CE2 . PHE A 0 8 . -15.410 2.987 27.211 1.00 81.24 8 A 1 ATOM 72 C CZ . PHE A 0 8 . -14.637 2.190 26.349 1.00 81.24 8 A 1 ATOM 73 N N . ILE A 0 9 . -20.233 0.741 24.094 1.00 84.54 9 A 1 ATOM 74 C CA . ILE A 0 9 . -20.206 0.303 22.688 1.00 84.54 9 A 1 ATOM 75 C C . ILE A 0 9 . -20.804 1.369 21.761 1.00 84.54 9 A 1 ATOM 76 C CB . ILE A 0 9 . -20.929 -1.057 22.540 1.00 84.54 9 A 1 ATOM 77 O O . ILE A 0 9 . -20.215 1.679 20.725 1.00 84.54 9 A 1 ATOM 78 C CG1 . ILE A 0 9 . -20.125 -2.171 23.248 1.00 84.54 9 A 1 ATOM 79 C CG2 . ILE A 0 9 . -21.144 -1.427 21.060 1.00 84.54 9 A 1 ATOM 80 C CD1 . ILE A 0 9 . -20.930 -3.458 23.476 1.00 84.54 9 A 1 ATOM 81 N N . PHE A 0 10 . -21.940 1.964 22.136 1.00 82.76 10 A 1 ATOM 82 C CA . PHE A 0 10 . -22.562 3.028 21.346 1.00 82.76 10 A 1 ATOM 83 C C . PHE A 0 10 . -21.673 4.268 21.246 1.00 82.76 10 A 1 ATOM 84 C CB . PHE A 0 10 . -23.941 3.383 21.915 1.00 82.76 10 A 1 ATOM 85 O O . PHE A 0 10 . -21.552 4.827 20.160 1.00 82.76 10 A 1 ATOM 86 C CG . PHE A 0 10 . -25.049 2.497 21.382 1.00 82.76 10 A 1 ATOM 87 C CD1 . PHE A 0 10 . -25.491 2.663 20.057 1.00 82.76 10 A 1 ATOM 88 C CD2 . PHE A 0 10 . -25.643 1.514 22.194 1.00 82.76 10 A 1 ATOM 89 C CE1 . PHE A 0 10 . -26.511 1.842 19.545 1.00 82.76 10 A 1 ATOM 90 C CE2 . PHE A 0 10 . -26.653 0.683 21.680 1.00 82.76 10 A 1 ATOM 91 C CZ . PHE A 0 10 . -27.087 0.848 20.354 1.00 82.76 10 A 1 ATOM 92 N N . ILE A 0 11 . -21.006 4.661 22.336 1.00 81.40 11 A 1 ATOM 93 C CA . ILE A 0 11 . -20.056 5.782 22.324 1.00 81.40 11 A 1 ATOM 94 C C . ILE A 0 11 . -18.869 5.470 21.404 1.00 81.40 11 A 1 ATOM 95 C CB . ILE A 0 11 . -19.608 6.134 23.760 1.00 81.40 11 A 1 ATOM 96 O O . ILE A 0 11 . -18.501 6.310 20.587 1.00 81.40 11 A 1 ATOM 97 C CG1 . ILE A 0 11 . -20.800 6.700 24.568 1.00 81.40 11 A 1 ATOM 98 C CG2 . ILE A 0 11 . -18.458 7.160 23.747 1.00 81.40 11 A 1 ATOM 99 C CD1 . ILE A 0 11 . -20.540 6.766 26.079 1.00 81.40 11 A 1 ATOM 100 N N . SER A 0 12 . -18.295 4.264 21.470 1.00 79.99 12 A 1 ATOM 101 C CA . SER A 0 12 . -17.194 3.868 20.580 1.00 79.99 12 A 1 ATOM 102 C C . SER A 0 12 . -17.603 3.877 19.104 1.00 79.99 12 A 1 ATOM 103 C CB . SER A 0 12 . -16.669 2.477 20.943 1.00 79.99 12 A 1 ATOM 104 O O . SER A 0 12 . -16.854 4.372 18.266 1.00 79.99 12 A 1 ATOM 105 O OG . SER A 0 12 . -16.205 2.433 22.277 1.00 79.99 12 A 1 ATOM 106 N N . LEU A 0 13 . -18.801 3.380 18.780 1.00 79.98 13 A 1 ATOM 107 C CA . LEU A 0 13 . -19.357 3.432 17.423 1.00 79.98 13 A 1 ATOM 108 C C . LEU A 0 13 . -19.587 4.871 16.951 1.00 79.98 13 A 1 ATOM 109 C CB . LEU A 0 13 . -20.673 2.638 17.387 1.00 79.98 13 A 1 ATOM 110 O O . LEU A 0 13 . -19.267 5.189 15.808 1.00 79.98 13 A 1 ATOM 111 C CG . LEU A 0 13 . -20.450 1.132 17.172 1.00 79.98 13 A 1 ATOM 112 C CD1 . LEU A 0 13 . -21.645 0.341 17.698 1.00 79.98 13 A 1 ATOM 113 C CD2 . LEU A 0 13 . -20.288 0.812 15.684 1.00 79.98 13 A 1 ATOM 114 N N . PHE A 0 14 . -20.096 5.746 17.822 1.00 74.98 14 A 1 ATOM 115 C CA . PHE A 0 14 . -20.279 7.161 17.504 1.00 74.98 14 A 1 ATOM 116 C C . PHE A 0 14 . -18.950 7.863 17.240 1.00 74.98 14 A 1 ATOM 117 C CB . PHE A 0 14 . -21.071 7.876 18.608 1.00 74.98 14 A 1 ATOM 118 O O . PHE A 0 14 . -18.836 8.565 16.243 1.00 74.98 14 A 1 ATOM 119 C CG . PHE A 0 14 . -22.484 8.204 18.178 1.00 74.98 14 A 1 ATOM 120 C CD1 . PHE A 0 14 . -22.732 9.392 17.465 1.00 74.98 14 A 1 ATOM 121 C CD2 . PHE A 0 14 . -23.540 7.316 18.452 1.00 74.98 14 A 1 ATOM 122 C CE1 . PHE A 0 14 . -24.036 9.700 17.043 1.00 74.98 14 A 1 ATOM 123 C CE2 . PHE A 0 14 . -24.846 7.625 18.029 1.00 74.98 14 A 1 ATOM 124 C CZ . PHE A 0 14 . -25.093 8.819 17.326 1.00 74.98 14 A 1 ATOM 125 N N . LEU A 0 15 . -17.928 7.619 18.064 1.00 75.23 15 A 1 ATOM 126 C CA . LEU A 0 15 . -16.593 8.184 17.862 1.00 75.23 15 A 1 ATOM 127 C C . LEU A 0 15 . -15.953 7.684 16.560 1.00 75.23 15 A 1 ATOM 128 C CB . LEU A 0 15 . -15.709 7.856 19.077 1.00 75.23 15 A 1 ATOM 129 O O . LEU A 0 15 . -15.381 8.474 15.819 1.00 75.23 15 A 1 ATOM 130 C CG . LEU A 0 15 . -16.080 8.629 20.357 1.00 75.23 15 A 1 ATOM 131 C CD1 . LEU A 0 15 . -15.294 8.057 21.538 1.00 75.23 15 A 1 ATOM 132 C CD2 . LEU A 0 15 . -15.759 10.120 20.246 1.00 75.23 15 A 1 ATOM 133 N N . LEU A 0 16 . -16.088 6.396 16.230 1.00 73.61 16 A 1 ATOM 134 C CA . LEU A 0 16 . -15.609 5.851 14.952 1.00 73.61 16 A 1 ATOM 135 C C . LEU A 0 16 . -16.356 6.455 13.752 1.00 73.61 16 A 1 ATOM 136 C CB . LEU A 0 16 . -15.758 4.320 14.975 1.00 73.61 16 A 1 ATOM 137 O O . LEU A 0 16 . -15.745 6.751 12.720 1.00 73.61 16 A 1 ATOM 138 C CG . LEU A 0 16 . -14.715 3.606 15.855 1.00 73.61 16 A 1 ATOM 139 C CD1 . LEU A 0 16 . -15.156 2.164 16.111 1.00 73.61 16 A 1 ATOM 140 C CD2 . LEU A 0 16 . -13.339 3.572 15.182 1.00 73.61 16 A 1 ATOM 141 N N . ASN A 0 17 . -17.665 6.680 13.887 1.00 68.41 17 A 1 ATOM 142 C CA . ASN A 0 17 . -18.465 7.358 12.870 1.00 68.41 17 A 1 ATOM 143 C C . ASN A 0 17 . -18.077 8.832 12.718 1.00 68.41 17 A 1 ATOM 144 C CB . ASN A 0 17 . -19.962 7.196 13.172 1.00 68.41 17 A 1 ATOM 145 O O . ASN A 0 17 . -17.926 9.290 11.594 1.00 68.41 17 A 1 ATOM 146 C CG . ASN A 0 17 . -20.567 5.951 12.549 1.00 68.41 17 A 1 ATOM 147 N ND2 . ASN A 0 17 . -21.728 5.549 13.006 1.00 68.41 17 A 1 ATOM 148 O OD1 . ASN A 0 17 . -20.056 5.346 11.622 1.00 68.41 17 A 1 ATOM 149 N N . GLU A 0 18 . -17.861 9.565 13.807 1.00 63.24 18 A 1 ATOM 150 C CA . GLU A 0 18 . -17.409 10.962 13.775 1.00 63.24 18 A 1 ATOM 151 C C . GLU A 0 18 . -16.031 11.092 13.131 1.00 63.24 18 A 1 ATOM 152 C CB . GLU A 0 18 . -17.339 11.514 15.203 1.00 63.24 18 A 1 ATOM 153 O O . GLU A 0 18 . -15.829 11.930 12.255 1.00 63.24 18 A 1 ATOM 154 C CG . GLU A 0 18 . -18.716 11.896 15.776 1.00 63.24 18 A 1 ATOM 155 C CD . GLU A 0 18 . -18.910 13.409 15.973 1.00 63.24 18 A 1 ATOM 156 O OE1 . GLU A 0 18 . -20.073 13.851 15.842 1.00 63.24 18 A 1 ATOM 157 O OE2 . GLU A 0 18 . -17.917 14.108 16.272 1.00 63.24 18 A 1 ATOM 158 N N . ILE A 0 19 . -15.095 10.217 13.508 1.00 65.75 19 A 1 ATOM 159 C CA . ILE A 0 19 . -13.751 10.187 12.933 1.00 65.75 19 A 1 ATOM 160 C C . ILE A 0 19 . -13.842 9.906 11.429 1.00 65.75 19 A 1 ATOM 161 C CB . ILE A 0 19 . -12.881 9.168 13.704 1.00 65.75 19 A 1 ATOM 162 O O . ILE A 0 19 . -13.276 10.648 10.625 1.00 65.75 19 A 1 ATOM 163 C CG1 . ILE A 0 19 . -12.574 9.688 15.128 1.00 65.75 19 A 1 ATOM 164 C CG2 . ILE A 0 19 . -11.552 8.921 12.983 1.00 65.75 19 A 1 ATOM 165 C CD1 . ILE A 0 19 . -11.999 8.616 16.064 1.00 65.75 19 A 1 ATOM 166 N N . SER A 0 20 . -14.602 8.887 11.020 1.00 61.78 20 A 1 ATOM 167 C CA . SER A 0 20 . -14.775 8.569 9.597 1.00 61.78 20 A 1 ATOM 168 C C . SER A 0 20 . -15.486 9.684 8.822 1.00 61.78 20 A 1 ATOM 169 C CB . SER A 0 20 . -15.463 7.216 9.401 1.00 61.78 20 A 1 ATOM 170 O O . SER A 0 20 . -15.039 10.025 7.726 1.00 61.78 20 A 1 ATOM 171 O OG . SER A 0 20 . -16.714 7.165 10.035 1.00 61.78 20 A 1 ATOM 172 N N . TYR A 0 21 . -16.511 10.327 9.390 1.00 60.13 21 A 1 ATOM 173 C CA . TYR A 0 21 . -17.172 11.490 8.789 1.00 60.13 21 A 1 ATOM 174 C C . TYR A 0 21 . -16.240 12.695 8.673 1.00 60.13 21 A 1 ATOM 175 C CB . TYR A 0 21 . -18.437 11.879 9.569 1.00 60.13 21 A 1 ATOM 176 O O . TYR A 0 21 . -16.220 13.347 7.627 1.00 60.13 21 A 1 ATOM 177 C CG . TYR A 0 21 . -19.710 11.436 8.881 1.00 60.13 21 A 1 ATOM 178 C CD1 . TYR A 0 21 . -20.278 12.259 7.890 1.00 60.13 21 A 1 ATOM 179 C CD2 . TYR A 0 21 . -20.314 10.209 9.211 1.00 60.13 21 A 1 ATOM 180 C CE1 . TYR A 0 21 . -21.458 11.862 7.235 1.00 60.13 21 A 1 ATOM 181 C CE2 . TYR A 0 21 . -21.498 9.808 8.562 1.00 60.13 21 A 1 ATOM 182 O OH . TYR A 0 21 . -23.211 10.264 6.937 1.00 60.13 21 A 1 ATOM 183 C CZ . TYR A 0 21 . -22.071 10.638 7.573 1.00 60.13 21 A 1 ATOM 184 N N . GLY A 0 22 . -15.438 12.970 9.703 1.00 59.51 22 A 1 ATOM 185 C CA . GLY A 0 22 . -14.418 14.015 9.698 1.00 59.51 22 A 1 ATOM 186 C C . GLY A 0 22 . -13.412 13.801 8.570 1.00 59.51 22 A 1 ATOM 187 O O . GLY A 0 22 . -13.179 14.705 7.767 1.00 59.51 22 A 1 ATOM 188 N N . TYR A 0 23 . -12.904 12.575 8.417 1.00 56.42 23 A 1 ATOM 189 C CA . TYR A 0 23 . -12.009 12.219 7.314 1.00 56.42 23 A 1 ATOM 190 C C . TYR A 0 23 . -12.680 12.339 5.935 1.00 56.42 23 A 1 ATOM 191 C CB . TYR A 0 23 . -11.439 10.810 7.540 1.00 56.42 23 A 1 ATOM 192 O O . TYR A 0 23 . -12.064 12.843 4.992 1.00 56.42 23 A 1 ATOM 193 C CG . TYR A 0 23 . -10.301 10.759 8.545 1.00 56.42 23 A 1 ATOM 194 C CD1 . TYR A 0 23 . -9.081 11.398 8.249 1.00 56.42 23 A 1 ATOM 195 C CD2 . TYR A 0 23 . -10.428 10.044 9.749 1.00 56.42 23 A 1 ATOM 196 C CE1 . TYR A 0 23 . -8.018 11.375 9.174 1.00 56.42 23 A 1 ATOM 197 C CE2 . TYR A 0 23 . -9.365 10.014 10.672 1.00 56.42 23 A 1 ATOM 198 O OH . TYR A 0 23 . -7.164 10.670 11.312 1.00 56.42 23 A 1 ATOM 199 C CZ . TYR A 0 23 . -8.170 10.699 10.401 1.00 56.42 23 A 1 ATOM 200 N N . ILE A 0 24 . -13.956 11.954 5.803 1.00 56.58 24 A 1 ATOM 201 C CA . ILE A 0 24 . -14.731 12.125 4.562 1.00 56.58 24 A 1 ATOM 202 C C . ILE A 0 24 . -14.905 13.613 4.219 1.00 56.58 24 A 1 ATOM 203 C CB . ILE A 0 24 . -16.093 11.394 4.669 1.00 56.58 24 A 1 ATOM 204 O O . ILE A 0 24 . -14.763 13.998 3.054 1.00 56.58 24 A 1 ATOM 205 C CG1 . ILE A 0 24 . -15.892 9.861 4.651 1.00 56.58 24 A 1 ATOM 206 C CG2 . ILE A 0 24 . -17.046 11.791 3.520 1.00 56.58 24 A 1 ATOM 207 C CD1 . ILE A 0 24 . -17.101 9.083 5.192 1.00 56.58 24 A 1 ATOM 208 N N . LEU A 0 25 . -15.192 14.464 5.209 1.00 55.57 25 A 1 ATOM 209 C CA . LEU A 0 25 . -15.327 15.910 5.021 1.00 55.57 25 A 1 ATOM 210 C C . LEU A 0 25 . -14.005 16.551 4.583 1.00 55.57 25 A 1 ATOM 211 C CB . LEU A 0 25 . -15.858 16.561 6.312 1.00 55.57 25 A 1 ATOM 212 O O . LEU A 0 25 . -14.024 17.403 3.693 1.00 55.57 25 A 1 ATOM 213 C CG . LEU A 0 25 . -17.362 16.343 6.559 1.00 55.57 25 A 1 ATOM 214 C CD1 . LEU A 0 25 . -17.724 16.811 7.967 1.00 55.57 25 A 1 ATOM 215 C CD2 . LEU A 0 25 . -18.225 17.128 5.563 1.00 55.57 25 A 1 ATOM 216 N N . VAL A 0 26 . -12.867 16.105 5.123 1.00 54.19 26 A 1 ATOM 217 C CA . VAL A 0 26 . -11.533 16.570 4.709 1.00 54.19 26 A 1 ATOM 218 C C . VAL A 0 26 . -11.219 16.159 3.262 1.00 54.19 26 A 1 ATOM 219 C CB . VAL A 0 26 . -10.450 16.110 5.707 1.00 54.19 26 A 1 ATOM 220 O O . VAL A 0 26 . -10.895 17.040 2.460 1.00 54.19 26 A 1 ATOM 221 C CG1 . VAL A 0 26 . -9.037 16.466 5.229 1.00 54.19 26 A 1 ATOM 222 C CG2 . VAL A 0 26 . -10.643 16.791 7.070 1.00 54.19 26 A 1 ATOM 223 N N . CYS A 0 27 . -11.422 14.884 2.871 1.00 51.77 27 A 1 ATOM 224 C CA . CYS A 0 27 . -11.266 14.455 1.462 1.00 51.77 27 A 1 ATOM 225 C C . CYS A 0 27 . -12.197 15.285 0.535 1.00 51.77 27 A 1 ATOM 226 C CB . CYS A 0 27 . -11.560 12.937 1.247 1.00 51.77 27 A 1 ATOM 227 O O . CYS A 0 27 . -11.813 15.642 -0.580 1.00 51.77 27 A 1 ATOM 228 S SG . CYS A 0 27 . -10.444 11.575 1.809 1.00 51.77 27 A 1 ATOM 229 N N . ARG A 0 28 . -13.427 15.622 0.969 1.00 49.67 28 A 1 ATOM 230 C CA . ARG A 0 28 . -14.389 16.415 0.172 1.00 49.67 28 A 1 ATOM 231 C C . ARG A 0 28 . -14.034 17.898 0.074 1.00 49.67 28 A 1 ATOM 232 C CB . ARG A 0 28 . -15.815 16.261 0.722 1.00 49.67 28 A 1 ATOM 233 O O . ARG A 0 28 . -14.247 18.480 -0.989 1.00 49.67 28 A 1 ATOM 234 C CG . ARG A 0 28 . -16.471 14.941 0.299 1.00 49.67 28 A 1 ATOM 235 C CD . ARG A 0 28 . -17.907 14.878 0.833 1.00 49.67 28 A 1 ATOM 236 N NE . ARG A 0 28 . -18.607 13.659 0.384 1.00 49.67 28 A 1 ATOM 237 N NH1 . ARG A 0 28 . -20.553 13.979 1.567 1.00 49.67 28 A 1 ATOM 238 N NH2 . ARG A 0 28 . -20.328 12.164 0.295 1.00 49.67 28 A 1 ATOM 239 C CZ . ARG A 0 28 . -19.821 13.276 0.747 1.00 49.67 28 A 1 ATOM 240 N N . LYS A 0 29 . -13.507 18.514 1.136 1.00 49.59 29 A 1 ATOM 241 C CA . LYS A 0 29 . -13.121 19.935 1.142 1.00 49.59 29 A 1 ATOM 242 C C . LYS A 0 29 . -12.013 20.208 0.124 1.00 49.59 29 A 1 ATOM 243 C CB . LYS A 0 29 . -12.742 20.363 2.569 1.00 49.59 29 A 1 ATOM 244 O O . LYS A 0 29 . -12.123 21.168 -0.632 1.00 49.59 29 A 1 ATOM 245 C CG . LYS A 0 29 . -12.571 21.887 2.690 1.00 49.59 29 A 1 ATOM 246 C CD . LYS A 0 29 . -12.304 22.301 4.144 1.00 49.59 29 A 1 ATOM 247 C CE . LYS A 0 29 . -12.115 23.821 4.232 1.00 49.59 29 A 1 ATOM 248 N NZ . LYS A 0 29 . -11.814 24.263 5.618 1.00 49.59 29 A 1 ATOM 249 N N . MET A 0 30 . -11.045 19.297 -0.008 1.00 46.79 30 A 1 ATOM 250 C CA . MET A 0 30 . -9.996 19.406 -1.032 1.00 46.79 30 A 1 ATOM 251 C C . MET A 0 30 . -10.536 19.392 -2.472 1.00 46.79 30 A 1 ATOM 252 C CB . MET A 0 30 . -8.957 18.292 -0.855 1.00 46.79 30 A 1 ATOM 253 O O . MET A 0 30 . -9.950 20.016 -3.350 1.00 46.79 30 A 1 ATOM 254 C CG . MET A 0 30 . -8.118 18.465 0.417 1.00 46.79 30 A 1 ATOM 255 S SD . MET A 0 30 . -6.415 17.882 0.203 1.00 46.79 30 A 1 ATOM 256 C CE . MET A 0 30 . -5.760 18.121 1.878 1.00 46.79 30 A 1 ATOM 257 N N . LYS A 0 31 . -11.690 18.758 -2.731 1.00 46.42 31 A 1 ATOM 258 C CA . LYS A 0 31 . -12.335 18.765 -4.059 1.00 46.42 31 A 1 ATOM 259 C C . LYS A 0 31 . -12.860 20.154 -4.459 1.00 46.42 31 A 1 ATOM 260 C CB . LYS A 0 31 . -13.447 17.696 -4.084 1.00 46.42 31 A 1 ATOM 261 O O . LYS A 0 31 . -13.097 20.387 -5.641 1.00 46.42 31 A 1 ATOM 262 C CG . LYS A 0 31 . -13.885 17.301 -5.506 1.00 46.42 31 A 1 ATOM 263 C CD . LYS A 0 31 . -14.958 16.200 -5.486 1.00 46.42 31 A 1 ATOM 264 C CE . LYS A 0 31 . -15.366 15.844 -6.924 1.00 46.42 31 A 1 ATOM 265 N NZ . LYS A 0 31 . -16.404 14.780 -6.978 1.00 46.42 31 A 1 ATOM 266 N N . LYS A 0 32 . -13.080 21.058 -3.496 1.00 47.66 32 A 1 ATOM 267 C CA . LYS A 0 32 . -13.710 22.368 -3.725 1.00 47.66 32 A 1 ATOM 268 C C . LYS A 0 32 . -12.708 23.512 -3.935 1.00 47.66 32 A 1 ATOM 269 C CB . LYS A 0 32 . -14.729 22.652 -2.603 1.00 47.66 32 A 1 ATOM 270 O O . LYS A 0 32 . -13.083 24.503 -4.553 1.00 47.66 32 A 1 ATOM 271 C CG . LYS A 0 32 . -16.100 23.046 -3.178 1.00 47.66 32 A 1 ATOM 272 C CD . LYS A 0 32 . -17.122 23.315 -2.063 1.00 47.66 32 A 1 ATOM 273 C CE . LYS A 0 32 . -18.482 23.690 -2.668 1.00 47.66 32 A 1 ATOM 274 N NZ . LYS A 0 32 . -19.472 24.061 -1.624 1.00 47.66 32 A 1 ATOM 275 N N . ASP A 0 33 . -11.447 23.359 -3.524 1.00 49.93 33 A 1 ATOM 276 C CA . ASP A 0 33 . -10.379 24.346 -3.765 1.00 49.93 33 A 1 ATOM 277 C C . ASP A 0 33 . -9.786 24.188 -5.182 1.00 49.93 33 A 1 ATOM 278 C CB . ASP A 0 33 . -9.351 24.329 -2.616 1.00 49.93 33 A 1 ATOM 279 O O . ASP A 0 33 . -8.636 23.811 -5.412 1.00 49.93 33 A 1 ATOM 280 C CG . ASP A 0 33 . -9.867 25.024 -1.344 1.00 49.93 33 A 1 ATOM 281 O OD1 . ASP A 0 33 . -10.679 25.968 -1.477 1.00 49.93 33 A 1 ATOM 282 O OD2 . ASP A 0 33 . -9.445 24.615 -0.240 1.00 49.93 33 A 1 ATOM 283 N N . SER A 0 34 . -10.627 24.462 -6.180 1.00 43.78 34 A 1 ATOM 284 C CA . SER A 0 34 . -10.424 24.189 -7.605 1.00 43.78 34 A 1 ATOM 285 C C . SER A 0 34 . -9.585 25.246 -8.347 1.00 43.78 34 A 1 ATOM 286 C CB . SER A 0 34 . -11.799 23.985 -8.258 1.00 43.78 34 A 1 ATOM 287 O O . SER A 0 34 . -10.030 25.798 -9.353 1.00 43.78 34 A 1 ATOM 288 O OG . SER A 0 34 . -12.545 25.185 -8.204 1.00 43.78 34 A 1 ATOM 289 N N . LYS A 0 35 . -8.355 25.527 -7.892 1.00 46.25 35 A 1 ATOM 290 C CA . LYS A 0 35 . -7.354 26.282 -8.693 1.00 46.25 35 A 1 ATOM 291 C C . LYS A 0 35 . -6.254 25.418 -9.315 1.00 46.25 35 A 1 ATOM 292 C CB . LYS A 0 35 . -6.793 27.488 -7.918 1.00 46.25 35 A 1 ATOM 293 O O . LYS A 0 35 . -5.444 25.924 -10.086 1.00 46.25 35 A 1 ATOM 294 C CG . LYS A 0 35 . -7.748 28.691 -7.989 1.00 46.25 35 A 1 ATOM 295 C CD . LYS A 0 35 . -7.097 29.950 -7.399 1.00 46.25 35 A 1 ATOM 296 C CE . LYS A 0 35 . -8.054 31.143 -7.517 1.00 46.25 35 A 1 ATOM 297 N NZ . LYS A 0 35 . -7.466 32.388 -6.959 1.00 46.25 35 A 1 ATOM 298 N N . ARG A 0 36 . -6.224 24.114 -9.038 1.00 41.00 36 A 1 ATOM 299 C CA . ARG A 0 36 . -5.328 23.161 -9.703 1.00 41.00 36 A 1 ATOM 300 C C . ARG A 0 36 . -6.108 21.895 -10.020 1.00 41.00 36 A 1 ATOM 301 C CB . ARG A 0 36 . -4.090 22.884 -8.832 1.00 41.00 36 A 1 ATOM 302 O O . ARG A 0 36 . -6.641 21.256 -9.121 1.00 41.00 36 A 1 ATOM 303 C CG . ARG A 0 36 . -3.109 24.069 -8.831 1.00 41.00 36 A 1 ATOM 304 C CD . ARG A 0 36 . -1.867 23.772 -7.985 1.00 41.00 36 A 1 ATOM 305 N NE . ARG A 0 36 . -0.870 24.855 -8.097 1.00 41.00 36 A 1 ATOM 306 N NH1 . ARG A 0 36 . 0.518 24.182 -6.392 1.00 41.00 36 A 1 ATOM 307 N NH2 . ARG A 0 36 . 1.058 25.971 -7.610 1.00 41.00 36 A 1 ATOM 308 C CZ . ARG A 0 36 . 0.225 24.997 -7.368 1.00 41.00 36 A 1 ATOM 309 N N . SER A 0 37 . -6.173 21.555 -11.301 1.00 33.96 37 A 1 ATOM 310 C CA . SER A 0 37 . -6.704 20.300 -11.827 1.00 33.96 37 A 1 ATOM 311 C C . SER A 0 37 . -5.832 19.127 -11.365 1.00 33.96 37 A 1 ATOM 312 C CB . SER A 0 37 . -6.755 20.401 -13.359 1.00 33.96 37 A 1 ATOM 313 O O . SER A 0 37 . -5.033 18.595 -12.130 1.00 33.96 37 A 1 ATOM 314 O OG . SER A 0 37 . -5.490 20.814 -13.846 1.00 33.96 37 A 1 ATOM 315 N N . TYR A 0 38 . -5.942 18.749 -10.094 1.00 39.85 38 A 1 ATOM 316 C CA . TYR A 0 38 . -5.457 17.464 -9.614 1.00 39.85 38 A 1 ATOM 317 C C . TYR A 0 38 . -6.525 16.420 -9.897 1.00 39.85 38 A 1 ATOM 318 C CB . TYR A 0 38 . -5.034 17.520 -8.144 1.00 39.85 38 A 1 ATOM 319 O O . TYR A 0 38 . -7.687 16.573 -9.525 1.00 39.85 38 A 1 ATOM 320 C CG . TYR A 0 38 . -3.555 17.817 -8.016 1.00 39.85 38 A 1 ATOM 321 C CD1 . TYR A 0 38 . -2.633 16.755 -7.939 1.00 39.85 38 A 1 ATOM 322 C CD2 . TYR A 0 38 . -3.098 19.147 -8.053 1.00 39.85 38 A 1 ATOM 323 C CE1 . TYR A 0 38 . -1.253 17.022 -7.897 1.00 39.85 38 A 1 ATOM 324 C CE2 . TYR A 0 38 . -1.716 19.419 -8.011 1.00 39.85 38 A 1 ATOM 325 O OH . TYR A 0 38 . 0.543 18.599 -7.897 1.00 39.85 38 A 1 ATOM 326 C CZ . TYR A 0 38 . -0.792 18.353 -7.934 1.00 39.85 38 A 1 ATOM 327 N N . HIS A 0 39 . -6.098 15.395 -10.626 1.00 36.38 39 A 1 ATOM 328 C CA . HIS A 0 39 . -6.881 14.274 -11.111 1.00 36.38 39 A 1 ATOM 329 C C . HIS A 0 39 . -7.960 13.821 -10.121 1.00 36.38 39 A 1 ATOM 330 C CB . HIS A 0 39 . -5.896 13.149 -11.448 1.00 36.38 39 A 1 ATOM 331 O O . HIS A 0 39 . -7.700 13.127 -9.134 1.00 36.38 39 A 1 ATOM 332 C CG . HIS A 0 39 . -5.003 13.513 -12.607 1.00 36.38 39 A 1 ATOM 333 C CD2 . HIS A 0 39 . -3.691 13.906 -12.559 1.00 36.38 39 A 1 ATOM 334 N ND1 . HIS A 0 39 . -5.388 13.548 -13.928 1.00 36.38 39 A 1 ATOM 335 C CE1 . HIS A 0 39 . -4.336 13.950 -14.659 1.00 36.38 39 A 1 ATOM 336 N NE2 . HIS A 0 39 . -3.280 14.181 -13.866 1.00 36.38 39 A 1 ATOM 337 N N . GLY A 0 40 . -9.200 14.194 -10.446 1.00 32.59 40 A 1 ATOM 338 C CA . GLY A 0 40 . -10.384 13.532 -9.928 1.00 32.59 40 A 1 ATOM 339 C C . GLY A 0 40 . -10.244 12.023 -10.123 1.00 32.59 40 A 1 ATOM 340 O O . GLY A 0 40 . -9.721 11.568 -11.135 1.00 32.59 40 A 1 ATOM 341 N N . TYR A 0 41 . -10.680 11.260 -9.122 1.00 40.56 41 A 1 ATOM 342 C CA . TYR A 0 41 . -10.685 9.792 -9.126 1.00 40.56 41 A 1 ATOM 343 C C . TYR A 0 41 . -9.300 9.100 -9.135 1.00 40.56 41 A 1 ATOM 344 C CB . TYR A 0 41 . -11.669 9.285 -10.201 1.00 40.56 41 A 1 ATOM 345 O O . TYR A 0 41 . -9.226 7.909 -9.415 1.00 40.56 41 A 1 ATOM 346 C CG . TYR A 0 41 . -13.106 9.707 -9.945 1.00 40.56 41 A 1 ATOM 347 C CD1 . TYR A 0 41 . -13.937 8.863 -9.186 1.00 40.56 41 A 1 ATOM 348 C CD2 . TYR A 0 41 . -13.612 10.925 -10.446 1.00 40.56 41 A 1 ATOM 349 C CE1 . TYR A 0 41 . -15.269 9.226 -8.922 1.00 40.56 41 A 1 ATOM 350 C CE2 . TYR A 0 41 . -14.941 11.304 -10.166 1.00 40.56 41 A 1 ATOM 351 O OH . TYR A 0 41 . -17.050 10.817 -9.129 1.00 40.56 41 A 1 ATOM 352 C CZ . TYR A 0 41 . -15.771 10.452 -9.405 1.00 40.56 41 A 1 ATOM 353 N N . GLY A 0 42 . -8.214 9.808 -8.771 1.00 42.13 42 A 1 ATOM 354 C CA . GLY A 0 42 . -6.824 9.319 -8.873 1.00 42.13 42 A 1 ATOM 355 C C . GLY A 0 42 . -5.948 9.377 -7.609 1.00 42.13 42 A 1 ATOM 356 O O . GLY A 0 42 . -4.730 9.325 -7.729 1.00 42.13 42 A 1 ATOM 357 N N . GLY A 0 43 . -6.530 9.480 -6.409 1.00 40.69 43 A 1 ATOM 358 C CA . GLY A 0 43 . -5.942 8.933 -5.173 1.00 40.69 43 A 1 ATOM 359 C C . GLY A 0 43 . -4.520 9.346 -4.753 1.00 40.69 43 A 1 ATOM 360 O O . GLY A 0 43 . -3.717 8.463 -4.461 1.00 40.69 43 A 1 ATOM 361 N N . TYR A 0 44 . -4.229 10.643 -4.603 1.00 49.17 44 A 1 ATOM 362 C CA . TYR A 0 44 . -3.107 11.083 -3.757 1.00 49.17 44 A 1 ATOM 363 C C . TYR A 0 44 . -3.545 12.218 -2.821 1.00 49.17 44 A 1 ATOM 364 C CB . TYR A 0 44 . -1.843 11.383 -4.589 1.00 49.17 44 A 1 ATOM 365 O O . TYR A 0 44 . -3.383 13.398 -3.115 1.00 49.17 44 A 1 ATOM 366 C CG . TYR A 0 44 . -0.616 10.648 -4.076 1.00 49.17 44 A 1 ATOM 367 C CD1 . TYR A 0 44 . 0.252 11.248 -3.140 1.00 49.17 44 A 1 ATOM 368 C CD2 . TYR A 0 44 . -0.365 9.335 -4.520 1.00 49.17 44 A 1 ATOM 369 C CE1 . TYR A 0 44 . 1.377 10.542 -2.662 1.00 49.17 44 A 1 ATOM 370 C CE2 . TYR A 0 44 . 0.761 8.632 -4.052 1.00 49.17 44 A 1 ATOM 371 O OH . TYR A 0 44 . 2.711 8.530 -2.681 1.00 49.17 44 A 1 ATOM 372 C CZ . TYR A 0 44 . 1.636 9.232 -3.123 1.00 49.17 44 A 1 ATOM 373 N N . CYS A 0 45 . -4.159 11.845 -1.695 1.00 52.89 45 A 1 ATOM 374 C CA . CYS A 0 45 . -4.272 12.728 -0.537 1.00 52.89 45 A 1 ATOM 375 C C . CYS A 0 45 . -3.017 12.498 0.315 1.00 52.89 45 A 1 ATOM 376 C CB . CYS A 0 45 . -5.542 12.394 0.256 1.00 52.89 45 A 1 ATOM 377 O O . CYS A 0 45 . -2.884 11.386 0.832 1.00 52.89 45 A 1 ATOM 378 S SG . CYS A 0 45 . -5.746 13.341 1.789 1.00 52.89 45 A 1 ATOM 379 N N . PRO A 0 46 . -2.103 13.477 0.457 1.00 55.64 46 A 1 ATOM 380 C CA . PRO A 0 46 . -0.905 13.304 1.283 1.00 55.64 46 A 1 ATOM 381 C C . PRO A 0 46 . -1.268 13.010 2.745 1.00 55.64 46 A 1 ATOM 382 C CB . PRO A 0 46 . -0.109 14.604 1.126 1.00 55.64 46 A 1 ATOM 383 O O . PRO A 0 46 . -0.605 12.208 3.393 1.00 55.64 46 A 1 ATOM 384 C CG . PRO A 0 46 . -1.159 15.641 0.726 1.00 55.64 46 A 1 ATOM 385 C CD . PRO A 0 46 . -2.174 14.830 -0.075 1.00 55.64 46 A 1 ATOM 386 N N . ASP A 0 47 . -2.387 13.562 3.216 1.00 51.44 47 A 1 ATOM 387 C CA . ASP A 0 47 . -2.858 13.394 4.592 1.00 51.44 47 A 1 ATOM 388 C C . ASP A 0 47 . -3.686 12.114 4.798 1.00 51.44 47 A 1 ATOM 389 C CB . ASP A 0 47 . -3.685 14.632 4.973 1.00 51.44 47 A 1 ATOM 390 O O . ASP A 0 47 . -3.948 11.699 5.925 1.00 51.44 47 A 1 ATOM 391 C CG . ASP A 0 47 . -2.930 15.945 4.743 1.00 51.44 47 A 1 ATOM 392 O OD1 . ASP A 0 47 . -1.717 15.986 5.039 1.00 51.44 47 A 1 ATOM 393 O OD2 . ASP A 0 47 . -3.569 16.877 4.205 1.00 51.44 47 A 1 ATOM 394 N N . CYS A 0 48 . -4.154 11.487 3.715 1.00 54.85 48 A 1 ATOM 395 C CA . CYS A 0 48 . -5.156 10.426 3.772 1.00 54.85 48 A 1 ATOM 396 C C . CYS A 0 48 . -5.080 9.412 2.608 1.00 54.85 48 A 1 ATOM 397 C CB . CYS A 0 48 . -6.527 11.087 3.983 1.00 54.85 48 A 1 ATOM 398 O O . CYS A 0 48 . -6.101 9.099 1.979 1.00 54.85 48 A 1 ATOM 399 S SG . CYS A 0 48 . -7.199 12.307 2.802 1.00 54.85 48 A 1 ATOM 400 N N . PRO A 0 49 . -3.889 8.842 2.322 1.00 54.73 49 A 1 ATOM 401 C CA . PRO A 0 49 . -3.648 8.011 1.141 1.00 54.73 49 A 1 ATOM 402 C C . PRO A 0 49 . -4.413 6.686 1.164 1.00 54.73 49 A 1 ATOM 403 C CB . PRO A 0 49 . -2.133 7.770 1.122 1.00 54.73 49 A 1 ATOM 404 O O . PRO A 0 49 . -4.731 6.152 0.107 1.00 54.73 49 A 1 ATOM 405 C CG . PRO A 0 49 . -1.728 7.876 2.591 1.00 54.73 49 A 1 ATOM 406 C CD . PRO A 0 49 . -2.662 8.964 3.106 1.00 54.73 49 A 1 ATOM 407 N N . LEU A 0 50 . -4.719 6.146 2.347 1.00 51.74 50 A 1 ATOM 408 C CA . LEU A 0 50 . -5.444 4.881 2.507 1.00 51.74 50 A 1 ATOM 409 C C . LEU A 0 50 . -6.962 5.072 2.409 1.00 51.74 50 A 1 ATOM 410 C CB . LEU A 0 50 . -5.040 4.250 3.853 1.00 51.74 50 A 1 ATOM 411 O O . LEU A 0 50 . -7.645 4.284 1.761 1.00 51.74 50 A 1 ATOM 412 C CG . LEU A 0 50 . -3.596 3.713 3.883 1.00 51.74 50 A 1 ATOM 413 C CD1 . LEU A 0 50 . -3.173 3.430 5.322 1.00 51.74 50 A 1 ATOM 414 C CD2 . LEU A 0 50 . -3.461 2.419 3.076 1.00 51.74 50 A 1 ATOM 415 N N . ILE A 0 51 . -7.487 6.142 3.008 1.00 48.90 51 A 1 ATOM 416 C CA . ILE A 0 51 . -8.930 6.369 3.151 1.00 48.90 51 A 1 ATOM 417 C C . ILE A 0 51 . -9.545 6.772 1.816 1.00 48.90 51 A 1 ATOM 418 C CB . ILE A 0 51 . -9.208 7.401 4.267 1.00 48.90 51 A 1 ATOM 419 O O . ILE A 0 51 . -10.477 6.110 1.356 1.00 48.90 51 A 1 ATOM 420 C CG1 . ILE A 0 51 . -8.735 6.828 5.624 1.00 48.90 51 A 1 ATOM 421 C CG2 . ILE A 0 51 . -10.702 7.763 4.325 1.00 48.90 51 A 1 ATOM 422 C CD1 . ILE A 0 51 . -8.852 7.808 6.797 1.00 48.90 51 A 1 ATOM 423 N N . CYS A 0 52 . -9.001 7.791 1.135 1.00 49.29 52 A 1 ATOM 424 C CA . CYS A 0 52 . -9.600 8.179 -0.140 1.00 49.29 52 A 1 ATOM 425 C C . CYS A 0 52 . -9.440 7.051 -1.201 1.00 49.29 52 A 1 ATOM 426 C CB . CYS A 0 52 . -9.134 9.564 -0.645 1.00 49.29 52 A 1 ATOM 427 O O . CYS A 0 52 . -10.237 7.003 -2.127 1.00 49.29 52 A 1 ATOM 428 S SG . CYS A 0 52 . -8.959 11.082 0.401 1.00 49.29 52 A 1 ATOM 429 N N . ARG A 0 53 . -8.501 6.096 -1.041 1.00 46.41 53 A 1 ATOM 430 C CA . ARG A 0 53 . -8.313 4.917 -1.924 1.00 46.41 53 A 1 ATOM 431 C C . ARG A 0 53 . -9.413 3.862 -1.793 1.00 46.41 53 A 1 ATOM 432 C CB . ARG A 0 53 . -6.955 4.260 -1.612 1.00 46.41 53 A 1 ATOM 433 O O . ARG A 0 53 . -9.760 3.220 -2.782 1.00 46.41 53 A 1 ATOM 434 C CG . ARG A 0 53 . -6.124 3.897 -2.850 1.00 46.41 53 A 1 ATOM 435 C CD . ARG A 0 53 . -4.759 3.352 -2.402 1.00 46.41 53 A 1 ATOM 436 N NE . ARG A 0 53 . -3.872 3.044 -3.544 1.00 46.41 53 A 1 ATOM 437 N NH1 . ARG A 0 53 . -1.934 2.798 -2.333 1.00 46.41 53 A 1 ATOM 438 N NH2 . ARG A 0 53 . -1.884 2.516 -4.540 1.00 46.41 53 A 1 ATOM 439 C CZ . ARG A 0 53 . -2.575 2.792 -3.469 1.00 46.41 53 A 1 ATOM 440 N N . VAL A 0 54 . -9.935 3.670 -0.580 1.00 49.25 54 A 1 ATOM 441 C CA . VAL A 0 54 . -11.034 2.729 -0.296 1.00 49.25 54 A 1 ATOM 442 C C . VAL A 0 54 . -12.366 3.301 -0.781 1.00 49.25 54 A 1 ATOM 443 C CB . VAL A 0 54 . -11.070 2.373 1.206 1.00 49.25 54 A 1 ATOM 444 O O . VAL A 0 54 . -13.182 2.565 -1.320 1.00 49.25 54 A 1 ATOM 445 C CG1 . VAL A 0 54 . -12.280 1.514 1.591 1.00 49.25 54 A 1 ATOM 446 C CG2 . VAL A 0 54 . -9.814 1.579 1.596 1.00 49.25 54 A 1 ATOM 447 N N . PHE A 0 55 . -12.560 4.618 -0.673 1.00 47.89 55 A 1 ATOM 448 C CA . PHE A 0 55 . -13.799 5.275 -1.099 1.00 47.89 55 A 1 ATOM 449 C C . PHE A 0 55 . -13.888 5.565 -2.609 1.00 47.89 55 A 1 ATOM 450 C CB . PHE A 0 55 . -14.006 6.545 -0.261 1.00 47.89 55 A 1 ATOM 451 O O . PHE A 0 55 . -14.992 5.758 -3.106 1.00 47.89 55 A 1 ATOM 452 C CG . PHE A 0 55 . -14.469 6.274 1.161 1.00 47.89 55 A 1 ATOM 453 C CD1 . PHE A 0 55 . -15.782 5.821 1.390 1.00 47.89 55 A 1 ATOM 454 C CD2 . PHE A 0 55 . -13.613 6.485 2.258 1.00 47.89 55 A 1 ATOM 455 C CE1 . PHE A 0 55 . -16.230 5.572 2.699 1.00 47.89 55 A 1 ATOM 456 C CE2 . PHE A 0 55 . -14.058 6.226 3.567 1.00 47.89 55 A 1 ATOM 457 C CZ . PHE A 0 55 . -15.366 5.769 3.788 1.00 47.89 55 A 1 ATOM 458 N N . THR A 0 56 . -12.776 5.609 -3.358 1.00 50.63 56 A 1 ATOM 459 C CA . THR A 0 56 . -12.801 5.840 -4.822 1.00 50.63 56 A 1 ATOM 460 C C . THR A 0 56 . -13.030 4.585 -5.655 1.00 50.63 56 A 1 ATOM 461 C CB . THR A 0 56 . -11.508 6.497 -5.328 1.00 50.63 56 A 1 ATOM 462 O O . THR A 0 56 . -13.383 4.694 -6.825 1.00 50.63 56 A 1 ATOM 463 C CG2 . THR A 0 56 . -11.427 7.967 -4.913 1.00 50.63 56 A 1 ATOM 464 O OG1 . THR A 0 56 . -10.363 5.809 -4.867 1.00 50.63 56 A 1 ATOM 465 N N . ASN A 0 57 . -12.810 3.403 -5.087 1.00 42.81 57 A 1 ATOM 466 C CA . ASN A 0 57 . -13.076 2.145 -5.767 1.00 42.81 57 A 1 ATOM 467 C C . ASN A 0 57 . -14.438 1.652 -5.296 1.00 42.81 57 A 1 ATOM 468 C CB . ASN A 0 57 . -11.956 1.142 -5.428 1.00 42.81 57 A 1 ATOM 469 O O . ASN A 0 57 . -14.470 1.009 -4.256 1.00 42.81 57 A 1 ATOM 470 C CG . ASN A 0 57 . -10.644 1.425 -6.126 1.00 42.81 57 A 1 ATOM 471 N ND2 . ASN A 0 57 . -9.555 0.917 -5.600 1.00 42.81 57 A 1 ATOM 472 O OD1 . ASN A 0 57 . -10.553 2.088 -7.144 1.00 42.81 57 A 1 ATOM 473 N N . ASP A 0 58 . -15.515 1.948 -6.038 1.00 46.34 58 A 1 ATOM 474 C CA . ASP A 0 58 . -16.910 1.476 -5.862 1.00 46.34 58 A 1 ATOM 475 C C . ASP A 0 58 . -17.029 -0.067 -5.744 1.00 46.34 58 A 1 ATOM 476 C CB . ASP A 0 58 . -17.763 1.959 -7.059 1.00 46.34 58 A 1 ATOM 477 O O . ASP A 0 58 . -17.628 -0.738 -6.581 1.00 46.34 58 A 1 ATOM 478 C CG . ASP A 0 58 . -18.151 3.435 -7.037 1.00 46.34 58 A 1 ATOM 479 O OD1 . ASP A 0 58 . -18.463 3.938 -5.938 1.00 46.34 58 A 1 ATOM 480 O OD2 . ASP A 0 58 . -18.179 4.023 -8.142 1.00 46.34 58 A 1 ATOM 481 N N . MET A 0 59 . -16.356 -0.668 -4.763 1.00 46.66 59 A 1 ATOM 482 C CA . MET A 0 59 . -16.048 -2.092 -4.593 1.00 46.66 59 A 1 ATOM 483 C C . MET A 0 59 . -15.531 -2.825 -5.847 1.00 46.66 59 A 1 ATOM 484 C CB . MET A 0 59 . -17.223 -2.800 -3.913 1.00 46.66 59 A 1 ATOM 485 O O . MET A 0 59 . -15.389 -4.048 -5.844 1.00 46.66 59 A 1 ATOM 486 C CG . MET A 0 59 . -17.502 -2.192 -2.533 1.00 46.66 59 A 1 ATOM 487 S SD . MET A 0 59 . -18.644 -3.160 -1.517 1.00 46.66 59 A 1 ATOM 488 C CE . MET A 0 59 . -20.181 -2.922 -2.447 1.00 46.66 59 A 1 ATOM 489 N N . LYS A 0 60 . -15.198 -2.106 -6.925 1.00 40.33 60 A 1 ATOM 490 C CA . LYS A 0 60 . -14.641 -2.685 -8.147 1.00 40.33 60 A 1 ATOM 491 C C . LYS A 0 60 . -13.147 -2.914 -7.969 1.00 40.33 60 A 1 ATOM 492 C CB . LYS A 0 60 . -14.981 -1.823 -9.371 1.00 40.33 60 A 1 ATOM 493 O O . LYS A 0 60 . -12.401 -2.019 -7.572 1.00 40.33 60 A 1 ATOM 494 C CG . LYS A 0 60 . -16.466 -1.977 -9.740 1.00 40.33 60 A 1 ATOM 495 C CD . LYS A 0 60 . -16.837 -1.147 -10.973 1.00 40.33 60 A 1 ATOM 496 C CE . LYS A 0 60 . -18.334 -1.306 -11.262 1.00 40.33 60 A 1 ATOM 497 N NZ . LYS A 0 60 . -18.756 -0.478 -12.419 1.00 40.33 60 A 1 ATOM 498 N N . ARG A 0 61 . -12.719 -4.141 -8.273 1.00 41.58 61 A 1 ATOM 499 C CA . ARG A 0 61 . -11.309 -4.540 -8.321 1.00 41.58 61 A 1 ATOM 500 C C . ARG A 0 61 . -10.561 -3.555 -9.228 1.00 41.58 61 A 1 ATOM 501 C CB . ARG A 0 61 . -11.233 -5.976 -8.863 1.00 41.58 61 A 1 ATOM 502 O O . ARG A 0 61 . -10.979 -3.407 -10.375 1.00 41.58 61 A 1 ATOM 503 C CG . ARG A 0 61 . -9.825 -6.582 -8.807 1.00 41.58 61 A 1 ATOM 504 C CD . ARG A 0 61 . -9.881 -8.023 -9.331 1.00 41.58 61 A 1 ATOM 505 N NE . ARG A 0 61 . -8.654 -8.775 -9.001 1.00 41.58 61 A 1 ATOM 506 N NH1 . ARG A 0 61 . -9.645 -10.736 -8.298 1.00 41.58 61 A 1 ATOM 507 N NH2 . ARG A 0 61 . -7.429 -10.547 -8.255 1.00 41.58 61 A 1 ATOM 508 C CZ . ARG A 0 61 . -8.585 -10.008 -8.523 1.00 41.58 61 A 1 ATOM 509 N N . PRO A 0 62 . -9.487 -2.897 -8.761 1.00 47.82 62 A 1 ATOM 510 C CA . PRO A 0 62 . -8.701 -2.045 -9.636 1.00 47.82 62 A 1 ATOM 511 C C . PRO A 0 62 . -8.169 -2.896 -10.794 1.00 47.82 62 A 1 ATOM 512 C CB . PRO A 0 62 . -7.600 -1.439 -8.758 1.00 47.82 62 A 1 ATOM 513 O O . PRO A 0 62 . -7.577 -3.959 -10.564 1.00 47.82 62 A 1 ATOM 514 C CG . PRO A 0 62 . -7.490 -2.402 -7.575 1.00 47.82 62 A 1 ATOM 515 C CD . PRO A 0 62 . -8.900 -2.969 -7.433 1.00 47.82 62 A 1 ATOM 516 N N . GLU A 0 63 . -8.406 -2.445 -12.029 1.00 47.92 63 A 1 ATOM 517 C CA . GLU A 0 63 . -7.692 -2.961 -13.197 1.00 47.92 63 A 1 ATOM 518 C C . GLU A 0 63 . -6.193 -2.919 -12.896 1.00 47.92 63 A 1 ATOM 519 C CB . GLU A 0 63 . -8.013 -2.155 -14.464 1.00 47.92 63 A 1 ATOM 520 O O . GLU A 0 63 . -5.721 -2.016 -12.200 1.00 47.92 63 A 1 ATOM 521 C CG . GLU A 0 63 . -9.417 -2.466 -15.002 1.00 47.92 63 A 1 ATOM 522 C CD . GLU A 0 63 . -9.731 -1.742 -16.322 1.00 47.92 63 A 1 ATOM 523 O OE1 . GLU A 0 63 . -10.718 -2.154 -16.967 1.00 47.92 63 A 1 ATOM 524 O OE2 . GLU A 0 63 . -8.990 -0.794 -16.670 1.00 47.92 63 A 1 ATOM 525 N N . SER A 0 64 . -5.474 -3.956 -13.335 1.00 47.00 64 A 1 ATOM 526 C CA . SER A 0 64 . -4.091 -4.252 -12.954 1.00 47.00 64 A 1 ATOM 527 C C . SER A 0 64 . -3.271 -2.986 -12.707 1.00 47.00 64 A 1 ATOM 528 C CB . SER A 0 64 . -3.427 -5.094 -14.048 1.00 47.00 64 A 1 ATOM 529 O O . SER A 0 64 . -2.977 -2.240 -13.639 1.00 47.00 64 A 1 ATOM 530 O OG . SER A 0 64 . -3.556 -4.469 -15.307 1.00 47.00 64 A 1 ATOM 531 N N . PHE A 0 65 . -2.894 -2.780 -11.442 1.00 47.35 65 A 1 ATOM 532 C CA . PHE A 0 65 . -2.107 -1.655 -10.929 1.00 47.35 65 A 1 ATOM 533 C C . PHE A 0 65 . -0.641 -1.742 -11.391 1.00 47.35 65 A 1 ATOM 534 C CB . PHE A 0 65 . -2.266 -1.611 -9.392 1.00 47.35 65 A 1 ATOM 535 O O . PHE A 0 65 . 0.292 -1.625 -10.601 1.00 47.35 65 A 1 ATOM 536 C CG . PHE A 0 65 . -2.427 -0.225 -8.795 1.00 47.35 65 A 1 ATOM 537 C CD1 . PHE A 0 65 . -1.311 0.566 -8.461 1.00 47.35 65 A 1 ATOM 538 C CD2 . PHE A 0 65 . -3.724 0.268 -8.559 1.00 47.35 65 A 1 ATOM 539 C CE1 . PHE A 0 65 . -1.498 1.850 -7.911 1.00 47.35 65 A 1 ATOM 540 C CE2 . PHE A 0 65 . -3.911 1.544 -8.003 1.00 47.35 65 A 1 ATOM 541 C CZ . PHE A 0 65 . -2.797 2.342 -7.689 1.00 47.35 65 A 1 ATOM 542 N N . GLN A 0 66 . -0.416 -2.029 -12.671 1.00 45.94 66 A 1 ATOM 543 C CA . GLN A 0 66 . 0.892 -1.868 -13.269 1.00 45.94 66 A 1 ATOM 544 C C . GLN A 0 66 . 0.992 -0.400 -13.678 1.00 45.94 66 A 1 ATOM 545 C CB . GLN A 0 66 . 1.101 -2.834 -14.441 1.00 45.94 66 A 1 ATOM 546 O O . GLN A 0 66 . 0.243 0.016 -14.568 1.00 45.94 66 A 1 ATOM 547 C CG . GLN A 0 66 . 1.190 -4.284 -13.934 1.00 45.94 66 A 1 ATOM 548 C CD . GLN A 0 66 . 1.634 -5.280 -15.000 1.00 45.94 66 A 1 ATOM 549 N NE2 . GLN A 0 66 . 1.555 -6.562 -14.719 1.00 45.94 66 A 1 ATOM 550 O OE1 . GLN A 0 66 . 2.096 -4.947 -16.080 1.00 45.94 66 A 1 ATOM 551 N N . PRO A 0 67 . 1.872 0.410 -13.057 1.00 48.29 67 A 1 ATOM 552 C CA . PRO A 0 67 . 2.209 1.699 -13.642 1.00 48.29 67 A 1 ATOM 553 C C . PRO A 0 67 . 2.551 1.446 -15.111 1.00 48.29 67 A 1 ATOM 554 C CB . PRO A 0 67 . 3.395 2.239 -12.831 1.00 48.29 67 A 1 ATOM 555 O O . PRO A 0 67 . 3.284 0.496 -15.408 1.00 48.29 67 A 1 ATOM 556 C CG . PRO A 0 67 . 3.992 1.005 -12.158 1.00 48.29 67 A 1 ATOM 557 C CD . PRO A 0 67 . 2.796 0.077 -11.979 1.00 48.29 67 A 1 ATOM 558 N N . ARG A 0 68 . 1.981 2.238 -16.037 1.00 51.64 68 A 1 ATOM 559 C CA . ARG A 0 68 . 2.391 2.180 -17.447 1.00 51.64 68 A 1 ATOM 560 C C . ARG A 0 68 . 3.909 2.258 -17.428 1.00 51.64 68 A 1 ATOM 561 C CB . ARG A 0 68 . 1.820 3.347 -18.276 1.00 51.64 68 A 1 ATOM 562 O O . ARG A 0 68 . 4.442 3.276 -16.996 1.00 51.64 68 A 1 ATOM 563 C CG . ARG A 0 68 . 0.403 3.090 -18.807 1.00 51.64 68 A 1 ATOM 564 C CD . ARG A 0 68 . -0.031 4.242 -19.727 1.00 51.64 68 A 1 ATOM 565 N NE . ARG A 0 68 . -1.368 4.011 -20.308 1.00 51.64 68 A 1 ATOM 566 N NH1 . ARG A 0 68 . -1.419 5.829 -21.718 1.00 51.64 68 A 1 ATOM 567 N NH2 . ARG A 0 68 . -3.161 4.439 -21.649 1.00 51.64 68 A 1 ATOM 568 C CZ . ARG A 0 68 . -1.972 4.757 -21.219 1.00 51.64 68 A 1 ATOM 569 N N . LYS A 0 69 . 4.589 1.172 -17.815 1.00 55.46 69 A 1 ATOM 570 C CA . LYS A 0 69 . 6.049 1.147 -17.891 1.00 55.46 69 A 1 ATOM 571 C C . LYS A 0 69 . 6.440 2.283 -18.830 1.00 55.46 69 A 1 ATOM 572 C CB . LYS A 0 69 . 6.570 -0.216 -18.391 1.00 55.46 69 A 1 ATOM 573 O O . LYS A 0 69 . 6.272 2.155 -20.042 1.00 55.46 69 A 1 ATOM 574 C CG . LYS A 0 69 . 6.504 -1.322 -17.324 1.00 55.46 69 A 1 ATOM 575 C CD . LYS A 0 69 . 7.103 -2.636 -17.854 1.00 55.46 69 A 1 ATOM 576 C CE . LYS A 0 69 . 7.069 -3.715 -16.763 1.00 55.46 69 A 1 ATOM 577 N NZ . LYS A 0 69 . 7.625 -5.012 -17.231 1.00 55.46 69 A 1 ATOM 578 N N . LEU A 0 70 . 6.880 3.405 -18.262 1.00 61.35 70 A 1 ATOM 579 C CA . LEU A 0 70 . 7.504 4.488 -19.002 1.00 61.35 70 A 1 ATOM 580 C C . LEU A 0 70 . 8.776 3.872 -19.564 1.00 61.35 70 A 1 ATOM 581 C CB . LEU A 0 70 . 7.779 5.681 -18.064 1.00 61.35 70 A 1 ATOM 582 O O . LEU A 0 70 . 9.740 3.654 -18.836 1.00 61.35 70 A 1 ATOM 583 C CG . LEU A 0 70 . 6.536 6.545 -17.776 1.00 61.35 70 A 1 ATOM 584 C CD1 . LEU A 0 70 . 6.742 7.373 -16.509 1.00 61.35 70 A 1 ATOM 585 C CD2 . LEU A 0 70 . 6.244 7.508 -18.932 1.00 61.35 70 A 1 ATOM 586 N N . ARG A 0 71 . 8.728 3.459 -20.833 1.00 61.96 71 A 1 ATOM 587 C CA . ARG A 0 71 . 9.947 3.049 -21.517 1.00 61.96 71 A 1 ATOM 588 C C . ARG A 0 71 . 10.835 4.290 -21.611 1.00 61.96 71 A 1 ATOM 589 C CB . ARG A 0 71 . 9.680 2.451 -22.900 1.00 61.96 71 A 1 ATOM 590 O O . ARG A 0 71 . 10.298 5.352 -21.948 1.00 61.96 71 A 1 ATOM 591 C CG . ARG A 0 71 . 9.013 1.074 -22.806 1.00 61.96 71 A 1 ATOM 592 C CD . ARG A 0 71 . 9.001 0.423 -24.192 1.00 61.96 71 A 1 ATOM 593 N NE . ARG A 0 71 . 8.239 -0.841 -24.204 1.00 61.96 71 A 1 ATOM 594 N NH1 . ARG A 0 71 . 8.656 -1.392 -26.396 1.00 61.96 71 A 1 ATOM 595 N NH2 . ARG A 0 71 . 7.335 -2.701 -25.168 1.00 61.96 71 A 1 ATOM 596 C CZ . ARG A 0 71 . 8.083 -1.636 -25.250 1.00 61.96 71 A 1 ATOM 597 N N . PRO A 0 72 . 12.139 4.161 -21.340 1.00 68.24 72 A 1 ATOM 598 C CA . PRO A 0 72 . 13.065 5.256 -21.557 1.00 68.24 72 A 1 ATOM 599 C C . PRO A 0 72 . 12.951 5.728 -23.010 1.00 68.24 72 A 1 ATOM 600 C CB . PRO A 0 72 . 14.447 4.693 -21.246 1.00 68.24 72 A 1 ATOM 601 O O . PRO A 0 72 . 12.905 4.900 -23.926 1.00 68.24 72 A 1 ATOM 602 C CG . PRO A 0 72 . 14.238 3.350 -20.571 1.00 68.24 72 A 1 ATOM 603 C CD . PRO A 0 72 . 12.830 2.939 -20.958 1.00 68.24 72 A 1 ATOM 604 N N . LYS A 0 73 . 12.842 7.040 -23.220 1.00 73.10 73 A 1 ATOM 605 C CA . LYS A 0 73 . 12.721 7.643 -24.557 1.00 73.10 73 A 1 ATOM 606 C C . LYS A 0 73 . 14.078 8.053 -25.114 1.00 73.10 73 A 1 ATOM 607 C CB . LYS A 0 73 . 11.780 8.851 -24.510 1.00 73.10 73 A 1 ATOM 608 O O . LYS A 0 73 . 14.231 8.122 -26.332 1.00 73.10 73 A 1 ATOM 609 C CG . LYS A 0 73 . 10.317 8.445 -24.291 1.00 73.10 73 A 1 ATOM 610 C CD . LYS A 0 73 . 9.437 9.696 -24.360 1.00 73.10 73 A 1 ATOM 611 C CE . LYS A 0 73 . 7.964 9.346 -24.152 1.00 73.10 73 A 1 ATOM 612 N NZ . LYS A 0 73 . 7.133 10.573 -24.219 1.00 73.10 73 A 1 ATOM 613 N N . HIS A 0 74 . 15.046 8.300 -24.235 1.00 79.38 74 A 1 ATOM 614 C CA . HIS A 0 74 . 16.366 8.801 -24.595 1.00 79.38 74 A 1 ATOM 615 C C . HIS A 0 74 . 17.475 7.786 -24.274 1.00 79.38 74 A 1 ATOM 616 C CB . HIS A 0 74 . 16.561 10.168 -23.933 1.00 79.38 74 A 1 ATOM 617 O O . HIS A 0 74 . 17.329 6.913 -23.415 1.00 79.38 74 A 1 ATOM 618 C CG . HIS A 0 74 . 15.521 11.183 -24.324 1.00 79.38 74 A 1 ATOM 619 C CD2 . HIS A 0 74 . 14.510 11.672 -23.539 1.00 79.38 74 A 1 ATOM 620 N ND1 . HIS A 0 74 . 15.416 11.790 -25.553 1.00 79.38 74 A 1 ATOM 621 C CE1 . HIS A 0 74 . 14.368 12.626 -25.514 1.00 79.38 74 A 1 ATOM 622 N NE2 . HIS A 0 74 . 13.766 12.572 -24.317 1.00 79.38 74 A 1 ATOM 623 N N . ALA A 0 75 . 18.583 7.848 -25.019 1.00 79.44 75 A 1 ATOM 624 C CA . ALA A 0 75 . 19.664 6.860 -24.942 1.00 79.44 75 A 1 ATOM 625 C C . ALA A 0 75 . 20.382 6.852 -23.578 1.00 79.44 75 A 1 ATOM 626 C CB . ALA A 0 75 . 20.649 7.144 -26.083 1.00 79.44 75 A 1 ATOM 627 O O . ALA A 0 75 . 20.806 5.797 -23.104 1.00 79.44 75 A 1 ATOM 628 N N . ASP A 0 76 . 20.476 8.011 -22.935 1.00 80.02 76 A 1 ATOM 629 C CA . ASP A 0 76 . 20.980 8.199 -21.575 1.00 80.02 76 A 1 ATOM 630 C C . ASP A 0 76 . 20.085 7.508 -20.537 1.00 80.02 76 A 1 ATOM 631 C CB . ASP A 0 76 . 21.090 9.709 -21.288 1.00 80.02 76 A 1 ATOM 632 O O . ASP A 0 76 . 20.587 6.814 -19.653 1.00 80.02 76 A 1 ATOM 633 C CG . ASP A 0 76 . 19.739 10.436 -21.329 1.00 80.02 76 A 1 ATOM 634 O OD1 . ASP A 0 76 . 18.974 10.148 -22.277 1.00 80.02 76 A 1 ATOM 635 O OD2 . ASP A 0 76 . 19.471 11.221 -20.400 1.00 80.02 76 A 1 ATOM 636 N N . GLU A 0 77 . 18.763 7.609 -20.682 1.00 76.18 77 A 1 ATOM 637 C CA . GLU A 0 77 . 17.810 6.926 -19.806 1.00 76.18 77 A 1 ATOM 638 C C . GLU A 0 77 . 17.895 5.396 -19.972 1.00 76.18 77 A 1 ATOM 639 C CB . GLU A 0 77 . 16.381 7.404 -20.086 1.00 76.18 77 A 1 ATOM 640 O O . GLU A 0 77 . 17.867 4.664 -18.980 1.00 76.18 77 A 1 ATOM 641 C CG . GLU A 0 77 . 16.085 8.900 -19.950 1.00 76.18 77 A 1 ATOM 642 C CD . GLU A 0 77 . 14.618 9.212 -20.314 1.00 76.18 77 A 1 ATOM 643 O OE1 . GLU A 0 77 . 14.082 10.214 -19.797 1.00 76.18 77 A 1 ATOM 644 O OE2 . GLU A 0 77 . 14.007 8.448 -21.109 1.00 76.18 77 A 1 ATOM 645 N N . ILE A 0 78 . 18.081 4.899 -21.206 1.00 77.48 78 A 1 ATOM 646 C CA . ILE A 0 78 . 18.317 3.468 -21.484 1.00 77.48 78 A 1 ATOM 647 C C . ILE A 0 78 . 19.615 2.998 -20.821 1.00 77.48 78 A 1 ATOM 648 C CB . ILE A 0 78 . 18.366 3.177 -23.007 1.00 77.48 78 A 1 ATOM 649 O O . ILE A 0 78 . 19.654 1.918 -20.225 1.00 77.48 78 A 1 ATOM 650 C CG1 . ILE A 0 78 . 17.012 3.491 -23.674 1.00 77.48 78 A 1 ATOM 651 C CG2 . ILE A 0 78 . 18.758 1.708 -23.285 1.00 77.48 78 A 1 ATOM 652 C CD1 . ILE A 0 78 . 16.995 3.378 -25.203 1.00 77.48 78 A 1 ATOM 653 N N . LEU A 0 79 . 20.689 3.784 -20.933 1.00 77.06 79 A 1 ATOM 654 C CA . LEU A 0 79 . 21.974 3.462 -20.319 1.00 77.06 79 A 1 ATOM 655 C C . LEU A 0 79 . 21.856 3.432 -18.792 1.00 77.06 79 A 1 ATOM 656 C CB . LEU A 0 79 . 23.030 4.474 -20.796 1.00 77.06 79 A 1 ATOM 657 O O . LEU A 0 79 . 22.329 2.488 -18.162 1.00 77.06 79 A 1 ATOM 658 C CG . LEU A 0 79 . 24.449 4.180 -20.277 1.00 77.06 79 A 1 ATOM 659 C CD1 . LEU A 0 79 . 25.003 2.864 -20.833 1.00 77.06 79 A 1 ATOM 660 C CD2 . LEU A 0 79 . 25.390 5.311 -20.683 1.00 77.06 79 A 1 ATOM 661 N N . LYS A 0 80 . 21.164 4.412 -18.204 1.00 74.20 80 A 1 ATOM 662 C CA . LYS A 0 80 . 20.907 4.490 -16.763 1.00 74.20 80 A 1 ATOM 663 C C . LYS A 0 80 . 20.083 3.300 -16.269 1.00 74.20 80 A 1 ATOM 664 C CB . LYS A 0 80 . 20.234 5.838 -16.474 1.00 74.20 80 A 1 ATOM 665 O O . LYS A 0 80 . 20.422 2.718 -15.241 1.00 74.20 80 A 1 ATOM 666 C CG . LYS A 0 80 . 20.227 6.192 -14.981 1.00 74.20 80 A 1 ATOM 667 C CD . LYS A 0 80 . 19.657 7.604 -14.795 1.00 74.20 80 A 1 ATOM 668 C CE . LYS A 0 80 . 19.722 8.036 -13.327 1.00 74.20 80 A 1 ATOM 669 N NZ . LYS A 0 80 . 19.211 9.419 -13.158 1.00 74.20 80 A 1 ATOM 670 N N . GLU A 0 81 . 19.060 2.880 -17.017 1.00 71.26 81 A 1 ATOM 671 C CA . GLU A 0 81 . 18.276 1.685 -16.684 1.00 71.26 81 A 1 ATOM 672 C C . GLU A 0 81 . 19.113 0.398 -16.803 1.00 71.26 81 A 1 ATOM 673 C CB . GLU A 0 81 . 17.001 1.613 -17.548 1.00 71.26 81 A 1 ATOM 674 O O . GLU A 0 81 . 19.039 -0.469 -15.929 1.00 71.26 81 A 1 ATOM 675 C CG . GLU A 0 81 . 16.017 0.588 -16.954 1.00 71.26 81 A 1 ATOM 676 C CD . GLU A 0 81 . 14.719 0.373 -17.747 1.00 71.26 81 A 1 ATOM 677 O OE1 . GLU A 0 81 . 13.953 -0.532 -17.326 1.00 71.26 81 A 1 ATOM 678 O OE2 . GLU A 0 81 . 14.532 0.967 -18.825 1.00 71.26 81 A 1 ATOM 679 N N . LYS A 0 82 . 19.959 0.270 -17.837 1.00 74.13 82 A 1 ATOM 680 C CA . LYS A 0 82 . 20.890 -0.866 -17.981 1.00 74.13 82 A 1 ATOM 681 C C . LYS A 0 82 . 21.890 -0.936 -16.829 1.00 74.13 82 A 1 ATOM 682 C CB . LYS A 0 82 . 21.648 -0.795 -19.315 1.00 74.13 82 A 1 ATOM 683 O O . LYS A 0 82 . 22.072 -2.013 -16.265 1.00 74.13 82 A 1 ATOM 684 C CG . LYS A 0 82 . 20.821 -1.303 -20.503 1.00 74.13 82 A 1 ATOM 685 C CD . LYS A 0 82 . 21.677 -1.245 -21.775 1.00 74.13 82 A 1 ATOM 686 C CE . LYS A 0 82 . 20.902 -1.770 -22.987 1.00 74.13 82 A 1 ATOM 687 N NZ . LYS A 0 82 . 21.736 -1.729 -24.217 1.00 74.13 82 A 1 ATOM 688 N N . LEU A 0 83 . 22.495 0.195 -16.463 1.00 73.18 83 A 1 ATOM 689 C CA . LEU A 0 83 . 23.426 0.285 -15.339 1.00 73.18 83 A 1 ATOM 690 C C . LEU A 0 83 . 22.733 -0.102 -14.031 1.00 73.18 83 A 1 ATOM 691 C CB . LEU A 0 83 . 24.029 1.697 -15.261 1.00 73.18 83 A 1 ATOM 692 O O . LEU A 0 83 . 23.236 -0.970 -13.323 1.00 73.18 83 A 1 ATOM 693 C CG . LEU A 0 83 . 25.086 1.986 -16.343 1.00 73.18 83 A 1 ATOM 694 C CD1 . LEU A 0 83 . 25.434 3.474 -16.325 1.00 73.18 83 A 1 ATOM 695 C CD2 . LEU A 0 83 . 26.375 1.189 -16.123 1.00 73.18 83 A 1 ATOM 696 N N . HIS A 0 84 . 21.534 0.427 -13.777 1.00 69.10 84 A 1 ATOM 697 C CA . HIS A 0 84 . 20.732 0.076 -12.603 1.00 69.10 84 A 1 ATOM 698 C C . HIS A 0 84 . 20.402 -1.426 -12.541 1.00 69.10 84 A 1 ATOM 699 C CB . HIS A 0 84 . 19.451 0.918 -12.618 1.00 69.10 84 A 1 ATOM 700 O O . HIS A 0 84 . 20.471 -2.043 -11.479 1.00 69.10 84 A 1 ATOM 701 C CG . HIS A 0 84 . 18.606 0.746 -11.381 1.00 69.10 84 A 1 ATOM 702 C CD2 . HIS A 0 84 . 18.367 1.696 -10.426 1.00 69.10 84 A 1 ATOM 703 N ND1 . HIS A 0 84 . 17.960 -0.402 -10.978 1.00 69.10 84 A 1 ATOM 704 C CE1 . HIS A 0 84 . 17.350 -0.149 -9.810 1.00 69.10 84 A 1 ATOM 705 N NE2 . HIS A 0 84 . 17.562 1.121 -9.440 1.00 69.10 84 A 1 ATOM 706 N N . ARG A 0 85 . 20.044 -2.052 -13.671 1.00 64.04 85 A 1 ATOM 707 C CA . ARG A 0 85 . 19.800 -3.506 -13.729 1.00 64.04 85 A 1 ATOM 708 C C . ARG A 0 85 . 21.071 -4.322 -13.507 1.00 64.04 85 A 1 ATOM 709 C CB . ARG A 0 85 . 19.169 -3.896 -15.069 1.00 64.04 85 A 1 ATOM 710 O O . ARG A 0 85 . 20.990 -5.413 -12.958 1.00 64.04 85 A 1 ATOM 711 C CG . ARG A 0 85 . 17.699 -3.477 -15.176 1.00 64.04 85 A 1 ATOM 712 C CD . ARG A 0 85 . 17.151 -3.976 -16.513 1.00 64.04 85 A 1 ATOM 713 N NE . ARG A 0 85 . 15.811 -3.438 -16.800 1.00 64.04 85 A 1 ATOM 714 N NH1 . ARG A 0 85 . 15.401 -4.720 -18.655 1.00 64.04 85 A 1 ATOM 715 N NH2 . ARG A 0 85 . 13.954 -3.128 -18.071 1.00 64.04 85 A 1 ATOM 716 C CZ . ARG A 0 85 . 15.058 -3.767 -17.830 1.00 64.04 85 A 1 ATOM 717 N N . SER A 0 86 . 22.224 -3.817 -13.942 1.00 62.07 86 A 1 ATOM 718 C CA . SER A 0 86 . 23.514 -4.483 -13.735 1.00 62.07 86 A 1 ATOM 719 C C . SER A 0 86 . 24.060 -4.325 -12.313 1.00 62.07 86 A 1 ATOM 720 C CB . SER A 0 86 . 24.532 -4.012 -14.776 1.00 62.07 86 A 1 ATOM 721 O O . SER A 0 86 . 24.749 -5.222 -11.841 1.00 62.07 86 A 1 ATOM 722 O OG . SER A 0 86 . 24.939 -2.671 -14.591 1.00 62.07 86 A 1 ATOM 723 N N . SER A 0 87 . 23.732 -3.222 -11.628 1.00 61.08 87 A 1 ATOM 724 C CA . SER A 0 87 . 24.148 -2.947 -10.248 1.00 61.08 87 A 1 ATOM 725 C C . SER A 0 87 . 23.228 -3.571 -9.202 1.00 61.08 87 A 1 ATOM 726 C CB . SER A 0 87 . 24.228 -1.434 -10.013 1.00 61.08 87 A 1 ATOM 727 O O . SER A 0 87 . 23.607 -3.665 -8.037 1.00 61.08 87 A 1 ATOM 728 O OG . SER A 0 87 . 22.951 -0.825 -10.103 1.00 61.08 87 A 1 ATOM 729 N N . ALA A 0 88 . 22.011 -3.967 -9.586 1.00 55.83 88 A 1 ATOM 730 C CA . ALA A 0 88 . 21.120 -4.692 -8.697 1.00 55.83 88 A 1 ATOM 731 C C . ALA A 0 88 . 21.781 -6.029 -8.309 1.00 55.83 88 A 1 ATOM 732 C CB . ALA A 0 88 . 19.760 -4.887 -9.375 1.00 55.83 88 A 1 ATOM 733 O O . ALA A 0 88 . 22.166 -6.795 -9.200 1.00 55.83 88 A 1 ATOM 734 N N . PRO A 0 89 . 21.940 -6.328 -7.007 1.00 52.54 89 A 1 ATOM 735 C CA . PRO A 0 89 . 22.530 -7.585 -6.580 1.00 52.54 89 A 1 ATOM 736 C C . PRO A 0 89 . 21.674 -8.736 -7.115 1.00 52.54 89 A 1 ATOM 737 C CB . PRO A 0 89 . 22.581 -7.524 -5.048 1.00 52.54 89 A 1 ATOM 738 O O . PRO A 0 89 . 20.505 -8.868 -6.754 1.00 52.54 89 A 1 ATOM 739 C CG . PRO A 0 89 . 21.507 -6.502 -4.678 1.00 52.54 89 A 1 ATOM 740 C CD . PRO A 0 89 . 21.508 -5.542 -5.863 1.00 52.54 89 A 1 ATOM 741 N N . ARG A 0 90 . 22.261 -9.579 -7.974 1.00 49.69 90 A 1 ATOM 742 C CA . ARG A 0 90 . 21.675 -10.869 -8.363 1.00 49.69 90 A 1 ATOM 743 C C . ARG A 0 90 . 21.704 -11.767 -7.127 1.00 49.69 90 A 1 ATOM 744 C CB . ARG A 0 90 . 22.443 -11.499 -9.538 1.00 49.69 90 A 1 ATOM 745 O O . ARG A 0 90 . 22.679 -12.473 -6.893 1.00 49.69 90 A 1 ATOM 746 C CG . ARG A 0 90 . 22.328 -10.710 -10.849 1.00 49.69 90 A 1 ATOM 747 C CD . ARG A 0 90 . 22.998 -11.512 -11.972 1.00 49.69 90 A 1 ATOM 748 N NE . ARG A 0 90 . 23.125 -10.726 -13.212 1.00 49.69 90 A 1 ATOM 749 N NH1 . ARG A 0 90 . 23.977 -12.405 -14.530 1.00 49.69 90 A 1 ATOM 750 N NH2 . ARG A 0 90 . 23.741 -10.350 -15.371 1.00 49.69 90 A 1 ATOM 751 C CZ . ARG A 0 90 . 23.610 -11.164 -14.362 1.00 49.69 90 A 1 ATOM 752 N N . GLY A 0 91 . 20.695 -11.659 -6.269 1.00 41.35 91 A 1 ATOM 753 C CA . GLY A 0 91 . 20.724 -12.263 -4.941 1.00 41.35 91 A 1 ATOM 754 C C . GLY A 0 91 . 19.327 -12.487 -4.379 1.00 41.35 91 A 1 ATOM 755 O O . GLY A 0 91 . 18.540 -11.555 -4.268 1.00 41.35 91 A 1 ATOM 756 N N . ILE A 0 92 . 19.039 -13.745 -4.026 1.00 44.43 92 A 1 ATOM 757 C CA . ILE A 0 92 . 17.830 -14.290 -3.370 1.00 44.43 92 A 1 ATOM 758 C C . ILE A 0 92 . 16.520 -14.193 -4.184 1.00 44.43 92 A 1 ATOM 759 C CB . ILE A 0 92 . 17.692 -13.757 -1.917 1.00 44.43 92 A 1 ATOM 760 O O . ILE A 0 92 . 15.744 -15.147 -4.190 1.00 44.43 92 A 1 ATOM 761 C CG1 . ILE A 0 92 . 19.030 -13.876 -1.137 1.00 44.43 92 A 1 ATOM 762 C CG2 . ILE A 0 92 . 16.574 -14.519 -1.176 1.00 44.43 92 A 1 ATOM 763 C CD1 . ILE A 0 92 . 19.002 -13.287 0.278 1.00 44.43 92 A 1 ATOM 764 N N . TYR A 0 93 . 16.287 -13.102 -4.911 1.00 43.73 93 A 1 ATOM 765 C CA . TYR A 0 93 . 15.005 -12.793 -5.555 1.00 43.73 93 A 1 ATOM 766 C C . TYR A 0 93 . 14.832 -13.336 -6.985 1.00 43.73 93 A 1 ATOM 767 C CB . TYR A 0 93 . 14.821 -11.276 -5.502 1.00 43.73 93 A 1 ATOM 768 O O . TYR A 0 93 . 13.695 -13.448 -7.443 1.00 43.73 93 A 1 ATOM 769 C CG . TYR A 0 93 . 14.723 -10.721 -4.096 1.00 43.73 93 A 1 ATOM 770 C CD1 . TYR A 0 93 . 13.565 -10.948 -3.326 1.00 43.73 93 A 1 ATOM 771 C CD2 . TYR A 0 93 . 15.801 -9.999 -3.551 1.00 43.73 93 A 1 ATOM 772 C CE1 . TYR A 0 93 . 13.492 -10.465 -2.006 1.00 43.73 93 A 1 ATOM 773 C CE2 . TYR A 0 93 . 15.733 -9.515 -2.232 1.00 43.73 93 A 1 ATOM 774 O OH . TYR A 0 93 . 14.498 -9.284 -0.184 1.00 43.73 93 A 1 ATOM 775 C CZ . TYR A 0 93 . 14.577 -9.749 -1.458 1.00 43.73 93 A 1 ATOM 776 N N . ASP A 0 94 . 15.929 -13.726 -7.644 1.00 50.40 94 A 1 ATOM 777 C CA . ASP A 0 94 . 15.965 -14.272 -9.015 1.00 50.40 94 A 1 ATOM 778 C C . ASP A 0 94 . 16.091 -15.811 -9.050 1.00 50.40 94 A 1 ATOM 779 C CB . ASP A 0 94 . 17.105 -13.606 -9.809 1.00 50.40 94 A 1 ATOM 780 O O . ASP A 0 94 . 16.394 -16.402 -10.086 1.00 50.40 94 A 1 ATOM 781 C CG . ASP A 0 94 . 16.887 -12.116 -10.079 1.00 50.40 94 A 1 ATOM 782 O OD1 . ASP A 0 94 . 15.720 -11.713 -10.281 1.00 50.40 94 A 1 ATOM 783 O OD2 . ASP A 0 94 . 17.912 -11.397 -10.106 1.00 50.40 94 A 1 ATOM 784 N N . ASN A 0 95 . 15.891 -16.485 -7.911 1.00 48.01 95 A 1 ATOM 785 C CA . ASN A 0 95 . 15.968 -17.942 -7.837 1.00 48.01 95 A 1 ATOM 786 C C . ASN A 0 95 . 14.709 -18.585 -8.470 1.00 48.01 95 A 1 ATOM 787 C CB . ASN A 0 95 . 16.187 -18.365 -6.370 1.00 48.01 95 A 1 ATOM 788 O O . ASN A 0 95 . 13.620 -18.431 -7.904 1.00 48.01 95 A 1 ATOM 789 C CG . ASN A 0 95 . 16.412 -19.860 -6.219 1.00 48.01 95 A 1 ATOM 790 N ND2 . ASN A 0 95 . 16.764 -20.323 -5.044 1.00 48.01 95 A 1 ATOM 791 O OD1 . ASN A 0 95 . 16.275 -20.635 -7.145 1.00 48.01 95 A 1 ATOM 792 N N . PRO A 0 96 . 14.824 -19.360 -9.571 1.00 54.61 96 A 1 ATOM 793 C CA . PRO A 0 96 . 13.681 -20.041 -10.192 1.00 54.61 96 A 1 ATOM 794 C C . PRO A 0 96 . 13.000 -21.055 -9.258 1.00 54.61 96 A 1 ATOM 795 C CB . PRO A 0 96 . 14.238 -20.709 -11.456 1.00 54.61 96 A 1 ATOM 796 O O . PRO A 0 96 . 11.843 -21.408 -9.470 1.00 54.61 96 A 1 ATOM 797 C CG . PRO A 0 96 . 15.725 -20.888 -11.162 1.00 54.61 96 A 1 ATOM 798 C CD . PRO A 0 96 . 16.053 -19.686 -10.283 1.00 54.61 96 A 1 ATOM 799 N N . TYR A 0 97 . 13.682 -21.480 -8.193 1.00 52.63 97 A 1 ATOM 800 C CA . TYR A 0 97 . 13.174 -22.426 -7.204 1.00 52.63 97 A 1 ATOM 801 C C . TYR A 0 97 . 12.461 -21.763 -6.012 1.00 52.63 97 A 1 ATOM 802 C CB . TYR A 0 97 . 14.329 -23.338 -6.761 1.00 52.63 97 A 1 ATOM 803 O O . TYR A 0 97 . 11.998 -22.475 -5.123 1.00 52.63 97 A 1 ATOM 804 C CG . TYR A 0 97 . 15.006 -24.062 -7.913 1.00 52.63 97 A 1 ATOM 805 C CD1 . TYR A 0 97 . 14.353 -25.148 -8.525 1.00 52.63 97 A 1 ATOM 806 C CD2 . TYR A 0 97 . 16.268 -23.649 -8.388 1.00 52.63 97 A 1 ATOM 807 C CE1 . TYR A 0 97 . 14.954 -25.814 -9.609 1.00 52.63 97 A 1 ATOM 808 C CE2 . TYR A 0 97 . 16.870 -24.307 -9.477 1.00 52.63 97 A 1 ATOM 809 O OH . TYR A 0 97 . 16.782 -26.044 -11.135 1.00 52.63 97 A 1 ATOM 810 C CZ . TYR A 0 97 . 16.210 -25.394 -10.089 1.00 52.63 97 A 1 ATOM 811 N N . ASN A 0 98 . 12.355 -20.424 -5.948 1.00 49.05 98 A 1 ATOM 812 C CA . ASN A 0 98 . 11.700 -19.748 -4.817 1.00 49.05 98 A 1 ATOM 813 C C . ASN A 0 98 . 10.864 -18.499 -5.194 1.00 49.05 98 A 1 ATOM 814 C CB . ASN A 0 98 . 12.751 -19.498 -3.719 1.00 49.05 98 A 1 ATOM 815 O O . ASN A 0 98 . 11.106 -17.401 -4.686 1.00 49.05 98 A 1 ATOM 816 C CG . ASN A 0 98 . 12.138 -19.517 -2.330 1.00 49.05 98 A 1 ATOM 817 N ND2 . ASN A 0 98 . 12.959 -19.638 -1.314 1.00 49.05 98 A 1 ATOM 818 O OD1 . ASN A 0 98 . 10.934 -19.443 -2.126 1.00 49.05 98 A 1 ATOM 819 N N . PRO A 0 99 . 9.825 -18.640 -6.040 1.00 50.58 99 A 1 ATOM 820 C CA . PRO A 0 99 . 8.989 -17.517 -6.487 1.00 50.58 99 A 1 ATOM 821 C C . PRO A 0 99 . 8.117 -16.886 -5.376 1.00 50.58 99 A 1 ATOM 822 C CB . PRO A 0 99 . 8.148 -18.098 -7.634 1.00 50.58 99 A 1 ATOM 823 O O . PRO A 0 99 . 7.483 -15.854 -5.591 1.00 50.58 99 A 1 ATOM 824 C CG . PRO A 0 99 . 8.048 -19.589 -7.306 1.00 50.58 99 A 1 ATOM 825 C CD . PRO A 0 99 . 9.396 -19.886 -6.663 1.00 50.58 99 A 1 ATOM 826 N N . GLY A 0 100 . 8.053 -17.489 -4.180 1.00 44.39 100 A 1 ATOM 827 C CA . GLY A 0 100 . 7.115 -17.121 -3.110 1.00 44.39 100 A 1 ATOM 828 C C . GLY A 0 100 . 7.619 -16.112 -2.069 1.00 44.39 100 A 1 ATOM 829 O O . GLY A 0 100 . 6.800 -15.542 -1.345 1.00 44.39 100 A 1 ATOM 830 N N . LEU A 0 101 . 8.930 -15.853 -1.987 1.00 45.95 101 A 1 ATOM 831 C CA . LEU A 0 101 . 9.507 -14.932 -0.988 1.00 45.95 101 A 1 ATOM 832 C C . LEU A 0 101 . 9.056 -13.473 -1.184 1.00 45.95 101 A 1 ATOM 833 C CB . LEU A 0 101 . 11.042 -15.061 -1.016 1.00 45.95 101 A 1 ATOM 834 O O . LEU A 0 101 . 8.869 -12.746 -0.209 1.00 45.95 101 A 1 ATOM 835 C CG . LEU A 0 101 . 11.563 -16.119 -0.025 1.00 45.95 101 A 1 ATOM 836 C CD1 . LEU A 0 101 . 12.950 -16.590 -0.440 1.00 45.95 101 A 1 ATOM 837 C CD2 . LEU A 0 101 . 11.682 -15.546 1.390 1.00 45.95 101 A 1 ATOM 838 N N . TRP A 0 102 . 8.770 -13.083 -2.428 1.00 44.44 102 A 1 ATOM 839 C CA . TRP A 0 102 . 8.323 -11.739 -2.811 1.00 44.44 102 A 1 ATOM 840 C C . TRP A 0 102 . 6.997 -11.301 -2.169 1.00 44.44 102 A 1 ATOM 841 C CB . TRP A 0 102 . 8.195 -11.713 -4.338 1.00 44.44 102 A 1 ATOM 842 O O . TRP A 0 102 . 6.786 -10.111 -1.934 1.00 44.44 102 A 1 ATOM 843 C CG . TRP A 0 102 . 9.487 -11.619 -5.088 1.00 44.44 102 A 1 ATOM 844 C CD1 . TRP A 0 102 . 10.342 -12.630 -5.379 1.00 44.44 102 A 1 ATOM 845 C CD2 . TRP A 0 102 . 10.051 -10.428 -5.716 1.00 44.44 102 A 1 ATOM 846 C CE2 . TRP A 0 102 . 11.236 -10.802 -6.413 1.00 44.44 102 A 1 ATOM 847 C CE3 . TRP A 0 102 . 9.652 -9.074 -5.797 1.00 44.44 102 A 1 ATOM 848 N NE1 . TRP A 0 102 . 11.378 -12.149 -6.160 1.00 44.44 102 A 1 ATOM 849 C CH2 . TRP A 0 102 . 11.565 -8.543 -7.220 1.00 44.44 102 A 1 ATOM 850 C CZ2 . TRP A 0 102 . 11.969 -9.886 -7.180 1.00 44.44 102 A 1 ATOM 851 C CZ3 . TRP A 0 102 . 10.408 -8.140 -6.531 1.00 44.44 102 A 1 ATOM 852 N N . ARG A 0 103 . 6.092 -12.243 -1.865 1.00 44.90 103 A 1 ATOM 853 C CA . ARG A 0 103 . 4.787 -11.921 -1.255 1.00 44.90 103 A 1 ATOM 854 C C . ARG A 0 103 . 4.836 -11.788 0.264 1.00 44.90 103 A 1 ATOM 855 C CB . ARG A 0 103 . 3.719 -12.946 -1.663 1.00 44.90 103 A 1 ATOM 856 O O . ARG A 0 103 . 3.906 -11.234 0.834 1.00 44.90 103 A 1 ATOM 857 C CG . ARG A 0 103 . 3.247 -12.759 -3.109 1.00 44.90 103 A 1 ATOM 858 C CD . ARG A 0 103 . 2.026 -13.652 -3.364 1.00 44.90 103 A 1 ATOM 859 N NE . ARG A 0 103 . 1.609 -13.616 -4.777 1.00 44.90 103 A 1 ATOM 860 N NH1 . ARG A 0 103 . -0.195 -15.027 -4.584 1.00 44.90 103 A 1 ATOM 861 N NH2 . ARG A 0 103 . 0.380 -14.238 -6.591 1.00 44.90 103 A 1 ATOM 862 C CZ . ARG A 0 103 . 0.602 -14.289 -5.308 1.00 44.90 103 A 1 ATOM 863 N N . ARG A 0 104 . 5.872 -12.315 0.925 1.00 43.86 104 A 1 ATOM 864 C CA . ARG A 0 104 . 5.965 -12.301 2.396 1.00 43.86 104 A 1 ATOM 865 C C . ARG A 0 104 . 6.783 -11.126 2.924 1.00 43.86 104 A 1 ATOM 866 C CB . ARG A 0 104 . 6.468 -13.650 2.928 1.00 43.86 104 A 1 ATOM 867 O O . ARG A 0 104 . 6.423 -10.591 3.964 1.00 43.86 104 A 1 ATOM 868 C CG . ARG A 0 104 . 5.421 -14.763 2.755 1.00 43.86 104 A 1 ATOM 869 C CD . ARG A 0 104 . 5.893 -16.051 3.439 1.00 43.86 104 A 1 ATOM 870 N NE . ARG A 0 104 . 4.948 -17.167 3.227 1.00 43.86 104 A 1 ATOM 871 N NH1 . ARG A 0 104 . 6.043 -18.722 4.516 1.00 43.86 104 A 1 ATOM 872 N NH2 . ARG A 0 104 . 4.172 -19.301 3.453 1.00 43.86 104 A 1 ATOM 873 C CZ . ARG A 0 104 . 5.058 -18.386 3.731 1.00 43.86 104 A 1 ATOM 874 N N . SER A 0 105 . 7.818 -10.681 2.208 1.00 46.08 105 A 1 ATOM 875 C CA . SER A 0 105 . 8.605 -9.511 2.626 1.00 46.08 105 A 1 ATOM 876 C C . SER A 0 105 . 7.812 -8.209 2.481 1.00 46.08 105 A 1 ATOM 877 C CB . SER A 0 105 . 9.933 -9.451 1.865 1.00 46.08 105 A 1 ATOM 878 O O . SER A 0 105 . 7.700 -7.452 3.436 1.00 46.08 105 A 1 ATOM 879 O OG . SER A 0 105 . 9.720 -9.496 0.465 1.00 46.08 105 A 1 ATOM 880 N N . THR A 0 106 . 7.143 -7.998 1.346 1.00 46.51 106 A 1 ATOM 881 C CA . THR A 0 106 . 6.402 -6.755 1.048 1.00 46.51 106 A 1 ATOM 882 C C . THR A 0 106 . 5.181 -6.495 1.940 1.00 46.51 106 A 1 ATOM 883 C CB . THR A 0 106 . 5.974 -6.724 -0.427 1.00 46.51 106 A 1 ATOM 884 O O . THR A 0 106 . 4.751 -5.353 2.057 1.00 46.51 106 A 1 ATOM 885 C CG2 . THR A 0 106 . 7.177 -6.566 -1.356 1.00 46.51 106 A 1 ATOM 886 O OG1 . THR A 0 106 . 5.322 -7.923 -0.798 1.00 46.51 106 A 1 ATOM 887 N N . VAL A 0 107 . 4.642 -7.524 2.602 1.00 44.25 107 A 1 ATOM 888 C CA . VAL A 0 107 . 3.506 -7.400 3.536 1.00 44.25 107 A 1 ATOM 889 C C . VAL A 0 107 . 3.965 -7.090 4.967 1.00 44.25 107 A 1 ATOM 890 C CB . VAL A 0 107 . 2.633 -8.672 3.465 1.00 44.25 107 A 1 ATOM 891 O O . VAL A 0 107 . 3.203 -6.516 5.738 1.00 44.25 107 A 1 ATOM 892 C CG1 . VAL A 0 107 . 1.458 -8.678 4.453 1.00 44.25 107 A 1 ATOM 893 C CG2 . VAL A 0 107 . 2.030 -8.827 2.060 1.00 44.25 107 A 1 ATOM 894 N N . ILE A 0 108 . 5.207 -7.434 5.326 1.00 46.29 108 A 1 ATOM 895 C CA . ILE A 0 108 . 5.733 -7.293 6.694 1.00 46.29 108 A 1 ATOM 896 C C . ILE A 0 108 . 6.618 -6.040 6.835 1.00 46.29 108 A 1 ATOM 897 C CB . ILE A 0 108 . 6.428 -8.612 7.123 1.00 46.29 108 A 1 ATOM 898 O O . ILE A 0 108 . 6.677 -5.462 7.915 1.00 46.29 108 A 1 ATOM 899 C CG1 . ILE A 0 108 . 5.401 -9.775 7.124 1.00 46.29 108 A 1 ATOM 900 C CG2 . ILE A 0 108 . 7.083 -8.487 8.512 1.00 46.29 108 A 1 ATOM 901 C CD1 . ILE A 0 108 . 6.000 -11.163 7.390 1.00 46.29 108 A 1 ATOM 902 N N . THR A 0 109 . 7.263 -5.567 5.761 1.00 42.71 109 A 1 ATOM 903 C CA . THR A 0 109 . 8.225 -4.445 5.817 1.00 42.71 109 A 1 ATOM 904 C C . THR A 0 109 . 7.712 -3.116 5.261 1.00 42.71 109 A 1 ATOM 905 C CB . THR A 0 109 . 9.567 -4.811 5.164 1.00 42.71 109 A 1 ATOM 906 O O . THR A 0 109 . 8.516 -2.224 5.019 1.00 42.71 109 A 1 ATOM 907 C CG2 . THR A 0 109 . 10.266 -5.956 5.888 1.00 42.71 109 A 1 ATOM 908 O OG1 . THR A 0 109 . 9.378 -5.183 3.819 1.00 42.71 109 A 1 ATOM 909 N N . ALA A 0 110 . 6.404 -2.952 5.059 1.00 38.19 110 A 1 ATOM 910 C CA . ALA A 0 110 . 5.828 -1.678 4.623 1.00 38.19 110 A 1 ATOM 911 C C . ALA A 0 110 . 5.038 -0.928 5.722 1.00 38.19 110 A 1 ATOM 912 C CB . ALA A 0 110 . 5.048 -1.905 3.320 1.00 38.19 110 A 1 ATOM 913 O O . ALA A 0 110 . 3.892 -0.545 5.486 1.00 38.19 110 A 1 ATOM 914 N N . PRO A 0 111 . 5.605 -0.653 6.912 1.00 31.60 111 A 1 ATOM 915 C CA . PRO A 0 111 . 5.387 0.617 7.578 1.00 31.60 111 A 1 ATOM 916 C C . PRO A 0 111 . 6.538 1.556 7.158 1.00 31.60 111 A 1 ATOM 917 C CB . PRO A 0 111 . 5.376 0.247 9.062 1.00 31.60 111 A 1 ATOM 918 O O . PRO A 0 111 . 7.701 1.208 7.322 1.00 31.60 111 A 1 ATOM 919 C CG . PRO A 0 111 . 6.391 -0.898 9.163 1.00 31.60 111 A 1 ATOM 920 C CD . PRO A 0 111 . 6.492 -1.467 7.740 1.00 31.60 111 A 1 ATOM 921 N N . TYR A 0 112 . 6.226 2.739 6.624 1.00 34.77 112 A 1 ATOM 922 C CA . TYR A 0 112 . 7.181 3.808 6.257 1.00 34.77 112 A 1 ATOM 923 C C . TYR A 0 112 . 7.924 3.674 4.905 1.00 34.77 112 A 1 ATOM 924 C CB . TYR A 0 112 . 8.143 4.139 7.424 1.00 34.77 112 A 1 ATOM 925 O O . TYR A 0 112 . 9.133 3.473 4.869 1.00 34.77 112 A 1 ATOM 926 C CG . TYR A 0 112 . 7.502 4.210 8.797 1.00 34.77 112 A 1 ATOM 927 C CD1 . TYR A 0 112 . 6.781 5.358 9.169 1.00 34.77 112 A 1 ATOM 928 C CD2 . TYR A 0 112 . 7.624 3.134 9.700 1.00 34.77 112 A 1 ATOM 929 C CE1 . TYR A 0 112 . 6.161 5.422 10.431 1.00 34.77 112 A 1 ATOM 930 C CE2 . TYR A 0 112 . 6.982 3.180 10.949 1.00 34.77 112 A 1 ATOM 931 O OH . TYR A 0 112 . 5.643 4.374 12.529 1.00 34.77 112 A 1 ATOM 932 C CZ . TYR A 0 112 . 6.250 4.325 11.316 1.00 34.77 112 A 1 ATOM 933 N N . THR A 0 113 . 7.213 3.914 3.796 1.00 37.79 113 A 1 ATOM 934 C CA . THR A 0 113 . 7.719 4.670 2.623 1.00 37.79 113 A 1 ATOM 935 C C . THR A 0 113 . 6.578 5.435 1.979 1.00 37.79 113 A 1 ATOM 936 C CB . THR A 0 113 . 8.367 3.831 1.519 1.00 37.79 113 A 1 ATOM 937 O O . THR A 0 113 . 5.515 4.796 1.795 1.00 37.79 113 A 1 ATOM 938 C CG2 . THR A 0 113 . 9.733 3.256 1.880 1.00 37.79 113 A 1 ATOM 939 O OG1 . THR A 0 113 . 7.480 2.799 1.167 1.00 37.79 113 A 1 ATOM 940 O OXT . THR A 0 113 . 6.800 6.621 1.675 1.00 37.79 113 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 56.08 # loop_ _atom_type.symbol C N O S #