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 HIS 0 3 ASN 0 4 HIS 0 5 LEU 0 6 CYS 0 7 ILE 0 8 ILE 0 9 LEU 0 10 LEU 0 11 VAL 0 12 LEU 0 13 ILE 0 14 THR 0 15 ILE 0 16 MET 0 17 GLY 0 18 PHE 0 19 ASN 0 20 TYR 0 21 ILE 0 22 ASN 0 23 GLY 0 24 ILE 0 25 PRO 0 26 SER 0 27 ILE 0 28 TYR 0 29 SER 0 30 THR 0 31 CYS 0 32 ALA 0 33 ASN 0 34 LEU 0 35 THR 0 36 GLN 0 37 ARG 0 38 CYS 0 39 GLU 0 40 PRO 0 41 THR 0 42 TYR 0 43 PRO 0 44 CYS 0 45 CYS 0 46 SER 0 47 PRO 0 48 ASN 0 49 LEU 0 50 CYS 0 51 GLN 0 52 VAL 0 53 ILE 0 54 SER 0 55 SER 0 56 GLU 0 57 ILE 0 58 GLY 0 59 THR 0 60 CYS 0 61 VAL 0 62 GLU 0 63 CYS 0 64 PHE 0 65 GLN 0 66 LEU 0 67 GLU 0 68 VAL 0 69 ASP 0 70 CYS 0 71 GLN 0 72 TYR 0 73 ASN 0 74 GLN 0 75 GLN 0 76 CYS 0 77 CYS 0 78 SER 0 79 GLY 0 80 LEU 0 81 CYS 0 82 PHE 0 83 LYS 0 84 ASN 0 85 VAL 0 86 CYS 0 87 THR 0 88 MET 0 89 LEU 0 90 SER 0 91 PRO 0 92 ASN # 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 . -29.500 -13.674 52.277 1.00 61.00 1 A 1 ATOM 2 C CA . MET A 0 1 . -29.489 -12.453 51.435 1.00 61.00 1 A 1 ATOM 3 C C . MET A 0 1 . -28.129 -12.244 50.762 1.00 61.00 1 A 1 ATOM 4 C CB . MET A 0 1 . -29.966 -11.218 52.210 1.00 61.00 1 A 1 ATOM 5 O O . MET A 0 1 . -28.100 -12.169 49.543 1.00 61.00 1 A 1 ATOM 6 C CG . MET A 0 1 . -31.354 -11.446 52.826 1.00 61.00 1 A 1 ATOM 7 S SD . MET A 0 1 . -31.970 -10.033 53.759 1.00 61.00 1 A 1 ATOM 8 C CE . MET A 0 1 . -33.603 -10.657 54.248 1.00 61.00 1 A 1 ATOM 9 N N . HIS A 0 2 . -27.011 -12.267 51.505 1.00 72.58 2 A 1 ATOM 10 C CA . HIS A 0 2 . -25.646 -12.110 50.960 1.00 72.58 2 A 1 ATOM 11 C C . HIS A 0 2 . -25.275 -13.071 49.810 1.00 72.58 2 A 1 ATOM 12 C CB . HIS A 0 2 . -24.641 -12.247 52.117 1.00 72.58 2 A 1 ATOM 13 O O . HIS A 0 2 . -24.658 -12.642 48.841 1.00 72.58 2 A 1 ATOM 14 C CG . HIS A 0 2 . -24.736 -11.114 53.109 1.00 72.58 2 A 1 ATOM 15 C CD2 . HIS A 0 2 . -24.192 -9.868 52.949 1.00 72.58 2 A 1 ATOM 16 N ND1 . HIS A 0 2 . -25.391 -11.120 54.325 1.00 72.58 2 A 1 ATOM 17 C CE1 . HIS A 0 2 . -25.253 -9.898 54.871 1.00 72.58 2 A 1 ATOM 18 N NE2 . HIS A 0 2 . -24.541 -9.107 54.063 1.00 72.58 2 A 1 ATOM 19 N N . ASN A 0 3 . -25.700 -14.342 49.865 1.00 78.40 3 A 1 ATOM 20 C CA . ASN A 0 3 . -25.366 -15.315 48.815 1.00 78.40 3 A 1 ATOM 21 C C . ASN A 0 3 . -26.042 -15.001 47.464 1.00 78.40 3 A 1 ATOM 22 C CB . ASN A 0 3 . -25.711 -16.734 49.309 1.00 78.40 3 A 1 ATOM 23 O O . ASN A 0 3 . -25.409 -15.086 46.418 1.00 78.40 3 A 1 ATOM 24 C CG . ASN A 0 3 . -24.951 -17.792 48.523 1.00 78.40 3 A 1 ATOM 25 N ND2 . ASN A 0 3 . -25.560 -18.906 48.194 1.00 78.40 3 A 1 ATOM 26 O OD1 . ASN A 0 3 . -23.785 -17.633 48.226 1.00 78.40 3 A 1 ATOM 27 N N . HIS A 0 4 . -27.309 -14.570 47.484 1.00 83.05 4 A 1 ATOM 28 C CA . HIS A 0 4 . -28.020 -14.183 46.259 1.00 83.05 4 A 1 ATOM 29 C C . HIS A 0 4 . -27.419 -12.928 45.626 1.00 83.05 4 A 1 ATOM 30 C CB . HIS A 0 4 . -29.515 -13.977 46.541 1.00 83.05 4 A 1 ATOM 31 O O . HIS A 0 4 . -27.276 -12.878 44.408 1.00 83.05 4 A 1 ATOM 32 C CG . HIS A 0 4 . -30.310 -15.243 46.376 1.00 83.05 4 A 1 ATOM 33 C CD2 . HIS A 0 4 . -30.804 -16.046 47.367 1.00 83.05 4 A 1 ATOM 34 N ND1 . HIS A 0 4 . -30.674 -15.811 45.176 1.00 83.05 4 A 1 ATOM 35 C CE1 . HIS A 0 4 . -31.370 -16.929 45.439 1.00 83.05 4 A 1 ATOM 36 N NE2 . HIS A 0 4 . -31.468 -17.113 46.765 1.00 83.05 4 A 1 ATOM 37 N N . LEU A 0 5 . -27.021 -11.947 46.443 1.00 83.66 5 A 1 ATOM 38 C CA . LEU A 0 5 . -26.380 -10.730 45.947 1.00 83.66 5 A 1 ATOM 39 C C . LEU A 0 5 . -25.054 -11.042 45.235 1.00 83.66 5 A 1 ATOM 40 C CB . LEU A 0 5 . -26.182 -9.763 47.127 1.00 83.66 5 A 1 ATOM 41 O O . LEU A 0 5 . -24.779 -10.484 44.176 1.00 83.66 5 A 1 ATOM 42 C CG . LEU A 0 5 . -25.847 -8.323 46.697 1.00 83.66 5 A 1 ATOM 43 C CD1 . LEU A 0 5 . -27.022 -7.666 45.967 1.00 83.66 5 A 1 ATOM 44 C CD2 . LEU A 0 5 . -25.528 -7.491 47.938 1.00 83.66 5 A 1 ATOM 45 N N . CYS A 0 6 . -24.276 -11.983 45.780 1.00 87.04 6 A 1 ATOM 46 C CA . CYS A 0 6 . -23.021 -12.436 45.182 1.00 87.04 6 A 1 ATOM 47 C C . CYS A 0 6 . -23.242 -13.099 43.812 1.00 87.04 6 A 1 ATOM 48 C CB . CYS A 0 6 . -22.339 -13.383 46.179 1.00 87.04 6 A 1 ATOM 49 O O . CYS A 0 6 . -22.578 -12.748 42.839 1.00 87.04 6 A 1 ATOM 50 S SG . CYS A 0 6 . -20.617 -13.640 45.675 1.00 87.04 6 A 1 ATOM 51 N N . ILE A 0 7 . -24.229 -13.997 43.710 1.00 88.53 7 A 1 ATOM 52 C CA . ILE A 0 7 . -24.559 -14.680 42.450 1.00 88.53 7 A 1 ATOM 53 C C . ILE A 0 7 . -24.985 -13.672 41.373 1.00 88.53 7 A 1 ATOM 54 C CB . ILE A 0 7 . -25.632 -15.769 42.690 1.00 88.53 7 A 1 ATOM 55 O O . ILE A 0 7 . -24.519 -13.760 40.240 1.00 88.53 7 A 1 ATOM 56 C CG1 . ILE A 0 7 . -25.061 -16.895 43.585 1.00 88.53 7 A 1 ATOM 57 C CG2 . ILE A 0 7 . -26.127 -16.367 41.358 1.00 88.53 7 A 1 ATOM 58 C CD1 . ILE A 0 7 . -26.127 -17.849 44.139 1.00 88.53 7 A 1 ATOM 59 N N . ILE A 0 8 . -25.819 -12.684 41.719 1.00 89.13 8 A 1 ATOM 60 C CA . ILE A 0 8 . -26.260 -11.652 40.766 1.00 89.13 8 A 1 ATOM 61 C C . ILE A 0 8 . -25.064 -10.833 40.259 1.00 89.13 8 A 1 ATOM 62 C CB . ILE A 0 8 . -27.357 -10.759 41.393 1.00 89.13 8 A 1 ATOM 63 O O . ILE A 0 8 . -24.953 -10.597 39.058 1.00 89.13 8 A 1 ATOM 64 C CG1 . ILE A 0 8 . -28.631 -11.593 41.674 1.00 89.13 8 A 1 ATOM 65 C CG2 . ILE A 0 8 . -27.707 -9.579 40.465 1.00 89.13 8 A 1 ATOM 66 C CD1 . ILE A 0 8 . -29.672 -10.869 42.538 1.00 89.13 8 A 1 ATOM 67 N N . LEU A 0 9 . -24.140 -10.446 41.144 1.00 88.14 9 A 1 ATOM 68 C CA . LEU A 0 9 . -22.955 -9.674 40.766 1.00 88.14 9 A 1 ATOM 69 C C . LEU A 0 9 . -22.054 -10.445 39.784 1.00 88.14 9 A 1 ATOM 70 C CB . LEU A 0 9 . -22.183 -9.290 42.040 1.00 88.14 9 A 1 ATOM 71 O O . LEU A 0 9 . -21.602 -9.880 38.791 1.00 88.14 9 A 1 ATOM 72 C CG . LEU A 0 9 . -21.261 -8.076 41.810 1.00 88.14 9 A 1 ATOM 73 C CD1 . LEU A 0 9 . -21.921 -6.802 42.343 1.00 88.14 9 A 1 ATOM 74 C CD2 . LEU A 0 9 . -19.921 -8.263 42.517 1.00 88.14 9 A 1 ATOM 75 N N . LEU A 0 10 . -21.838 -11.743 40.024 1.00 88.70 10 A 1 ATOM 76 C CA . LEU A 0 10 . -21.047 -12.601 39.135 1.00 88.70 10 A 1 ATOM 77 C C . LEU A 0 10 . -21.691 -12.734 37.749 1.00 88.70 10 A 1 ATOM 78 C CB . LEU A 0 10 . -20.863 -13.985 39.784 1.00 88.70 10 A 1 ATOM 79 O O . LEU A 0 10 . -21.001 -12.624 36.736 1.00 88.70 10 A 1 ATOM 80 C CG . LEU A 0 10 . -19.951 -13.994 41.024 1.00 88.70 10 A 1 ATOM 81 C CD1 . LEU A 0 10 . -19.983 -15.381 41.667 1.00 88.70 10 A 1 ATOM 82 C CD2 . LEU A 0 10 . -18.498 -13.658 40.677 1.00 88.70 10 A 1 ATOM 83 N N . VAL A 0 11 . -23.016 -12.896 37.693 1.00 89.30 11 A 1 ATOM 84 C CA . VAL A 0 11 . -23.754 -12.946 36.423 1.00 89.30 11 A 1 ATOM 85 C C . VAL A 0 11 . -23.603 -11.627 35.660 1.00 89.30 11 A 1 ATOM 86 C CB . VAL A 0 11 . -25.230 -13.321 36.656 1.00 89.30 11 A 1 ATOM 87 O O . VAL A 0 11 . -23.265 -11.650 34.480 1.00 89.30 11 A 1 ATOM 88 C CG1 . VAL A 0 11 . -26.070 -13.206 35.379 1.00 89.30 11 A 1 ATOM 89 C CG2 . VAL A 0 11 . -25.344 -14.773 37.140 1.00 89.30 11 A 1 ATOM 90 N N . LEU A 0 12 . -23.740 -10.475 36.322 1.00 87.60 12 A 1 ATOM 91 C CA . LEU A 0 12 . -23.555 -9.172 35.672 1.00 87.60 12 A 1 ATOM 92 C C . LEU A 0 12 . -22.135 -8.994 35.115 1.00 87.60 12 A 1 ATOM 93 C CB . LEU A 0 12 . -23.902 -8.045 36.659 1.00 87.60 12 A 1 ATOM 94 O O . LEU A 0 12 . -21.982 -8.537 33.984 1.00 87.60 12 A 1 ATOM 95 C CG . LEU A 0 12 . -25.393 -7.962 37.033 1.00 87.60 12 A 1 ATOM 96 C CD1 . LEU A 0 12 . -25.579 -6.919 38.135 1.00 87.60 12 A 1 ATOM 97 C CD2 . LEU A 0 12 . -26.274 -7.577 35.843 1.00 87.60 12 A 1 ATOM 98 N N . ILE A 0 13 . -21.103 -9.399 35.863 1.00 85.96 13 A 1 ATOM 99 C CA . ILE A 0 13 . -19.706 -9.331 35.405 1.00 85.96 13 A 1 ATOM 100 C C . ILE A 0 13 . -19.498 -10.200 34.159 1.00 85.96 13 A 1 ATOM 101 C CB . ILE A 0 13 . -18.737 -9.705 36.551 1.00 85.96 13 A 1 ATOM 102 O O . ILE A 0 13 . -18.891 -9.740 33.193 1.00 85.96 13 A 1 ATOM 103 C CG1 . ILE A 0 13 . -18.779 -8.626 37.659 1.00 85.96 13 A 1 ATOM 104 C CG2 . ILE A 0 13 . -17.291 -9.849 36.034 1.00 85.96 13 A 1 ATOM 105 C CD1 . ILE A 0 13 . -18.148 -9.077 38.983 1.00 85.96 13 A 1 ATOM 106 N N . THR A 0 14 . -20.039 -11.423 34.139 1.00 83.71 14 A 1 ATOM 107 C CA . THR A 0 14 . -19.924 -12.300 32.959 1.00 83.71 14 A 1 ATOM 108 C C . THR A 0 14 . -20.664 -11.747 31.742 1.00 83.71 14 A 1 ATOM 109 C CB . THR A 0 14 . -20.372 -13.742 33.232 1.00 83.71 14 A 1 ATOM 110 O O . THR A 0 14 . -20.122 -11.802 30.642 1.00 83.71 14 A 1 ATOM 111 C CG2 . THR A 0 14 . -19.489 -14.436 34.267 1.00 83.71 14 A 1 ATOM 112 O OG1 . THR A 0 14 . -21.708 -13.819 33.667 1.00 83.71 14 A 1 ATOM 113 N N . ILE A 0 15 . -21.842 -11.139 31.920 1.00 82.54 15 A 1 ATOM 114 C CA . ILE A 0 15 . -22.590 -10.503 30.825 1.00 82.54 15 A 1 ATOM 115 C C . ILE A 0 15 . -21.807 -9.312 30.260 1.00 82.54 15 A 1 ATOM 116 C CB . ILE A 0 15 . -24.005 -10.092 31.294 1.00 82.54 15 A 1 ATOM 117 O O . ILE A 0 15 . -21.650 -9.206 29.044 1.00 82.54 15 A 1 ATOM 118 C CG1 . ILE A 0 15 . -24.856 -11.342 31.616 1.00 82.54 15 A 1 ATOM 119 C CG2 . ILE A 0 15 . -24.725 -9.250 30.220 1.00 82.54 15 A 1 ATOM 120 C CD1 . ILE A 0 15 . -26.137 -11.024 32.399 1.00 82.54 15 A 1 ATOM 121 N N . MET A 0 16 . -21.287 -8.427 31.116 1.00 76.60 16 A 1 ATOM 122 C CA . MET A 0 16 . -20.485 -7.279 30.672 1.00 76.60 16 A 1 ATOM 123 C C . MET A 0 16 . -19.212 -7.732 29.945 1.00 76.60 16 A 1 ATOM 124 C CB . MET A 0 16 . -20.129 -6.384 31.868 1.00 76.60 16 A 1 ATOM 125 O O . MET A 0 16 . -18.909 -7.223 28.867 1.00 76.60 16 A 1 ATOM 126 C CG . MET A 0 16 . -21.354 -5.660 32.439 1.00 76.60 16 A 1 ATOM 127 S SD . MET A 0 16 . -20.992 -4.486 33.777 1.00 76.60 16 A 1 ATOM 128 C CE . MET A 0 16 . -20.394 -5.593 35.081 1.00 76.60 16 A 1 ATOM 129 N N . GLY A 0 17 . -18.514 -8.737 30.487 1.00 75.00 17 A 1 ATOM 130 C CA . GLY A 0 17 . -17.330 -9.323 29.859 1.00 75.00 17 A 1 ATOM 131 C C . GLY A 0 17 . -17.634 -9.952 28.499 1.00 75.00 17 A 1 ATOM 132 O O . GLY A 0 17 . -16.908 -9.713 27.538 1.00 75.00 17 A 1 ATOM 133 N N . PHE A 0 18 . -18.738 -10.694 28.376 1.00 71.72 18 A 1 ATOM 134 C CA . PHE A 0 18 . -19.126 -11.322 27.113 1.00 71.72 18 A 1 ATOM 135 C C . PHE A 0 18 . -19.450 -10.280 26.033 1.00 71.72 18 A 1 ATOM 136 C CB . PHE A 0 18 . -20.301 -12.280 27.355 1.00 71.72 18 A 1 ATOM 137 O O . PHE A 0 18 . -18.987 -10.404 24.901 1.00 71.72 18 A 1 ATOM 138 C CG . PHE A 0 18 . -20.464 -13.323 26.269 1.00 71.72 18 A 1 ATOM 139 C CD1 . PHE A 0 18 . -21.387 -13.140 25.222 1.00 71.72 18 A 1 ATOM 140 C CD2 . PHE A 0 18 . -19.675 -14.488 26.307 1.00 71.72 18 A 1 ATOM 141 C CE1 . PHE A 0 18 . -21.514 -14.118 24.218 1.00 71.72 18 A 1 ATOM 142 C CE2 . PHE A 0 18 . -19.802 -15.464 25.304 1.00 71.72 18 A 1 ATOM 143 C CZ . PHE A 0 18 . -20.720 -15.277 24.257 1.00 71.72 18 A 1 ATOM 144 N N . ASN A 0 19 . -20.182 -9.215 26.374 1.00 66.42 19 A 1 ATOM 145 C CA . ASN A 0 19 . -20.483 -8.139 25.422 1.00 66.42 19 A 1 ATOM 146 C C . ASN A 0 19 . -19.219 -7.392 24.966 1.00 66.42 19 A 1 ATOM 147 C CB . ASN A 0 19 . -21.508 -7.176 26.036 1.00 66.42 19 A 1 ATOM 148 O O . ASN A 0 19 . -19.117 -7.033 23.796 1.00 66.42 19 A 1 ATOM 149 C CG . ASN A 0 19 . -22.909 -7.752 26.006 1.00 66.42 19 A 1 ATOM 150 N ND2 . ASN A 0 19 . -23.403 -8.277 27.098 1.00 66.42 19 A 1 ATOM 151 O OD1 . ASN A 0 19 . -23.580 -7.767 24.994 1.00 66.42 19 A 1 ATOM 152 N N . TYR A 0 20 . -18.240 -7.205 25.855 1.00 68.90 20 A 1 ATOM 153 C CA . TYR A 0 20 . -16.982 -6.541 25.510 1.00 68.90 20 A 1 ATOM 154 C C . TYR A 0 20 . -16.156 -7.336 24.484 1.00 68.90 20 A 1 ATOM 155 C CB . TYR A 0 20 . -16.187 -6.282 26.796 1.00 68.90 20 A 1 ATOM 156 O O . TYR A 0 20 . -15.630 -6.758 23.538 1.00 68.90 20 A 1 ATOM 157 C CG . TYR A 0 20 . -15.019 -5.340 26.596 1.00 68.90 20 A 1 ATOM 158 C CD1 . TYR A 0 20 . -13.719 -5.846 26.407 1.00 68.90 20 A 1 ATOM 159 C CD2 . TYR A 0 20 . -15.244 -3.950 26.577 1.00 68.90 20 A 1 ATOM 160 C CE1 . TYR A 0 20 . -12.643 -4.961 26.207 1.00 68.90 20 A 1 ATOM 161 C CE2 . TYR A 0 20 . -14.172 -3.061 26.372 1.00 68.90 20 A 1 ATOM 162 O OH . TYR A 0 20 . -11.825 -2.719 25.991 1.00 68.90 20 A 1 ATOM 163 C CZ . TYR A 0 20 . -12.867 -3.569 26.187 1.00 68.90 20 A 1 ATOM 164 N N . ILE A 0 21 . -16.086 -8.666 24.625 1.00 64.87 21 A 1 ATOM 165 C CA . ILE A 0 21 . -15.303 -9.532 23.723 1.00 64.87 21 A 1 ATOM 166 C C . ILE A 0 21 . -15.927 -9.580 22.318 1.00 64.87 21 A 1 ATOM 167 C CB . ILE A 0 21 . -15.172 -10.955 24.322 1.00 64.87 21 A 1 ATOM 168 O O . ILE A 0 21 . -15.209 -9.525 21.323 1.00 64.87 21 A 1 ATOM 169 C CG1 . ILE A 0 21 . -14.531 -10.983 25.735 1.00 64.87 21 A 1 ATOM 170 C CG2 . ILE A 0 21 . -14.421 -11.900 23.364 1.00 64.87 21 A 1 ATOM 171 C CD1 . ILE A 0 21 . -13.004 -11.104 25.809 1.00 64.87 21 A 1 ATOM 172 N N . ASN A 0 22 . -17.260 -9.652 22.223 1.00 59.56 22 A 1 ATOM 173 C CA . ASN A 0 22 . -17.962 -9.741 20.933 1.00 59.56 22 A 1 ATOM 174 C C . ASN A 0 22 . -18.013 -8.406 20.169 1.00 59.56 22 A 1 ATOM 175 C CB . ASN A 0 22 . -19.378 -10.292 21.159 1.00 59.56 22 A 1 ATOM 176 O O . ASN A 0 22 . -18.335 -8.392 18.985 1.00 59.56 22 A 1 ATOM 177 C CG . ASN A 0 22 . -19.380 -11.758 21.543 1.00 59.56 22 A 1 ATOM 178 N ND2 . ASN A 0 22 . -19.574 -12.076 22.796 1.00 59.56 22 A 1 ATOM 179 O OD1 . ASN A 0 22 . -19.206 -12.646 20.731 1.00 59.56 22 A 1 ATOM 180 N N . GLY A 0 23 . -17.717 -7.290 20.839 1.00 56.62 23 A 1 ATOM 181 C CA . GLY A 0 23 . -17.717 -5.957 20.244 1.00 56.62 23 A 1 ATOM 182 C C . GLY A 0 23 . -16.410 -5.567 19.562 1.00 56.62 23 A 1 ATOM 183 O O . GLY A 0 23 . -16.351 -4.477 19.002 1.00 56.62 23 A 1 ATOM 184 N N . ILE A 0 24 . -15.366 -6.403 19.604 1.00 55.71 24 A 1 ATOM 185 C CA . ILE A 0 24 . -14.141 -6.133 18.849 1.00 55.71 24 A 1 ATOM 186 C C . ILE A 0 24 . -14.485 -6.406 17.385 1.00 55.71 24 A 1 ATOM 187 C CB . ILE A 0 24 . -12.943 -6.978 19.343 1.00 55.71 24 A 1 ATOM 188 O O . ILE A 0 24 . -14.669 -7.576 17.039 1.00 55.71 24 A 1 ATOM 189 C CG1 . ILE A 0 24 . -12.726 -6.761 20.859 1.00 55.71 24 A 1 ATOM 190 C CG2 . ILE A 0 24 . -11.678 -6.595 18.545 1.00 55.71 24 A 1 ATOM 191 C CD1 . ILE A 0 24 . -11.594 -7.600 21.463 1.00 55.71 24 A 1 ATOM 192 N N . PRO A 0 25 . -14.600 -5.379 16.516 1.00 53.40 25 A 1 ATOM 193 C CA . PRO A 0 25 . -14.694 -5.630 15.094 1.00 53.40 25 A 1 ATOM 194 C C . PRO A 0 25 . -13.425 -6.389 14.753 1.00 53.40 25 A 1 ATOM 195 C CB . PRO A 0 25 . -14.790 -4.262 14.415 1.00 53.40 25 A 1 ATOM 196 O O . PRO A 0 25 . -12.317 -5.857 14.844 1.00 53.40 25 A 1 ATOM 197 C CG . PRO A 0 25 . -14.082 -3.329 15.395 1.00 53.40 25 A 1 ATOM 198 C CD . PRO A 0 25 . -14.372 -3.958 16.755 1.00 53.40 25 A 1 ATOM 199 N N . SER A 0 26 . -13.579 -7.676 14.459 1.00 55.05 26 A 1 ATOM 200 C CA . SER A 0 26 . -12.508 -8.463 13.892 1.00 55.05 26 A 1 ATOM 201 C C . SER A 0 26 . -11.968 -7.621 12.753 1.00 55.05 26 A 1 ATOM 202 C CB . SER A 0 26 . -13.057 -9.802 13.400 1.00 55.05 26 A 1 ATOM 203 O O . SER A 0 26 . -12.736 -7.264 11.856 1.00 55.05 26 A 1 ATOM 204 O OG . SER A 0 26 . -14.203 -9.603 12.590 1.00 55.05 26 A 1 ATOM 205 N N . ILE A 0 27 . -10.687 -7.267 12.816 1.00 55.54 27 A 1 ATOM 206 C CA . ILE A 0 27 . -9.958 -6.579 11.751 1.00 55.54 27 A 1 ATOM 207 C C . ILE A 0 27 . -9.803 -7.571 10.578 1.00 55.54 27 A 1 ATOM 208 C CB . ILE A 0 27 . -8.632 -5.971 12.291 1.00 55.54 27 A 1 ATOM 209 O O . ILE A 0 27 . -8.738 -7.759 10.013 1.00 55.54 27 A 1 ATOM 210 C CG1 . ILE A 0 27 . -8.882 -4.978 13.457 1.00 55.54 27 A 1 ATOM 211 C CG2 . ILE A 0 27 . -7.840 -5.217 11.202 1.00 55.54 27 A 1 ATOM 212 C CD1 . ILE A 0 27 . -7.659 -4.791 14.367 1.00 55.54 27 A 1 ATOM 213 N N . TYR A 0 28 . -10.897 -8.210 10.159 1.00 54.35 28 A 1 ATOM 214 C CA . TYR A 0 28 . -11.215 -8.338 8.752 1.00 54.35 28 A 1 ATOM 215 C C . TYR A 0 28 . -11.430 -6.912 8.238 1.00 54.35 28 A 1 ATOM 216 C CB . TYR A 0 28 . -12.461 -9.221 8.561 1.00 54.35 28 A 1 ATOM 217 O O . TYR A 0 28 . -12.530 -6.522 7.853 1.00 54.35 28 A 1 ATOM 218 C CG . TYR A 0 28 . -12.215 -10.704 8.741 1.00 54.35 28 A 1 ATOM 219 C CD1 . TYR A 0 28 . -11.762 -11.473 7.653 1.00 54.35 28 A 1 ATOM 220 C CD2 . TYR A 0 28 . -12.456 -11.321 9.980 1.00 54.35 28 A 1 ATOM 221 C CE1 . TYR A 0 28 . -11.542 -12.854 7.809 1.00 54.35 28 A 1 ATOM 222 C CE2 . TYR A 0 28 . -12.224 -12.699 10.150 1.00 54.35 28 A 1 ATOM 223 O OH . TYR A 0 28 . -11.550 -14.801 9.204 1.00 54.35 28 A 1 ATOM 224 C CZ . TYR A 0 28 . -11.767 -13.468 9.058 1.00 54.35 28 A 1 ATOM 225 N N . SER A 0 29 . -10.371 -6.098 8.268 1.00 61.33 29 A 1 ATOM 226 C CA . SER A 0 29 . -10.225 -5.068 7.269 1.00 61.33 29 A 1 ATOM 227 C C . SER A 0 29 . -10.334 -5.837 5.967 1.00 61.33 29 A 1 ATOM 228 C CB . SER A 0 29 . -8.881 -4.335 7.403 1.00 61.33 29 A 1 ATOM 229 O O . SER A 0 29 . -9.477 -6.659 5.633 1.00 61.33 29 A 1 ATOM 230 O OG . SER A 0 29 . -7.824 -5.212 7.756 1.00 61.33 29 A 1 ATOM 231 N N . THR A 0 30 . -11.468 -5.682 5.285 1.00 79.44 30 A 1 ATOM 232 C CA . THR A 0 30 . -11.561 -6.100 3.896 1.00 79.44 30 A 1 ATOM 233 C C . THR A 0 30 . -10.303 -5.542 3.238 1.00 79.44 30 A 1 ATOM 234 C CB . THR A 0 30 . -12.845 -5.577 3.242 1.00 79.44 30 A 1 ATOM 235 O O . THR A 0 30 . -9.920 -4.403 3.480 1.00 79.44 30 A 1 ATOM 236 C CG2 . THR A 0 30 . -13.110 -6.213 1.882 1.00 79.44 30 A 1 ATOM 237 O OG1 . THR A 0 30 . -13.963 -5.859 4.052 1.00 79.44 30 A 1 ATOM 238 N N . CYS A 0 31 . -9.546 -6.382 2.557 1.00 87.93 31 A 1 ATOM 239 C CA . CYS A 0 31 . -8.345 -5.912 1.898 1.00 87.93 31 A 1 ATOM 240 C C . CYS A 0 31 . -8.727 -5.425 0.495 1.00 87.93 31 A 1 ATOM 241 C CB . CYS A 0 31 . -7.277 -6.999 2.006 1.00 87.93 31 A 1 ATOM 242 O O . CYS A 0 31 . -9.726 -5.858 -0.089 1.00 87.93 31 A 1 ATOM 243 S SG . CYS A 0 31 . -7.738 -8.614 1.336 1.00 87.93 31 A 1 ATOM 244 N N . ALA A 0 32 . -7.963 -4.484 -0.045 1.00 90.18 32 A 1 ATOM 245 C CA . ALA A 0 32 . -8.155 -3.993 -1.401 1.00 90.18 32 A 1 ATOM 246 C C . ALA A 0 32 . -7.590 -4.999 -2.419 1.00 90.18 32 A 1 ATOM 247 C CB . ALA A 0 32 . -7.510 -2.609 -1.502 1.00 90.18 32 A 1 ATOM 248 O O . ALA A 0 32 . -6.430 -5.408 -2.336 1.00 90.18 32 A 1 ATOM 249 N N . ASN A 0 33 . -8.402 -5.402 -3.394 1.00 91.66 33 A 1 ATOM 250 C CA . ASN A 0 33 . -7.957 -6.206 -4.531 1.00 91.66 33 A 1 ATOM 251 C C . ASN A 0 33 . -7.141 -5.362 -5.518 1.00 91.66 33 A 1 ATOM 252 C CB . ASN A 0 33 . -9.162 -6.864 -5.223 1.00 91.66 33 A 1 ATOM 253 O O . ASN A 0 33 . -7.099 -4.135 -5.436 1.00 91.66 33 A 1 ATOM 254 C CG . ASN A 0 33 . -9.835 -7.878 -4.329 1.00 91.66 33 A 1 ATOM 255 N ND2 . ASN A 0 33 . -10.992 -7.562 -3.800 1.00 91.66 33 A 1 ATOM 256 O OD1 . ASN A 0 33 . -9.317 -8.952 -4.089 1.00 91.66 33 A 1 ATOM 257 N N . LEU A 0 34 . -6.524 -6.028 -6.494 1.00 91.57 34 A 1 ATOM 258 C CA . LEU A 0 34 . -5.787 -5.384 -7.579 1.00 91.57 34 A 1 ATOM 259 C C . LEU A 0 34 . -6.614 -4.267 -8.238 1.00 91.57 34 A 1 ATOM 260 C CB . LEU A 0 34 . -5.392 -6.469 -8.597 1.00 91.57 34 A 1 ATOM 261 O O . LEU A 0 34 . -7.809 -4.431 -8.479 1.00 91.57 34 A 1 ATOM 262 C CG . LEU A 0 34 . -4.421 -5.982 -9.687 1.00 91.57 34 A 1 ATOM 263 C CD1 . LEU A 0 34 . -3.032 -5.685 -9.127 1.00 91.57 34 A 1 ATOM 264 C CD2 . LEU A 0 34 . -4.292 -7.038 -10.779 1.00 91.57 34 A 1 ATOM 265 N N . THR A 0 35 . -5.971 -3.138 -8.538 1.00 89.22 35 A 1 ATOM 266 C CA . THR A 0 35 . -6.554 -1.890 -9.072 1.00 89.22 35 A 1 ATOM 267 C C . THR A 0 35 . -7.520 -1.150 -8.145 1.00 89.22 35 A 1 ATOM 268 C CB . THR A 0 35 . -7.173 -2.057 -10.472 1.00 89.22 35 A 1 ATOM 269 O O . THR A 0 35 . -7.954 -0.047 -8.474 1.00 89.22 35 A 1 ATOM 270 C CG2 . THR A 0 35 . -6.254 -2.780 -11.455 1.00 89.22 35 A 1 ATOM 271 O OG1 . THR A 0 35 . -8.387 -2.771 -10.421 1.00 89.22 35 A 1 ATOM 272 N N . GLN A 0 36 . -7.839 -1.698 -6.968 1.00 91.53 36 A 1 ATOM 273 C CA . GLN A 0 36 . -8.634 -0.986 -5.975 1.00 91.53 36 A 1 ATOM 274 C C . GLN A 0 36 . -7.779 0.016 -5.201 1.00 91.53 36 A 1 ATOM 275 C CB . GLN A 0 36 . -9.382 -1.940 -5.031 1.00 91.53 36 A 1 ATOM 276 O O . GLN A 0 36 . -6.560 -0.118 -5.074 1.00 91.53 36 A 1 ATOM 277 C CG . GLN A 0 36 . -10.289 -2.917 -5.789 1.00 91.53 36 A 1 ATOM 278 C CD . GLN A 0 36 . -11.269 -3.623 -4.858 1.00 91.53 36 A 1 ATOM 279 N NE2 . GLN A 0 36 . -12.556 -3.421 -5.021 1.00 91.53 36 A 1 ATOM 280 O OE1 . GLN A 0 36 . -10.919 -4.373 -3.961 1.00 91.53 36 A 1 ATOM 281 N N . ARG A 0 37 . -8.449 1.033 -4.665 1.00 90.38 37 A 1 ATOM 282 C CA . ARG A 0 37 . -7.839 2.031 -3.793 1.00 90.38 37 A 1 ATOM 283 C C . ARG A 0 37 . -7.391 1.390 -2.479 1.00 90.38 37 A 1 ATOM 284 C CB . ARG A 0 37 . -8.864 3.135 -3.553 1.00 90.38 37 A 1 ATOM 285 O O . ARG A 0 37 . -8.144 0.622 -1.887 1.00 90.38 37 A 1 ATOM 286 C CG . ARG A 0 37 . -8.293 4.301 -2.746 1.00 90.38 37 A 1 ATOM 287 C CD . ARG A 0 37 . -9.465 5.215 -2.416 1.00 90.38 37 A 1 ATOM 288 N NE . ARG A 0 37 . -9.045 6.354 -1.605 1.00 90.38 37 A 1 ATOM 289 N NH1 . ARG A 0 37 . -8.778 7.870 -3.314 1.00 90.38 37 A 1 ATOM 290 N NH2 . ARG A 0 37 . -8.872 8.534 -1.168 1.00 90.38 37 A 1 ATOM 291 C CZ . ARG A 0 37 . -8.882 7.580 -2.042 1.00 90.38 37 A 1 ATOM 292 N N . CYS A 0 38 . -6.207 1.770 -2.017 1.00 91.22 38 A 1 ATOM 293 C CA . CYS A 0 38 . -5.672 1.406 -0.711 1.00 91.22 38 A 1 ATOM 294 C C . CYS A 0 38 . -5.312 2.652 0.101 1.00 91.22 38 A 1 ATOM 295 C CB . CYS A 0 38 . -4.476 0.471 -0.886 1.00 91.22 38 A 1 ATOM 296 O O . CYS A 0 38 . -4.985 3.706 -0.447 1.00 91.22 38 A 1 ATOM 297 S SG . CYS A 0 38 . -3.206 1.083 -2.027 1.00 91.22 38 A 1 ATOM 298 N N . GLU A 0 39 . -5.379 2.505 1.417 1.00 88.18 39 A 1 ATOM 299 C CA . GLU A 0 39 . -5.073 3.527 2.420 1.00 88.18 39 A 1 ATOM 300 C C . GLU A 0 39 . -4.520 2.832 3.682 1.00 88.18 39 A 1 ATOM 301 C CB . GLU A 0 39 . -6.321 4.398 2.694 1.00 88.18 39 A 1 ATOM 302 O O . GLU A 0 39 . -4.629 1.607 3.791 1.00 88.18 39 A 1 ATOM 303 C CG . GLU A 0 39 . -7.586 3.614 3.062 1.00 88.18 39 A 1 ATOM 304 C CD . GLU A 0 39 . -8.798 4.537 3.244 1.00 88.18 39 A 1 ATOM 305 O OE1 . GLU A 0 39 . -9.345 4.967 2.196 1.00 88.18 39 A 1 ATOM 306 O OE2 . GLU A 0 39 . -9.177 4.804 4.408 1.00 88.18 39 A 1 ATOM 307 N N . PRO A 0 40 . -3.913 3.550 4.645 1.00 82.29 40 A 1 ATOM 308 C CA . PRO A 0 40 . -3.270 2.925 5.810 1.00 82.29 40 A 1 ATOM 309 C C . PRO A 0 40 . -4.183 2.005 6.638 1.00 82.29 40 A 1 ATOM 310 C CB . PRO A 0 40 . -2.760 4.102 6.649 1.00 82.29 40 A 1 ATOM 311 O O . PRO A 0 40 . -3.725 1.026 7.221 1.00 82.29 40 A 1 ATOM 312 C CG . PRO A 0 40 . -2.498 5.191 5.610 1.00 82.29 40 A 1 ATOM 313 C CD . PRO A 0 40 . -3.634 4.982 4.615 1.00 82.29 40 A 1 ATOM 314 N N . THR A 0 41 . -5.480 2.303 6.677 1.00 84.07 41 A 1 ATOM 315 C CA . THR A 0 41 . -6.533 1.528 7.357 1.00 84.07 41 A 1 ATOM 316 C C . THR A 0 41 . -7.115 0.405 6.489 1.00 84.07 41 A 1 ATOM 317 C CB . THR A 0 41 . -7.673 2.483 7.746 1.00 84.07 41 A 1 ATOM 318 O O . THR A 0 41 . -7.773 -0.493 7.016 1.00 84.07 41 A 1 ATOM 319 C CG2 . THR A 0 41 . -7.260 3.426 8.877 1.00 84.07 41 A 1 ATOM 320 O OG1 . THR A 0 41 . -7.941 3.269 6.610 1.00 84.07 41 A 1 ATOM 321 N N . TYR A 0 42 . -6.869 0.434 5.176 1.00 86.62 42 A 1 ATOM 322 C CA . TYR A 0 42 . -7.419 -0.482 4.176 1.00 86.62 42 A 1 ATOM 323 C C . TYR A 0 42 . -6.304 -0.964 3.227 1.00 86.62 42 A 1 ATOM 324 C CB . TYR A 0 42 . -8.569 0.213 3.441 1.00 86.62 42 A 1 ATOM 325 O O . TYR A 0 42 . -6.161 -0.466 2.101 1.00 86.62 42 A 1 ATOM 326 C CG . TYR A 0 42 . -9.484 -0.740 2.715 1.00 86.62 42 A 1 ATOM 327 C CD1 . TYR A 0 42 . -9.353 -0.960 1.332 1.00 86.62 42 A 1 ATOM 328 C CD2 . TYR A 0 42 . -10.511 -1.366 3.433 1.00 86.62 42 A 1 ATOM 329 C CE1 . TYR A 0 42 . -10.206 -1.874 0.682 1.00 86.62 42 A 1 ATOM 330 C CE2 . TYR A 0 42 . -11.407 -2.216 2.769 1.00 86.62 42 A 1 ATOM 331 O OH . TYR A 0 42 . -11.968 -3.483 0.797 1.00 86.62 42 A 1 ATOM 332 C CZ . TYR A 0 42 . -11.204 -2.543 1.413 1.00 86.62 42 A 1 ATOM 333 N N . PRO A 0 43 . -5.450 -1.895 3.694 1.00 88.39 43 A 1 ATOM 334 C CA . PRO A 0 43 . -4.302 -2.360 2.929 1.00 88.39 43 A 1 ATOM 335 C C . PRO A 0 43 . -4.720 -3.261 1.761 1.00 88.39 43 A 1 ATOM 336 C CB . PRO A 0 43 . -3.423 -3.100 3.941 1.00 88.39 43 A 1 ATOM 337 O O . PRO A 0 43 . -5.812 -3.831 1.731 1.00 88.39 43 A 1 ATOM 338 C CG . PRO A 0 43 . -4.441 -3.660 4.934 1.00 88.39 43 A 1 ATOM 339 C CD . PRO A 0 43 . -5.500 -2.560 4.991 1.00 88.39 43 A 1 ATOM 340 N N . CYS A 0 44 . -3.812 -3.437 0.803 1.00 92.49 44 A 1 ATOM 341 C CA . CYS A 0 44 . -3.996 -4.387 -0.289 1.00 92.49 44 A 1 ATOM 342 C C . CYS A 0 44 . -3.979 -5.838 0.200 1.00 92.49 44 A 1 ATOM 343 C CB . CYS A 0 44 . -2.916 -4.168 -1.345 1.00 92.49 44 A 1 ATOM 344 O O . CYS A 0 44 . -3.240 -6.193 1.119 1.00 92.49 44 A 1 ATOM 345 S SG . CYS A 0 44 . -2.932 -2.509 -2.038 1.00 92.49 44 A 1 ATOM 346 N N . CYS A 0 45 . -4.763 -6.696 -0.449 1.00 91.11 45 A 1 ATOM 347 C CA . CYS A 0 45 . -4.688 -8.134 -0.235 1.00 91.11 45 A 1 ATOM 348 C C . CYS A 0 45 . -3.338 -8.647 -0.736 1.00 91.11 45 A 1 ATOM 349 C CB . CYS A 0 45 . -5.813 -8.851 -0.991 1.00 91.11 45 A 1 ATOM 350 O O . CYS A 0 45 . -2.965 -8.370 -1.878 1.00 91.11 45 A 1 ATOM 351 S SG . CYS A 0 45 . -7.513 -8.339 -0.649 1.00 91.11 45 A 1 ATOM 352 N N . SER A 0 46 . -2.641 -9.442 0.077 1.00 85.66 46 A 1 ATOM 353 C CA . SER A 0 46 . -1.430 -10.146 -0.358 1.00 85.66 46 A 1 ATOM 354 C C . SER A 0 46 . -1.722 -10.992 -1.614 1.00 85.66 46 A 1 ATOM 355 C CB . SER A 0 46 . -0.928 -11.042 0.777 1.00 85.66 46 A 1 ATOM 356 O O . SER A 0 46 . -2.789 -11.610 -1.673 1.00 85.66 46 A 1 ATOM 357 O OG . SER A 0 46 . 0.352 -11.564 0.489 1.00 85.66 46 A 1 ATOM 358 N N . PRO A 0 47 . -0.824 -11.030 -2.618 1.00 86.91 47 A 1 ATOM 359 C CA . PRO A 0 47 . 0.537 -10.472 -2.642 1.00 86.91 47 A 1 ATOM 360 C C . PRO A 0 47 . 0.647 -9.018 -3.141 1.00 86.91 47 A 1 ATOM 361 C CB . PRO A 0 47 . 1.312 -11.442 -3.539 1.00 86.91 47 A 1 ATOM 362 O O . PRO A 0 47 . 1.758 -8.539 -3.344 1.00 86.91 47 A 1 ATOM 363 C CG . PRO A 0 47 . 0.273 -11.815 -4.593 1.00 86.91 47 A 1 ATOM 364 C CD . PRO A 0 47 . -1.028 -11.868 -3.793 1.00 86.91 47 A 1 ATOM 365 N N . ASN A 0 48 . -0.468 -8.312 -3.343 1.00 91.34 48 A 1 ATOM 366 C CA . ASN A 0 48 . -0.460 -6.978 -3.945 1.00 91.34 48 A 1 ATOM 367 C C . ASN A 0 48 . 0.150 -5.917 -3.017 1.00 91.34 48 A 1 ATOM 368 C CB . ASN A 0 48 . -1.879 -6.570 -4.367 1.00 91.34 48 A 1 ATOM 369 O O . ASN A 0 48 . 0.050 -5.986 -1.790 1.00 91.34 48 A 1 ATOM 370 C CG . ASN A 0 48 . -2.562 -7.602 -5.236 1.00 91.34 48 A 1 ATOM 371 N ND2 . ASN A 0 48 . -3.640 -8.180 -4.765 1.00 91.34 48 A 1 ATOM 372 O OD1 . ASN A 0 48 . -2.137 -7.917 -6.329 1.00 91.34 48 A 1 ATOM 373 N N . LEU A 0 49 . 0.719 -4.887 -3.633 1.00 92.27 49 A 1 ATOM 374 C CA . LEU A 0 49 . 1.381 -3.764 -2.986 1.00 92.27 49 A 1 ATOM 375 C C . LEU A 0 49 . 0.576 -2.483 -3.188 1.00 92.27 49 A 1 ATOM 376 C CB . LEU A 0 49 . 2.794 -3.622 -3.567 1.00 92.27 49 A 1 ATOM 377 O O . LEU A 0 49 . 0.016 -2.246 -4.256 1.00 92.27 49 A 1 ATOM 378 C CG . LEU A 0 49 . 3.682 -4.866 -3.395 1.00 92.27 49 A 1 ATOM 379 C CD1 . LEU A 0 49 . 4.985 -4.653 -4.153 1.00 92.27 49 A 1 ATOM 380 C CD2 . LEU A 0 49 . 4.019 -5.125 -1.923 1.00 92.27 49 A 1 ATOM 381 N N . CYS A 0 50 . 0.537 -1.632 -2.166 1.00 92.10 50 A 1 ATOM 382 C CA . CYS A 0 50 . -0.112 -0.331 -2.265 1.00 92.10 50 A 1 ATOM 383 C C . CYS A 0 50 . 0.862 0.684 -2.868 1.00 92.10 50 A 1 ATOM 384 C CB . CYS A 0 50 . -0.612 0.089 -0.877 1.00 92.10 50 A 1 ATOM 385 O O . CYS A 0 50 . 1.796 1.118 -2.196 1.00 92.10 50 A 1 ATOM 386 S SG . CYS A 0 50 . -1.620 1.592 -0.876 1.00 92.10 50 A 1 ATOM 387 N N . GLN A 0 51 . 0.660 1.056 -4.133 1.00 91.23 51 A 1 ATOM 388 C CA . GLN A 0 51 . 1.419 2.129 -4.767 1.00 91.23 51 A 1 ATOM 389 C C . GLN A 0 51 . 0.766 3.464 -4.423 1.00 91.23 51 A 1 ATOM 390 C CB . GLN A 0 51 . 1.507 1.892 -6.278 1.00 91.23 51 A 1 ATOM 391 O O . GLN A 0 51 . -0.345 3.747 -4.871 1.00 91.23 51 A 1 ATOM 392 C CG . GLN A 0 51 . 2.348 2.981 -6.959 1.00 91.23 51 A 1 ATOM 393 C CD . GLN A 0 51 . 2.580 2.724 -8.444 1.00 91.23 51 A 1 ATOM 394 N NE2 . GLN A 0 51 . 3.183 3.661 -9.136 1.00 91.23 51 A 1 ATOM 395 O OE1 . GLN A 0 51 . 2.243 1.698 -9.012 1.00 91.23 51 A 1 ATOM 396 N N . VAL A 0 52 . 1.450 4.272 -3.616 1.00 86.45 52 A 1 ATOM 397 C CA . VAL A 0 52 . 0.969 5.586 -3.178 1.00 86.45 52 A 1 ATOM 398 C C . VAL A 0 52 . 0.975 6.556 -4.363 1.00 86.45 52 A 1 ATOM 399 C CB . VAL A 0 52 . 1.814 6.103 -1.998 1.00 86.45 52 A 1 ATOM 400 O O . VAL A 0 52 . 1.993 6.733 -5.023 1.00 86.45 52 A 1 ATOM 401 C CG1 . VAL A 0 52 . 1.278 7.433 -1.473 1.00 86.45 52 A 1 ATOM 402 C CG2 . VAL A 0 52 . 1.785 5.115 -0.821 1.00 86.45 52 A 1 ATOM 403 N N . ILE A 0 53 . -0.174 7.169 -4.642 1.00 82.79 53 A 1 ATOM 404 C CA . ILE A 0 53 . -0.363 8.157 -5.718 1.00 82.79 53 A 1 ATOM 405 C C . ILE A 0 53 . -0.398 9.575 -5.127 1.00 82.79 53 A 1 ATOM 406 C CB . ILE A 0 53 . -1.648 7.831 -6.521 1.00 82.79 53 A 1 ATOM 407 O O . ILE A 0 53 . 0.034 10.533 -5.764 1.00 82.79 53 A 1 ATOM 408 C CG1 . ILE A 0 53 . -1.594 6.406 -7.121 1.00 82.79 53 A 1 ATOM 409 C CG2 . ILE A 0 53 . -1.869 8.861 -7.649 1.00 82.79 53 A 1 ATOM 410 C CD1 . ILE A 0 53 . -2.927 5.921 -7.700 1.00 82.79 53 A 1 ATOM 411 N N . SER A 0 54 . -0.903 9.721 -3.899 1.00 80.79 54 A 1 ATOM 412 C CA . SER A 0 54 . -0.916 10.975 -3.138 1.00 80.79 54 A 1 ATOM 413 C C . SER A 0 54 . -0.809 10.702 -1.634 1.00 80.79 54 A 1 ATOM 414 C CB . SER A 0 54 . -2.169 11.786 -3.484 1.00 80.79 54 A 1 ATOM 415 O O . SER A 0 54 . -0.833 9.547 -1.229 1.00 80.79 54 A 1 ATOM 416 O OG . SER A 0 54 . -3.352 11.155 -3.041 1.00 80.79 54 A 1 ATOM 417 N N . SER A 0 55 . -0.681 11.748 -0.807 1.00 77.74 55 A 1 ATOM 418 C CA . SER A 0 55 . -0.220 11.696 0.596 1.00 77.74 55 A 1 ATOM 419 C C . SER A 0 55 . -0.770 10.568 1.478 1.00 77.74 55 A 1 ATOM 420 C CB . SER A 0 55 . -0.550 13.032 1.272 1.00 77.74 55 A 1 ATOM 421 O O . SER A 0 55 . -0.068 10.135 2.385 1.00 77.74 55 A 1 ATOM 422 O OG . SER A 0 55 . 0.047 14.095 0.546 1.00 77.74 55 A 1 ATOM 423 N N . GLU A 0 56 . -1.986 10.080 1.229 1.00 78.58 56 A 1 ATOM 424 C CA . GLU A 0 56 . -2.614 9.011 2.023 1.00 78.58 56 A 1 ATOM 425 C C . GLU A 0 56 . -3.360 7.982 1.160 1.00 78.58 56 A 1 ATOM 426 C CB . GLU A 0 56 . -3.549 9.653 3.058 1.00 78.58 56 A 1 ATOM 427 O O . GLU A 0 56 . -4.103 7.144 1.668 1.00 78.58 56 A 1 ATOM 428 C CG . GLU A 0 56 . -2.780 10.559 4.030 1.00 78.58 56 A 1 ATOM 429 C CD . GLU A 0 56 . -3.722 11.214 5.031 1.00 78.58 56 A 1 ATOM 430 O OE1 . GLU A 0 56 . -3.768 10.734 6.185 1.00 78.58 56 A 1 ATOM 431 O OE2 . GLU A 0 56 . -4.377 12.202 4.627 1.00 78.58 56 A 1 ATOM 432 N N . ILE A 0 57 . -3.200 8.058 -0.161 1.00 84.96 57 A 1 ATOM 433 C CA . ILE A 0 57 . -4.024 7.326 -1.116 1.00 84.96 57 A 1 ATOM 434 C C . ILE A 0 57 . -3.121 6.602 -2.090 1.00 84.96 57 A 1 ATOM 435 C CB . ILE A 0 57 . -4.955 8.281 -1.875 1.00 84.96 57 A 1 ATOM 436 O O . ILE A 0 57 . -2.329 7.223 -2.803 1.00 84.96 57 A 1 ATOM 437 C CG1 . ILE A 0 57 . -5.846 9.080 -0.897 1.00 84.96 57 A 1 ATOM 438 C CG2 . ILE A 0 57 . -5.753 7.493 -2.929 1.00 84.96 57 A 1 ATOM 439 C CD1 . ILE A 0 57 . -6.563 10.274 -1.546 1.00 84.96 57 A 1 ATOM 440 N N . GLY A 0 58 . -3.317 5.296 -2.190 1.00 91.16 58 A 1 ATOM 441 C CA . GLY A 0 58 . -2.684 4.480 -3.204 1.00 91.16 58 A 1 ATOM 442 C C . GLY A 0 58 . -3.671 3.660 -4.012 1.00 91.16 58 A 1 ATOM 443 O O . GLY A 0 58 . -4.888 3.693 -3.815 1.00 91.16 58 A 1 ATOM 444 N N . THR A 0 59 . -3.115 2.901 -4.943 1.00 93.18 59 A 1 ATOM 445 C CA . THR A 0 59 . -3.812 1.843 -5.669 1.00 93.18 59 A 1 ATOM 446 C C . THR A 0 59 . -3.042 0.543 -5.517 1.00 93.18 59 A 1 ATOM 447 C CB . THR A 0 59 . -3.990 2.228 -7.139 1.00 93.18 59 A 1 ATOM 448 O O . THR A 0 59 . -1.811 0.536 -5.535 1.00 93.18 59 A 1 ATOM 449 C CG2 . THR A 0 59 . -4.687 1.162 -7.975 1.00 93.18 59 A 1 ATOM 450 O OG1 . THR A 0 59 . -4.811 3.370 -7.179 1.00 93.18 59 A 1 ATOM 451 N N . CYS A 0 60 . -3.765 -0.559 -5.360 1.00 94.67 60 A 1 ATOM 452 C CA . CYS A 0 60 . -3.162 -1.876 -5.295 1.00 94.67 60 A 1 ATOM 453 C C . CYS A 0 60 . -2.653 -2.304 -6.661 1.00 94.67 60 A 1 ATOM 454 C CB . CYS A 0 60 . -4.166 -2.881 -4.750 1.00 94.67 60 A 1 ATOM 455 O O . CYS A 0 60 . -3.415 -2.383 -7.627 1.00 94.67 60 A 1 ATOM 456 S SG . CYS A 0 60 . -4.667 -2.476 -3.078 1.00 94.67 60 A 1 ATOM 457 N N . VAL A 0 61 . -1.372 -2.630 -6.714 1.00 95.27 61 A 1 ATOM 458 C CA . VAL A 0 61 . -0.673 -3.122 -7.895 1.00 95.27 61 A 1 ATOM 459 C C . VAL A 0 61 . 0.031 -4.428 -7.552 1.00 95.27 61 A 1 ATOM 460 C CB . VAL A 0 61 . 0.303 -2.070 -8.452 1.00 95.27 61 A 1 ATOM 461 O O . VAL A 0 61 . 0.356 -4.682 -6.396 1.00 95.27 61 A 1 ATOM 462 C CG1 . VAL A 0 61 . -0.452 -0.810 -8.899 1.00 95.27 61 A 1 ATOM 463 C CG2 . VAL A 0 61 . 1.392 -1.665 -7.455 1.00 95.27 61 A 1 ATOM 464 N N . GLU A 0 62 . 0.264 -5.271 -8.549 1.00 94.10 62 A 1 ATOM 465 C CA . GLU A 0 62 . 1.009 -6.519 -8.350 1.00 94.10 62 A 1 ATOM 466 C C . GLU A 0 62 . 2.487 -6.230 -8.044 1.00 94.10 62 A 1 ATOM 467 C CB . GLU A 0 62 . 0.840 -7.367 -9.616 1.00 94.10 62 A 1 ATOM 468 O O . GLU A 0 62 . 3.090 -6.845 -7.170 1.00 94.10 62 A 1 ATOM 469 C CG . GLU A 0 62 . 1.355 -8.797 -9.435 1.00 94.10 62 A 1 ATOM 470 C CD . GLU A 0 62 . 1.144 -9.617 -10.712 1.00 94.10 62 A 1 ATOM 471 O OE1 . GLU A 0 62 . 2.152 -10.127 -11.251 1.00 94.10 62 A 1 ATOM 472 O OE2 . GLU A 0 62 . -0.026 -9.724 -11.148 1.00 94.10 62 A 1 ATOM 473 N N . CYS A 0 63 . 3.043 -5.228 -8.726 1.00 94.50 63 A 1 ATOM 474 C CA . CYS A 0 63 . 4.405 -4.751 -8.565 1.00 94.50 63 A 1 ATOM 475 C C . CYS A 0 63 . 4.490 -3.258 -8.917 1.00 94.50 63 A 1 ATOM 476 C CB . CYS A 0 63 . 5.331 -5.622 -9.426 1.00 94.50 63 A 1 ATOM 477 O O . CYS A 0 63 . 3.675 -2.724 -9.675 1.00 94.50 63 A 1 ATOM 478 S SG . CYS A 0 63 . 4.879 -5.759 -11.180 1.00 94.50 63 A 1 ATOM 479 N N . PHE A 0 64 . 5.477 -2.573 -8.353 1.00 94.11 64 A 1 ATOM 480 C CA . PHE A 0 64 . 5.765 -1.171 -8.607 1.00 94.11 64 A 1 ATOM 481 C C . PHE A 0 64 . 6.435 -0.982 -9.968 1.00 94.11 64 A 1 ATOM 482 C CB . PHE A 0 64 . 6.618 -0.610 -7.463 1.00 94.11 64 A 1 ATOM 483 O O . PHE A 0 64 . 7.345 -1.723 -10.357 1.00 94.11 64 A 1 ATOM 484 C CG . PHE A 0 64 . 5.984 -0.604 -6.081 1.00 94.11 64 A 1 ATOM 485 C CD1 . PHE A 0 64 . 4.588 -0.511 -5.910 1.00 94.11 64 A 1 ATOM 486 C CD2 . PHE A 0 64 . 6.812 -0.658 -4.945 1.00 94.11 64 A 1 ATOM 487 C CE1 . PHE A 0 64 . 4.029 -0.492 -4.623 1.00 94.11 64 A 1 ATOM 488 C CE2 . PHE A 0 64 . 6.254 -0.625 -3.655 1.00 94.11 64 A 1 ATOM 489 C CZ . PHE A 0 64 . 4.861 -0.539 -3.493 1.00 94.11 64 A 1 ATOM 490 N N . GLN A 0 65 . 5.959 0.032 -10.688 1.00 91.52 65 A 1 ATOM 491 C CA . GLN A 0 65 . 6.514 0.460 -11.969 1.00 91.52 65 A 1 ATOM 492 C C . GLN A 0 65 . 7.866 1.160 -11.783 1.00 91.52 65 A 1 ATOM 493 C CB . GLN A 0 65 . 5.491 1.364 -12.681 1.00 91.52 65 A 1 ATOM 494 O O . GLN A 0 65 . 8.299 1.417 -10.663 1.00 91.52 65 A 1 ATOM 495 C CG . GLN A 0 65 . 4.202 0.611 -13.055 1.00 91.52 65 A 1 ATOM 496 C CD . GLN A 0 65 . 4.444 -0.541 -14.028 1.00 91.52 65 A 1 ATOM 497 N NE2 . GLN A 0 65 . 3.706 -1.623 -13.919 1.00 91.52 65 A 1 ATOM 498 O OE1 . GLN A 0 65 . 5.306 -0.498 -14.891 1.00 91.52 65 A 1 ATOM 499 N N . LEU A 0 66 . 8.548 1.458 -12.890 1.00 91.74 66 A 1 ATOM 500 C CA . LEU A 0 66 . 9.795 2.225 -12.859 1.00 91.74 66 A 1 ATOM 501 C C . LEU A 0 66 . 9.589 3.601 -12.222 1.00 91.74 66 A 1 ATOM 502 C CB . LEU A 0 66 . 10.358 2.385 -14.279 1.00 91.74 66 A 1 ATOM 503 O O . LEU A 0 66 . 8.501 4.164 -12.299 1.00 91.74 66 A 1 ATOM 504 C CG . LEU A 0 66 . 10.685 1.061 -14.982 1.00 91.74 66 A 1 ATOM 505 C CD1 . LEU A 0 66 . 11.131 1.355 -16.414 1.00 91.74 66 A 1 ATOM 506 C CD2 . LEU A 0 66 . 11.796 0.287 -14.270 1.00 91.74 66 A 1 ATOM 507 N N . GLU A 0 67 . 10.653 4.127 -11.615 1.00 88.50 67 A 1 ATOM 508 C CA . GLU A 0 67 . 10.674 5.447 -10.966 1.00 88.50 67 A 1 ATOM 509 C C . GLU A 0 67 . 9.749 5.561 -9.738 1.00 88.50 67 A 1 ATOM 510 C CB . GLU A 0 67 . 10.494 6.578 -11.995 1.00 88.50 67 A 1 ATOM 511 O O . GLU A 0 67 . 9.496 6.654 -9.242 1.00 88.50 67 A 1 ATOM 512 C CG . GLU A 0 67 . 11.543 6.508 -13.116 1.00 88.50 67 A 1 ATOM 513 C CD . GLU A 0 67 . 11.277 7.565 -14.190 1.00 88.50 67 A 1 ATOM 514 O OE1 . GLU A 0 67 . 11.964 8.612 -14.157 1.00 88.50 67 A 1 ATOM 515 O OE2 . GLU A 0 67 . 10.425 7.297 -15.067 1.00 88.50 67 A 1 ATOM 516 N N . VAL A 0 68 . 9.280 4.424 -9.213 1.00 90.73 68 A 1 ATOM 517 C CA . VAL A 0 68 . 8.474 4.335 -7.988 1.00 90.73 68 A 1 ATOM 518 C C . VAL A 0 68 . 9.347 3.934 -6.806 1.00 90.73 68 A 1 ATOM 519 C CB . VAL A 0 68 . 7.320 3.334 -8.167 1.00 90.73 68 A 1 ATOM 520 O O . VAL A 0 68 . 10.252 3.106 -6.952 1.00 90.73 68 A 1 ATOM 521 C CG1 . VAL A 0 68 . 6.410 3.221 -6.936 1.00 90.73 68 A 1 ATOM 522 C CG2 . VAL A 0 68 . 6.418 3.720 -9.345 1.00 90.73 68 A 1 ATOM 523 N N . ASP A 0 69 . 9.039 4.487 -5.633 1.00 91.74 69 A 1 ATOM 524 C CA . ASP A 0 69 . 9.710 4.134 -4.387 1.00 91.74 69 A 1 ATOM 525 C C . ASP A 0 69 . 9.513 2.655 -4.019 1.00 91.74 69 A 1 ATOM 526 C CB . ASP A 0 69 . 9.258 5.033 -3.231 1.00 91.74 69 A 1 ATOM 527 O O . ASP A 0 69 . 8.411 2.103 -4.053 1.00 91.74 69 A 1 ATOM 528 C CG . ASP A 0 69 . 9.799 6.459 -3.350 1.00 91.74 69 A 1 ATOM 529 O OD1 . ASP A 0 69 . 11.040 6.615 -3.383 1.00 91.74 69 A 1 ATOM 530 O OD2 . ASP A 0 69 . 8.960 7.386 -3.366 1.00 91.74 69 A 1 ATOM 531 N N . CYS A 0 70 . 10.600 2.011 -3.618 1.00 93.06 70 A 1 ATOM 532 C CA . CYS A 0 70 . 10.649 0.610 -3.231 1.00 93.06 70 A 1 ATOM 533 C C . CYS A 0 70 . 11.619 0.406 -2.065 1.00 93.06 70 A 1 ATOM 534 C CB . CYS A 0 70 . 11.045 -0.221 -4.455 1.00 93.06 70 A 1 ATOM 535 O O . CYS A 0 70 . 12.535 1.194 -1.841 1.00 93.06 70 A 1 ATOM 536 S SG . CYS A 0 70 . 12.639 0.254 -5.169 1.00 93.06 70 A 1 ATOM 537 N N . GLN A 0 71 . 11.437 -0.687 -1.328 1.00 92.72 71 A 1 ATOM 538 C CA . GLN A 0 71 . 12.354 -1.117 -0.267 1.00 92.72 71 A 1 ATOM 539 C C . GLN A 0 71 . 13.118 -2.386 -0.658 1.00 92.72 71 A 1 ATOM 540 C CB . GLN A 0 71 . 11.561 -1.346 1.027 1.00 92.72 71 A 1 ATOM 541 O O . GLN A 0 71 . 14.263 -2.579 -0.253 1.00 92.72 71 A 1 ATOM 542 C CG . GLN A 0 71 . 10.842 -0.080 1.511 1.00 92.72 71 A 1 ATOM 543 C CD . GLN A 0 71 . 10.200 -0.308 2.871 1.00 92.72 71 A 1 ATOM 544 N NE2 . GLN A 0 71 . 10.743 0.255 3.929 1.00 92.72 71 A 1 ATOM 545 O OE1 . GLN A 0 71 . 9.217 -1.016 3.015 1.00 92.72 71 A 1 ATOM 546 N N . TYR A 0 72 . 12.493 -3.250 -1.459 1.00 92.27 72 A 1 ATOM 547 C CA . TYR A 0 72 . 13.012 -4.550 -1.858 1.00 92.27 72 A 1 ATOM 548 C C . TYR A 0 72 . 12.848 -4.771 -3.362 1.00 92.27 72 A 1 ATOM 549 C CB . TYR A 0 72 . 12.287 -5.660 -1.082 1.00 92.27 72 A 1 ATOM 550 O O . TYR A 0 72 . 11.834 -4.413 -3.956 1.00 92.27 72 A 1 ATOM 551 C CG . TYR A 0 72 . 12.286 -5.490 0.424 1.00 92.27 72 A 1 ATOM 552 C CD1 . TYR A 0 72 . 13.462 -5.731 1.158 1.00 92.27 72 A 1 ATOM 553 C CD2 . TYR A 0 72 . 11.116 -5.068 1.088 1.00 92.27 72 A 1 ATOM 554 C CE1 . TYR A 0 72 . 13.471 -5.559 2.555 1.00 92.27 72 A 1 ATOM 555 C CE2 . TYR A 0 72 . 11.121 -4.895 2.484 1.00 92.27 72 A 1 ATOM 556 O OH . TYR A 0 72 . 12.300 -4.974 4.568 1.00 92.27 72 A 1 ATOM 557 C CZ . TYR A 0 72 . 12.297 -5.142 3.220 1.00 92.27 72 A 1 ATOM 558 N N . ASN A 0 73 . 13.817 -5.460 -3.965 1.00 91.51 73 A 1 ATOM 559 C CA . ASN A 0 73 . 13.837 -5.807 -5.391 1.00 91.51 73 A 1 ATOM 560 C C . ASN A 0 73 . 12.554 -6.493 -5.884 1.00 91.51 73 A 1 ATOM 561 C CB . ASN A 0 73 . 15.052 -6.725 -5.611 1.00 91.51 73 A 1 ATOM 562 O O . ASN A 0 73 . 12.050 -6.157 -6.950 1.00 91.51 73 A 1 ATOM 563 C CG . ASN A 0 73 . 16.372 -5.981 -5.619 1.00 91.51 73 A 1 ATOM 564 N ND2 . ASN A 0 73 . 17.478 -6.678 -5.649 1.00 91.51 73 A 1 ATOM 565 O OD1 . ASN A 0 73 . 16.439 -4.769 -5.576 1.00 91.51 73 A 1 ATOM 566 N N . GLN A 0 74 . 12.000 -7.409 -5.084 1.00 90.57 74 A 1 ATOM 567 C CA . GLN A 0 74 . 10.784 -8.162 -5.414 1.00 90.57 74 A 1 ATOM 568 C C . GLN A 0 74 . 9.518 -7.299 -5.513 1.00 90.57 74 A 1 ATOM 569 C CB . GLN A 0 74 . 10.596 -9.280 -4.375 1.00 90.57 74 A 1 ATOM 570 O O . GLN A 0 74 . 8.493 -7.782 -5.975 1.00 90.57 74 A 1 ATOM 571 C CG . GLN A 0 74 . 10.234 -8.739 -2.978 1.00 90.57 74 A 1 ATOM 572 C CD . GLN A 0 74 . 10.246 -9.826 -1.913 1.00 90.57 74 A 1 ATOM 573 N NE2 . GLN A 0 74 . 9.211 -9.941 -1.110 1.00 90.57 74 A 1 ATOM 574 O OE1 . GLN A 0 74 . 11.197 -10.572 -1.762 1.00 90.57 74 A 1 ATOM 575 N N . GLN A 0 75 . 9.566 -6.048 -5.046 1.00 91.92 75 A 1 ATOM 576 C CA . GLN A 0 75 . 8.440 -5.128 -5.170 1.00 91.92 75 A 1 ATOM 577 C C . GLN A 0 75 . 8.360 -4.515 -6.564 1.00 91.92 75 A 1 ATOM 578 C CB . GLN A 0 75 . 8.543 -4.015 -4.119 1.00 91.92 75 A 1 ATOM 579 O O . GLN A 0 75 . 7.282 -4.113 -6.979 1.00 91.92 75 A 1 ATOM 580 C CG . GLN A 0 75 . 8.467 -4.555 -2.687 1.00 91.92 75 A 1 ATOM 581 C CD . GLN A 0 75 . 8.626 -3.431 -1.678 1.00 91.92 75 A 1 ATOM 582 N NE2 . GLN A 0 75 . 7.572 -2.979 -1.040 1.00 91.92 75 A 1 ATOM 583 O OE1 . GLN A 0 75 . 9.713 -2.932 -1.451 1.00 91.92 75 A 1 ATOM 584 N N . CYS A 0 76 . 9.478 -4.435 -7.285 1.00 94.97 76 A 1 ATOM 585 C CA . CYS A 0 76 . 9.544 -3.811 -8.598 1.00 94.97 76 A 1 ATOM 586 C C . CYS A 0 76 . 9.229 -4.821 -9.696 1.00 94.97 76 A 1 ATOM 587 C CB . CYS A 0 76 . 10.945 -3.229 -8.796 1.00 94.97 76 A 1 ATOM 588 O O . CYS A 0 76 . 9.777 -5.922 -9.698 1.00 94.97 76 A 1 ATOM 589 S SG . CYS A 0 76 . 11.403 -1.987 -7.570 1.00 94.97 76 A 1 ATOM 590 N N . CYS A 0 77 . 8.455 -4.419 -10.704 1.00 94.02 77 A 1 ATOM 591 C CA . CYS A 0 77 . 8.212 -5.263 -11.878 1.00 94.02 77 A 1 ATOM 592 C C . CYS A 0 77 . 9.504 -5.550 -12.668 1.00 94.02 77 A 1 ATOM 593 C CB . CYS A 0 77 . 7.188 -4.585 -12.792 1.00 94.02 77 A 1 ATOM 594 O O . CYS A 0 77 . 9.598 -6.552 -13.371 1.00 94.02 77 A 1 ATOM 595 S SG . CYS A 0 77 . 5.614 -4.083 -12.048 1.00 94.02 77 A 1 ATOM 596 N N . SER A 0 78 . 10.516 -4.682 -12.543 1.00 92.73 78 A 1 ATOM 597 C CA . SER A 0 78 . 11.860 -4.893 -13.095 1.00 92.73 78 A 1 ATOM 598 C C . SER A 0 78 . 12.711 -5.882 -12.290 1.00 92.73 78 A 1 ATOM 599 C CB . SER A 0 78 . 12.603 -3.556 -13.158 1.00 92.73 78 A 1 ATOM 600 O O . SER A 0 78 . 13.778 -6.279 -12.752 1.00 92.73 78 A 1 ATOM 601 O OG . SER A 0 78 . 12.771 -3.020 -11.857 1.00 92.73 78 A 1 ATOM 602 N N . GLY A 0 79 . 12.290 -6.241 -11.071 1.00 92.10 79 A 1 ATOM 603 C CA . GLY A 0 79 . 13.073 -7.046 -10.134 1.00 92.10 79 A 1 ATOM 604 C C . GLY A 0 79 . 14.282 -6.322 -9.532 1.00 92.10 79 A 1 ATOM 605 O O . GLY A 0 79 . 15.130 -6.974 -8.924 1.00 92.10 79 A 1 ATOM 606 N N . LEU A 0 80 . 14.394 -4.999 -9.695 1.00 93.49 80 A 1 ATOM 607 C CA . LEU A 0 80 . 15.521 -4.213 -9.196 1.00 93.49 80 A 1 ATOM 608 C C . LEU A 0 80 . 15.049 -2.915 -8.533 1.00 93.49 80 A 1 ATOM 609 C CB . LEU A 0 80 . 16.510 -3.969 -10.349 1.00 93.49 80 A 1 ATOM 610 O O . LEU A 0 80 . 14.520 -2.013 -9.182 1.00 93.49 80 A 1 ATOM 611 C CG . LEU A 0 80 . 17.731 -3.110 -9.970 1.00 93.49 80 A 1 ATOM 612 C CD1 . LEU A 0 80 . 18.609 -3.787 -8.915 1.00 93.49 80 A 1 ATOM 613 C CD2 . LEU A 0 80 . 18.593 -2.857 -11.206 1.00 93.49 80 A 1 ATOM 614 N N . CYS A 0 81 . 15.320 -2.828 -7.235 1.00 94.12 81 A 1 ATOM 615 C CA . CYS A 0 81 . 15.153 -1.656 -6.398 1.00 94.12 81 A 1 ATOM 616 C C . CYS A 0 81 . 16.536 -1.069 -6.097 1.00 94.12 81 A 1 ATOM 617 C CB . CYS A 0 81 . 14.428 -2.079 -5.117 1.00 94.12 81 A 1 ATOM 618 O O . CYS A 0 81 . 17.296 -1.608 -5.291 1.00 94.12 81 A 1 ATOM 619 S SG . CYS A 0 81 . 14.043 -0.682 -4.054 1.00 94.12 81 A 1 ATOM 620 N N . PHE A 0 82 . 16.892 0.030 -6.760 1.00 93.14 82 A 1 ATOM 621 C CA . PHE A 0 82 . 18.190 0.679 -6.591 1.00 93.14 82 A 1 ATOM 622 C C . PHE A 0 82 . 18.001 2.088 -6.043 1.00 93.14 82 A 1 ATOM 623 C CB . PHE A 0 82 . 18.947 0.698 -7.916 1.00 93.14 82 A 1 ATOM 624 O O . PHE A 0 82 . 17.212 2.862 -6.573 1.00 93.14 82 A 1 ATOM 625 C CG . PHE A 0 82 . 20.328 1.310 -7.806 1.00 93.14 82 A 1 ATOM 626 C CD1 . PHE A 0 82 . 20.560 2.613 -8.282 1.00 93.14 82 A 1 ATOM 627 C CD2 . PHE A 0 82 . 21.375 0.584 -7.211 1.00 93.14 82 A 1 ATOM 628 C CE1 . PHE A 0 82 . 21.840 3.184 -8.173 1.00 93.14 82 A 1 ATOM 629 C CE2 . PHE A 0 82 . 22.654 1.156 -7.099 1.00 93.14 82 A 1 ATOM 630 C CZ . PHE A 0 82 . 22.889 2.454 -7.583 1.00 93.14 82 A 1 ATOM 631 N N . LYS A 0 83 . 18.734 2.432 -4.976 1.00 92.48 83 A 1 ATOM 632 C CA . LYS A 0 83 . 18.570 3.711 -4.258 1.00 92.48 83 A 1 ATOM 633 C C . LYS A 0 83 . 17.108 3.992 -3.863 1.00 92.48 83 A 1 ATOM 634 C CB . LYS A 0 83 . 19.186 4.870 -5.067 1.00 92.48 83 A 1 ATOM 635 O O . LYS A 0 83 . 16.666 5.132 -3.923 1.00 92.48 83 A 1 ATOM 636 C CG . LYS A 0 83 . 20.705 4.763 -5.214 1.00 92.48 83 A 1 ATOM 637 C CD . LYS A 0 83 . 21.214 5.946 -6.046 1.00 92.48 83 A 1 ATOM 638 C CE . LYS A 0 83 . 22.741 5.921 -6.126 1.00 92.48 83 A 1 ATOM 639 N NZ . LYS A 0 83 . 23.254 7.072 -6.907 1.00 92.48 83 A 1 ATOM 640 N N . ASN A 0 84 . 16.394 2.947 -3.437 1.00 93.03 84 A 1 ATOM 641 C CA . ASN A 0 84 . 14.968 2.964 -3.092 1.00 93.03 84 A 1 ATOM 642 C C . ASN A 0 84 . 14.023 3.296 -4.251 1.00 93.03 84 A 1 ATOM 643 C CB . ASN A 0 84 . 14.690 3.842 -1.859 1.00 93.03 84 A 1 ATOM 644 O O . ASN A 0 84 . 12.883 3.647 -3.998 1.00 93.03 84 A 1 ATOM 645 C CG . ASN A 0 84 . 15.579 3.516 -0.686 1.00 93.03 84 A 1 ATOM 646 N ND2 . ASN A 0 84 . 16.409 4.445 -0.274 1.00 93.03 84 A 1 ATOM 647 O OD1 . ASN A 0 84 . 15.583 2.427 -0.141 1.00 93.03 84 A 1 ATOM 648 N N . VAL A 0 85 . 14.461 3.174 -5.505 1.00 93.03 85 A 1 ATOM 649 C CA . VAL A 0 85 . 13.616 3.424 -6.676 1.00 93.03 85 A 1 ATOM 650 C C . VAL A 0 85 . 13.679 2.236 -7.632 1.00 93.03 85 A 1 ATOM 651 C CB . VAL A 0 85 . 14.007 4.748 -7.355 1.00 93.03 85 A 1 ATOM 652 O O . VAL A 0 85 . 14.748 1.669 -7.884 1.00 93.03 85 A 1 ATOM 653 C CG1 . VAL A 0 85 . 13.120 5.036 -8.564 1.00 93.03 85 A 1 ATOM 654 C CG2 . VAL A 0 85 . 13.865 5.938 -6.395 1.00 93.03 85 A 1 ATOM 655 N N . CYS A 0 86 . 12.530 1.841 -8.176 1.00 94.17 86 A 1 ATOM 656 C CA . CYS A 0 86 . 12.456 0.788 -9.178 1.00 94.17 86 A 1 ATOM 657 C C . CYS A 0 86 . 13.128 1.234 -10.481 1.00 94.17 86 A 1 ATOM 658 C CB . CYS A 0 86 . 10.998 0.399 -9.408 1.00 94.17 86 A 1 ATOM 659 O O . CYS A 0 86 . 12.748 2.235 -11.088 1.00 94.17 86 A 1 ATOM 660 S SG . CYS A 0 86 . 10.192 -0.415 -8.008 1.00 94.17 86 A 1 ATOM 661 N N . THR A 0 87 . 14.118 0.471 -10.937 1.00 92.89 87 A 1 ATOM 662 C CA . THR A 0 87 . 14.887 0.762 -12.158 1.00 92.89 87 A 1 ATOM 663 C C . THR A 0 87 . 15.094 -0.506 -12.981 1.00 92.89 87 A 1 ATOM 664 C CB . THR A 0 87 . 16.223 1.448 -11.825 1.00 92.89 87 A 1 ATOM 665 O O . THR A 0 87 . 15.015 -1.612 -12.450 1.00 92.89 87 A 1 ATOM 666 C CG2 . THR A 0 87 . 17.149 0.591 -10.970 1.00 92.89 87 A 1 ATOM 667 O OG1 . THR A 0 87 . 16.940 1.729 -13.009 1.00 92.89 87 A 1 ATOM 668 N N . MET A 0 88 . 15.366 -0.368 -14.281 1.00 87.79 88 A 1 ATOM 669 C CA . MET A 0 88 . 15.800 -1.486 -15.134 1.00 87.79 88 A 1 ATOM 670 C C . MET A 0 88 . 17.321 -1.658 -15.174 1.00 87.79 88 A 1 ATOM 671 C CB . MET A 0 88 . 15.274 -1.310 -16.564 1.00 87.79 88 A 1 ATOM 672 O O . MET A 0 88 . 17.810 -2.702 -15.595 1.00 87.79 88 A 1 ATOM 673 C CG . MET A 0 88 . 13.762 -1.521 -16.652 1.00 87.79 88 A 1 ATOM 674 S SD . MET A 0 88 . 13.254 -2.547 -18.056 1.00 87.79 88 A 1 ATOM 675 C CE . MET A 0 88 . 11.453 -2.466 -17.889 1.00 87.79 88 A 1 ATOM 676 N N . LEU A 0 89 . 18.077 -0.638 -14.762 1.00 80.94 89 A 1 ATOM 677 C CA . LEU A 0 89 . 19.532 -0.609 -14.870 1.00 80.94 89 A 1 ATOM 678 C C . LEU A 0 89 . 20.133 -0.241 -13.515 1.00 80.94 89 A 1 ATOM 679 C CB . LEU A 0 89 . 19.949 0.393 -15.966 1.00 80.94 89 A 1 ATOM 680 O O . LEU A 0 89 . 19.816 0.808 -12.952 1.00 80.94 89 A 1 ATOM 681 C CG . LEU A 0 89 . 19.503 0.016 -17.394 1.00 80.94 89 A 1 ATOM 682 C CD1 . LEU A 0 89 . 19.712 1.203 -18.333 1.00 80.94 89 A 1 ATOM 683 C CD2 . LEU A 0 89 . 20.289 -1.176 -17.946 1.00 80.94 89 A 1 ATOM 684 N N . SER A 0 90 . 21.031 -1.089 -13.016 1.00 68.89 90 A 1 ATOM 685 C CA . SER A 0 90 . 21.976 -0.670 -11.985 1.00 68.89 90 A 1 ATOM 686 C C . SER A 0 90 . 23.060 0.150 -12.687 1.00 68.89 90 A 1 ATOM 687 C CB . SER A 0 90 . 22.588 -1.881 -11.273 1.00 68.89 90 A 1 ATOM 688 O O . SER A 0 90 . 23.665 -0.383 -13.621 1.00 68.89 90 A 1 ATOM 689 O OG . SER A 0 90 . 23.369 -1.454 -10.174 1.00 68.89 90 A 1 ATOM 690 N N . PRO A 0 91 . 23.316 1.417 -12.308 1.00 65.79 91 A 1 ATOM 691 C CA . PRO A 0 91 . 24.505 2.103 -12.792 1.00 65.79 91 A 1 ATOM 692 C C . PRO A 0 91 . 25.719 1.252 -12.405 1.00 65.79 91 A 1 ATOM 693 C CB . PRO A 0 91 . 24.492 3.492 -12.154 1.00 65.79 91 A 1 ATOM 694 O O . PRO A 0 91 . 25.840 0.836 -11.250 1.00 65.79 91 A 1 ATOM 695 C CG . PRO A 0 91 . 23.653 3.298 -10.895 1.00 65.79 91 A 1 ATOM 696 C CD . PRO A 0 91 . 22.672 2.180 -11.255 1.00 65.79 91 A 1 ATOM 697 N N . ASN A 0 92 . 26.517 0.917 -13.417 1.00 61.43 92 A 1 ATOM 698 C CA . ASN A 0 92 . 27.769 0.173 -13.303 1.00 61.43 92 A 1 ATOM 699 C C . ASN A 0 92 . 28.832 1.064 -12.652 1.00 61.43 92 A 1 ATOM 700 C CB . ASN A 0 92 . 28.143 -0.315 -14.721 1.00 61.43 92 A 1 ATOM 701 O O . ASN A 0 92 . 28.882 2.256 -13.040 1.00 61.43 92 A 1 ATOM 702 C CG . ASN A 0 92 . 29.077 -1.514 -14.798 1.00 61.43 92 A 1 ATOM 703 N ND2 . ASN A 0 92 . 29.157 -2.122 -15.959 1.00 61.43 92 A 1 ATOM 704 O OD1 . ASN A 0 92 . 29.718 -1.969 -13.872 1.00 61.43 92 A 1 ATOM 705 O OXT . ASN A 0 92 . 29.535 0.546 -11.764 1.00 61.43 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 83.76 # loop_ _atom_type.symbol C N O S #