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 GLN 0 3 SER 0 4 VAL 0 5 ARG 0 6 LEU 0 7 LEU 0 8 ASN 0 9 LEU 0 10 LEU 0 11 PRO 0 12 ARG 0 13 GLY 0 14 ASN 0 15 VAL 0 16 THR 0 17 VAL 0 18 CYS 0 19 SER 0 20 LEU 0 21 ARG 0 22 LEU 0 23 ASP 0 24 SER 0 25 THR 0 26 THR 0 27 LYS 0 28 SER 0 29 SER 0 30 SER 0 31 PRO 0 32 GLN 0 33 SER 0 34 PRO 0 35 ASN 0 36 SER 0 37 LYS 0 38 THR 0 39 GLN 0 40 LYS 0 41 THR 0 42 VAL 0 43 GLU 0 44 ARG 0 45 ILE 0 46 LYS 0 47 ASP 0 48 ASP 0 49 LYS 0 50 LYS 0 51 LYS 0 52 SER 0 53 THR 0 54 ARG 0 55 THR 0 56 ILE 0 57 TYR 0 58 ASN 0 59 VAL 0 60 PRO 0 61 GLU 0 62 TYR 0 63 TYR 0 64 GLU 0 65 HIS 0 66 LYS 0 67 THR 0 68 PHE 0 69 CYS 0 70 PHE 0 71 TYR 0 72 ASP 0 73 LEU 0 74 GLU 0 75 MET 0 76 GLN 0 77 LEU 0 78 LYS 0 79 ARG 0 80 PHE 0 81 ARG 0 82 LEU 0 83 PRO 0 84 GLN 0 85 PRO 0 86 ASN 0 87 PRO 0 88 SER # 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 . 29.366 16.527 -37.450 1.00 57.65 1 A 1 ATOM 2 C CA . MET A 0 1 . 28.086 15.792 -37.524 1.00 57.65 1 A 1 ATOM 3 C C . MET A 0 1 . 27.006 16.687 -36.938 1.00 57.65 1 A 1 ATOM 4 C CB . MET A 0 1 . 28.171 14.442 -36.792 1.00 57.65 1 A 1 ATOM 5 O O . MET A 0 1 . 26.944 16.844 -35.728 1.00 57.65 1 A 1 ATOM 6 C CG . MET A 0 1 . 29.295 13.553 -37.348 1.00 57.65 1 A 1 ATOM 7 S SD . MET A 0 1 . 28.818 11.832 -37.618 1.00 57.65 1 A 1 ATOM 8 C CE . MET A 0 1 . 28.323 11.887 -39.363 1.00 57.65 1 A 1 ATOM 9 N N . GLN A 0 2 . 26.270 17.396 -37.791 1.00 49.85 2 A 1 ATOM 10 C CA . GLN A 0 2 . 25.217 18.335 -37.402 1.00 49.85 2 A 1 ATOM 11 C C . GLN A 0 2 . 23.960 17.952 -38.179 1.00 49.85 2 A 1 ATOM 12 C CB . GLN A 0 2 . 25.611 19.783 -37.763 1.00 49.85 2 A 1 ATOM 13 O O . GLN A 0 2 . 24.042 17.835 -39.397 1.00 49.85 2 A 1 ATOM 14 C CG . GLN A 0 2 . 26.722 20.398 -36.895 1.00 49.85 2 A 1 ATOM 15 C CD . GLN A 0 2 . 27.104 21.812 -37.344 1.00 49.85 2 A 1 ATOM 16 N NE2 . GLN A 0 2 . 28.117 22.411 -36.758 1.00 49.85 2 A 1 ATOM 17 O OE1 . GLN A 0 2 . 26.511 22.405 -38.224 1.00 49.85 2 A 1 ATOM 18 N N . SER A 0 3 . 22.847 17.744 -37.472 1.00 61.17 3 A 1 ATOM 19 C CA . SER A 0 3 . 21.458 17.992 -37.898 1.00 61.17 3 A 1 ATOM 20 C C . SER A 0 3 . 20.518 16.968 -37.263 1.00 61.17 3 A 1 ATOM 21 C CB . SER A 0 3 . 21.222 17.991 -39.418 1.00 61.17 3 A 1 ATOM 22 O O . SER A 0 3 . 20.388 15.851 -37.744 1.00 61.17 3 A 1 ATOM 23 O OG . SER A 0 3 . 19.900 18.428 -39.660 1.00 61.17 3 A 1 ATOM 24 N N . VAL A 0 4 . 19.844 17.375 -36.188 1.00 70.13 4 A 1 ATOM 25 C CA . VAL A 0 4 . 18.474 16.945 -35.880 1.00 70.13 4 A 1 ATOM 26 C C . VAL A 0 4 . 17.806 18.090 -35.121 1.00 70.13 4 A 1 ATOM 27 C CB . VAL A 0 4 . 18.340 15.600 -35.121 1.00 70.13 4 A 1 ATOM 28 O O . VAL A 0 4 . 17.840 18.181 -33.898 1.00 70.13 4 A 1 ATOM 29 C CG1 . VAL A 0 4 . 18.188 14.403 -36.068 1.00 70.13 4 A 1 ATOM 30 C CG2 . VAL A 0 4 . 19.481 15.317 -34.138 1.00 70.13 4 A 1 ATOM 31 N N . ARG A 0 5 . 17.239 19.030 -35.879 1.00 62.43 5 A 1 ATOM 32 C CA . ARG A 0 5 . 16.166 19.909 -35.408 1.00 62.43 5 A 1 ATOM 33 C C . ARG A 0 5 . 14.923 19.525 -36.196 1.00 62.43 5 A 1 ATOM 34 C CB . ARG A 0 5 . 16.499 21.399 -35.629 1.00 62.43 5 A 1 ATOM 35 O O . ARG A 0 5 . 14.789 19.951 -37.333 1.00 62.43 5 A 1 ATOM 36 C CG . ARG A 0 5 . 17.557 21.969 -34.676 1.00 62.43 5 A 1 ATOM 37 C CD . ARG A 0 5 . 17.661 23.488 -34.888 1.00 62.43 5 A 1 ATOM 38 N NE . ARG A 0 5 . 18.670 24.110 -34.008 1.00 62.43 5 A 1 ATOM 39 N NH1 . ARG A 0 5 . 18.362 26.285 -34.692 1.00 62.43 5 A 1 ATOM 40 N NH2 . ARG A 0 5 . 19.902 25.827 -33.150 1.00 62.43 5 A 1 ATOM 41 C CZ . ARG A 0 5 . 18.971 25.397 -33.954 1.00 62.43 5 A 1 ATOM 42 N N . LEU A 0 6 . 14.019 18.755 -35.600 1.00 59.68 6 A 1 ATOM 43 C CA . LEU A 0 6 . 12.632 18.708 -36.054 1.00 59.68 6 A 1 ATOM 44 C C . LEU A 0 6 . 11.714 18.670 -34.827 1.00 59.68 6 A 1 ATOM 45 C CB . LEU A 0 6 . 12.387 17.592 -37.096 1.00 59.68 6 A 1 ATOM 46 O O . LEU A 0 6 . 11.315 17.628 -34.331 1.00 59.68 6 A 1 ATOM 47 C CG . LEU A 0 6 . 11.549 18.107 -38.291 1.00 59.68 6 A 1 ATOM 48 C CD1 . LEU A 0 6 . 12.428 18.741 -39.374 1.00 59.68 6 A 1 ATOM 49 C CD2 . LEU A 0 6 . 10.754 16.979 -38.939 1.00 59.68 6 A 1 ATOM 50 N N . LEU A 0 7 . 11.504 19.871 -34.288 1.00 61.49 7 A 1 ATOM 51 C CA . LEU A 0 7 . 10.189 20.408 -33.955 1.00 61.49 7 A 1 ATOM 52 C C . LEU A 0 7 . 9.232 19.419 -33.258 1.00 61.49 7 A 1 ATOM 53 C CB . LEU A 0 7 . 9.598 20.989 -35.260 1.00 61.49 7 A 1 ATOM 54 O O . LEU A 0 7 . 8.423 18.755 -33.897 1.00 61.49 7 A 1 ATOM 55 C CG . LEU A 0 7 . 10.463 22.038 -35.992 1.00 61.49 7 A 1 ATOM 56 C CD1 . LEU A 0 7 . 10.018 22.177 -37.444 1.00 61.49 7 A 1 ATOM 57 C CD2 . LEU A 0 7 . 10.395 23.407 -35.316 1.00 61.49 7 A 1 ATOM 58 N N . ASN A 0 8 . 9.237 19.448 -31.921 1.00 60.94 8 A 1 ATOM 59 C CA . ASN A 0 8 . 8.058 19.123 -31.115 1.00 60.94 8 A 1 ATOM 60 C C . ASN A 0 8 . 6.970 20.174 -31.409 1.00 60.94 8 A 1 ATOM 61 C CB . ASN A 0 8 . 8.445 19.081 -29.622 1.00 60.94 8 A 1 ATOM 62 O O . ASN A 0 8 . 6.776 21.121 -30.648 1.00 60.94 8 A 1 ATOM 63 C CG . ASN A 0 8 . 9.160 17.802 -29.235 1.00 60.94 8 A 1 ATOM 64 N ND2 . ASN A 0 8 . 10.205 17.876 -28.443 1.00 60.94 8 A 1 ATOM 65 O OD1 . ASN A 0 8 . 8.771 16.715 -29.607 1.00 60.94 8 A 1 ATOM 66 N N . LEU A 0 9 . 6.320 20.041 -32.564 1.00 56.72 9 A 1 ATOM 67 C CA . LEU A 0 9 . 5.248 20.900 -33.057 1.00 56.72 9 A 1 ATOM 68 C C . LEU A 0 9 . 3.909 20.177 -32.873 1.00 56.72 9 A 1 ATOM 69 C CB . LEU A 0 9 . 5.542 21.315 -34.520 1.00 56.72 9 A 1 ATOM 70 O O . LEU A 0 9 . 3.201 19.903 -33.835 1.00 56.72 9 A 1 ATOM 71 C CG . LEU A 0 9 . 5.152 22.766 -34.847 1.00 56.72 9 A 1 ATOM 72 C CD1 . LEU A 0 9 . 6.185 23.745 -34.279 1.00 56.72 9 A 1 ATOM 73 C CD2 . LEU A 0 9 . 5.091 22.981 -36.359 1.00 56.72 9 A 1 ATOM 74 N N . LEU A 0 10 . 3.568 19.825 -31.631 1.00 61.08 10 A 1 ATOM 75 C CA . LEU A 0 10 . 2.181 19.501 -31.305 1.00 61.08 10 A 1 ATOM 76 C C . LEU A 0 10 . 1.547 20.734 -30.658 1.00 61.08 10 A 1 ATOM 77 C CB . LEU A 0 10 . 2.035 18.231 -30.450 1.00 61.08 10 A 1 ATOM 78 O O . LEU A 0 10 . 2.030 21.185 -29.614 1.00 61.08 10 A 1 ATOM 79 C CG . LEU A 0 10 . 1.766 16.978 -31.309 1.00 61.08 10 A 1 ATOM 80 C CD1 . LEU A 0 10 . 3.032 16.475 -32.002 1.00 61.08 10 A 1 ATOM 81 C CD2 . LEU A 0 10 . 1.204 15.857 -30.438 1.00 61.08 10 A 1 ATOM 82 N N . PRO A 0 11 . 0.485 21.302 -31.253 1.00 61.65 11 A 1 ATOM 83 C CA . PRO A 0 11 . -0.221 22.416 -30.650 1.00 61.65 11 A 1 ATOM 84 C C . PRO A 0 11 . -0.809 21.946 -29.319 1.00 61.65 11 A 1 ATOM 85 C CB . PRO A 0 11 . -1.280 22.838 -31.676 1.00 61.65 11 A 1 ATOM 86 O O . PRO A 0 11 . -1.615 21.017 -29.272 1.00 61.65 11 A 1 ATOM 87 C CG . PRO A 0 11 . -1.538 21.568 -32.486 1.00 61.65 11 A 1 ATOM 88 C CD . PRO A 0 11 . -0.196 20.846 -32.457 1.00 61.65 11 A 1 ATOM 89 N N . ARG A 0 12 . -0.419 22.600 -28.219 1.00 63.32 12 A 1 ATOM 90 C CA . ARG A 0 12 . -1.148 22.512 -26.950 1.00 63.32 12 A 1 ATOM 91 C C . ARG A 0 12 . -2.457 23.280 -27.106 1.00 63.32 12 A 1 ATOM 92 C CB . ARG A 0 12 . -0.292 22.993 -25.765 1.00 63.32 12 A 1 ATOM 93 O O . ARG A 0 12 . -2.582 24.414 -26.662 1.00 63.32 12 A 1 ATOM 94 C CG . ARG A 0 12 . 0.855 22.010 -25.488 1.00 63.32 12 A 1 ATOM 95 C CD . ARG A 0 12 . 1.398 22.162 -24.064 1.00 63.32 12 A 1 ATOM 96 N NE . ARG A 0 12 . 2.279 21.026 -23.725 1.00 63.32 12 A 1 ATOM 97 N NH1 . ARG A 0 12 . 4.132 22.188 -23.020 1.00 63.32 12 A 1 ATOM 98 N NH2 . ARG A 0 12 . 4.167 19.959 -23.041 1.00 63.32 12 A 1 ATOM 99 C CZ . ARG A 0 12 . 3.515 21.066 -23.265 1.00 63.32 12 A 1 ATOM 100 N N . GLY A 0 13 . -3.397 22.680 -27.830 1.00 61.22 13 A 1 ATOM 101 C CA . GLY A 0 13 . -4.775 23.137 -27.889 1.00 61.22 13 A 1 ATOM 102 C C . GLY A 0 13 . -5.450 22.881 -26.545 1.00 61.22 13 A 1 ATOM 103 O O . GLY A 0 13 . -5.351 21.787 -25.991 1.00 61.22 13 A 1 ATOM 104 N N . ASN A 0 14 . -6.121 23.902 -26.020 1.00 67.52 14 A 1 ATOM 105 C CA . ASN A 0 14 . -6.986 23.787 -24.854 1.00 67.52 14 A 1 ATOM 106 C C . ASN A 0 14 . -8.141 22.838 -25.201 1.00 67.52 14 A 1 ATOM 107 C CB . ASN A 0 14 . -7.494 25.194 -24.484 1.00 67.52 14 A 1 ATOM 108 O O . ASN A 0 14 . -8.989 23.170 -26.026 1.00 67.52 14 A 1 ATOM 109 C CG . ASN A 0 14 . -6.394 26.125 -24.009 1.00 67.52 14 A 1 ATOM 110 N ND2 . ASN A 0 14 . -6.541 27.413 -24.217 1.00 67.52 14 A 1 ATOM 111 O OD1 . ASN A 0 14 . -5.397 25.720 -23.440 1.00 67.52 14 A 1 ATOM 112 N N . VAL A 0 15 . -8.173 21.649 -24.603 1.00 60.20 15 A 1 ATOM 113 C CA . VAL A 0 15 . -9.299 20.725 -24.768 1.00 60.20 15 A 1 ATOM 114 C C . VAL A 0 15 . -10.425 21.193 -23.847 1.00 60.20 15 A 1 ATOM 115 C CB . VAL A 0 15 . -8.897 19.257 -24.515 1.00 60.20 15 A 1 ATOM 116 O O . VAL A 0 15 . -10.423 20.918 -22.649 1.00 60.20 15 A 1 ATOM 117 C CG1 . VAL A 0 15 . -10.051 18.312 -24.879 1.00 60.20 15 A 1 ATOM 118 C CG2 . VAL A 0 15 . -7.683 18.845 -25.360 1.00 60.20 15 A 1 ATOM 119 N N . THR A 0 16 . -11.390 21.925 -24.399 1.00 65.48 16 A 1 ATOM 120 C CA . THR A 0 16 . -12.689 22.147 -23.755 1.00 65.48 16 A 1 ATOM 121 C C . THR A 0 16 . -13.496 20.860 -23.892 1.00 65.48 16 A 1 ATOM 122 C CB . THR A 0 16 . -13.431 23.340 -24.378 1.00 65.48 16 A 1 ATOM 123 O O . THR A 0 16 . -14.041 20.565 -24.952 1.00 65.48 16 A 1 ATOM 124 C CG2 . THR A 0 16 . -14.731 23.669 -23.643 1.00 65.48 16 A 1 ATOM 125 O OG1 . THR A 0 16 . -12.624 24.493 -24.304 1.00 65.48 16 A 1 ATOM 126 N N . VAL A 0 17 . -13.538 20.051 -22.833 1.00 66.17 17 A 1 ATOM 127 C CA . VAL A 0 17 . -14.340 18.823 -22.808 1.00 66.17 17 A 1 ATOM 128 C C . VAL A 0 17 . -15.809 19.223 -22.628 1.00 66.17 17 A 1 ATOM 129 C CB . VAL A 0 17 . -13.855 17.833 -21.722 1.00 66.17 17 A 1 ATOM 130 O O . VAL A 0 17 . -16.256 19.505 -21.517 1.00 66.17 17 A 1 ATOM 131 C CG1 . VAL A 0 17 . -14.418 16.433 -21.999 1.00 66.17 17 A 1 ATOM 132 C CG2 . VAL A 0 17 . -12.325 17.706 -21.661 1.00 66.17 17 A 1 ATOM 133 N N . CYS A 0 18 . -16.557 19.317 -23.731 1.00 59.01 18 A 1 ATOM 134 C CA . CYS A 0 18 . -18.005 19.521 -23.700 1.00 59.01 18 A 1 ATOM 135 C C . CYS A 0 18 . -18.695 18.354 -22.978 1.00 59.01 18 A 1 ATOM 136 C CB . CYS A 0 18 . -18.553 19.697 -25.124 1.00 59.01 18 A 1 ATOM 137 O O . CYS A 0 18 . -18.419 17.183 -23.236 1.00 59.01 18 A 1 ATOM 138 S SG . CYS A 0 18 . -18.261 21.399 -25.684 1.00 59.01 18 A 1 ATOM 139 N N . SER A 0 19 . -19.604 18.690 -22.063 1.00 61.74 19 A 1 ATOM 140 C CA . SER A 0 19 . -20.353 17.753 -21.230 1.00 61.74 19 A 1 ATOM 141 C C . SER A 0 19 . -21.322 16.906 -22.062 1.00 61.74 19 A 1 ATOM 142 C CB . SER A 0 19 . -21.138 18.541 -20.169 1.00 61.74 19 A 1 ATOM 143 O O . SER A 0 19 . -22.381 17.385 -22.461 1.00 61.74 19 A 1 ATOM 144 O OG . SER A 0 19 . -20.321 19.506 -19.529 1.00 61.74 19 A 1 ATOM 145 N N . LEU A 0 20 . -21.003 15.629 -22.271 1.00 58.85 20 A 1 ATOM 146 C CA . LEU A 0 20 . -21.991 14.631 -22.674 1.00 58.85 20 A 1 ATOM 147 C C . LEU A 0 20 . -22.689 14.127 -21.406 1.00 58.85 20 A 1 ATOM 148 C CB . LEU A 0 20 . -21.320 13.508 -23.486 1.00 58.85 20 A 1 ATOM 149 O O . LEU A 0 20 . -22.136 13.331 -20.649 1.00 58.85 20 A 1 ATOM 150 C CG . LEU A 0 20 . -20.774 13.961 -24.855 1.00 58.85 20 A 1 ATOM 151 C CD1 . LEU A 0 20 . -19.978 12.821 -25.491 1.00 58.85 20 A 1 ATOM 152 C CD2 . LEU A 0 20 . -21.887 14.363 -25.828 1.00 58.85 20 A 1 ATOM 153 N N . ARG A 0 21 . -23.899 14.634 -21.150 1.00 59.39 21 A 1 ATOM 154 C CA . ARG A 0 21 . -24.834 14.002 -20.214 1.00 59.39 21 A 1 ATOM 155 C C . ARG A 0 21 . -25.365 12.739 -20.891 1.00 59.39 21 A 1 ATOM 156 C CB . ARG A 0 21 . -25.985 14.957 -19.840 1.00 59.39 21 A 1 ATOM 157 O O . ARG A 0 21 . -26.107 12.833 -21.861 1.00 59.39 21 A 1 ATOM 158 C CG . ARG A 0 21 . -25.553 16.072 -18.876 1.00 59.39 21 A 1 ATOM 159 C CD . ARG A 0 21 . -26.764 16.926 -18.470 1.00 59.39 21 A 1 ATOM 160 N NE . ARG A 0 21 . -26.398 17.974 -17.492 1.00 59.39 21 A 1 ATOM 161 N NH1 . ARG A 0 21 . -25.959 19.684 -18.964 1.00 59.39 21 A 1 ATOM 162 N NH2 . ARG A 0 21 . -25.758 20.038 -16.772 1.00 59.39 21 A 1 ATOM 163 C CZ . ARG A 0 21 . -26.043 19.221 -17.748 1.00 59.39 21 A 1 ATOM 164 N N . LEU A 0 22 . -24.944 11.573 -20.408 1.00 62.01 22 A 1 ATOM 165 C CA . LEU A 0 22 . -25.636 10.313 -20.662 1.00 62.01 22 A 1 ATOM 166 C C . LEU A 0 22 . -26.699 10.152 -19.572 1.00 62.01 22 A 1 ATOM 167 C CB . LEU A 0 22 . -24.646 9.125 -20.679 1.00 62.01 22 A 1 ATOM 168 O O . LEU A 0 22 . -26.373 9.839 -18.427 1.00 62.01 22 A 1 ATOM 169 C CG . LEU A 0 22 . -24.389 8.546 -22.081 1.00 62.01 22 A 1 ATOM 170 C CD1 . LEU A 0 22 . -23.508 9.465 -22.928 1.00 62.01 22 A 1 ATOM 171 C CD2 . LEU A 0 22 . -23.701 7.185 -21.962 1.00 62.01 22 A 1 ATOM 172 N N . ASP A 0 23 . -27.962 10.352 -19.934 1.00 49.07 23 A 1 ATOM 173 C CA . ASP A 0 23 . -29.094 9.934 -19.116 1.00 49.07 23 A 1 ATOM 174 C C . ASP A 0 23 . -29.259 8.416 -19.274 1.00 49.07 23 A 1 ATOM 175 C CB . ASP A 0 23 . -30.364 10.711 -19.507 1.00 49.07 23 A 1 ATOM 176 O O . ASP A 0 23 . -29.794 7.925 -20.266 1.00 49.07 23 A 1 ATOM 177 C CG . ASP A 0 23 . -30.313 12.191 -19.105 1.00 49.07 23 A 1 ATOM 178 O OD1 . ASP A 0 23 . -29.728 12.494 -18.038 1.00 49.07 23 A 1 ATOM 179 O OD2 . ASP A 0 23 . -30.867 13.017 -19.861 1.00 49.07 23 A 1 ATOM 180 N N . SER A 0 24 . -28.764 7.655 -18.297 1.00 53.40 24 A 1 ATOM 181 C CA . SER A 0 24 . -29.129 6.248 -18.124 1.00 53.40 24 A 1 ATOM 182 C C . SER A 0 24 . -29.811 6.091 -16.773 1.00 53.40 24 A 1 ATOM 183 C CB . SER A 0 24 . -27.955 5.288 -18.350 1.00 53.40 24 A 1 ATOM 184 O O . SER A 0 24 . -29.214 6.178 -15.702 1.00 53.40 24 A 1 ATOM 185 O OG . SER A 0 24 . -26.873 5.537 -17.481 1.00 53.40 24 A 1 ATOM 186 N N . THR A 0 25 . -31.124 5.908 -16.828 1.00 44.61 25 A 1 ATOM 187 C CA . THR A 0 25 . -31.938 5.580 -15.668 1.00 44.61 25 A 1 ATOM 188 C C . THR A 0 25 . -31.805 4.084 -15.401 1.00 44.61 25 A 1 ATOM 189 C CB . THR A 0 25 . -33.401 5.997 -15.890 1.00 44.61 25 A 1 ATOM 190 O O . THR A 0 25 . -32.610 3.280 -15.864 1.00 44.61 25 A 1 ATOM 191 C CG2 . THR A 0 25 . -33.548 7.504 -16.106 1.00 44.61 25 A 1 ATOM 192 O OG1 . THR A 0 25 . -33.925 5.350 -17.024 1.00 44.61 25 A 1 ATOM 193 N N . THR A 0 26 . -30.788 3.685 -14.645 1.00 48.88 26 A 1 ATOM 194 C CA . THR A 0 26 . -30.755 2.370 -13.996 1.00 48.88 26 A 1 ATOM 195 C C . THR A 0 26 . -30.470 2.587 -12.524 1.00 48.88 26 A 1 ATOM 196 C CB . THR A 0 26 . -29.759 1.388 -14.626 1.00 48.88 26 A 1 ATOM 197 O O . THR A 0 26 . -29.447 3.156 -12.159 1.00 48.88 26 A 1 ATOM 198 C CG2 . THR A 0 26 . -30.185 0.986 -16.037 1.00 48.88 26 A 1 ATOM 199 O OG1 . THR A 0 26 . -28.471 1.940 -14.705 1.00 48.88 26 A 1 ATOM 200 N N . LYS A 0 27 . -31.421 2.174 -11.686 1.00 42.26 27 A 1 ATOM 201 C CA . LYS A 0 27 . -31.371 2.219 -10.225 1.00 42.26 27 A 1 ATOM 202 C C . LYS A 0 27 . -30.059 1.603 -9.712 1.00 42.26 27 A 1 ATOM 203 C CB . LYS A 0 27 . -32.571 1.418 -9.678 1.00 42.26 27 A 1 ATOM 204 O O . LYS A 0 27 . -29.983 0.396 -9.527 1.00 42.26 27 A 1 ATOM 205 C CG . LYS A 0 27 . -33.954 2.026 -9.961 1.00 42.26 27 A 1 ATOM 206 C CD . LYS A 0 27 . -35.052 1.046 -9.513 1.00 42.26 27 A 1 ATOM 207 C CE . LYS A 0 27 . -36.449 1.652 -9.698 1.00 42.26 27 A 1 ATOM 208 N NZ . LYS A 0 27 . -37.518 0.692 -9.318 1.00 42.26 27 A 1 ATOM 209 N N . SER A 0 28 . -29.053 2.425 -9.443 1.00 47.65 28 A 1 ATOM 210 C CA . SER A 0 28 . -27.927 2.070 -8.583 1.00 47.65 28 A 1 ATOM 211 C C . SER A 0 28 . -27.877 3.095 -7.465 1.00 47.65 28 A 1 ATOM 212 C CB . SER A 0 28 . -26.605 1.972 -9.352 1.00 47.65 28 A 1 ATOM 213 O O . SER A 0 28 . -27.692 4.288 -7.709 1.00 47.65 28 A 1 ATOM 214 O OG . SER A 0 28 . -26.197 3.226 -9.853 1.00 47.65 28 A 1 ATOM 215 N N . SER A 0 29 . -28.113 2.631 -6.244 1.00 47.38 29 A 1 ATOM 216 C CA . SER A 0 29 . -27.920 3.411 -5.029 1.00 47.38 29 A 1 ATOM 217 C C . SER A 0 29 . -26.562 4.106 -5.073 1.00 47.38 29 A 1 ATOM 218 C CB . SER A 0 29 . -27.977 2.463 -3.823 1.00 47.38 29 A 1 ATOM 219 O O . SER A 0 29 . -25.554 3.469 -5.386 1.00 47.38 29 A 1 ATOM 220 O OG . SER A 0 29 . -27.149 1.337 -4.055 1.00 47.38 29 A 1 ATOM 221 N N . SER A 0 30 . -26.526 5.392 -4.715 1.00 44.90 30 A 1 ATOM 222 C CA . SER A 0 30 . -25.280 6.013 -4.274 1.00 44.90 30 A 1 ATOM 223 C C . SER A 0 30 . -24.624 5.103 -3.228 1.00 44.90 30 A 1 ATOM 224 C CB . SER A 0 30 . -25.553 7.401 -3.673 1.00 44.90 30 A 1 ATOM 225 O O . SER A 0 30 . -25.339 4.380 -2.520 1.00 44.90 30 A 1 ATOM 226 O OG . SER A 0 30 . -26.394 7.341 -2.533 1.00 44.90 30 A 1 ATOM 227 N N . PRO A 0 31 . -23.295 5.135 -3.050 1.00 45.82 31 A 1 ATOM 228 C CA . PRO A 0 31 . -22.761 4.768 -1.757 1.00 45.82 31 A 1 ATOM 229 C C . PRO A 0 31 . -23.336 5.805 -0.790 1.00 45.82 31 A 1 ATOM 230 C CB . PRO A 0 31 . -21.234 4.785 -1.886 1.00 45.82 31 A 1 ATOM 231 O O . PRO A 0 31 . -22.817 6.913 -0.646 1.00 45.82 31 A 1 ATOM 232 C CG . PRO A 0 31 . -20.948 5.299 -3.302 1.00 45.82 31 A 1 ATOM 233 C CD . PRO A 0 31 . -22.285 5.808 -3.841 1.00 45.82 31 A 1 ATOM 234 N N . GLN A 0 32 . -24.496 5.488 -0.210 1.00 43.06 32 A 1 ATOM 235 C CA . GLN A 0 32 . -25.012 6.176 0.949 1.00 43.06 32 A 1 ATOM 236 C C . GLN A 0 32 . -23.891 6.085 1.974 1.00 43.06 32 A 1 ATOM 237 C CB . GLN A 0 32 . -26.309 5.518 1.462 1.00 43.06 32 A 1 ATOM 238 O O . GLN A 0 32 . -23.584 5.009 2.481 1.00 43.06 32 A 1 ATOM 239 C CG . GLN A 0 32 . -27.553 5.927 0.657 1.00 43.06 32 A 1 ATOM 240 C CD . GLN A 0 32 . -28.847 5.341 1.227 1.00 43.06 32 A 1 ATOM 241 N NE2 . GLN A 0 32 . -29.992 5.898 0.897 1.00 43.06 32 A 1 ATOM 242 O OE1 . GLN A 0 32 . -28.874 4.378 1.969 1.00 43.06 32 A 1 ATOM 243 N N . SER A 0 33 . -23.255 7.228 2.238 1.00 43.52 33 A 1 ATOM 244 C CA . SER A 0 33 . -22.602 7.469 3.515 1.00 43.52 33 A 1 ATOM 245 C C . SER A 0 33 . -23.556 6.934 4.581 1.00 43.52 33 A 1 ATOM 246 C CB . SER A 0 33 . -22.416 8.980 3.698 1.00 43.52 33 A 1 ATOM 247 O O . SER A 0 33 . -24.684 7.437 4.638 1.00 43.52 33 A 1 ATOM 248 O OG . SER A 0 33 . -21.918 9.293 4.982 1.00 43.52 33 A 1 ATOM 249 N N . PRO A 0 34 . -23.180 5.922 5.382 1.00 48.04 34 A 1 ATOM 250 C CA . PRO A 0 34 . -24.028 5.483 6.464 1.00 48.04 34 A 1 ATOM 251 C C . PRO A 0 34 . -24.141 6.654 7.432 1.00 48.04 34 A 1 ATOM 252 C CB . PRO A 0 34 . -23.379 4.230 7.054 1.00 48.04 34 A 1 ATOM 253 O O . PRO A 0 34 . -23.235 6.960 8.195 1.00 48.04 34 A 1 ATOM 254 C CG . PRO A 0 34 . -21.904 4.394 6.693 1.00 48.04 34 A 1 ATOM 255 C CD . PRO A 0 34 . -21.923 5.192 5.388 1.00 48.04 34 A 1 ATOM 256 N N . ASN A 0 35 . -25.289 7.307 7.334 1.00 40.94 35 A 1 ATOM 257 C CA . ASN A 0 35 . -26.054 7.801 8.451 1.00 40.94 35 A 1 ATOM 258 C C . ASN A 0 35 . -25.372 8.887 9.293 1.00 40.94 35 A 1 ATOM 259 C CB . ASN A 0 35 . -26.561 6.580 9.239 1.00 40.94 35 A 1 ATOM 260 O O . ASN A 0 35 . -24.509 8.672 10.139 1.00 40.94 35 A 1 ATOM 261 C CG . ASN A 0 35 . -27.310 5.607 8.339 1.00 40.94 35 A 1 ATOM 262 N ND2 . ASN A 0 35 . -27.255 4.326 8.614 1.00 40.94 35 A 1 ATOM 263 O OD1 . ASN A 0 35 . -27.931 5.982 7.360 1.00 40.94 35 A 1 ATOM 264 N N . SER A 0 36 . -25.948 10.078 9.162 1.00 35.10 36 A 1 ATOM 265 C CA . SER A 0 36 . -26.464 10.809 10.313 1.00 35.10 36 A 1 ATOM 266 C C . SER A 0 36 . -26.498 9.986 11.613 1.00 35.10 36 A 1 ATOM 267 C CB . SER A 0 36 . -27.909 11.209 9.969 1.00 35.10 36 A 1 ATOM 268 O O . SER A 0 36 . -27.209 8.987 11.703 1.00 35.10 36 A 1 ATOM 269 O OG . SER A 0 36 . -28.653 10.075 9.555 1.00 35.10 36 A 1 ATOM 270 N N . LYS A 0 37 . -25.869 10.504 12.671 1.00 35.34 37 A 1 ATOM 271 C CA . LYS A 0 37 . -26.414 10.365 14.029 1.00 35.34 37 A 1 ATOM 272 C C . LYS A 0 37 . -26.454 8.928 14.582 1.00 35.34 37 A 1 ATOM 273 C CB . LYS A 0 37 . -27.797 11.061 14.010 1.00 35.34 37 A 1 ATOM 274 O O . LYS A 0 37 . -27.482 8.504 15.088 1.00 35.34 37 A 1 ATOM 275 C CG . LYS A 0 37 . -28.294 11.610 15.350 1.00 35.34 37 A 1 ATOM 276 C CD . LYS A 0 37 . -29.644 12.308 15.113 1.00 35.34 37 A 1 ATOM 277 C CE . LYS A 0 37 . -30.056 13.153 16.323 1.00 35.34 37 A 1 ATOM 278 N NZ . LYS A 0 37 . -31.294 13.927 16.043 1.00 35.34 37 A 1 ATOM 279 N N . THR A 0 38 . -25.346 8.186 14.583 1.00 36.37 38 A 1 ATOM 280 C CA . THR A 0 38 . -25.146 7.049 15.516 1.00 36.37 38 A 1 ATOM 281 C C . THR A 0 38 . -23.655 6.825 15.811 1.00 36.37 38 A 1 ATOM 282 C CB . THR A 0 38 . -25.831 5.733 15.070 1.00 36.37 38 A 1 ATOM 283 O O . THR A 0 38 . -23.078 5.804 15.476 1.00 36.37 38 A 1 ATOM 284 C CG2 . THR A 0 38 . -25.897 4.708 16.210 1.00 36.37 38 A 1 ATOM 285 O OG1 . THR A 0 38 . -27.182 5.923 14.717 1.00 36.37 38 A 1 ATOM 286 N N . GLN A 0 39 . -23.011 7.793 16.465 1.00 43.05 39 A 1 ATOM 287 C CA . GLN A 0 39 . -21.899 7.520 17.390 1.00 43.05 39 A 1 ATOM 288 C C . GLN A 0 39 . -22.203 8.218 18.724 1.00 43.05 39 A 1 ATOM 289 C CB . GLN A 0 39 . -20.520 7.858 16.800 1.00 43.05 39 A 1 ATOM 290 O O . GLN A 0 39 . -21.425 8.984 19.280 1.00 43.05 39 A 1 ATOM 291 C CG . GLN A 0 39 . -20.093 6.897 15.674 1.00 43.05 39 A 1 ATOM 292 C CD . GLN A 0 39 . -18.643 7.103 15.240 1.00 43.05 39 A 1 ATOM 293 N NE2 . GLN A 0 39 . -18.156 6.345 14.281 1.00 43.05 39 A 1 ATOM 294 O OE1 . GLN A 0 39 . -17.926 7.946 15.745 1.00 43.05 39 A 1 ATOM 295 N N . LYS A 0 40 . -23.426 7.990 19.212 1.00 37.64 40 A 1 ATOM 296 C CA . LYS A 0 40 . -23.749 8.086 20.632 1.00 37.64 40 A 1 ATOM 297 C C . LYS A 0 40 . -23.219 6.783 21.239 1.00 37.64 40 A 1 ATOM 298 C CB . LYS A 0 40 . -25.275 8.277 20.777 1.00 37.64 40 A 1 ATOM 299 O O . LYS A 0 40 . -23.635 5.718 20.797 1.00 37.64 40 A 1 ATOM 300 C CG . LYS A 0 40 . -25.755 8.518 22.217 1.00 37.64 40 A 1 ATOM 301 C CD . LYS A 0 40 . -27.274 8.756 22.267 1.00 37.64 40 A 1 ATOM 302 C CE . LYS A 0 40 . -27.729 8.972 23.718 1.00 37.64 40 A 1 ATOM 303 N NZ . LYS A 0 40 . -29.202 9.133 23.831 1.00 37.64 40 A 1 ATOM 304 N N . THR A 0 41 . -22.302 6.891 22.199 1.00 34.77 41 A 1 ATOM 305 C CA . THR A 0 41 . -21.847 5.789 23.069 1.00 34.77 41 A 1 ATOM 306 C C . THR A 0 41 . -20.821 4.818 22.453 1.00 34.77 41 A 1 ATOM 307 C CB . THR A 0 41 . -23.057 5.056 23.698 1.00 34.77 41 A 1 ATOM 308 O O . THR A 0 41 . -21.078 3.628 22.328 1.00 34.77 41 A 1 ATOM 309 C CG2 . THR A 0 41 . -22.735 4.264 24.963 1.00 34.77 41 A 1 ATOM 310 O OG1 . THR A 0 41 . -24.043 5.982 24.109 1.00 34.77 41 A 1 ATOM 311 N N . VAL A 0 42 . -19.593 5.280 22.182 1.00 55.42 42 A 1 ATOM 312 C CA . VAL A 0 42 . -18.420 4.469 22.574 1.00 55.42 42 A 1 ATOM 313 C C . VAL A 0 42 . -18.005 5.002 23.938 1.00 55.42 42 A 1 ATOM 314 C CB . VAL A 0 42 . -17.276 4.445 21.541 1.00 55.42 42 A 1 ATOM 315 O O . VAL A 0 42 . -17.187 5.911 24.069 1.00 55.42 42 A 1 ATOM 316 C CG1 . VAL A 0 42 . -16.123 3.547 22.020 1.00 55.42 42 A 1 ATOM 317 C CG2 . VAL A 0 42 . -17.771 3.878 20.205 1.00 55.42 42 A 1 ATOM 318 N N . GLU A 0 43 . -18.711 4.533 24.965 1.00 49.88 43 A 1 ATOM 319 C CA . GLU A 0 43 . -18.357 4.840 26.339 1.00 49.88 43 A 1 ATOM 320 C C . GLU A 0 43 . -16.965 4.291 26.642 1.00 49.88 43 A 1 ATOM 321 C CB . GLU A 0 43 . -19.402 4.311 27.334 1.00 49.88 43 A 1 ATOM 322 O O . GLU A 0 43 . -16.689 3.103 26.503 1.00 49.88 43 A 1 ATOM 323 C CG . GLU A 0 43 . -20.453 5.399 27.582 1.00 49.88 43 A 1 ATOM 324 C CD . GLU A 0 43 . -21.490 5.052 28.657 1.00 49.88 43 A 1 ATOM 325 O OE1 . GLU A 0 43 . -22.481 5.814 28.723 1.00 49.88 43 A 1 ATOM 326 O OE2 . GLU A 0 43 . -21.262 4.094 29.424 1.00 49.88 43 A 1 ATOM 327 N N . ARG A 0 44 . -16.089 5.222 27.029 1.00 47.89 44 A 1 ATOM 328 C CA . ARG A 0 44 . -15.110 5.099 28.111 1.00 47.89 44 A 1 ATOM 329 C C . ARG A 0 44 . -14.819 3.656 28.542 1.00 47.89 44 A 1 ATOM 330 C CB . ARG A 0 44 . -15.656 5.855 29.338 1.00 47.89 44 A 1 ATOM 331 O O . ARG A 0 44 . -15.480 3.130 29.427 1.00 47.89 44 A 1 ATOM 332 C CG . ARG A 0 44 . -15.862 7.362 29.159 1.00 47.89 44 A 1 ATOM 333 C CD . ARG A 0 44 . -16.352 7.931 30.497 1.00 47.89 44 A 1 ATOM 334 N NE . ARG A 0 44 . -16.734 9.350 30.391 1.00 47.89 44 A 1 ATOM 335 N NH1 . ARG A 0 44 . -17.037 9.722 32.636 1.00 47.89 44 A 1 ATOM 336 N NH2 . ARG A 0 44 . -17.454 11.361 31.181 1.00 47.89 44 A 1 ATOM 337 C CZ . ARG A 0 44 . -17.071 10.134 31.399 1.00 47.89 44 A 1 ATOM 338 N N . ILE A 0 45 . -13.712 3.100 28.069 1.00 57.31 45 A 1 ATOM 339 C CA . ILE A 0 45 . -12.944 2.159 28.890 1.00 57.31 45 A 1 ATOM 340 C C . ILE A 0 45 . -11.588 2.812 29.149 1.00 57.31 45 A 1 ATOM 341 C CB . ILE A 0 45 . -12.920 0.722 28.318 1.00 57.31 45 A 1 ATOM 342 O O . ILE A 0 45 . -10.560 2.413 28.614 1.00 57.31 45 A 1 ATOM 343 C CG1 . ILE A 0 45 . -14.357 0.232 28.007 1.00 57.31 45 A 1 ATOM 344 C CG2 . ILE A 0 45 . -12.251 -0.215 29.344 1.00 57.31 45 A 1 ATOM 345 C CD1 . ILE A 0 45 . -14.443 -1.192 27.444 1.00 57.31 45 A 1 ATOM 346 N N . LYS A 0 46 . -11.613 3.885 29.951 1.00 50.21 46 A 1 ATOM 347 C CA . LYS A 0 46 . -10.447 4.311 30.734 1.00 50.21 46 A 1 ATOM 348 C C . LYS A 0 46 . -10.390 3.411 31.970 1.00 50.21 46 A 1 ATOM 349 C CB . LYS A 0 46 . -10.517 5.799 31.133 1.00 50.21 46 A 1 ATOM 350 O O . LYS A 0 46 . -10.726 3.848 33.062 1.00 50.21 46 A 1 ATOM 351 C CG . LYS A 0 46 . -10.199 6.780 29.999 1.00 50.21 46 A 1 ATOM 352 C CD . LYS A 0 46 . -10.107 8.205 30.567 1.00 50.21 46 A 1 ATOM 353 C CE . LYS A 0 46 . -9.697 9.196 29.474 1.00 50.21 46 A 1 ATOM 354 N NZ . LYS A 0 46 . -9.423 10.541 30.037 1.00 50.21 46 A 1 ATOM 355 N N . ASP A 0 47 . -10.037 2.143 31.772 1.00 50.69 47 A 1 ATOM 356 C CA . ASP A 0 47 . -9.659 1.242 32.865 1.00 50.69 47 A 1 ATOM 357 C C . ASP A 0 47 . -8.140 1.071 32.846 1.00 50.69 47 A 1 ATOM 358 C CB . ASP A 0 47 . -10.436 -0.084 32.842 1.00 50.69 47 A 1 ATOM 359 O O . ASP A 0 47 . -7.579 0.031 32.489 1.00 50.69 47 A 1 ATOM 360 C CG . ASP A 0 47 . -11.839 0.009 33.453 1.00 50.69 47 A 1 ATOM 361 O OD1 . ASP A 0 47 . -12.039 0.833 34.371 1.00 50.69 47 A 1 ATOM 362 O OD2 . ASP A 0 47 . -12.677 -0.820 33.033 1.00 50.69 47 A 1 ATOM 363 N N . ASP A 0 48 . -7.475 2.152 33.243 1.00 52.87 48 A 1 ATOM 364 C CA . ASP A 0 48 . -6.044 2.238 33.499 1.00 52.87 48 A 1 ATOM 365 C C . ASP A 0 48 . -5.684 1.403 34.743 1.00 52.87 48 A 1 ATOM 366 C CB . ASP A 0 48 . -5.661 3.722 33.710 1.00 52.87 48 A 1 ATOM 367 O O . ASP A 0 48 . -5.409 1.979 35.795 1.00 52.87 48 A 1 ATOM 368 C CG . ASP A 0 48 . -5.969 4.628 32.517 1.00 52.87 48 A 1 ATOM 369 O OD1 . ASP A 0 48 . -5.584 4.246 31.392 1.00 52.87 48 A 1 ATOM 370 O OD2 . ASP A 0 48 . -6.599 5.689 32.735 1.00 52.87 48 A 1 ATOM 371 N N . LYS A 0 49 . -5.728 0.053 34.701 1.00 54.01 49 A 1 ATOM 372 C CA . LYS A 0 49 . -5.005 -0.753 35.725 1.00 54.01 49 A 1 ATOM 373 C C . LYS A 0 49 . -4.813 -2.263 35.562 1.00 54.01 49 A 1 ATOM 374 C CB . LYS A 0 49 . -5.561 -0.479 37.151 1.00 54.01 49 A 1 ATOM 375 O O . LYS A 0 49 . -4.066 -2.822 36.361 1.00 54.01 49 A 1 ATOM 376 C CG . LYS A 0 49 . -4.440 0.118 38.028 1.00 54.01 49 A 1 ATOM 377 C CD . LYS A 0 49 . -4.976 0.916 39.219 1.00 54.01 49 A 1 ATOM 378 C CE . LYS A 0 49 . -3.789 1.521 39.978 1.00 54.01 49 A 1 ATOM 379 N NZ . LYS A 0 49 . -4.235 2.460 41.036 1.00 54.01 49 A 1 ATOM 380 N N . LYS A 0 50 . -5.427 -2.976 34.612 1.00 52.91 50 A 1 ATOM 381 C CA . LYS A 0 50 . -5.310 -4.456 34.562 1.00 52.91 50 A 1 ATOM 382 C C . LYS A 0 50 . -5.532 -5.005 33.153 1.00 52.91 50 A 1 ATOM 383 C CB . LYS A 0 50 . -6.343 -5.085 35.539 1.00 52.91 50 A 1 ATOM 384 O O . LYS A 0 50 . -6.679 -5.250 32.797 1.00 52.91 50 A 1 ATOM 385 C CG . LYS A 0 50 . -5.794 -5.502 36.912 1.00 52.91 50 A 1 ATOM 386 C CD . LYS A 0 50 . -6.935 -6.050 37.785 1.00 52.91 50 A 1 ATOM 387 C CE . LYS A 0 50 . -6.399 -6.562 39.127 1.00 52.91 50 A 1 ATOM 388 N NZ . LYS A 0 50 . -7.500 -6.972 40.038 1.00 52.91 50 A 1 ATOM 389 N N . LYS A 0 51 . -4.470 -5.235 32.371 1.00 55.79 51 A 1 ATOM 390 C CA . LYS A 0 51 . -4.435 -6.230 31.269 1.00 55.79 51 A 1 ATOM 391 C C . LYS A 0 51 . -3.071 -6.241 30.578 1.00 55.79 51 A 1 ATOM 392 C CB . LYS A 0 51 . -5.590 -6.034 30.249 1.00 55.79 51 A 1 ATOM 393 O O . LYS A 0 51 . -2.908 -5.787 29.452 1.00 55.79 51 A 1 ATOM 394 C CG . LYS A 0 51 . -6.724 -7.056 30.473 1.00 55.79 51 A 1 ATOM 395 C CD . LYS A 0 51 . -8.074 -6.482 30.027 1.00 55.79 51 A 1 ATOM 396 C CE . LYS A 0 51 . -9.199 -7.456 30.394 1.00 55.79 51 A 1 ATOM 397 N NZ . LYS A 0 51 . -10.537 -6.852 30.180 1.00 55.79 51 A 1 ATOM 398 N N . SER A 0 52 . -2.092 -6.851 31.233 1.00 52.89 52 A 1 ATOM 399 C CA . SER A 0 52 . -1.159 -7.678 30.475 1.00 52.89 52 A 1 ATOM 400 C C . SER A 0 52 . -1.994 -8.717 29.697 1.00 52.89 52 A 1 ATOM 401 C CB . SER A 0 52 . -0.165 -8.344 31.442 1.00 52.89 52 A 1 ATOM 402 O O . SER A 0 52 . -2.913 -9.319 30.255 1.00 52.89 52 A 1 ATOM 403 O OG . SER A 0 52 . -0.827 -8.861 32.587 1.00 52.89 52 A 1 ATOM 404 N N . THR A 0 53 . -1.702 -8.951 28.414 1.00 61.50 53 A 1 ATOM 405 C CA . THR A 0 53 . -2.207 -10.104 27.619 1.00 61.50 53 A 1 ATOM 406 C C . THR A 0 53 . -3.654 -10.099 27.076 1.00 61.50 53 A 1 ATOM 407 C CB . THR A 0 53 . -1.831 -11.485 28.241 1.00 61.50 53 A 1 ATOM 408 O O . THR A 0 53 . -4.233 -11.164 26.882 1.00 61.50 53 A 1 ATOM 409 C CG2 . THR A 0 53 . -0.786 -12.198 27.391 1.00 61.50 53 A 1 ATOM 410 O OG1 . THR A 0 53 . -1.294 -11.411 29.542 1.00 61.50 53 A 1 ATOM 411 N N . ARG A 0 54 . -4.268 -8.955 26.734 1.00 64.78 54 A 1 ATOM 412 C CA . ARG A 0 54 . -5.448 -8.963 25.832 1.00 64.78 54 A 1 ATOM 413 C C . ARG A 0 54 . -5.016 -8.517 24.436 1.00 64.78 54 A 1 ATOM 414 C CB . ARG A 0 54 . -6.608 -8.139 26.422 1.00 64.78 54 A 1 ATOM 415 O O . ARG A 0 54 . -4.404 -7.462 24.320 1.00 64.78 54 A 1 ATOM 416 C CG . ARG A 0 54 . -7.974 -8.528 25.820 1.00 64.78 54 A 1 ATOM 417 C CD . ARG A 0 54 . -9.110 -7.749 26.501 1.00 64.78 54 A 1 ATOM 418 N NE . ARG A 0 54 . -10.453 -8.277 26.169 1.00 64.78 54 A 1 ATOM 419 N NH1 . ARG A 0 54 . -11.699 -6.535 27.006 1.00 64.78 54 A 1 ATOM 420 N NH2 . ARG A 0 54 . -12.736 -8.344 26.204 1.00 64.78 54 A 1 ATOM 421 C CZ . ARG A 0 54 . -11.620 -7.721 26.457 1.00 64.78 54 A 1 ATOM 422 N N . THR A 0 55 . -5.334 -9.301 23.403 1.00 78.89 55 A 1 ATOM 423 C CA . THR A 0 55 . -5.128 -8.956 21.985 1.00 78.89 55 A 1 ATOM 424 C C . THR A 0 55 . -6.007 -7.759 21.627 1.00 78.89 55 A 1 ATOM 425 C CB . THR A 0 55 . -5.448 -10.153 21.067 1.00 78.89 55 A 1 ATOM 426 O O . THR A 0 55 . -7.150 -7.910 21.203 1.00 78.89 55 A 1 ATOM 427 C CG2 . THR A 0 55 . -4.924 -9.961 19.645 1.00 78.89 55 A 1 ATOM 428 O OG1 . THR A 0 55 . -4.844 -11.316 21.584 1.00 78.89 55 A 1 ATOM 429 N N . ILE A 0 56 . -5.516 -6.559 21.913 1.00 85.78 56 A 1 ATOM 430 C CA . ILE A 0 56 . -6.167 -5.306 21.551 1.00 85.78 56 A 1 ATOM 431 C C . ILE A 0 56 . -5.752 -4.988 20.114 1.00 85.78 56 A 1 ATOM 432 C CB . ILE A 0 56 . -5.831 -4.202 22.581 1.00 85.78 56 A 1 ATOM 433 O O . ILE A 0 56 . -4.600 -5.177 19.728 1.00 85.78 56 A 1 ATOM 434 C CG1 . ILE A 0 56 . -6.422 -4.572 23.966 1.00 85.78 56 A 1 ATOM 435 C CG2 . ILE A 0 56 . -6.387 -2.840 22.131 1.00 85.78 56 A 1 ATOM 436 C CD1 . ILE A 0 56 . -5.865 -3.741 25.128 1.00 85.78 56 A 1 ATOM 437 N N . TYR A 0 57 . -6.713 -4.555 19.303 1.00 88.79 57 A 1 ATOM 438 C CA . TYR A 0 57 . -6.421 -4.012 17.985 1.00 88.79 57 A 1 ATOM 439 C C . TYR A 0 57 . -5.699 -2.672 18.159 1.00 88.79 57 A 1 ATOM 440 C CB . TYR A 0 57 . -7.729 -3.869 17.206 1.00 88.79 57 A 1 ATOM 441 O O . TYR A 0 57 . -6.257 -1.742 18.735 1.00 88.79 57 A 1 ATOM 442 C CG . TYR A 0 57 . -7.547 -3.321 15.809 1.00 88.79 57 A 1 ATOM 443 C CD1 . TYR A 0 57 . -8.031 -2.040 15.487 1.00 88.79 57 A 1 ATOM 444 C CD2 . TYR A 0 57 . -6.910 -4.103 14.824 1.00 88.79 57 A 1 ATOM 445 C CE1 . TYR A 0 57 . -7.929 -1.568 14.167 1.00 88.79 57 A 1 ATOM 446 C CE2 . TYR A 0 57 . -6.761 -3.607 13.515 1.00 88.79 57 A 1 ATOM 447 O OH . TYR A 0 57 . -7.164 -1.854 11.919 1.00 88.79 57 A 1 ATOM 448 C CZ . TYR A 0 57 . -7.282 -2.338 13.181 1.00 88.79 57 A 1 ATOM 449 N N . ASN A 0 58 . -4.454 -2.593 17.692 1.00 91.58 58 A 1 ATOM 450 C CA . ASN A 0 58 . -3.547 -1.481 17.991 1.00 91.58 58 A 1 ATOM 451 C C . ASN A 0 58 . -3.578 -0.345 16.954 1.00 91.58 58 A 1 ATOM 452 C CB . ASN A 0 58 . -2.124 -2.041 18.182 1.00 91.58 58 A 1 ATOM 453 O O . ASN A 0 58 . -2.699 0.505 16.993 1.00 91.58 58 A 1 ATOM 454 C CG . ASN A 0 58 . -1.971 -2.929 19.401 1.00 91.58 58 A 1 ATOM 455 N ND2 . ASN A 0 58 . -0.999 -3.812 19.383 1.00 91.58 58 A 1 ATOM 456 O OD1 . ASN A 0 58 . -2.681 -2.841 20.387 1.00 91.58 58 A 1 ATOM 457 N N . VAL A 0 59 . -4.540 -0.340 16.023 1.00 91.10 59 A 1 ATOM 458 C CA . VAL A 0 59 . -4.610 0.650 14.930 1.00 91.10 59 A 1 ATOM 459 C C . VAL A 0 59 . -5.922 1.443 15.020 1.00 91.10 59 A 1 ATOM 460 C CB . VAL A 0 59 . -4.389 -0.012 13.552 1.00 91.10 59 A 1 ATOM 461 O O . VAL A 0 59 . -6.839 1.218 14.226 1.00 91.10 59 A 1 ATOM 462 C CG1 . VAL A 0 59 . -4.266 1.016 12.420 1.00 91.10 59 A 1 ATOM 463 C CG2 . VAL A 0 59 . -3.113 -0.869 13.527 1.00 91.10 59 A 1 ATOM 464 N N . PRO A 0 60 . -6.094 2.322 16.027 1.00 92.17 60 A 1 ATOM 465 C CA . PRO A 0 60 . -7.304 3.138 16.148 1.00 92.17 60 A 1 ATOM 466 C C . PRO A 0 60 . -7.508 4.075 14.947 1.00 92.17 60 A 1 ATOM 467 C CB . PRO A 0 60 . -7.124 3.928 17.448 1.00 92.17 60 A 1 ATOM 468 O O . PRO A 0 60 . -8.650 4.399 14.622 1.00 92.17 60 A 1 ATOM 469 C CG . PRO A 0 60 . -5.606 4.048 17.586 1.00 92.17 60 A 1 ATOM 470 C CD . PRO A 0 60 . -5.114 2.713 17.036 1.00 92.17 60 A 1 ATOM 471 N N . GLU A 0 61 . -6.429 4.446 14.254 1.00 92.40 61 A 1 ATOM 472 C CA . GLU A 0 61 . -6.423 5.379 13.125 1.00 92.40 61 A 1 ATOM 473 C C . GLU A 0 61 . -7.320 4.895 11.987 1.00 92.40 61 A 1 ATOM 474 C CB . GLU A 0 61 . -4.998 5.568 12.567 1.00 92.40 61 A 1 ATOM 475 O O . GLU A 0 61 . -7.931 5.713 11.307 1.00 92.40 61 A 1 ATOM 476 C CG . GLU A 0 61 . -3.933 6.007 13.590 1.00 92.40 61 A 1 ATOM 477 C CD . GLU A 0 61 . -3.350 4.866 14.444 1.00 92.40 61 A 1 ATOM 478 O OE1 . GLU A 0 61 . -2.491 5.163 15.299 1.00 92.40 61 A 1 ATOM 479 O OE2 . GLU A 0 61 . -3.778 3.700 14.268 1.00 92.40 61 A 1 ATOM 480 N N . TYR A 0 62 . -7.463 3.573 11.822 1.00 93.76 62 A 1 ATOM 481 C CA . TYR A 0 62 . -8.294 2.960 10.783 1.00 93.76 62 A 1 ATOM 482 C C . TYR A 0 62 . -9.744 3.468 10.799 1.00 93.76 62 A 1 ATOM 483 C CB . TYR A 0 62 . -8.265 1.436 10.967 1.00 93.76 62 A 1 ATOM 484 O O . TYR A 0 62 . -10.370 3.626 9.750 1.00 93.76 62 A 1 ATOM 485 C CG . TYR A 0 62 . -9.078 0.694 9.924 1.00 93.76 62 A 1 ATOM 486 C CD1 . TYR A 0 62 . -10.357 0.195 10.242 1.00 93.76 62 A 1 ATOM 487 C CD2 . TYR A 0 62 . -8.571 0.554 8.618 1.00 93.76 62 A 1 ATOM 488 C CE1 . TYR A 0 62 . -11.126 -0.449 9.254 1.00 93.76 62 A 1 ATOM 489 C CE2 . TYR A 0 62 . -9.337 -0.089 7.627 1.00 93.76 62 A 1 ATOM 490 O OH . TYR A 0 62 . -11.362 -1.208 6.992 1.00 93.76 62 A 1 ATOM 491 C CZ . TYR A 0 62 . -10.618 -0.590 7.946 1.00 93.76 62 A 1 ATOM 492 N N . TYR A 0 63 . -10.279 3.773 11.983 1.00 94.62 63 A 1 ATOM 493 C CA . TYR A 0 63 . -11.659 4.234 12.141 1.00 94.62 63 A 1 ATOM 494 C C . TYR A 0 63 . -11.836 5.738 11.883 1.00 94.62 63 A 1 ATOM 495 C CB . TYR A 0 63 . -12.160 3.835 13.532 1.00 94.62 63 A 1 ATOM 496 O O . TYR A 0 63 . -12.968 6.218 11.835 1.00 94.62 63 A 1 ATOM 497 C CG . TYR A 0 63 . -12.076 2.344 13.802 1.00 94.62 63 A 1 ATOM 498 C CD1 . TYR A 0 63 . -12.978 1.460 13.177 1.00 94.62 63 A 1 ATOM 499 C CD2 . TYR A 0 63 . -11.076 1.841 14.655 1.00 94.62 63 A 1 ATOM 500 C CE1 . TYR A 0 63 . -12.886 0.075 13.413 1.00 94.62 63 A 1 ATOM 501 C CE2 . TYR A 0 63 . -10.975 0.458 14.888 1.00 94.62 63 A 1 ATOM 502 O OH . TYR A 0 63 . -11.778 -1.766 14.475 1.00 94.62 63 A 1 ATOM 503 C CZ . TYR A 0 63 . -11.882 -0.428 14.266 1.00 94.62 63 A 1 ATOM 504 N N . GLU A 0 64 . -10.746 6.485 11.697 1.00 94.86 64 A 1 ATOM 505 C CA . GLU A 0 64 . -10.756 7.939 11.487 1.00 94.86 64 A 1 ATOM 506 C C . GLU A 0 64 . -10.719 8.335 9.997 1.00 94.86 64 A 1 ATOM 507 C CB . GLU A 0 64 . -9.603 8.588 12.271 1.00 94.86 64 A 1 ATOM 508 O O . GLU A 0 64 . -10.729 9.522 9.655 1.00 94.86 64 A 1 ATOM 509 C CG . GLU A 0 64 . -9.659 8.282 13.779 1.00 94.86 64 A 1 ATOM 510 C CD . GLU A 0 64 . -8.589 9.028 14.593 1.00 94.86 64 A 1 ATOM 511 O OE1 . GLU A 0 64 . -8.682 8.966 15.841 1.00 94.86 64 A 1 ATOM 512 O OE2 . GLU A 0 64 . -7.719 9.691 13.983 1.00 94.86 64 A 1 ATOM 513 N N . HIS A 0 65 . -10.699 7.358 9.084 1.00 95.14 65 A 1 ATOM 514 C CA . HIS A 0 65 . -10.624 7.608 7.646 1.00 95.14 65 A 1 ATOM 515 C C . HIS A 0 65 . -11.905 8.279 7.125 1.00 95.14 65 A 1 ATOM 516 C CB . HIS A 0 65 . -10.329 6.309 6.878 1.00 95.14 65 A 1 ATOM 517 O O . HIS A 0 65 . -13.014 7.758 7.249 1.00 95.14 65 A 1 ATOM 518 C CG . HIS A 0 65 . -8.922 5.789 7.046 1.00 95.14 65 A 1 ATOM 519 C CD2 . HIS A 0 65 . -8.306 5.466 8.221 1.00 95.14 65 A 1 ATOM 520 N ND1 . HIS A 0 65 . -8.027 5.498 6.041 1.00 95.14 65 A 1 ATOM 521 C CE1 . HIS A 0 65 . -6.905 5.017 6.605 1.00 95.14 65 A 1 ATOM 522 N NE2 . HIS A 0 65 . -7.029 4.975 7.934 1.00 95.14 65 A 1 ATOM 523 N N . LYS A 0 66 . -11.743 9.431 6.470 1.00 95.36 66 A 1 ATOM 524 C CA . LYS A 0 66 . -12.798 10.123 5.715 1.00 95.36 66 A 1 ATOM 525 C C . LYS A 0 66 . -12.849 9.615 4.273 1.00 95.36 66 A 1 ATOM 526 C CB . LYS A 0 66 . -12.578 11.645 5.759 1.00 95.36 66 A 1 ATOM 527 O O . LYS A 0 66 . -11.876 9.068 3.760 1.00 95.36 66 A 1 ATOM 528 C CG . LYS A 0 66 . -12.531 12.196 7.191 1.00 95.36 66 A 1 ATOM 529 C CD . LYS A 0 66 . -12.401 13.723 7.178 1.00 95.36 66 A 1 ATOM 530 C CE . LYS A 0 66 . -12.288 14.228 8.619 1.00 95.36 66 A 1 ATOM 531 N NZ . LYS A 0 66 . -12.077 15.695 8.664 1.00 95.36 66 A 1 ATOM 532 N N . THR A 0 67 . -13.952 9.899 3.578 1.00 95.84 67 A 1 ATOM 533 C CA . THR A 0 67 . -14.211 9.479 2.186 1.00 95.84 67 A 1 ATOM 534 C C . THR A 0 67 . -13.066 9.776 1.211 1.00 95.84 67 A 1 ATOM 535 C CB . THR A 0 67 . -15.482 10.178 1.672 1.00 95.84 67 A 1 ATOM 536 O O . THR A 0 67 . -12.813 8.984 0.311 1.00 95.84 67 A 1 ATOM 537 C CG2 . THR A 0 67 . -16.010 9.610 0.357 1.00 95.84 67 A 1 ATOM 538 O OG1 . THR A 0 67 . -16.510 10.044 2.628 1.00 95.84 67 A 1 ATOM 539 N N . PHE A 0 68 . -12.356 10.897 1.385 1.00 96.83 68 A 1 ATOM 540 C CA . PHE A 0 68 . -11.321 11.359 0.453 1.00 96.83 68 A 1 ATOM 541 C C . PHE A 0 68 . -9.883 11.242 0.983 1.00 96.83 68 A 1 ATOM 542 C CB . PHE A 0 68 . -11.663 12.775 -0.032 1.00 96.83 68 A 1 ATOM 543 O O . PHE A 0 68 . -8.962 11.679 0.296 1.00 96.83 68 A 1 ATOM 544 C CG . PHE A 0 68 . -12.988 12.865 -0.768 1.00 96.83 68 A 1 ATOM 545 C CD1 . PHE A 0 68 . -13.122 12.300 -2.051 1.00 96.83 68 A 1 ATOM 546 C CD2 . PHE A 0 68 . -14.092 13.509 -0.177 1.00 96.83 68 A 1 ATOM 547 C CE1 . PHE A 0 68 . -14.345 12.375 -2.738 1.00 96.83 68 A 1 ATOM 548 C CE2 . PHE A 0 68 . -15.317 13.586 -0.864 1.00 96.83 68 A 1 ATOM 549 C CZ . PHE A 0 68 . -15.443 13.019 -2.145 1.00 96.83 68 A 1 ATOM 550 N N . CYS A 0 69 . -9.656 10.591 2.135 1.00 95.88 69 A 1 ATOM 551 C CA . CYS A 0 69 . -8.313 10.465 2.725 1.00 95.88 69 A 1 ATOM 552 C C . CYS A 0 69 . -7.277 9.869 1.757 1.00 95.88 69 A 1 ATOM 553 C CB . CYS A 0 69 . -8.388 9.598 3.992 1.00 95.88 69 A 1 ATOM 554 O O . CYS A 0 69 . -6.112 10.249 1.794 1.00 95.88 69 A 1 ATOM 555 S SG . CYS A 0 69 . -8.982 10.590 5.385 1.00 95.88 69 A 1 ATOM 556 N N . PHE A 0 70 . -7.695 8.969 0.862 1.00 96.56 70 A 1 ATOM 557 C CA . PHE A 0 70 . -6.827 8.412 -0.178 1.00 96.56 70 A 1 ATOM 558 C C . PHE A 0 70 . -6.213 9.498 -1.080 1.00 96.56 70 A 1 ATOM 559 C CB . PHE A 0 70 . -7.648 7.413 -1.005 1.00 96.56 70 A 1 ATOM 560 O O . PHE A 0 70 . -5.002 9.519 -1.295 1.00 96.56 70 A 1 ATOM 561 C CG . PHE A 0 70 . -6.885 6.846 -2.183 1.00 96.56 70 A 1 ATOM 562 C CD1 . PHE A 0 70 . -7.010 7.436 -3.455 1.00 96.56 70 A 1 ATOM 563 C CD2 . PHE A 0 70 . -6.005 5.764 -1.995 1.00 96.56 70 A 1 ATOM 564 C CE1 . PHE A 0 70 . -6.252 6.950 -4.534 1.00 96.56 70 A 1 ATOM 565 C CE2 . PHE A 0 70 . -5.258 5.269 -3.079 1.00 96.56 70 A 1 ATOM 566 C CZ . PHE A 0 70 . -5.380 5.864 -4.347 1.00 96.56 70 A 1 ATOM 567 N N . TYR A 0 71 . -7.039 10.425 -1.571 1.00 97.76 71 A 1 ATOM 568 C CA . TYR A 0 71 . -6.598 11.498 -2.463 1.00 97.76 71 A 1 ATOM 569 C C . TYR A 0 71 . -5.788 12.563 -1.720 1.00 97.76 71 A 1 ATOM 570 C CB . TYR A 0 71 . -7.813 12.129 -3.147 1.00 97.76 71 A 1 ATOM 571 O O . TYR A 0 71 . -4.816 13.086 -2.266 1.00 97.76 71 A 1 ATOM 572 C CG . TYR A 0 71 . -8.586 11.171 -4.031 1.00 97.76 71 A 1 ATOM 573 C CD1 . TYR A 0 71 . -8.046 10.768 -5.268 1.00 97.76 71 A 1 ATOM 574 C CD2 . TYR A 0 71 . -9.835 10.676 -3.613 1.00 97.76 71 A 1 ATOM 575 C CE1 . TYR A 0 71 . -8.767 9.892 -6.101 1.00 97.76 71 A 1 ATOM 576 C CE2 . TYR A 0 71 . -10.564 9.806 -4.447 1.00 97.76 71 A 1 ATOM 577 O OH . TYR A 0 71 . -10.740 8.581 -6.498 1.00 97.76 71 A 1 ATOM 578 C CZ . TYR A 0 71 . -10.033 9.418 -5.695 1.00 97.76 71 A 1 ATOM 579 N N . ASP A 0 72 . -6.141 12.843 -0.462 1.00 96.09 72 A 1 ATOM 580 C CA . ASP A 0 72 . -5.374 13.753 0.394 1.00 96.09 72 A 1 ATOM 581 C C . ASP A 0 72 . -3.938 13.244 0.587 1.00 96.09 72 A 1 ATOM 582 C CB . ASP A 0 72 . -6.060 13.907 1.762 1.00 96.09 72 A 1 ATOM 583 O O . ASP A 0 72 . -2.974 13.994 0.408 1.00 96.09 72 A 1 ATOM 584 C CG . ASP A 0 72 . -7.430 14.590 1.700 1.00 96.09 72 A 1 ATOM 585 O OD1 . ASP A 0 72 . -7.603 15.474 0.832 1.00 96.09 72 A 1 ATOM 586 O OD2 . ASP A 0 72 . -8.276 14.250 2.559 1.00 96.09 72 A 1 ATOM 587 N N . LEU A 0 73 . -3.788 11.949 0.886 1.00 96.67 73 A 1 ATOM 588 C CA . LEU A 0 73 . -2.486 11.297 1.018 1.00 96.67 73 A 1 ATOM 589 C C . LEU A 0 73 . -1.724 11.278 -0.310 1.00 96.67 73 A 1 ATOM 590 C CB . LEU A 0 73 . -2.679 9.866 1.548 1.00 96.67 73 A 1 ATOM 591 O O . LEU A 0 73 . -0.530 11.579 -0.335 1.00 96.67 73 A 1 ATOM 592 C CG . LEU A 0 73 . -3.110 9.787 3.023 1.00 96.67 73 A 1 ATOM 593 C CD1 . LEU A 0 73 . -3.443 8.334 3.370 1.00 96.67 73 A 1 ATOM 594 C CD2 . LEU A 0 73 . -2.013 10.268 3.975 1.00 96.67 73 A 1 ATOM 595 N N . GLU A 0 74 . -2.389 10.986 -1.428 1.00 97.08 74 A 1 ATOM 596 C CA . GLU A 0 74 . -1.760 11.059 -2.749 1.00 97.08 74 A 1 ATOM 597 C C . GLU A 0 74 . -1.198 12.461 -3.042 1.00 97.08 74 A 1 ATOM 598 C CB . GLU A 0 74 . -2.754 10.602 -3.829 1.00 97.08 74 A 1 ATOM 599 O O . GLU A 0 74 . -0.051 12.594 -3.487 1.00 97.08 74 A 1 ATOM 600 C CG . GLU A 0 74 . -2.249 10.994 -5.221 1.00 97.08 74 A 1 ATOM 601 C CD . GLU A 0 74 . -2.810 10.139 -6.345 1.00 97.08 74 A 1 ATOM 602 O OE1 . GLU A 0 74 . -1.932 9.666 -7.115 1.00 97.08 74 A 1 ATOM 603 O OE2 . GLU A 0 74 . -4.047 9.990 -6.423 1.00 97.08 74 A 1 ATOM 604 N N . MET A 0 75 . -1.973 13.509 -2.757 1.00 96.95 75 A 1 ATOM 605 C CA . MET A 0 75 . -1.549 14.890 -2.964 1.00 96.95 75 A 1 ATOM 606 C C . MET A 0 75 . -0.341 15.254 -2.089 1.00 96.95 75 A 1 ATOM 607 C CB . MET A 0 75 . -2.742 15.817 -2.702 1.00 96.95 75 A 1 ATOM 608 O O . MET A 0 75 . 0.584 15.913 -2.573 1.00 96.95 75 A 1 ATOM 609 C CG . MET A 0 75 . -2.388 17.280 -2.995 1.00 96.95 75 A 1 ATOM 610 S SD . MET A 0 75 . -3.763 18.451 -2.862 1.00 96.95 75 A 1 ATOM 611 C CE . MET A 0 75 . -4.242 18.213 -1.126 1.00 96.95 75 A 1 ATOM 612 N N . GLN A 0 76 . -0.316 14.800 -0.832 1.00 97.31 76 A 1 ATOM 613 C CA . GLN A 0 76 . 0.821 14.992 0.077 1.00 97.31 76 A 1 ATOM 614 C C . GLN A 0 76 . 2.078 14.262 -0.417 1.00 97.31 76 A 1 ATOM 615 C CB . GLN A 0 76 . 0.443 14.503 1.482 1.00 97.31 76 A 1 ATOM 616 O O . GLN A 0 76 . 3.170 14.836 -0.426 1.00 97.31 76 A 1 ATOM 617 C CG . GLN A 0 76 . -0.578 15.415 2.180 1.00 97.31 76 A 1 ATOM 618 C CD . GLN A 0 76 . -1.074 14.823 3.496 1.00 97.31 76 A 1 ATOM 619 N NE2 . GLN A 0 76 . -2.188 15.286 4.018 1.00 97.31 76 A 1 ATOM 620 O OE1 . GLN A 0 76 . -0.466 13.955 4.095 1.00 97.31 76 A 1 ATOM 621 N N . LEU A 0 77 . 1.926 13.022 -0.891 1.00 97.56 77 A 1 ATOM 622 C CA . LEU A 0 77 . 3.036 12.189 -1.358 1.00 97.56 77 A 1 ATOM 623 C C . LEU A 0 77 . 3.632 12.658 -2.690 1.00 97.56 77 A 1 ATOM 624 C CB . LEU A 0 77 . 2.572 10.727 -1.451 1.00 97.56 77 A 1 ATOM 625 O O . LEU A 0 77 . 4.792 12.357 -2.974 1.00 97.56 77 A 1 ATOM 626 C CG . LEU A 0 77 . 2.340 10.052 -0.084 1.00 97.56 77 A 1 ATOM 627 C CD1 . LEU A 0 77 . 1.720 8.674 -0.314 1.00 97.56 77 A 1 ATOM 628 C CD2 . LEU A 0 77 . 3.640 9.873 0.704 1.00 97.56 77 A 1 ATOM 629 N N . LYS A 0 78 . 2.885 13.419 -3.501 1.00 97.17 78 A 1 ATOM 630 C CA . LYS A 0 78 . 3.308 13.876 -4.838 1.00 97.17 78 A 1 ATOM 631 C C . LYS A 0 78 . 4.685 14.553 -4.858 1.00 97.17 78 A 1 ATOM 632 C CB . LYS A 0 78 . 2.217 14.804 -5.397 1.00 97.17 78 A 1 ATOM 633 O O . LYS A 0 78 . 5.408 14.401 -5.836 1.00 97.17 78 A 1 ATOM 634 C CG . LYS A 0 78 . 2.457 15.179 -6.869 1.00 97.17 78 A 1 ATOM 635 C CD . LYS A 0 78 . 1.277 15.986 -7.424 1.00 97.17 78 A 1 ATOM 636 C CE . LYS A 0 78 . 1.524 16.342 -8.896 1.00 97.17 78 A 1 ATOM 637 N NZ . LYS A 0 78 . 0.349 17.026 -9.492 1.00 97.17 78 A 1 ATOM 638 N N . ARG A 0 79 . 5.064 15.266 -3.790 1.00 96.28 79 A 1 ATOM 639 C CA . ARG A 0 79 . 6.356 15.977 -3.679 1.00 96.28 79 A 1 ATOM 640 C C . ARG A 0 79 . 7.562 15.049 -3.510 1.00 96.28 79 A 1 ATOM 641 C CB . ARG A 0 79 . 6.308 16.959 -2.499 1.00 96.28 79 A 1 ATOM 642 O O . ARG A 0 79 . 8.678 15.464 -3.792 1.00 96.28 79 A 1 ATOM 643 C CG . ARG A 0 79 . 5.220 18.027 -2.667 1.00 96.28 79 A 1 ATOM 644 C CD . ARG A 0 79 . 5.237 18.974 -1.466 1.00 96.28 79 A 1 ATOM 645 N NE . ARG A 0 79 . 4.157 19.974 -1.557 1.00 96.28 79 A 1 ATOM 646 N NH1 . ARG A 0 79 . 4.642 21.093 0.385 1.00 96.28 79 A 1 ATOM 647 N NH2 . ARG A 0 79 . 2.912 21.749 -0.861 1.00 96.28 79 A 1 ATOM 648 C CZ . ARG A 0 79 . 3.910 20.931 -0.681 1.00 96.28 79 A 1 ATOM 649 N N . PHE A 0 80 . 7.333 13.820 -3.054 1.00 98.06 80 A 1 ATOM 650 C CA . PHE A 0 80 . 8.376 12.833 -2.768 1.00 98.06 80 A 1 ATOM 651 C C . PHE A 0 80 . 8.518 11.778 -3.876 1.00 98.06 80 A 1 ATOM 652 C CB . PHE A 0 80 . 8.074 12.182 -1.411 1.00 98.06 80 A 1 ATOM 653 O O . PHE A 0 80 . 9.368 10.897 -3.783 1.00 98.06 80 A 1 ATOM 654 C CG . PHE A 0 80 . 7.920 13.169 -0.267 1.00 98.06 80 A 1 ATOM 655 C CD1 . PHE A 0 80 . 9.056 13.776 0.299 1.00 98.06 80 A 1 ATOM 656 C CD2 . PHE A 0 80 . 6.642 13.486 0.230 1.00 98.06 80 A 1 ATOM 657 C CE1 . PHE A 0 80 . 8.913 14.682 1.366 1.00 98.06 80 A 1 ATOM 658 C CE2 . PHE A 0 80 . 6.497 14.392 1.295 1.00 98.06 80 A 1 ATOM 659 C CZ . PHE A 0 80 . 7.635 14.987 1.867 1.00 98.06 80 A 1 ATOM 660 N N . ARG A 0 81 . 7.677 11.832 -4.918 1.00 97.46 81 A 1 ATOM 661 C CA . ARG A 0 81 . 7.717 10.879 -6.034 1.00 97.46 81 A 1 ATOM 662 C C . ARG A 0 81 . 8.851 11.230 -7.006 1.00 97.46 81 A 1 ATOM 663 C CB . ARG A 0 81 . 6.349 10.805 -6.743 1.00 97.46 81 A 1 ATOM 664 O O . ARG A 0 81 . 9.080 12.396 -7.314 1.00 97.46 81 A 1 ATOM 665 C CG . ARG A 0 81 . 5.228 10.218 -5.861 1.00 97.46 81 A 1 ATOM 666 C CD . ARG A 0 81 . 3.912 10.049 -6.646 1.00 97.46 81 A 1 ATOM 667 N NE . ARG A 0 81 . 2.809 9.527 -5.804 1.00 97.46 81 A 1 ATOM 668 N NH1 . ARG A 0 81 . 1.003 9.828 -7.248 1.00 97.46 81 A 1 ATOM 669 N NH2 . ARG A 0 81 . 0.644 8.977 -5.273 1.00 97.46 81 A 1 ATOM 670 C CZ . ARG A 0 81 . 1.514 9.452 -6.111 1.00 97.46 81 A 1 ATOM 671 N N . LEU A 0 82 . 9.516 10.201 -7.530 1.00 97.50 82 A 1 ATOM 672 C CA . LEU A 0 82 . 10.429 10.317 -8.670 1.00 97.50 82 A 1 ATOM 673 C C . LEU A 0 82 . 9.647 10.625 -9.963 1.00 97.50 82 A 1 ATOM 674 C CB . LEU A 0 82 . 11.242 9.012 -8.800 1.00 97.50 82 A 1 ATOM 675 O O . LEU A 0 82 . 8.453 10.302 -10.045 1.00 97.50 82 A 1 ATOM 676 C CG . LEU A 0 82 . 12.228 8.752 -7.644 1.00 97.50 82 A 1 ATOM 677 C CD1 . LEU A 0 82 . 12.923 7.409 -7.866 1.00 97.50 82 A 1 ATOM 678 C CD2 . LEU A 0 82 . 13.304 9.835 -7.532 1.00 97.50 82 A 1 ATOM 679 N N . PRO A 0 83 . 10.288 11.231 -10.983 1.00 96.27 83 A 1 ATOM 680 C CA . PRO A 0 83 . 9.657 11.397 -12.288 1.00 96.27 83 A 1 ATOM 681 C C . PRO A 0 83 . 9.261 10.035 -12.870 1.00 96.27 83 A 1 ATOM 682 C CB . PRO A 0 83 . 10.683 12.124 -13.162 1.00 96.27 83 A 1 ATOM 683 O O . PRO A 0 83 . 9.951 9.035 -12.676 1.00 96.27 83 A 1 ATOM 684 C CG . PRO A 0 83 . 12.019 11.725 -12.536 1.00 96.27 83 A 1 ATOM 685 C CD . PRO A 0 83 . 11.685 11.649 -11.047 1.00 96.27 83 A 1 ATOM 686 N N . GLN A 0 84 . 8.136 10.001 -13.584 1.00 97.02 84 A 1 ATOM 687 C CA . GLN A 0 84 . 7.731 8.807 -14.325 1.00 97.02 84 A 1 ATOM 688 C C . GLN A 0 84 . 8.740 8.531 -15.453 1.00 97.02 84 A 1 ATOM 689 C CB . GLN A 0 84 . 6.311 8.982 -14.885 1.00 97.02 84 A 1 ATOM 690 O O . GLN A 0 84 . 9.257 9.488 -16.038 1.00 97.02 84 A 1 ATOM 691 C CG . GLN A 0 84 . 5.228 9.077 -13.799 1.00 97.02 84 A 1 ATOM 692 C CD . GLN A 0 84 . 5.104 7.791 -12.990 1.00 97.02 84 A 1 ATOM 693 N NE2 . GLN A 0 84 . 5.580 7.753 -11.764 1.00 97.02 84 A 1 ATOM 694 O OE1 . GLN A 0 84 . 4.598 6.787 -13.450 1.00 97.02 84 A 1 ATOM 695 N N . PRO A 0 85 . 9.034 7.258 -15.768 1.00 97.49 85 A 1 ATOM 696 C CA . PRO A 0 85 . 9.920 6.924 -16.876 1.00 97.49 85 A 1 ATOM 697 C C . PRO A 0 85 . 9.315 7.384 -18.207 1.00 97.49 85 A 1 ATOM 698 C CB . PRO A 0 85 . 10.106 5.406 -16.812 1.00 97.49 85 A 1 ATOM 699 O O . PRO A 0 85 . 8.102 7.313 -18.411 1.00 97.49 85 A 1 ATOM 700 C CG . PRO A 0 85 . 8.815 4.922 -16.150 1.00 97.49 85 A 1 ATOM 701 C CD . PRO A 0 85 . 8.475 6.050 -15.177 1.00 97.49 85 A 1 ATOM 702 N N . ASN A 0 86 . 10.172 7.841 -19.120 1.00 96.03 86 A 1 ATOM 703 C CA . ASN A 0 86 . 9.757 8.136 -20.486 1.00 96.03 86 A 1 ATOM 704 C C . ASN A 0 86 . 9.720 6.833 -21.300 1.00 96.03 86 A 1 ATOM 705 C CB . ASN A 0 86 . 10.689 9.180 -21.114 1.00 96.03 86 A 1 ATOM 706 O O . ASN A 0 86 . 10.591 5.986 -21.111 1.00 96.03 86 A 1 ATOM 707 C CG . ASN A 0 86 . 10.566 10.539 -20.454 1.00 96.03 86 A 1 ATOM 708 N ND2 . ASN A 0 86 . 11.664 11.239 -20.293 1.00 96.03 86 A 1 ATOM 709 O OD1 . ASN A 0 86 . 9.500 11.008 -20.094 1.00 96.03 86 A 1 ATOM 710 N N . PRO A 0 87 . 8.744 6.666 -22.205 1.00 94.95 87 A 1 ATOM 711 C CA . PRO A 0 87 . 8.622 5.458 -23.022 1.00 94.95 87 A 1 ATOM 712 C C . PRO A 0 87 . 9.572 5.409 -24.235 1.00 94.95 87 A 1 ATOM 713 C CB . PRO A 0 87 . 7.153 5.457 -23.461 1.00 94.95 87 A 1 ATOM 714 O O . PRO A 0 87 . 9.561 4.410 -24.947 1.00 94.95 87 A 1 ATOM 715 C CG . PRO A 0 87 . 6.820 6.944 -23.573 1.00 94.95 87 A 1 ATOM 716 C CD . PRO A 0 87 . 7.610 7.554 -22.419 1.00 94.95 87 A 1 ATOM 717 N N . SER A 0 88 . 10.312 6.488 -24.522 1.00 89.04 88 A 1 ATOM 718 C CA . SER A 0 88 . 11.227 6.618 -25.673 1.00 89.04 88 A 1 ATOM 719 C C . SER A 0 88 . 12.612 6.070 -25.371 1.00 89.04 88 A 1 ATOM 720 C CB . SER A 0 88 . 11.389 8.080 -26.084 1.00 89.04 88 A 1 ATOM 721 O O . SER A 0 88 . 13.184 5.451 -26.292 1.00 89.04 88 A 1 ATOM 722 O OG . SER A 0 88 . 10.110 8.612 -26.358 1.00 89.04 88 A 1 ATOM 723 O OXT . SER A 0 88 . 13.091 6.395 -24.264 1.00 89.04 88 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 70.64 # loop_ _atom_type.symbol C N O S #