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 ILE 0 3 TYR 0 4 PRO 0 5 ASN 0 6 GLY 0 7 LYS 0 8 ILE 0 9 ALA 0 10 PHE 0 11 TYR 0 12 TYR 0 13 GLU 0 14 GLU 0 15 VAL 0 16 SER 0 17 LYS 0 18 ALA 0 19 ILE 0 20 LYS 0 21 GLY 0 22 ASN 0 23 GLN 0 24 VAL 0 25 LYS 0 26 SER 0 27 SER 0 28 LEU 0 29 ILE 0 30 GLY 0 31 ARG 0 32 ILE 0 33 THR 0 34 CYS 0 35 GLY 0 36 ILE 0 37 ASN 0 38 GLU 0 39 GLY 0 40 ASN 0 41 GLN 0 42 HIS 0 43 CYS 0 44 PRO 0 45 LYS 0 46 HIS 0 47 ASN 0 48 SER 0 49 ILE 0 50 ASN 0 51 PRO 0 52 CYS 0 53 GLN 0 54 GLU 0 55 ALA 0 56 THR 0 57 THR 0 58 SER 0 59 ASP 0 60 ILE 0 61 LYS 0 62 CYS 0 63 ILE 0 64 TRP 0 65 CYS 0 66 LYS 0 67 LYS 0 68 TYR 0 69 ASP 0 70 ILE 0 71 CYS 0 72 THR 0 73 ALA 0 74 SER 0 75 SER 0 76 ASP 0 77 GLU 0 78 ASP 0 79 ASN 0 80 HIS 0 81 GLU 0 82 LEU 0 83 LYS 0 84 VAL 0 85 ASN 0 86 GLY 0 87 CYS 0 88 GLN 0 89 VAL 0 90 GLU 0 91 VAL 0 92 LYS # 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 . 10.082 -7.509 -13.318 1.00 87.99 1 A 1 ATOM 2 C CA . MET A 0 1 . 9.713 -8.767 -12.628 1.00 87.99 1 A 1 ATOM 3 C C . MET A 0 1 . 9.359 -8.453 -11.182 1.00 87.99 1 A 1 ATOM 4 C CB . MET A 0 1 . 10.868 -9.778 -12.705 1.00 87.99 1 A 1 ATOM 5 O O . MET A 0 1 . 10.098 -7.696 -10.563 1.00 87.99 1 A 1 ATOM 6 C CG . MET A 0 1 . 10.461 -11.192 -12.284 1.00 87.99 1 A 1 ATOM 7 S SD . MET A 0 1 . 11.789 -12.385 -12.581 1.00 87.99 1 A 1 ATOM 8 C CE . MET A 0 1 . 10.827 -13.903 -12.817 1.00 87.99 1 A 1 ATOM 9 N N . ILE A 0 2 . 8.254 -8.990 -10.657 1.00 87.72 2 A 1 ATOM 10 C CA . ILE A 0 2 . 7.837 -8.821 -9.253 1.00 87.72 2 A 1 ATOM 11 C C . ILE A 0 2 . 7.866 -10.199 -8.594 1.00 87.72 2 A 1 ATOM 12 C CB . ILE A 0 2 . 6.439 -8.165 -9.138 1.00 87.72 2 A 1 ATOM 13 O O . ILE A 0 2 . 7.268 -11.140 -9.108 1.00 87.72 2 A 1 ATOM 14 C CG1 . ILE A 0 2 . 6.410 -6.792 -9.851 1.00 87.72 2 A 1 ATOM 15 C CG2 . ILE A 0 2 . 6.048 -8.015 -7.654 1.00 87.72 2 A 1 ATOM 16 C CD1 . ILE A 0 2 . 5.017 -6.154 -9.929 1.00 87.72 2 A 1 ATOM 17 N N . TYR A 0 3 . 8.594 -10.322 -7.491 1.00 88.42 3 A 1 ATOM 18 C CA . TYR A 0 3 . 8.754 -11.573 -6.761 1.00 88.42 3 A 1 ATOM 19 C C . TYR A 0 3 . 7.740 -11.669 -5.610 1.00 88.42 3 A 1 ATOM 20 C CB . TYR A 0 3 . 10.188 -11.685 -6.236 1.00 88.42 3 A 1 ATOM 21 O O . TYR A 0 3 . 7.417 -10.646 -5.004 1.00 88.42 3 A 1 ATOM 22 C CG . TYR A 0 3 . 11.250 -11.797 -7.315 1.00 88.42 3 A 1 ATOM 23 C CD1 . TYR A 0 3 . 11.584 -13.059 -7.842 1.00 88.42 3 A 1 ATOM 24 C CD2 . TYR A 0 3 . 11.908 -10.647 -7.792 1.00 88.42 3 A 1 ATOM 25 C CE1 . TYR A 0 3 . 12.578 -13.168 -8.834 1.00 88.42 3 A 1 ATOM 26 C CE2 . TYR A 0 3 . 12.900 -10.753 -8.782 1.00 88.42 3 A 1 ATOM 27 O OH . TYR A 0 3 . 14.218 -12.140 -10.240 1.00 88.42 3 A 1 ATOM 28 C CZ . TYR A 0 3 . 13.243 -12.018 -9.303 1.00 88.42 3 A 1 ATOM 29 N N . PRO A 0 4 . 7.304 -12.884 -5.219 1.00 83.33 4 A 1 ATOM 30 C CA . PRO A 0 4 . 6.364 -13.074 -4.106 1.00 83.33 4 A 1 ATOM 31 C C . PRO A 0 4 . 6.835 -12.513 -2.757 1.00 83.33 4 A 1 ATOM 32 C CB . PRO A 0 4 . 6.157 -14.589 -4.009 1.00 83.33 4 A 1 ATOM 33 O O . PRO A 0 4 . 6.022 -12.225 -1.890 1.00 83.33 4 A 1 ATOM 34 C CG . PRO A 0 4 . 6.416 -15.080 -5.430 1.00 83.33 4 A 1 ATOM 35 C CD . PRO A 0 4 . 7.522 -14.148 -5.916 1.00 83.33 4 A 1 ATOM 36 N N . ASN A 0 5 . 8.145 -12.334 -2.569 1.00 85.24 5 A 1 ATOM 37 C CA . ASN A 0 5 . 8.717 -11.723 -1.364 1.00 85.24 5 A 1 ATOM 38 C C . ASN A 0 5 . 8.767 -10.183 -1.412 1.00 85.24 5 A 1 ATOM 39 C CB . ASN A 0 5 . 10.094 -12.350 -1.089 1.00 85.24 5 A 1 ATOM 40 O O . ASN A 0 5 . 9.459 -9.574 -0.599 1.00 85.24 5 A 1 ATOM 41 C CG . ASN A 0 5 . 11.143 -12.015 -2.134 1.00 85.24 5 A 1 ATOM 42 N ND2 . ASN A 0 5 . 12.315 -12.594 -2.021 1.00 85.24 5 A 1 ATOM 43 O OD1 . ASN A 0 5 . 10.935 -11.295 -3.096 1.00 85.24 5 A 1 ATOM 44 N N . GLY A 0 6 . 8.109 -9.556 -2.390 1.00 81.55 6 A 1 ATOM 45 C CA . GLY A 0 6 . 8.063 -8.103 -2.552 1.00 81.55 6 A 1 ATOM 46 C C . GLY A 0 6 . 9.287 -7.497 -3.240 1.00 81.55 6 A 1 ATOM 47 O O . GLY A 0 6 . 9.325 -6.287 -3.451 1.00 81.55 6 A 1 ATOM 48 N N . LYS A 0 7 . 10.289 -8.297 -3.634 1.00 87.85 7 A 1 ATOM 49 C CA . LYS A 0 7 . 11.386 -7.783 -4.463 1.00 87.85 7 A 1 ATOM 50 C C . LYS A 0 7 . 10.864 -7.429 -5.853 1.00 87.85 7 A 1 ATOM 51 C CB . LYS A 0 7 . 12.568 -8.760 -4.534 1.00 87.85 7 A 1 ATOM 52 O O . LYS A 0 7 . 10.073 -8.166 -6.438 1.00 87.85 7 A 1 ATOM 53 C CG . LYS A 0 7 . 13.288 -8.880 -3.184 1.00 87.85 7 A 1 ATOM 54 C CD . LYS A 0 7 . 14.512 -9.795 -3.310 1.00 87.85 7 A 1 ATOM 55 C CE . LYS A 0 7 . 15.216 -9.901 -1.954 1.00 87.85 7 A 1 ATOM 56 N NZ . LYS A 0 7 . 16.448 -10.727 -2.035 1.00 87.85 7 A 1 ATOM 57 N N . ILE A 0 8 . 11.370 -6.338 -6.415 1.00 88.29 8 A 1 ATOM 58 C CA . ILE A 0 8 . 11.066 -5.911 -7.782 1.00 88.29 8 A 1 ATOM 59 C C . ILE A 0 8 . 12.390 -5.774 -8.529 1.00 88.29 8 A 1 ATOM 60 C CB . ILE A 0 8 . 10.227 -4.612 -7.799 1.00 88.29 8 A 1 ATOM 61 O O . ILE A 0 8 . 13.288 -5.068 -8.077 1.00 88.29 8 A 1 ATOM 62 C CG1 . ILE A 0 8 . 8.967 -4.745 -6.907 1.00 88.29 8 A 1 ATOM 63 C CG2 . ILE A 0 8 . 9.837 -4.286 -9.253 1.00 88.29 8 A 1 ATOM 64 C CD1 . ILE A 0 8 . 8.119 -3.473 -6.808 1.00 88.29 8 A 1 ATOM 65 N N . ALA A 0 9 . 12.523 -6.474 -9.655 1.00 88.40 9 A 1 ATOM 66 C CA . ALA A 0 9 . 13.689 -6.395 -10.528 1.00 88.40 9 A 1 ATOM 67 C C . ALA A 0 9 . 13.324 -5.724 -11.854 1.00 88.40 9 A 1 ATOM 68 C CB . ALA A 0 9 . 14.298 -7.786 -10.727 1.00 88.40 9 A 1 ATOM 69 O O . ALA A 0 9 . 12.355 -6.115 -12.517 1.00 88.40 9 A 1 ATOM 70 N N . PHE A 0 10 . 14.136 -4.743 -12.239 1.00 84.61 10 A 1 ATOM 71 C CA . PHE A 0 10 . 14.053 -4.028 -13.507 1.00 84.61 10 A 1 ATOM 72 C C . PHE A 0 10 . 15.201 -4.481 -14.402 1.00 84.61 10 A 1 ATOM 73 C CB . PHE A 0 10 . 14.085 -2.514 -13.260 1.00 84.61 10 A 1 ATOM 74 O O . PHE A 0 10 . 16.350 -4.513 -13.965 1.00 84.61 10 A 1 ATOM 75 C CG . PHE A 0 10 . 12.917 -2.027 -12.428 1.00 84.61 10 A 1 ATOM 76 C CD1 . PHE A 0 10 . 11.699 -1.703 -13.053 1.00 84.61 10 A 1 ATOM 77 C CD2 . PHE A 0 10 . 13.029 -1.946 -11.026 1.00 84.61 10 A 1 ATOM 78 C CE1 . PHE A 0 10 . 10.591 -1.318 -12.279 1.00 84.61 10 A 1 ATOM 79 C CE2 . PHE A 0 10 . 11.920 -1.563 -10.253 1.00 84.61 10 A 1 ATOM 80 C CZ . PHE A 0 10 . 10.699 -1.263 -10.880 1.00 84.61 10 A 1 ATOM 81 N N . TYR A 0 11 . 14.872 -4.830 -15.642 1.00 86.72 11 A 1 ATOM 82 C CA . TYR A 0 11 . 15.834 -5.216 -16.664 1.00 86.72 11 A 1 ATOM 83 C C . TYR A 0 11 . 15.708 -4.228 -17.813 1.00 86.72 11 A 1 ATOM 84 C CB . TYR A 0 11 . 15.591 -6.659 -17.123 1.00 86.72 11 A 1 ATOM 85 O O . TYR A 0 11 . 14.599 -3.940 -18.260 1.00 86.72 11 A 1 ATOM 86 C CG . TYR A 0 11 . 15.832 -7.687 -16.034 1.00 86.72 11 A 1 ATOM 87 C CD1 . TYR A 0 11 . 17.112 -8.250 -15.868 1.00 86.72 11 A 1 ATOM 88 C CD2 . TYR A 0 11 . 14.780 -8.067 -15.178 1.00 86.72 11 A 1 ATOM 89 C CE1 . TYR A 0 11 . 17.344 -9.190 -14.846 1.00 86.72 11 A 1 ATOM 90 C CE2 . TYR A 0 11 . 15.007 -9.005 -14.154 1.00 86.72 11 A 1 ATOM 91 O OH . TYR A 0 11 . 16.502 -10.463 -12.987 1.00 86.72 11 A 1 ATOM 92 C CZ . TYR A 0 11 . 16.290 -9.566 -13.985 1.00 86.72 11 A 1 ATOM 93 N N . TYR A 0 12 . 16.844 -3.706 -18.255 1.00 81.00 12 A 1 ATOM 94 C CA . TYR A 0 12 . 16.931 -2.825 -19.407 1.00 81.00 12 A 1 ATOM 95 C C . TYR A 0 12 . 17.617 -3.612 -20.518 1.00 81.00 12 A 1 ATOM 96 C CB . TYR A 0 12 . 17.697 -1.552 -19.025 1.00 81.00 12 A 1 ATOM 97 O O . TYR A 0 12 . 18.731 -4.093 -20.317 1.00 81.00 12 A 1 ATOM 98 C CG . TYR A 0 12 . 17.063 -0.752 -17.900 1.00 81.00 12 A 1 ATOM 99 C CD1 . TYR A 0 12 . 16.067 0.199 -18.191 1.00 81.00 12 A 1 ATOM 100 C CD2 . TYR A 0 12 . 17.465 -0.960 -16.565 1.00 81.00 12 A 1 ATOM 101 C CE1 . TYR A 0 12 . 15.474 0.942 -17.151 1.00 81.00 12 A 1 ATOM 102 C CE2 . TYR A 0 12 . 16.875 -0.220 -15.522 1.00 81.00 12 A 1 ATOM 103 O OH . TYR A 0 12 . 15.312 1.459 -14.816 1.00 81.00 12 A 1 ATOM 104 C CZ . TYR A 0 12 . 15.879 0.735 -15.817 1.00 81.00 12 A 1 ATOM 105 N N . GLU A 0 13 . 16.938 -3.781 -21.651 1.00 85.63 13 A 1 ATOM 106 C CA . GLU A 0 13 . 17.496 -4.463 -22.825 1.00 85.63 13 A 1 ATOM 107 C C . GLU A 0 13 . 18.611 -3.623 -23.458 1.00 85.63 13 A 1 ATOM 108 C CB . GLU A 0 13 . 16.344 -4.745 -23.797 1.00 85.63 13 A 1 ATOM 109 O O . GLU A 0 13 . 19.694 -4.125 -23.748 1.00 85.63 13 A 1 ATOM 110 C CG . GLU A 0 13 . 16.761 -5.598 -25.003 1.00 85.63 13 A 1 ATOM 111 C CD . GLU A 0 13 . 15.548 -6.106 -25.801 1.00 85.63 13 A 1 ATOM 112 O OE1 . GLU A 0 13 . 15.724 -7.105 -26.533 1.00 85.63 13 A 1 ATOM 113 O OE2 . GLU A 0 13 . 14.445 -5.532 -25.635 1.00 85.63 13 A 1 ATOM 114 N N . GLU A 0 14 . 18.390 -2.309 -23.535 1.00 83.89 14 A 1 ATOM 115 C CA . GLU A 0 14 . 19.395 -1.331 -23.926 1.00 83.89 14 A 1 ATOM 116 C C . GLU A 0 14 . 19.410 -0.149 -22.952 1.00 83.89 14 A 1 ATOM 117 C CB . GLU A 0 14 . 19.164 -0.851 -25.365 1.00 83.89 14 A 1 ATOM 118 O O . GLU A 0 14 . 18.372 0.358 -22.522 1.00 83.89 14 A 1 ATOM 119 C CG . GLU A 0 14 . 19.316 -1.981 -26.399 1.00 83.89 14 A 1 ATOM 120 C CD . GLU A 0 14 . 19.343 -1.464 -27.845 1.00 83.89 14 A 1 ATOM 121 O OE1 . GLU A 0 14 . 19.746 -2.253 -28.729 1.00 83.89 14 A 1 ATOM 122 O OE2 . GLU A 0 14 . 19.054 -0.262 -28.056 1.00 83.89 14 A 1 ATOM 123 N N . VAL A 0 15 . 20.613 0.316 -22.615 1.00 78.36 15 A 1 ATOM 124 C CA . VAL A 0 15 . 20.841 1.561 -21.874 1.00 78.36 15 A 1 ATOM 125 C C . VAL A 0 15 . 21.709 2.481 -22.721 1.00 78.36 15 A 1 ATOM 126 C CB . VAL A 0 15 . 21.438 1.330 -20.470 1.00 78.36 15 A 1 ATOM 127 O O . VAL A 0 15 . 22.674 2.040 -23.351 1.00 78.36 15 A 1 ATOM 128 C CG1 . VAL A 0 15 . 20.434 0.613 -19.563 1.00 78.36 15 A 1 ATOM 129 C CG2 . VAL A 0 15 . 22.746 0.529 -20.474 1.00 78.36 15 A 1 ATOM 130 N N . SER A 0 16 . 21.367 3.770 -22.758 1.00 79.12 16 A 1 ATOM 131 C CA . SER A 0 16 . 22.097 4.738 -23.577 1.00 79.12 16 A 1 ATOM 132 C C . SER A 0 16 . 23.569 4.809 -23.166 1.00 79.12 16 A 1 ATOM 133 C CB . SER A 0 16 . 21.462 6.125 -23.491 1.00 79.12 16 A 1 ATOM 134 O O . SER A 0 16 . 23.896 5.152 -22.030 1.00 79.12 16 A 1 ATOM 135 O OG . SER A 0 16 . 22.196 7.027 -24.301 1.00 79.12 16 A 1 ATOM 136 N N . LYS A 0 17 . 24.466 4.544 -24.122 1.00 76.93 17 A 1 ATOM 137 C CA . LYS A 0 17 . 25.924 4.642 -23.934 1.00 76.93 17 A 1 ATOM 138 C C . LYS A 0 17 . 26.426 6.088 -23.871 1.00 76.93 17 A 1 ATOM 139 C CB . LYS A 0 17 . 26.653 3.879 -25.052 1.00 76.93 17 A 1 ATOM 140 O O . LYS A 0 17 . 27.590 6.308 -23.551 1.00 76.93 17 A 1 ATOM 141 C CG . LYS A 0 17 . 26.333 2.377 -25.062 1.00 76.93 17 A 1 ATOM 142 C CD . LYS A 0 17 . 27.103 1.663 -26.182 1.00 76.93 17 A 1 ATOM 143 C CE . LYS A 0 17 . 26.704 0.183 -26.216 1.00 76.93 17 A 1 ATOM 144 N NZ . LYS A 0 17 . 27.326 -0.540 -27.354 1.00 76.93 17 A 1 ATOM 145 N N . ALA A 0 18 . 25.575 7.067 -24.194 1.00 80.30 18 A 1 ATOM 146 C CA . ALA A 0 18 . 25.945 8.482 -24.180 1.00 80.30 18 A 1 ATOM 147 C C . ALA A 0 18 . 26.242 8.994 -22.760 1.00 80.30 18 A 1 ATOM 148 C CB . ALA A 0 18 . 24.814 9.284 -24.835 1.00 80.30 18 A 1 ATOM 149 O O . ALA A 0 18 . 26.973 9.968 -22.588 1.00 80.30 18 A 1 ATOM 150 N N . ILE A 0 19 . 25.689 8.332 -21.741 1.00 73.93 19 A 1 ATOM 151 C CA . ILE A 0 19 . 25.850 8.706 -20.340 1.00 73.93 19 A 1 ATOM 152 C C . ILE A 0 19 . 27.000 7.885 -19.754 1.00 73.93 19 A 1 ATOM 153 C CB . ILE A 0 19 . 24.519 8.529 -19.573 1.00 73.93 19 A 1 ATOM 154 O O . ILE A 0 19 . 26.975 6.655 -19.773 1.00 73.93 19 A 1 ATOM 155 C CG1 . ILE A 0 19 . 23.361 9.262 -20.298 1.00 73.93 19 A 1 ATOM 156 C CG2 . ILE A 0 19 . 24.682 9.058 -18.136 1.00 73.93 19 A 1 ATOM 157 C CD1 . ILE A 0 19 . 21.990 9.094 -19.635 1.00 73.93 19 A 1 ATOM 158 N N . LYS A 0 20 . 28.022 8.559 -19.213 1.00 74.87 20 A 1 ATOM 159 C CA . LYS A 0 20 . 29.116 7.871 -18.511 1.00 74.87 20 A 1 ATOM 160 C C . LYS A 0 20 . 28.548 7.120 -17.307 1.00 74.87 20 A 1 ATOM 161 C CB . LYS A 0 20 . 30.210 8.861 -18.082 1.00 74.87 20 A 1 ATOM 162 O O . LYS A 0 20 . 27.684 7.643 -16.610 1.00 74.87 20 A 1 ATOM 163 C CG . LYS A 0 20 . 30.940 9.471 -19.287 1.00 74.87 20 A 1 ATOM 164 C CD . LYS A 0 20 . 32.119 10.342 -18.834 1.00 74.87 20 A 1 ATOM 165 C CE . LYS A 0 20 . 32.817 10.947 -20.058 1.00 74.87 20 A 1 ATOM 166 N NZ . LYS A 0 20 . 33.987 11.779 -19.677 1.00 74.87 20 A 1 ATOM 167 N N . GLY A 0 21 . 29.062 5.921 -17.023 1.00 69.15 21 A 1 ATOM 168 C CA . GLY A 0 21 . 28.504 5.038 -15.988 1.00 69.15 21 A 1 ATOM 169 C C . GLY A 0 21 . 28.340 5.684 -14.604 1.00 69.15 21 A 1 ATOM 170 O O . GLY A 0 21 . 27.374 5.395 -13.910 1.00 69.15 21 A 1 ATOM 171 N N . ASN A 0 22 . 29.213 6.624 -14.226 1.00 76.71 22 A 1 ATOM 172 C CA . ASN A 0 22 . 29.122 7.357 -12.957 1.00 76.71 22 A 1 ATOM 173 C C . ASN A 0 22 . 28.051 8.468 -12.927 1.00 76.71 22 A 1 ATOM 174 C CB . ASN A 0 22 . 30.513 7.914 -12.603 1.00 76.71 22 A 1 ATOM 175 O O . ASN A 0 22 . 27.773 9.016 -11.863 1.00 76.71 22 A 1 ATOM 176 C CG . ASN A 0 22 . 31.013 9.001 -13.545 1.00 76.71 22 A 1 ATOM 177 N ND2 . ASN A 0 22 . 31.924 9.826 -13.088 1.00 76.71 22 A 1 ATOM 178 O OD1 . ASN A 0 22 . 30.636 9.107 -14.702 1.00 76.71 22 A 1 ATOM 179 N N . GLN A 0 23 . 27.469 8.827 -14.073 1.00 76.05 23 A 1 ATOM 180 C CA . GLN A 0 23 . 26.397 9.820 -14.192 1.00 76.05 23 A 1 ATOM 181 C C . GLN A 0 23 . 25.007 9.183 -14.285 1.00 76.05 23 A 1 ATOM 182 C CB . GLN A 0 23 . 26.650 10.707 -15.418 1.00 76.05 23 A 1 ATOM 183 O O . GLN A 0 23 . 24.008 9.886 -14.132 1.00 76.05 23 A 1 ATOM 184 C CG . GLN A 0 23 . 27.897 11.584 -15.264 1.00 76.05 23 A 1 ATOM 185 C CD . GLN A 0 23 . 28.068 12.537 -16.440 1.00 76.05 23 A 1 ATOM 186 N NE2 . GLN A 0 23 . 28.590 13.723 -16.218 1.00 76.05 23 A 1 ATOM 187 O OE1 . GLN A 0 23 . 27.760 12.238 -17.582 1.00 76.05 23 A 1 ATOM 188 N N . VAL A 0 24 . 24.923 7.870 -14.521 1.00 77.06 24 A 1 ATOM 189 C CA . VAL A 0 24 . 23.643 7.164 -14.602 1.00 77.06 24 A 1 ATOM 190 C C . VAL A 0 24 . 23.008 7.127 -13.215 1.00 77.06 24 A 1 ATOM 191 C CB . VAL A 0 24 . 23.796 5.746 -15.186 1.00 77.06 24 A 1 ATOM 192 O O . VAL A 0 24 . 23.511 6.484 -12.296 1.00 77.06 24 A 1 ATOM 193 C CG1 . VAL A 0 24 . 22.429 5.056 -15.301 1.00 77.06 24 A 1 ATOM 194 C CG2 . VAL A 0 24 . 24.413 5.783 -16.591 1.00 77.06 24 A 1 ATOM 195 N N . LYS A 0 25 . 21.872 7.809 -13.065 1.00 77.73 25 A 1 ATOM 196 C CA . LYS A 0 25 . 21.020 7.726 -11.878 1.00 77.73 25 A 1 ATOM 197 C C . LYS A 0 25 . 19.736 7.009 -12.259 1.00 77.73 25 A 1 ATOM 198 C CB . LYS A 0 25 . 20.746 9.121 -11.301 1.00 77.73 25 A 1 ATOM 199 O O . LYS A 0 25 . 19.040 7.437 -13.172 1.00 77.73 25 A 1 ATOM 200 C CG . LYS A 0 25 . 22.022 9.780 -10.757 1.00 77.73 25 A 1 ATOM 201 C CD . LYS A 0 25 . 21.688 11.108 -10.069 1.00 77.73 25 A 1 ATOM 202 C CE . LYS A 0 25 . 22.971 11.766 -9.552 1.00 77.73 25 A 1 ATOM 203 N NZ . LYS A 0 25 . 22.680 13.038 -8.843 1.00 77.73 25 A 1 ATOM 204 N N . SER A 0 26 . 19.426 5.931 -11.548 1.00 78.48 26 A 1 ATOM 205 C CA . SER A 0 26 . 18.121 5.276 -11.647 1.00 78.48 26 A 1 ATOM 206 C C . SER A 0 26 . 17.184 5.900 -10.619 1.00 78.48 26 A 1 ATOM 207 C CB . SER A 0 26 . 18.253 3.770 -11.427 1.00 78.48 26 A 1 ATOM 208 O O . SER A 0 26 . 17.560 6.052 -9.459 1.00 78.48 26 A 1 ATOM 209 O OG . SER A 0 26 . 19.063 3.208 -12.440 1.00 78.48 26 A 1 ATOM 210 N N . SER A 0 27 . 15.979 6.270 -11.038 1.00 80.89 27 A 1 ATOM 211 C CA . SER A 0 27 . 14.926 6.762 -10.150 1.00 80.89 27 A 1 ATOM 212 C C . SER A 0 27 . 13.621 6.065 -10.497 1.00 80.89 27 A 1 ATOM 213 C CB . SER A 0 27 . 14.771 8.279 -10.270 1.00 80.89 27 A 1 ATOM 214 O O . SER A 0 27 . 13.347 5.819 -11.671 1.00 80.89 27 A 1 ATOM 215 O OG . SER A 0 27 . 13.816 8.727 -9.330 1.00 80.89 27 A 1 ATOM 216 N N . LEU A 0 28 . 12.826 5.752 -9.478 1.00 80.54 28 A 1 ATOM 217 C CA . LEU A 0 28 . 11.475 5.239 -9.638 1.00 80.54 28 A 1 ATOM 218 C C . LEU A 0 28 . 10.512 6.310 -9.137 1.00 80.54 28 A 1 ATOM 219 C CB . LEU A 0 28 . 11.359 3.884 -8.921 1.00 80.54 28 A 1 ATOM 220 O O . LEU A 0 28 . 10.500 6.634 -7.951 1.00 80.54 28 A 1 ATOM 221 C CG . LEU A 0 28 . 10.056 3.138 -9.264 1.00 80.54 28 A 1 ATOM 222 C CD1 . LEU A 0 28 . 10.311 1.634 -9.261 1.00 80.54 28 A 1 ATOM 223 C CD2 . LEU A 0 28 . 8.930 3.425 -8.270 1.00 80.54 28 A 1 ATOM 224 N N . ILE A 0 29 . 9.726 6.874 -10.050 1.00 85.81 29 A 1 ATOM 225 C CA . ILE A 0 29 . 8.691 7.853 -9.720 1.00 85.81 29 A 1 ATOM 226 C C . ILE A 0 29 . 7.357 7.118 -9.764 1.00 85.81 29 A 1 ATOM 227 C CB . ILE A 0 29 . 8.740 9.079 -10.659 1.00 85.81 29 A 1 ATOM 228 O O . ILE A 0 29 . 6.939 6.643 -10.816 1.00 85.81 29 A 1 ATOM 229 C CG1 . ILE A 0 29 . 10.138 9.743 -10.619 1.00 85.81 29 A 1 ATOM 230 C CG2 . ILE A 0 29 . 7.645 10.081 -10.243 1.00 85.81 29 A 1 ATOM 231 C CD1 . ILE A 0 29 . 10.317 10.886 -11.626 1.00 85.81 29 A 1 ATOM 232 N N . GLY A 0 30 . 6.706 7.008 -8.611 1.00 82.13 30 A 1 ATOM 233 C CA . GLY A 0 30 . 5.389 6.399 -8.475 1.00 82.13 30 A 1 ATOM 234 C C . GLY A 0 30 . 4.430 7.344 -7.765 1.00 82.13 30 A 1 ATOM 235 O O . GLY A 0 30 . 4.839 8.132 -6.913 1.00 82.13 30 A 1 ATOM 236 N N . ARG A 0 31 . 3.143 7.246 -8.102 1.00 81.65 31 A 1 ATOM 237 C CA . ARG A 0 31 . 2.054 7.846 -7.330 1.00 81.65 31 A 1 ATOM 238 C C . ARG A 0 31 . 1.261 6.713 -6.702 1.00 81.65 31 A 1 ATOM 239 C CB . ARG A 0 31 . 1.193 8.738 -8.236 1.00 81.65 31 A 1 ATOM 240 O O . ARG A 0 31 . 0.642 5.935 -7.417 1.00 81.65 31 A 1 ATOM 241 C CG . ARG A 0 31 . 0.105 9.472 -7.436 1.00 81.65 31 A 1 ATOM 242 C CD . ARG A 0 31 . -0.745 10.340 -8.369 1.00 81.65 31 A 1 ATOM 243 N NE . ARG A 0 31 . -1.727 11.146 -7.618 1.00 81.65 31 A 1 ATOM 244 N NH1 . ARG A 0 31 . -2.766 12.106 -9.430 1.00 81.65 31 A 1 ATOM 245 N NH2 . ARG A 0 31 . -3.458 12.608 -7.371 1.00 81.65 31 A 1 ATOM 246 C CZ . ARG A 0 31 . -2.640 11.947 -8.141 1.00 81.65 31 A 1 ATOM 247 N N . ILE A 0 32 . 1.285 6.634 -5.378 1.00 72.57 32 A 1 ATOM 248 C CA . ILE A 0 32 . 0.430 5.719 -4.625 1.00 72.57 32 A 1 ATOM 249 C C . ILE A 0 32 . -0.756 6.545 -4.149 1.00 72.57 32 A 1 ATOM 250 C CB . ILE A 0 32 . 1.198 5.036 -3.473 1.00 72.57 32 A 1 ATOM 251 O O . ILE A 0 32 . -0.590 7.509 -3.404 1.00 72.57 32 A 1 ATOM 252 C CG1 . ILE A 0 32 . 2.444 4.293 -4.014 1.00 72.57 32 A 1 ATOM 253 C CG2 . ILE A 0 32 . 0.258 4.062 -2.738 1.00 72.57 32 A 1 ATOM 254 C CD1 . ILE A 0 32 . 3.363 3.740 -2.920 1.00 72.57 32 A 1 ATOM 255 N N . THR A 0 33 . -1.947 6.212 -4.627 1.00 62.68 33 A 1 ATOM 256 C CA . THR A 0 33 . -3.190 6.779 -4.111 1.00 62.68 33 A 1 ATOM 257 C C . THR A 0 33 . -3.759 5.809 -3.096 1.00 62.68 33 A 1 ATOM 258 C CB . THR A 0 33 . -4.205 7.045 -5.232 1.00 62.68 33 A 1 ATOM 259 O O . THR A 0 33 . -4.119 4.692 -3.455 1.00 62.68 33 A 1 ATOM 260 C CG2 . THR A 0 33 . -3.756 8.210 -6.116 1.00 62.68 33 A 1 ATOM 261 O OG1 . THR A 0 33 . -4.331 5.922 -6.071 1.00 62.68 33 A 1 ATOM 262 N N . CYS A 0 34 . -3.869 6.227 -1.839 1.00 56.47 34 A 1 ATOM 263 C CA . CYS A 0 34 . -4.753 5.530 -0.918 1.00 56.47 34 A 1 ATOM 264 C C . CYS A 0 34 . -6.180 5.782 -1.410 1.00 56.47 34 A 1 ATOM 265 C CB . CYS A 0 34 . -4.538 6.035 0.515 1.00 56.47 34 A 1 ATOM 266 O O . CYS A 0 34 . -6.594 6.939 -1.498 1.00 56.47 34 A 1 ATOM 267 S SG . CYS A 0 34 . -2.814 5.755 1.017 1.00 56.47 34 A 1 ATOM 268 N N . GLY A 0 35 . -6.919 4.728 -1.756 1.00 55.19 35 A 1 ATOM 269 C CA . GLY A 0 35 . -8.363 4.835 -1.907 1.00 55.19 35 A 1 ATOM 270 C C . GLY A 0 35 . -8.931 5.190 -0.542 1.00 55.19 35 A 1 ATOM 271 O O . GLY A 0 35 . -9.085 4.318 0.309 1.00 55.19 35 A 1 ATOM 272 N N . ILE A 0 36 . -9.153 6.474 -0.267 1.00 50.51 36 A 1 ATOM 273 C CA . ILE A 0 36 . -9.862 6.885 0.942 1.00 50.51 36 A 1 ATOM 274 C C . ILE A 0 36 . -11.341 6.641 0.649 1.00 50.51 36 A 1 ATOM 275 C CB . ILE A 0 36 . -9.559 8.335 1.401 1.00 50.51 36 A 1 ATOM 276 O O . ILE A 0 36 . -12.082 7.562 0.325 1.00 50.51 36 A 1 ATOM 277 C CG1 . ILE A 0 36 . -8.101 8.775 1.149 1.00 50.51 36 A 1 ATOM 278 C CG2 . ILE A 0 36 . -9.916 8.434 2.899 1.00 50.51 36 A 1 ATOM 279 C CD1 . ILE A 0 36 . -7.844 10.248 1.485 1.00 50.51 36 A 1 ATOM 280 N N . ASN A 0 37 . -11.766 5.381 0.697 1.00 56.47 37 A 1 ATOM 281 C CA . ASN A 0 37 . -13.179 5.106 0.914 1.00 56.47 37 A 1 ATOM 282 C C . ASN A 0 37 . -13.509 5.669 2.303 1.00 56.47 37 A 1 ATOM 283 C CB . ASN A 0 37 . -13.442 3.597 0.768 1.00 56.47 37 A 1 ATOM 284 O O . ASN A 0 37 . -12.656 5.618 3.191 1.00 56.47 37 A 1 ATOM 285 C CG . ASN A 0 37 . -13.150 3.094 -0.639 1.00 56.47 37 A 1 ATOM 286 N ND2 . ASN A 0 37 . -12.813 1.835 -0.787 1.00 56.47 37 A 1 ATOM 287 O OD1 . ASN A 0 37 . -13.199 3.820 -1.616 1.00 56.47 37 A 1 ATOM 288 N N . GLU A 0 38 . -14.703 6.216 2.520 1.00 57.68 38 A 1 ATOM 289 C CA . GLU A 0 38 . -15.078 6.816 3.814 1.00 57.68 38 A 1 ATOM 290 C C . GLU A 0 38 . -14.830 5.852 4.996 1.00 57.68 38 A 1 ATOM 291 C CB . GLU A 0 38 . -16.546 7.262 3.753 1.00 57.68 38 A 1 ATOM 292 O O . GLU A 0 38 . -14.386 6.266 6.071 1.00 57.68 38 A 1 ATOM 293 C CG . GLU A 0 38 . -16.745 8.435 2.775 1.00 57.68 38 A 1 ATOM 294 C CD . GLU A 0 38 . -18.198 8.929 2.697 1.00 57.68 38 A 1 ATOM 295 O OE1 . GLU A 0 38 . -18.386 10.060 2.195 1.00 57.68 38 A 1 ATOM 296 O OE2 . GLU A 0 38 . -19.098 8.180 3.133 1.00 57.68 38 A 1 ATOM 297 N N . GLY A 0 39 . -14.952 4.539 4.752 1.00 58.70 39 A 1 ATOM 298 C CA . GLY A 0 39 . -14.591 3.484 5.703 1.00 58.70 39 A 1 ATOM 299 C C . GLY A 0 39 . -13.133 3.487 6.175 1.00 58.70 39 A 1 ATOM 300 O O . GLY A 0 39 . -12.865 3.164 7.333 1.00 58.70 39 A 1 ATOM 301 N N . ASN A 0 40 . -12.186 3.934 5.346 1.00 64.31 40 A 1 ATOM 302 C CA . ASN A 0 40 . -10.767 3.991 5.704 1.00 64.31 40 A 1 ATOM 303 C C . ASN A 0 40 . -10.439 5.078 6.729 1.00 64.31 40 A 1 ATOM 304 C CB . ASN A 0 40 . -9.889 4.136 4.441 1.00 64.31 40 A 1 ATOM 305 O O . ASN A 0 40 . -9.392 4.994 7.358 1.00 64.31 40 A 1 ATOM 306 C CG . ASN A 0 40 . -9.557 2.802 3.800 1.00 64.31 40 A 1 ATOM 307 N ND2 . ASN A 0 40 . -8.984 2.784 2.624 1.00 64.31 40 A 1 ATOM 308 O OD1 . ASN A 0 40 . -9.772 1.741 4.352 1.00 64.31 40 A 1 ATOM 309 N N . GLN A 0 41 . -11.297 6.081 6.939 1.00 73.33 41 A 1 ATOM 310 C CA . GLN A 0 41 . -11.104 7.042 8.033 1.00 73.33 41 A 1 ATOM 311 C C . GLN A 0 41 . -11.875 6.645 9.298 1.00 73.33 41 A 1 ATOM 312 C CB . GLN A 0 41 . -11.463 8.451 7.545 1.00 73.33 41 A 1 ATOM 313 O O . GLN A 0 41 . -11.571 7.136 10.386 1.00 73.33 41 A 1 ATOM 314 C CG . GLN A 0 41 . -10.831 9.521 8.450 1.00 73.33 41 A 1 ATOM 315 C CD . GLN A 0 41 . -11.036 10.938 7.934 1.00 73.33 41 A 1 ATOM 316 N NE2 . GLN A 0 41 . -10.290 11.900 8.431 1.00 73.33 41 A 1 ATOM 317 O OE1 . GLN A 0 41 . -11.873 11.229 7.104 1.00 73.33 41 A 1 ATOM 318 N N . HIS A 0 42 . -12.866 5.764 9.168 1.00 83.67 42 A 1 ATOM 319 C CA . HIS A 0 42 . -13.715 5.320 10.267 1.00 83.67 42 A 1 ATOM 320 C C . HIS A 0 42 . -12.983 4.350 11.199 1.00 83.67 42 A 1 ATOM 321 C CB . HIS A 0 42 . -14.995 4.728 9.673 1.00 83.67 42 A 1 ATOM 322 O O . HIS A 0 42 . -12.796 4.649 12.377 1.00 83.67 42 A 1 ATOM 323 C CG . HIS A 0 42 . -15.985 4.355 10.731 1.00 83.67 42 A 1 ATOM 324 C CD2 . HIS A 0 42 . -16.379 3.089 11.025 1.00 83.67 42 A 1 ATOM 325 N ND1 . HIS A 0 42 . -16.630 5.258 11.579 1.00 83.67 42 A 1 ATOM 326 C CE1 . HIS A 0 42 . -17.422 4.503 12.358 1.00 83.67 42 A 1 ATOM 327 N NE2 . HIS A 0 42 . -17.288 3.207 12.044 1.00 83.67 42 A 1 ATOM 328 N N . CYS A 0 43 . -12.472 3.242 10.656 1.00 86.85 43 A 1 ATOM 329 C CA . CYS A 0 43 . -11.856 2.181 11.455 1.00 86.85 43 A 1 ATOM 330 C C . CYS A 0 43 . -10.548 2.602 12.168 1.00 86.85 43 A 1 ATOM 331 C CB . CYS A 0 43 . -11.663 0.935 10.579 1.00 86.85 43 A 1 ATOM 332 O O . CYS A 0 43 . -10.424 2.335 13.365 1.00 86.85 43 A 1 ATOM 333 S SG . CYS A 0 43 . -13.141 0.339 9.715 1.00 86.85 43 A 1 ATOM 334 N N . PRO A 0 44 . -9.585 3.313 11.536 1.00 85.93 44 A 1 ATOM 335 C CA . PRO A 0 44 . -8.279 3.581 12.161 1.00 85.93 44 A 1 ATOM 336 C C . PRO A 0 44 . -8.302 4.479 13.402 1.00 85.93 44 A 1 ATOM 337 C CB . PRO A 0 44 . -7.400 4.188 11.068 1.00 85.93 44 A 1 ATOM 338 O O . PRO A 0 44 . -7.275 4.640 14.057 1.00 85.93 44 A 1 ATOM 339 C CG . PRO A 0 44 . -8.019 3.638 9.794 1.00 85.93 44 A 1 ATOM 340 C CD . PRO A 0 44 . -9.510 3.673 10.125 1.00 85.93 44 A 1 ATOM 341 N N . LYS A 0 45 . -9.454 5.064 13.749 1.00 86.54 45 A 1 ATOM 342 C CA . LYS A 0 45 . -9.637 5.825 14.994 1.00 86.54 45 A 1 ATOM 343 C C . LYS A 0 45 . -9.631 4.931 16.236 1.00 86.54 45 A 1 ATOM 344 C CB . LYS A 0 45 . -10.954 6.605 14.919 1.00 86.54 45 A 1 ATOM 345 O O . LYS A 0 45 . -9.421 5.427 17.341 1.00 86.54 45 A 1 ATOM 346 C CG . LYS A 0 45 . -10.929 7.669 13.814 1.00 86.54 45 A 1 ATOM 347 C CD . LYS A 0 45 . -12.296 8.350 13.721 1.00 86.54 45 A 1 ATOM 348 C CE . LYS A 0 45 . -12.302 9.367 12.579 1.00 86.54 45 A 1 ATOM 349 N NZ . LYS A 0 45 . -13.675 9.860 12.319 1.00 86.54 45 A 1 ATOM 350 N N . HIS A 0 46 . -9.866 3.632 16.066 1.00 88.95 46 A 1 ATOM 351 C CA . HIS A 0 46 . -9.947 2.671 17.155 1.00 88.95 46 A 1 ATOM 352 C C . HIS A 0 46 . -8.588 2.004 17.383 1.00 88.95 46 A 1 ATOM 353 C CB . HIS A 0 46 . -11.070 1.671 16.855 1.00 88.95 46 A 1 ATOM 354 O O . HIS A 0 46 . -8.040 1.347 16.501 1.00 88.95 46 A 1 ATOM 355 C CG . HIS A 0 46 . -12.399 2.364 16.681 1.00 88.95 46 A 1 ATOM 356 C CD2 . HIS A 0 46 . -12.975 2.739 15.496 1.00 88.95 46 A 1 ATOM 357 N ND1 . HIS A 0 46 . -13.207 2.844 17.687 1.00 88.95 46 A 1 ATOM 358 C CE1 . HIS A 0 46 . -14.246 3.479 17.121 1.00 88.95 46 A 1 ATOM 359 N NE2 . HIS A 0 46 . -14.127 3.474 15.789 1.00 88.95 46 A 1 ATOM 360 N N . ASN A 0 47 . -8.052 2.155 18.593 1.00 89.32 47 A 1 ATOM 361 C CA . ASN A 0 47 . -6.733 1.661 19.005 1.00 89.32 47 A 1 ATOM 362 C C . ASN A 0 47 . -6.813 0.385 19.865 1.00 89.32 47 A 1 ATOM 363 C CB . ASN A 0 47 . -5.988 2.805 19.716 1.00 89.32 47 A 1 ATOM 364 O O . ASN A 0 47 . -5.911 0.094 20.646 1.00 89.32 47 A 1 ATOM 365 C CG . ASN A 0 47 . -6.644 3.238 21.019 1.00 89.32 47 A 1 ATOM 366 N ND2 . ASN A 0 47 . -6.025 4.137 21.744 1.00 89.32 47 A 1 ATOM 367 O OD1 . ASN A 0 47 . -7.726 2.812 21.392 1.00 89.32 47 A 1 ATOM 368 N N . SER A 0 48 . -7.925 -0.346 19.793 1.00 90.19 48 A 1 ATOM 369 C CA . SER A 0 48 . -8.158 -1.571 20.559 1.00 90.19 48 A 1 ATOM 370 C C . SER A 0 48 . -9.133 -2.489 19.826 1.00 90.19 48 A 1 ATOM 371 C CB . SER A 0 48 . -8.701 -1.216 21.947 1.00 90.19 48 A 1 ATOM 372 O O . SER A 0 48 . -9.975 -2.021 19.058 1.00 90.19 48 A 1 ATOM 373 O OG . SER A 0 48 . -7.681 -0.650 22.739 1.00 90.19 48 A 1 ATOM 374 N N . ILE A 0 49 . -9.040 -3.793 20.105 1.00 90.11 49 A 1 ATOM 375 C CA . ILE A 0 49 . -9.794 -4.854 19.417 1.00 90.11 49 A 1 ATOM 376 C C . ILE A 0 49 . -11.308 -4.632 19.525 1.00 90.11 49 A 1 ATOM 377 C CB . ILE A 0 49 . -9.399 -6.248 19.966 1.00 90.11 49 A 1 ATOM 378 O O . ILE A 0 49 . -11.976 -4.531 18.500 1.00 90.11 49 A 1 ATOM 379 C CG1 . ILE A 0 49 . -7.884 -6.503 19.798 1.00 90.11 49 A 1 ATOM 380 C CG2 . ILE A 0 49 . -10.199 -7.353 19.248 1.00 90.11 49 A 1 ATOM 381 C CD1 . ILE A 0 49 . -7.344 -7.737 20.526 1.00 90.11 49 A 1 ATOM 382 N N . ASN A 0 50 . -11.842 -4.515 20.747 1.00 92.38 50 A 1 ATOM 383 C CA . ASN A 0 50 . -13.294 -4.431 20.942 1.00 92.38 50 A 1 ATOM 384 C C . ASN A 0 50 . -13.885 -3.157 20.310 1.00 92.38 50 A 1 ATOM 385 C CB . ASN A 0 50 . -13.698 -4.607 22.421 1.00 92.38 50 A 1 ATOM 386 O O . ASN A 0 50 . -14.784 -3.297 19.483 1.00 92.38 50 A 1 ATOM 387 C CG . ASN A 0 50 . -13.250 -5.903 23.068 1.00 92.38 50 A 1 ATOM 388 N ND2 . ASN A 0 50 . -13.589 -6.092 24.320 1.00 92.38 50 A 1 ATOM 389 O OD1 . ASN A 0 50 . -12.552 -6.731 22.508 1.00 92.38 50 A 1 ATOM 390 N N . PRO A 0 51 . -13.338 -1.942 20.556 1.00 91.87 51 A 1 ATOM 391 C CA . PRO A 0 51 . -13.829 -0.739 19.884 1.00 91.87 51 A 1 ATOM 392 C C . PRO A 0 51 . -13.730 -0.810 18.356 1.00 91.87 51 A 1 ATOM 393 C CB . PRO A 0 51 . -12.984 0.420 20.426 1.00 91.87 51 A 1 ATOM 394 O O . PRO A 0 51 . -14.585 -0.268 17.670 1.00 91.87 51 A 1 ATOM 395 C CG . PRO A 0 51 . -12.529 -0.079 21.791 1.00 91.87 51 A 1 ATOM 396 C CD . PRO A 0 51 . -12.328 -1.569 21.541 1.00 91.87 51 A 1 ATOM 397 N N . CYS A 0 52 . -12.702 -1.474 17.814 1.00 90.54 52 A 1 ATOM 398 C CA . CYS A 0 52 . -12.551 -1.660 16.372 1.00 90.54 52 A 1 ATOM 399 C C . CYS A 0 52 . -13.672 -2.520 15.782 1.00 90.54 52 A 1 ATOM 400 C CB . CYS A 0 52 . -11.191 -2.314 16.105 1.00 90.54 52 A 1 ATOM 401 O O . CYS A 0 52 . -14.251 -2.165 14.762 1.00 90.54 52 A 1 ATOM 402 S SG . CYS A 0 52 . -10.887 -2.729 14.373 1.00 90.54 52 A 1 ATOM 403 N N . GLN A 0 53 . -13.989 -3.646 16.421 1.00 86.51 53 A 1 ATOM 404 C CA . GLN A 0 53 . -15.032 -4.552 15.942 1.00 86.51 53 A 1 ATOM 405 C C . GLN A 0 53 . -16.424 -3.920 16.065 1.00 86.51 53 A 1 ATOM 406 C CB . GLN A 0 53 . -14.943 -5.876 16.711 1.00 86.51 53 A 1 ATOM 407 O O . GLN A 0 53 . -17.222 -4.020 15.134 1.00 86.51 53 A 1 ATOM 408 C CG . GLN A 0 53 . -13.677 -6.655 16.327 1.00 86.51 53 A 1 ATOM 409 C CD . GLN A 0 53 . -13.563 -7.980 17.069 1.00 86.51 53 A 1 ATOM 410 N NE2 . GLN A 0 53 . -13.276 -9.064 16.381 1.00 86.51 53 A 1 ATOM 411 O OE1 . GLN A 0 53 . -13.709 -8.080 18.275 1.00 86.51 53 A 1 ATOM 412 N N . GLU A 0 54 . -16.682 -3.214 17.168 1.00 90.18 54 A 1 ATOM 413 C CA . GLU A 0 54 . -17.931 -2.483 17.424 1.00 90.18 54 A 1 ATOM 414 C C . GLU A 0 54 . -18.138 -1.285 16.488 1.00 90.18 54 A 1 ATOM 415 C CB . GLU A 0 54 . -17.933 -1.993 18.879 1.00 90.18 54 A 1 ATOM 416 O O . GLU A 0 54 . -19.270 -0.858 16.281 1.00 90.18 54 A 1 ATOM 417 C CG . GLU A 0 54 . -18.100 -3.142 19.886 1.00 90.18 54 A 1 ATOM 418 C CD . GLU A 0 54 . -17.917 -2.697 21.348 1.00 90.18 54 A 1 ATOM 419 O OE1 . GLU A 0 54 . -17.885 -3.598 22.220 1.00 90.18 54 A 1 ATOM 420 O OE2 . GLU A 0 54 . -17.778 -1.479 21.606 1.00 90.18 54 A 1 ATOM 421 N N . ALA A 0 55 . -17.068 -0.760 15.884 1.00 88.03 55 A 1 ATOM 422 C CA . ALA A 0 55 . -17.160 0.309 14.896 1.00 88.03 55 A 1 ATOM 423 C C . ALA A 0 55 . -17.780 -0.144 13.563 1.00 88.03 55 A 1 ATOM 424 C CB . ALA A 0 55 . -15.763 0.893 14.686 1.00 88.03 55 A 1 ATOM 425 O O . ALA A 0 55 . -18.094 0.701 12.729 1.00 88.03 55 A 1 ATOM 426 N N . THR A 0 56 . -17.957 -1.448 13.342 1.00 87.46 56 A 1 ATOM 427 C CA . THR A 0 56 . -18.567 -1.980 12.118 1.00 87.46 56 A 1 ATOM 428 C C . THR A 0 56 . -20.003 -1.473 11.943 1.00 87.46 56 A 1 ATOM 429 C CB . THR A 0 56 . -18.528 -3.512 12.133 1.00 87.46 56 A 1 ATOM 430 O O . THR A 0 56 . -20.843 -1.639 12.825 1.00 87.46 56 A 1 ATOM 431 C CG2 . THR A 0 56 . -19.251 -4.172 10.957 1.00 87.46 56 A 1 ATOM 432 O OG1 . THR A 0 56 . -17.180 -3.939 12.132 1.00 87.46 56 A 1 ATOM 433 N N . THR A 0 57 . -20.294 -0.880 10.787 1.00 85.13 57 A 1 ATOM 434 C CA . THR A 0 57 . -21.631 -0.438 10.363 1.00 85.13 57 A 1 ATOM 435 C C . THR A 0 57 . -22.154 -1.322 9.224 1.00 85.13 57 A 1 ATOM 436 C CB . THR A 0 57 . -21.631 1.048 9.961 1.00 85.13 57 A 1 ATOM 437 O O . THR A 0 57 . -21.478 -2.257 8.797 1.00 85.13 57 A 1 ATOM 438 C CG2 . THR A 0 57 . -21.087 1.960 11.062 1.00 85.13 57 A 1 ATOM 439 O OG1 . THR A 0 57 . -20.864 1.251 8.797 1.00 85.13 57 A 1 ATOM 440 N N . SER A 0 58 . -23.362 -1.049 8.716 1.00 80.74 58 A 1 ATOM 441 C CA . SER A 0 58 . -23.915 -1.759 7.549 1.00 80.74 58 A 1 ATOM 442 C C . SER A 0 58 . -23.070 -1.600 6.284 1.00 80.74 58 A 1 ATOM 443 C CB . SER A 0 58 . -25.331 -1.256 7.247 1.00 80.74 58 A 1 ATOM 444 O O . SER A 0 58 . -23.063 -2.506 5.457 1.00 80.74 58 A 1 ATOM 445 O OG . SER A 0 58 . -25.372 0.160 7.195 1.00 80.74 58 A 1 ATOM 446 N N . ASP A 0 59 . -22.361 -0.475 6.160 1.00 80.00 59 A 1 ATOM 447 C CA . ASP A 0 59 . -21.614 -0.104 4.952 1.00 80.00 59 A 1 ATOM 448 C C . ASP A 0 59 . -20.096 -0.276 5.122 1.00 80.00 59 A 1 ATOM 449 C CB . ASP A 0 59 . -21.935 1.356 4.584 1.00 80.00 59 A 1 ATOM 450 O O . ASP A 0 59 . -19.348 -0.239 4.149 1.00 80.00 59 A 1 ATOM 451 C CG . ASP A 0 59 . -23.434 1.674 4.544 1.00 80.00 59 A 1 ATOM 452 O OD1 . ASP A 0 59 . -24.234 0.807 4.127 1.00 80.00 59 A 1 ATOM 453 O OD2 . ASP A 0 59 . -23.797 2.767 5.029 1.00 80.00 59 A 1 ATOM 454 N N . ILE A 0 60 . -19.613 -0.403 6.364 1.00 82.32 60 A 1 ATOM 455 C CA . ILE A 0 60 . -18.185 -0.454 6.683 1.00 82.32 60 A 1 ATOM 456 C C . ILE A 0 60 . -17.946 -1.566 7.694 1.00 82.32 60 A 1 ATOM 457 C CB . ILE A 0 60 . -17.676 0.897 7.243 1.00 82.32 60 A 1 ATOM 458 O O . ILE A 0 60 . -18.322 -1.449 8.858 1.00 82.32 60 A 1 ATOM 459 C CG1 . ILE A 0 60 . -17.916 2.084 6.281 1.00 82.32 60 A 1 ATOM 460 C CG2 . ILE A 0 60 . -16.166 0.790 7.559 1.00 82.32 60 A 1 ATOM 461 C CD1 . ILE A 0 60 . -17.918 3.440 6.999 1.00 82.32 60 A 1 ATOM 462 N N . LYS A 0 61 . -17.231 -2.611 7.287 1.00 86.12 61 A 1 ATOM 463 C CA . LYS A 0 61 . -16.779 -3.669 8.192 1.00 86.12 61 A 1 ATOM 464 C C . LYS A 0 61 . -15.358 -3.380 8.664 1.00 86.12 61 A 1 ATOM 465 C CB . LYS A 0 61 . -17.027 -5.005 7.493 1.00 86.12 61 A 1 ATOM 466 O O . LYS A 0 61 . -14.442 -3.265 7.860 1.00 86.12 61 A 1 ATOM 467 C CG . LYS A 0 61 . -16.524 -6.240 8.251 1.00 86.12 61 A 1 ATOM 468 C CD . LYS A 0 61 . -16.854 -7.471 7.399 1.00 86.12 61 A 1 ATOM 469 C CE . LYS A 0 61 . -16.406 -8.777 8.050 1.00 86.12 61 A 1 ATOM 470 N NZ . LYS A 0 61 . -16.525 -9.886 7.068 1.00 86.12 61 A 1 ATOM 471 N N . CYS A 0 62 . -15.169 -3.225 9.972 1.00 86.60 62 A 1 ATOM 472 C CA . CYS A 0 62 . -13.863 -2.957 10.570 1.00 86.60 62 A 1 ATOM 473 C C . CYS A 0 62 . -13.242 -4.253 11.105 1.00 86.60 62 A 1 ATOM 474 C CB . CYS A 0 62 . -13.991 -1.896 11.667 1.00 86.60 62 A 1 ATOM 475 O O . CYS A 0 62 . -13.907 -5.066 11.747 1.00 86.60 62 A 1 ATOM 476 S SG . CYS A 0 62 . -14.473 -0.224 11.149 1.00 86.60 62 A 1 ATOM 477 N N . ILE A 0 63 . -11.946 -4.441 10.858 1.00 87.48 63 A 1 ATOM 478 C CA . ILE A 0 63 . -11.180 -5.609 11.297 1.00 87.48 63 A 1 ATOM 479 C C . ILE A 0 63 . -9.936 -5.174 12.070 1.00 87.48 63 A 1 ATOM 480 C CB . ILE A 0 63 . -10.856 -6.561 10.120 1.00 87.48 63 A 1 ATOM 481 O O . ILE A 0 63 . -9.248 -4.215 11.709 1.00 87.48 63 A 1 ATOM 482 C CG1 . ILE A 0 63 . -9.971 -5.910 9.033 1.00 87.48 63 A 1 ATOM 483 C CG2 . ILE A 0 63 . -12.172 -7.095 9.521 1.00 87.48 63 A 1 ATOM 484 C CD1 . ILE A 0 63 . -9.396 -6.904 8.016 1.00 87.48 63 A 1 ATOM 485 N N . TRP A 0 64 . -9.630 -5.901 13.145 1.00 89.16 64 A 1 ATOM 486 C CA . TRP A 0 64 . -8.410 -5.682 13.912 1.00 89.16 64 A 1 ATOM 487 C C . TRP A 0 64 . -7.253 -6.486 13.328 1.00 89.16 64 A 1 ATOM 488 C CB . TRP A 0 64 . -8.610 -6.022 15.387 1.00 89.16 64 A 1 ATOM 489 O O . TRP A 0 64 . -7.311 -7.712 13.230 1.00 89.16 64 A 1 ATOM 490 C CG . TRP A 0 64 . -7.395 -5.705 16.200 1.00 89.16 64 A 1 ATOM 491 C CD1 . TRP A 0 64 . -6.428 -6.577 16.575 1.00 89.16 64 A 1 ATOM 492 C CD2 . TRP A 0 64 . -6.955 -4.396 16.667 1.00 89.16 64 A 1 ATOM 493 C CE2 . TRP A 0 64 . -5.735 -4.560 17.385 1.00 89.16 64 A 1 ATOM 494 C CE3 . TRP A 0 64 . -7.453 -3.083 16.533 1.00 89.16 64 A 1 ATOM 495 N NE1 . TRP A 0 64 . -5.457 -5.905 17.299 1.00 89.16 64 A 1 ATOM 496 C CH2 . TRP A 0 64 . -5.570 -2.188 17.806 1.00 89.16 64 A 1 ATOM 497 C CZ2 . TRP A 0 64 . -5.056 -3.485 17.968 1.00 89.16 64 A 1 ATOM 498 C CZ3 . TRP A 0 64 . -6.762 -1.990 17.086 1.00 89.16 64 A 1 ATOM 499 N N . CYS A 0 65 . -6.163 -5.804 13.000 1.00 84.91 65 A 1 ATOM 500 C CA . CYS A 0 65 . -4.949 -6.426 12.513 1.00 84.91 65 A 1 ATOM 501 C C . CYS A 0 65 . -3.922 -6.585 13.633 1.00 84.91 65 A 1 ATOM 502 C CB . CYS A 0 65 . -4.402 -5.605 11.359 1.00 84.91 65 A 1 ATOM 503 O O . CYS A 0 65 . -3.078 -5.718 13.848 1.00 84.91 65 A 1 ATOM 504 S SG . CYS A 0 65 . -3.118 -6.507 10.475 1.00 84.91 65 A 1 ATOM 505 N N . LYS A 0 66 . -3.942 -7.739 14.307 1.00 85.48 66 A 1 ATOM 506 C CA . LYS A 0 66 . -3.036 -8.044 15.430 1.00 85.48 66 A 1 ATOM 507 C C . LYS A 0 66 . -1.549 -7.921 15.082 1.00 85.48 66 A 1 ATOM 508 C CB . LYS A 0 66 . -3.358 -9.456 15.937 1.00 85.48 66 A 1 ATOM 509 O O . LYS A 0 66 . -0.740 -7.609 15.939 1.00 85.48 66 A 1 ATOM 510 C CG . LYS A 0 66 . -2.643 -9.782 17.256 1.00 85.48 66 A 1 ATOM 511 C CD . LYS A 0 66 . -3.036 -11.181 17.733 1.00 85.48 66 A 1 ATOM 512 C CE . LYS A 0 66 . -2.418 -11.458 19.104 1.00 85.48 66 A 1 ATOM 513 N NZ . LYS A 0 66 . -2.814 -12.801 19.593 1.00 85.48 66 A 1 ATOM 514 N N . LYS A 0 67 . -1.173 -8.168 13.825 1.00 83.68 67 A 1 ATOM 515 C CA . LYS A 0 67 . 0.225 -8.075 13.381 1.00 83.68 67 A 1 ATOM 516 C C . LYS A 0 67 . 0.785 -6.650 13.468 1.00 83.68 67 A 1 ATOM 517 C CB . LYS A 0 67 . 0.320 -8.628 11.955 1.00 83.68 67 A 1 ATOM 518 O O . LYS A 0 67 . 1.988 -6.492 13.655 1.00 83.68 67 A 1 ATOM 519 C CG . LYS A 0 67 . 1.771 -8.664 11.460 1.00 83.68 67 A 1 ATOM 520 C CD . LYS A 0 67 . 1.841 -9.317 10.083 1.00 83.68 67 A 1 ATOM 521 C CE . LYS A 0 67 . 3.294 -9.310 9.611 1.00 83.68 67 A 1 ATOM 522 N NZ . LYS A 0 67 . 3.390 -9.847 8.236 1.00 83.68 67 A 1 ATOM 523 N N . TYR A 0 68 . -0.068 -5.647 13.286 1.00 84.46 68 A 1 ATOM 524 C CA . TYR A 0 68 . 0.325 -4.239 13.230 1.00 84.46 68 A 1 ATOM 525 C C . TYR A 0 68 . -0.330 -3.391 14.325 1.00 84.46 68 A 1 ATOM 526 C CB . TYR A 0 68 . 0.016 -3.698 11.826 1.00 84.46 68 A 1 ATOM 527 O O . TYR A 0 68 . -0.071 -2.195 14.372 1.00 84.46 68 A 1 ATOM 528 C CG . TYR A 0 68 . 0.771 -4.378 10.702 1.00 84.46 68 A 1 ATOM 529 C CD1 . TYR A 0 68 . 2.179 -4.395 10.705 1.00 84.46 68 A 1 ATOM 530 C CD2 . TYR A 0 68 . 0.072 -4.955 9.628 1.00 84.46 68 A 1 ATOM 531 C CE1 . TYR A 0 68 . 2.890 -5.027 9.667 1.00 84.46 68 A 1 ATOM 532 C CE2 . TYR A 0 68 . 0.785 -5.561 8.582 1.00 84.46 68 A 1 ATOM 533 O OH . TYR A 0 68 . 2.860 -6.269 7.611 1.00 84.46 68 A 1 ATOM 534 C CZ . TYR A 0 68 . 2.185 -5.637 8.610 1.00 84.46 68 A 1 ATOM 535 N N . ASP A 0 69 . -1.167 -3.993 15.175 1.00 88.45 69 A 1 ATOM 536 C CA . ASP A 0 69 . -1.958 -3.319 16.208 1.00 88.45 69 A 1 ATOM 537 C C . ASP A 0 69 . -2.762 -2.119 15.673 1.00 88.45 69 A 1 ATOM 538 C CB . ASP A 0 69 . -1.092 -3.023 17.444 1.00 88.45 69 A 1 ATOM 539 O O . ASP A 0 69 . -2.812 -1.046 16.273 1.00 88.45 69 A 1 ATOM 540 C CG . ASP A 0 69 . -0.618 -4.311 18.122 1.00 88.45 69 A 1 ATOM 541 O OD1 . ASP A 0 69 . -1.477 -5.209 18.316 1.00 88.45 69 A 1 ATOM 542 O OD2 . ASP A 0 69 . 0.586 -4.388 18.456 1.00 88.45 69 A 1 ATOM 543 N N . ILE A 0 70 . -3.405 -2.314 14.516 1.00 88.96 70 A 1 ATOM 544 C CA . ILE A 0 70 . -4.250 -1.307 13.860 1.00 88.96 70 A 1 ATOM 545 C C . ILE A 0 70 . -5.650 -1.844 13.572 1.00 88.96 70 A 1 ATOM 546 C CB . ILE A 0 70 . -3.608 -0.741 12.570 1.00 88.96 70 A 1 ATOM 547 O O . ILE A 0 70 . -5.833 -3.028 13.281 1.00 88.96 70 A 1 ATOM 548 C CG1 . ILE A 0 70 . -3.429 -1.830 11.487 1.00 88.96 70 A 1 ATOM 549 C CG2 . ILE A 0 70 . -2.298 -0.006 12.891 1.00 88.96 70 A 1 ATOM 550 C CD1 . ILE A 0 70 . -2.794 -1.342 10.181 1.00 88.96 70 A 1 ATOM 551 N N . CYS A 0 71 . -6.628 -0.943 13.568 1.00 87.43 71 A 1 ATOM 552 C CA . CYS A 0 71 . -7.964 -1.192 13.044 1.00 87.43 71 A 1 ATOM 553 C C . CYS A 0 71 . -8.060 -0.687 11.598 1.00 87.43 71 A 1 ATOM 554 C CB . CYS A 0 71 . -8.972 -0.488 13.946 1.00 87.43 71 A 1 ATOM 555 O O . CYS A 0 71 . -7.718 0.460 11.319 1.00 87.43 71 A 1 ATOM 556 S SG . CYS A 0 71 . -10.688 -0.895 13.565 1.00 87.43 71 A 1 ATOM 557 N N . THR A 0 72 . -8.526 -1.521 10.672 1.00 85.37 72 A 1 ATOM 558 C CA . THR A 0 72 . -8.686 -1.152 9.255 1.00 85.37 72 A 1 ATOM 559 C C . THR A 0 72 . -10.048 -1.584 8.741 1.00 85.37 72 A 1 ATOM 560 C CB . THR A 0 72 . -7.544 -1.718 8.394 1.00 85.37 72 A 1 ATOM 561 O O . THR A 0 72 . -10.629 -2.537 9.255 1.00 85.37 72 A 1 ATOM 562 C CG2 . THR A 0 72 . -7.463 -3.244 8.358 1.00 85.37 72 A 1 ATOM 563 O OG1 . THR A 0 72 . -7.658 -1.271 7.063 1.00 85.37 72 A 1 ATOM 564 N N . ALA A 0 73 . -10.560 -0.897 7.721 1.00 81.93 73 A 1 ATOM 565 C CA . ALA A 0 73 . -11.723 -1.387 6.997 1.00 81.93 73 A 1 ATOM 566 C C . ALA A 0 73 . -11.354 -2.676 6.252 1.00 81.93 73 A 1 ATOM 567 C CB . ALA A 0 73 . -12.232 -0.294 6.054 1.00 81.93 73 A 1 ATOM 568 O O . ALA A 0 73 . -10.254 -2.783 5.696 1.00 81.93 73 A 1 ATOM 569 N N . SER A 0 74 . -12.265 -3.646 6.236 1.00 74.79 74 A 1 ATOM 570 C CA . SER A 0 74 . -12.248 -4.702 5.240 1.00 74.79 74 A 1 ATOM 571 C C . SER A 0 74 . -12.788 -4.123 3.935 1.00 74.79 74 A 1 ATOM 572 C CB . SER A 0 74 . -13.026 -5.947 5.671 1.00 74.79 74 A 1 ATOM 573 O O . SER A 0 74 . -13.908 -3.619 3.905 1.00 74.79 74 A 1 ATOM 574 O OG . SER A 0 74 . -14.398 -5.683 5.814 1.00 74.79 74 A 1 ATOM 575 N N . SER A 0 75 . -12.013 -4.171 2.859 1.00 61.96 75 A 1 ATOM 576 C CA . SER A 0 75 . -12.543 -3.984 1.518 1.00 61.96 75 A 1 ATOM 577 C C . SER A 0 75 . -13.429 -5.186 1.211 1.00 61.96 75 A 1 ATOM 578 C CB . SER A 0 75 . -11.394 -3.877 0.504 1.00 61.96 75 A 1 ATOM 579 O O . SER A 0 75 . -12.942 -6.312 1.286 1.00 61.96 75 A 1 ATOM 580 O OG . SER A 0 75 . -10.546 -5.008 0.575 1.00 61.96 75 A 1 ATOM 581 N N . ASP A 0 76 . -14.688 -4.953 0.836 1.00 53.02 76 A 1 ATOM 582 C CA . ASP A 0 76 . -15.623 -6.010 0.411 1.00 53.02 76 A 1 ATOM 583 C C . ASP A 0 76 . -15.091 -6.848 -0.760 1.00 53.02 76 A 1 ATOM 584 C CB . ASP A 0 76 . -16.957 -5.387 -0.005 1.00 53.02 76 A 1 ATOM 585 O O . ASP A 0 76 . -15.536 -7.974 -0.982 1.00 53.02 76 A 1 ATOM 586 C CG . ASP A 0 76 . -17.690 -4.742 1.166 1.00 53.02 76 A 1 ATOM 587 O OD1 . ASP A 0 76 . -17.788 -5.400 2.226 1.00 53.02 76 A 1 ATOM 588 O OD2 . ASP A 0 76 . -18.112 -3.582 0.981 1.00 53.02 76 A 1 ATOM 589 N N . GLU A 0 77 . -14.070 -6.354 -1.467 1.00 50.98 77 A 1 ATOM 590 C CA . GLU A 0 77 . -13.164 -7.186 -2.257 1.00 50.98 77 A 1 ATOM 591 C C . GLU A 0 77 . -12.288 -8.073 -1.354 1.00 50.98 77 A 1 ATOM 592 C CB . GLU A 0 77 . -12.318 -6.347 -3.222 1.00 50.98 77 A 1 ATOM 593 O O . GLU A 0 77 . -11.058 -8.106 -1.463 1.00 50.98 77 A 1 ATOM 594 C CG . GLU A 0 77 . -13.142 -5.742 -4.365 1.00 50.98 77 A 1 ATOM 595 C CD . GLU A 0 77 . -12.255 -5.140 -5.466 1.00 50.98 77 A 1 ATOM 596 O OE1 . GLU A 0 77 . -12.818 -4.797 -6.529 1.00 50.98 77 A 1 ATOM 597 O OE2 . GLU A 0 77 . -11.023 -5.058 -5.263 1.00 50.98 77 A 1 ATOM 598 N N . ASP A 0 78 . -12.944 -8.879 -0.519 1.00 46.70 78 A 1 ATOM 599 C CA . ASP A 0 78 . -12.429 -10.001 0.271 1.00 46.70 78 A 1 ATOM 600 C C . ASP A 0 78 . -11.682 -11.046 -0.594 1.00 46.70 78 A 1 ATOM 601 C CB . ASP A 0 78 . -13.617 -10.643 1.046 1.00 46.70 78 A 1 ATOM 602 O O . ASP A 0 78 . -11.313 -12.117 -0.112 1.00 46.70 78 A 1 ATOM 603 C CG . ASP A 0 78 . -13.697 -10.292 2.545 1.00 46.70 78 A 1 ATOM 604 O OD1 . ASP A 0 78 . -12.648 -9.957 3.143 1.00 46.70 78 A 1 ATOM 605 O OD2 . ASP A 0 78 . -14.793 -10.457 3.136 1.00 46.70 78 A 1 ATOM 606 N N . ASN A 0 79 . -11.413 -10.764 -1.875 1.00 46.30 79 A 1 ATOM 607 C CA . ASN A 0 79 . -10.796 -11.703 -2.790 1.00 46.30 79 A 1 ATOM 608 C C . ASN A 0 79 . -9.381 -11.360 -3.275 1.00 46.30 79 A 1 ATOM 609 C CB . ASN A 0 79 . -11.784 -12.020 -3.921 1.00 46.30 79 A 1 ATOM 610 O O . ASN A 0 79 . -8.698 -12.294 -3.687 1.00 46.30 79 A 1 ATOM 611 C CG . ASN A 0 79 . -11.662 -13.460 -4.394 1.00 46.30 79 A 1 ATOM 612 N ND2 . ASN A 0 79 . -12.341 -13.794 -5.463 1.00 46.30 79 A 1 ATOM 613 O OD1 . ASN A 0 79 . -11.012 -14.320 -3.817 1.00 46.30 79 A 1 ATOM 614 N N . HIS A 0 80 . -8.860 -10.124 -3.190 1.00 45.55 80 A 1 ATOM 615 C CA . HIS A 0 80 . -7.478 -9.914 -3.669 1.00 45.55 80 A 1 ATOM 616 C C . HIS A 0 80 . -6.551 -8.994 -2.868 1.00 45.55 80 A 1 ATOM 617 C CB . HIS A 0 80 . -7.469 -9.638 -5.186 1.00 45.55 80 A 1 ATOM 618 O O . HIS A 0 80 . -5.407 -9.400 -2.647 1.00 45.55 80 A 1 ATOM 619 C CG . HIS A 0 80 . -7.278 -10.914 -5.984 1.00 45.55 80 A 1 ATOM 620 C CD2 . HIS A 0 80 . -8.134 -11.476 -6.895 1.00 45.55 80 A 1 ATOM 621 N ND1 . HIS A 0 80 . -6.214 -11.778 -5.854 1.00 45.55 80 A 1 ATOM 622 C CE1 . HIS A 0 80 . -6.427 -12.833 -6.656 1.00 45.55 80 A 1 ATOM 623 N NE2 . HIS A 0 80 . -7.576 -12.688 -7.328 1.00 45.55 80 A 1 ATOM 624 N N . GLU A 0 81 . -6.965 -7.820 -2.388 1.00 43.56 81 A 1 ATOM 625 C CA . GLU A 0 81 . -5.969 -6.863 -1.868 1.00 43.56 81 A 1 ATOM 626 C C . GLU A 0 81 . -5.669 -6.998 -0.368 1.00 43.56 81 A 1 ATOM 627 C CB . GLU A 0 81 . -6.323 -5.429 -2.270 1.00 43.56 81 A 1 ATOM 628 O O . GLU A 0 81 . -4.510 -6.898 0.037 1.00 43.56 81 A 1 ATOM 629 C CG . GLU A 0 81 . -6.228 -5.250 -3.797 1.00 43.56 81 A 1 ATOM 630 C CD . GLU A 0 81 . -6.106 -3.779 -4.221 1.00 43.56 81 A 1 ATOM 631 O OE1 . GLU A 0 81 . -5.529 -3.551 -5.310 1.00 43.56 81 A 1 ATOM 632 O OE2 . GLU A 0 81 . -6.493 -2.893 -3.425 1.00 43.56 81 A 1 ATOM 633 N N . LEU A 0 82 . -6.646 -7.333 0.481 1.00 48.06 82 A 1 ATOM 634 C CA . LEU A 0 82 . -6.386 -7.427 1.927 1.00 48.06 82 A 1 ATOM 635 C C . LEU A 0 82 . -5.585 -8.655 2.363 1.00 48.06 82 A 1 ATOM 636 C CB . LEU A 0 82 . -7.683 -7.287 2.720 1.00 48.06 82 A 1 ATOM 637 O O . LEU A 0 82 . -5.015 -8.661 3.459 1.00 48.06 82 A 1 ATOM 638 C CG . LEU A 0 82 . -8.172 -5.835 2.763 1.00 48.06 82 A 1 ATOM 639 C CD1 . LEU A 0 82 . -9.463 -5.828 3.552 1.00 48.06 82 A 1 ATOM 640 C CD2 . LEU A 0 82 . -7.219 -4.867 3.480 1.00 48.06 82 A 1 ATOM 641 N N . LYS A 0 83 . -5.402 -9.642 1.477 1.00 46.88 83 A 1 ATOM 642 C CA . LYS A 0 83 . -4.395 -10.692 1.690 1.00 46.88 83 A 1 ATOM 643 C C . LYS A 0 83 . -2.975 -10.125 1.787 1.00 46.88 83 A 1 ATOM 644 C CB . LYS A 0 83 . -4.495 -11.772 0.597 1.00 46.88 83 A 1 ATOM 645 O O . LYS A 0 83 . -2.124 -10.765 2.403 1.00 46.88 83 A 1 ATOM 646 C CG . LYS A 0 83 . -5.107 -13.056 1.171 1.00 46.88 83 A 1 ATOM 647 C CD . LYS A 0 83 . -5.242 -14.135 0.091 1.00 46.88 83 A 1 ATOM 648 C CE . LYS A 0 83 . -5.877 -15.392 0.693 1.00 46.88 83 A 1 ATOM 649 N NZ . LYS A 0 83 . -6.191 -16.393 -0.356 1.00 46.88 83 A 1 ATOM 650 N N . VAL A 0 84 . -2.711 -8.937 1.235 1.00 47.37 84 A 1 ATOM 651 C CA . VAL A 0 84 . -1.362 -8.352 1.213 1.00 47.37 84 A 1 ATOM 652 C C . VAL A 0 84 . -0.926 -7.874 2.602 1.00 47.37 84 A 1 ATOM 653 C CB . VAL A 0 84 . -1.268 -7.238 0.149 1.00 47.37 84 A 1 ATOM 654 O O . VAL A 0 84 . 0.247 -8.005 2.950 1.00 47.37 84 A 1 ATOM 655 C CG1 . VAL A 0 84 . 0.145 -6.647 0.071 1.00 47.37 84 A 1 ATOM 656 C CG2 . VAL A 0 84 . -1.645 -7.763 -1.255 1.00 47.37 84 A 1 ATOM 657 N N . ASN A 0 85 . -1.851 -7.428 3.456 1.00 53.03 85 A 1 ATOM 658 C CA . ASN A 0 85 . -1.475 -6.842 4.746 1.00 53.03 85 A 1 ATOM 659 C C . ASN A 0 85 . -1.345 -7.871 5.881 1.00 53.03 85 A 1 ATOM 660 C CB . ASN A 0 85 . -2.390 -5.644 5.056 1.00 53.03 85 A 1 ATOM 661 O O . ASN A 0 85 . -1.083 -7.504 7.017 1.00 53.03 85 A 1 ATOM 662 C CG . ASN A 0 85 . -2.090 -4.444 4.168 1.00 53.03 85 A 1 ATOM 663 N ND2 . ASN A 0 85 . -2.794 -3.354 4.350 1.00 53.03 85 A 1 ATOM 664 O OD1 . ASN A 0 85 . -1.213 -4.454 3.320 1.00 53.03 85 A 1 ATOM 665 N N . GLY A 0 86 . -1.505 -9.175 5.638 1.00 60.04 86 A 1 ATOM 666 C CA . GLY A 0 86 . -1.366 -10.183 6.703 1.00 60.04 86 A 1 ATOM 667 C C . GLY A 0 86 . -2.378 -10.042 7.852 1.00 60.04 86 A 1 ATOM 668 O O . GLY A 0 86 . -2.229 -10.697 8.882 1.00 60.04 86 A 1 ATOM 669 N N . CYS A 0 87 . -3.401 -9.209 7.672 1.00 66.50 87 A 1 ATOM 670 C CA . CYS A 0 87 . -4.556 -9.096 8.542 1.00 66.50 87 A 1 ATOM 671 C C . CYS A 0 87 . -5.567 -10.139 8.060 1.00 66.50 87 A 1 ATOM 672 C CB . CYS A 0 87 . -5.096 -7.658 8.473 1.00 66.50 87 A 1 ATOM 673 O O . CYS A 0 87 . -6.465 -9.830 7.284 1.00 66.50 87 A 1 ATOM 674 S SG . CYS A 0 87 . -3.846 -6.348 8.601 1.00 66.50 87 A 1 ATOM 675 N N . GLN A 0 88 . -5.358 -11.408 8.411 1.00 57.36 88 A 1 ATOM 676 C CA . GLN A 0 88 . -6.358 -12.425 8.099 1.00 57.36 88 A 1 ATOM 677 C C . GLN A 0 88 . -7.554 -12.225 9.025 1.00 57.36 88 A 1 ATOM 678 C CB . GLN A 0 88 . -5.779 -13.844 8.186 1.00 57.36 88 A 1 ATOM 679 O O . GLN A 0 88 . -7.394 -12.173 10.243 1.00 57.36 88 A 1 ATOM 680 C CG . GLN A 0 88 . -4.727 -14.077 7.090 1.00 57.36 88 A 1 ATOM 681 C CD . GLN A 0 88 . -4.379 -15.547 6.868 1.00 57.36 88 A 1 ATOM 682 N NE2 . GLN A 0 88 . -3.520 -15.847 5.918 1.00 57.36 88 A 1 ATOM 683 O OE1 . GLN A 0 88 . -4.854 -16.461 7.513 1.00 57.36 88 A 1 ATOM 684 N N . VAL A 0 89 . -8.747 -12.103 8.443 1.00 57.53 89 A 1 ATOM 685 C CA . VAL A 0 89 . -9.988 -12.246 9.201 1.00 57.53 89 A 1 ATOM 686 C C . VAL A 0 89 . -10.027 -13.698 9.665 1.00 57.53 89 A 1 ATOM 687 C CB . VAL A 0 89 . -11.219 -11.884 8.344 1.00 57.53 89 A 1 ATOM 688 O O . VAL A 0 89 . -10.077 -14.606 8.836 1.00 57.53 89 A 1 ATOM 689 C CG1 . VAL A 0 89 . -12.505 -11.932 9.180 1.00 57.53 89 A 1 ATOM 690 C CG2 . VAL A 0 89 . -11.079 -10.470 7.764 1.00 57.53 89 A 1 ATOM 691 N N . GLU A 0 90 . -9.935 -13.937 10.973 1.00 53.20 90 A 1 ATOM 692 C CA . GLU A 0 90 . -10.155 -15.275 11.520 1.00 53.20 90 A 1 ATOM 693 C C . GLU A 0 90 . -11.619 -15.652 11.248 1.00 53.20 90 A 1 ATOM 694 C CB . GLU A 0 90 . -9.800 -15.345 13.020 1.00 53.20 90 A 1 ATOM 695 O O . GLU A 0 90 . -12.536 -15.152 11.900 1.00 53.20 90 A 1 ATOM 696 C CG . GLU A 0 90 . -8.286 -15.219 13.287 1.00 53.20 90 A 1 ATOM 697 C CD . GLU A 0 90 . -7.880 -15.442 14.761 1.00 53.20 90 A 1 ATOM 698 O OE1 . GLU A 0 90 . -6.663 -15.332 15.049 1.00 53.20 90 A 1 ATOM 699 O OE2 . GLU A 0 90 . -8.764 -15.707 15.609 1.00 53.20 90 A 1 ATOM 700 N N . VAL A 0 91 . -11.845 -16.487 10.231 1.00 50.09 91 A 1 ATOM 701 C CA . VAL A 0 91 . -13.146 -17.115 9.988 1.00 50.09 91 A 1 ATOM 702 C C . VAL A 0 91 . -13.312 -18.186 11.059 1.00 50.09 91 A 1 ATOM 703 C CB . VAL A 0 91 . -13.257 -17.714 8.570 1.00 50.09 91 A 1 ATOM 704 O O . VAL A 0 91 . -12.520 -19.128 11.113 1.00 50.09 91 A 1 ATOM 705 C CG1 . VAL A 0 91 . -14.674 -18.239 8.307 1.00 50.09 91 A 1 ATOM 706 C CG2 . VAL A 0 91 . -12.936 -16.673 7.487 1.00 50.09 91 A 1 ATOM 707 N N . LYS A 0 92 . -14.295 -18.003 11.938 1.00 40.40 92 A 1 ATOM 708 C CA . LYS A 0 92 . -14.685 -18.999 12.936 1.00 40.40 92 A 1 ATOM 709 C C . LYS A 0 92 . -15.779 -19.903 12.391 1.00 40.40 92 A 1 ATOM 710 C CB . LYS A 0 92 . -15.104 -18.315 14.244 1.00 40.40 92 A 1 ATOM 711 O O . LYS A 0 92 . -16.659 -19.368 11.681 1.00 40.40 92 A 1 ATOM 712 C CG . LYS A 0 92 . -14.410 -18.978 15.435 1.00 40.40 92 A 1 ATOM 713 C CD . LYS A 0 92 . -14.927 -18.372 16.739 1.00 40.40 92 A 1 ATOM 714 C CE . LYS A 0 92 . -14.092 -18.886 17.911 1.00 40.40 92 A 1 ATOM 715 N NZ . LYS A 0 92 . -14.551 -18.285 19.185 1.00 40.40 92 A 1 ATOM 716 O OXT . LYS A 0 92 . -15.718 -21.091 12.761 1.00 40.40 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 75.39 # loop_ _atom_type.symbol C N O S #