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 SER 0 3 THR 0 4 MET 0 5 MET 0 6 CYS 0 7 ALA 0 8 LYS 0 9 CYS 0 10 ALA 0 11 ARG 0 12 PRO 0 13 PHE 0 14 THR 0 15 SER 0 16 GLY 0 17 SER 0 18 ILE 0 19 LEU 0 20 SER 0 21 ALA 0 22 LEU 0 23 ASP 0 24 LYS 0 25 LYS 0 26 TRP 0 27 HIS 0 28 PRO 0 29 GLU 0 30 CYS 0 31 PHE 0 32 VAL 0 33 CYS 0 34 THR 0 35 ILE 0 36 CYS 0 37 LYS 0 38 ARG 0 39 THR 0 40 LEU 0 41 ALA 0 42 ASP 0 43 GLN 0 44 SER 0 45 PHE 0 46 HIS 0 47 VAL 0 48 LYS 0 49 ASN 0 50 ASP 0 51 ASP 0 52 PRO 0 53 PHE 0 54 CYS 0 55 ALA 0 56 ASN 0 57 CYS 0 58 TRP 0 59 LYS 0 60 GLU 0 61 ASN 0 62 PHE 0 63 GLN 0 64 PRO 0 65 ARG 0 66 CYS 0 67 ALA 0 68 THR 0 69 CYS 0 70 SER 0 71 LYS 0 72 ILE 0 73 ILE 0 74 ASP 0 75 PRO 0 76 SER 0 77 GLU 0 78 GLN 0 79 TYR 0 80 MET 0 81 THR 0 82 TYR 0 83 ASN 0 84 ASP 0 85 ARG 0 86 ALA 0 87 TYR 0 88 HIS 0 89 LYS 0 90 ASN 0 91 CYS 0 92 PHE 0 93 THR 0 94 CYS 0 95 ALA 0 96 ALA 0 97 CYS 0 98 HIS 0 99 GLN 0 100 SER 0 101 LEU 0 102 ALA 0 103 GLY 0 104 LYS 0 105 GLN 0 106 PHE 0 107 CYS 0 108 ILE 0 109 LYS 0 110 ASP 0 111 ASN 0 112 GLY 0 113 TYR 0 114 TYR 0 115 CYS 0 116 PRO 0 117 GLU 0 118 HIS 0 119 VAL # 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 . 36.694 16.639 -10.808 1.00 56.90 1 A 1 ATOM 2 C CA . MET A 0 1 . 35.628 15.847 -11.455 1.00 56.90 1 A 1 ATOM 3 C C . MET A 0 1 . 34.747 15.282 -10.356 1.00 56.90 1 A 1 ATOM 4 C CB . MET A 0 1 . 36.212 14.694 -12.295 1.00 56.90 1 A 1 ATOM 5 O O . MET A 0 1 . 35.262 14.539 -9.532 1.00 56.90 1 A 1 ATOM 6 C CG . MET A 0 1 . 36.993 15.164 -13.527 1.00 56.90 1 A 1 ATOM 7 S SD . MET A 0 1 . 35.975 16.012 -14.757 1.00 56.90 1 A 1 ATOM 8 C CE . MET A 0 1 . 37.196 16.238 -16.083 1.00 56.90 1 A 1 ATOM 9 N N . SER A 0 2 . 33.474 15.664 -10.281 1.00 71.00 2 A 1 ATOM 10 C CA . SER A 0 2 . 32.538 15.043 -9.336 1.00 71.00 2 A 1 ATOM 11 C C . SER A 0 2 . 32.149 13.675 -9.892 1.00 71.00 2 A 1 ATOM 12 C CB . SER A 0 2 . 31.301 15.926 -9.123 1.00 71.00 2 A 1 ATOM 13 O O . SER A 0 2 . 31.450 13.595 -10.900 1.00 71.00 2 A 1 ATOM 14 O OG . SER A 0 2 . 31.710 17.251 -8.835 1.00 71.00 2 A 1 ATOM 15 N N . THR A 0 3 . 32.664 12.597 -9.306 1.00 80.37 3 A 1 ATOM 16 C CA . THR A 0 3 . 32.343 11.238 -9.752 1.00 80.37 3 A 1 ATOM 17 C C . THR A 0 3 . 30.882 10.931 -9.445 1.00 80.37 3 A 1 ATOM 18 C CB . THR A 0 3 . 33.263 10.208 -9.087 1.00 80.37 3 A 1 ATOM 19 O O . THR A 0 3 . 30.466 10.973 -8.289 1.00 80.37 3 A 1 ATOM 20 C CG2 . THR A 0 3 . 32.993 8.780 -9.551 1.00 80.37 3 A 1 ATOM 21 O OG1 . THR A 0 3 . 34.595 10.499 -9.440 1.00 80.37 3 A 1 ATOM 22 N N . MET A 0 4 . 30.104 10.596 -10.474 1.00 87.64 4 A 1 ATOM 23 C CA . MET A 0 4 . 28.740 10.102 -10.294 1.00 87.64 4 A 1 ATOM 24 C C . MET A 0 4 . 28.778 8.702 -9.669 1.00 87.64 4 A 1 ATOM 25 C CB . MET A 0 4 . 27.999 10.088 -11.639 1.00 87.64 4 A 1 ATOM 26 O O . MET A 0 4 . 29.519 7.830 -10.131 1.00 87.64 4 A 1 ATOM 27 C CG . MET A 0 4 . 27.697 11.488 -12.185 1.00 87.64 4 A 1 ATOM 28 S SD . MET A 0 4 . 26.468 12.401 -11.213 1.00 87.64 4 A 1 ATOM 29 C CE . MET A 0 4 . 25.821 13.516 -12.485 1.00 87.64 4 A 1 ATOM 30 N N . MET A 0 5 . 27.965 8.479 -8.636 1.00 94.18 5 A 1 ATOM 31 C CA . MET A 0 5 . 27.901 7.213 -7.898 1.00 94.18 5 A 1 ATOM 32 C C . MET A 0 5 . 26.495 6.623 -7.932 1.00 94.18 5 A 1 ATOM 33 C CB . MET A 0 5 . 28.358 7.401 -6.445 1.00 94.18 5 A 1 ATOM 34 O O . MET A 0 5 . 25.497 7.344 -7.963 1.00 94.18 5 A 1 ATOM 35 C CG . MET A 0 5 . 29.813 7.859 -6.338 1.00 94.18 5 A 1 ATOM 36 S SD . MET A 0 5 . 30.378 7.990 -4.624 1.00 94.18 5 A 1 ATOM 37 C CE . MET A 0 5 . 31.979 8.791 -4.890 1.00 94.18 5 A 1 ATOM 38 N N . CYS A 0 6 . 26.413 5.296 -7.910 1.00 95.60 6 A 1 ATOM 39 C CA . CYS A 0 6 . 25.139 4.601 -7.832 1.00 95.60 6 A 1 ATOM 40 C C . CYS A 0 6 . 24.498 4.767 -6.450 1.00 95.60 6 A 1 ATOM 41 C CB . CYS A 0 6 . 25.366 3.134 -8.206 1.00 95.60 6 A 1 ATOM 42 O O . CYS A 0 6 . 25.094 4.392 -5.444 1.00 95.60 6 A 1 ATOM 43 S SG . CYS A 0 6 . 23.870 2.145 -7.882 1.00 95.60 6 A 1 ATOM 44 N N . ALA A 0 7 . 23.240 5.208 -6.412 1.00 93.78 7 A 1 ATOM 45 C CA . ALA A 0 7 . 22.514 5.470 -5.170 1.00 93.78 7 A 1 ATOM 46 C C . ALA A 0 7 . 22.285 4.236 -4.272 1.00 93.78 7 A 1 ATOM 47 C CB . ALA A 0 7 . 21.200 6.155 -5.543 1.00 93.78 7 A 1 ATOM 48 O O . ALA A 0 7 . 22.106 4.399 -3.071 1.00 93.78 7 A 1 ATOM 49 N N . LYS A 0 8 . 22.331 3.004 -4.808 1.00 94.51 8 A 1 ATOM 50 C CA . LYS A 0 8 . 22.215 1.772 -3.997 1.00 94.51 8 A 1 ATOM 51 C C . LYS A 0 8 . 23.548 1.262 -3.458 1.00 94.51 8 A 1 ATOM 52 C CB . LYS A 0 8 . 21.519 0.659 -4.790 1.00 94.51 8 A 1 ATOM 53 O O . LYS A 0 8 . 23.627 0.867 -2.304 1.00 94.51 8 A 1 ATOM 54 C CG . LYS A 0 8 . 21.317 -0.617 -3.950 1.00 94.51 8 A 1 ATOM 55 C CD . LYS A 0 8 . 20.464 -1.631 -4.709 1.00 94.51 8 A 1 ATOM 56 C CE . LYS A 0 8 . 20.347 -2.981 -3.999 1.00 94.51 8 A 1 ATOM 57 N NZ . LYS A 0 8 . 20.953 -4.078 -4.800 1.00 94.51 8 A 1 ATOM 58 N N . CYS A 0 9 . 24.560 1.148 -4.319 1.00 95.01 9 A 1 ATOM 59 C CA . CYS A 0 9 . 25.817 0.469 -3.970 1.00 95.01 9 A 1 ATOM 60 C C . CYS A 0 9 . 26.978 1.426 -3.691 1.00 95.01 9 A 1 ATOM 61 C CB . CYS A 0 9 . 26.167 -0.594 -5.026 1.00 95.01 9 A 1 ATOM 62 O O . CYS A 0 9 . 28.064 0.955 -3.376 1.00 95.01 9 A 1 ATOM 63 S SG . CYS A 0 9 . 26.593 0.144 -6.630 1.00 95.01 9 A 1 ATOM 64 N N . ALA A 0 10 . 26.773 2.736 -3.866 1.00 93.59 10 A 1 ATOM 65 C CA . ALA A 0 10 . 27.782 3.786 -3.727 1.00 93.59 10 A 1 ATOM 66 C C . ALA A 0 10 . 29.048 3.593 -4.590 1.00 93.59 10 A 1 ATOM 67 C CB . ALA A 0 10 . 28.062 4.016 -2.237 1.00 93.59 10 A 1 ATOM 68 O O . ALA A 0 10 . 30.050 4.274 -4.396 1.00 93.59 10 A 1 ATOM 69 N N . ARG A 0 11 . 29.016 2.685 -5.576 1.00 94.16 11 A 1 ATOM 70 C CA . ARG A 0 11 . 30.122 2.473 -6.519 1.00 94.16 11 A 1 ATOM 71 C C . ARG A 0 11 . 30.032 3.461 -7.687 1.00 94.16 11 A 1 ATOM 72 C CB . ARG A 0 11 . 30.177 1.018 -7.007 1.00 94.16 11 A 1 ATOM 73 O O . ARG A 0 11 . 28.912 3.783 -8.106 1.00 94.16 11 A 1 ATOM 74 C CG . ARG A 0 11 . 30.465 0.029 -5.864 1.00 94.16 11 A 1 ATOM 75 C CD . ARG A 0 11 . 30.604 -1.412 -6.372 1.00 94.16 11 A 1 ATOM 76 N NE . ARG A 0 11 . 29.363 -1.900 -7.013 1.00 94.16 11 A 1 ATOM 77 N NH1 . ARG A 0 11 . 30.211 -3.839 -7.906 1.00 94.16 11 A 1 ATOM 78 N NH2 . ARG A 0 11 . 28.085 -3.291 -8.297 1.00 94.16 11 A 1 ATOM 79 C CZ . ARG A 0 11 . 29.226 -3.003 -7.733 1.00 94.16 11 A 1 ATOM 80 N N . PRO A 0 12 . 31.176 3.924 -8.221 1.00 93.18 12 A 1 ATOM 81 C CA . PRO A 0 12 . 31.210 4.810 -9.379 1.00 93.18 12 A 1 ATOM 82 C C . PRO A 0 12 . 30.731 4.099 -10.648 1.00 93.18 12 A 1 ATOM 83 C CB . PRO A 0 12 . 32.672 5.249 -9.495 1.00 93.18 12 A 1 ATOM 84 O O . PRO A 0 12 . 30.906 2.889 -10.794 1.00 93.18 12 A 1 ATOM 85 C CG . PRO A 0 12 . 33.449 4.065 -8.926 1.00 93.18 12 A 1 ATOM 86 C CD . PRO A 0 12 . 32.533 3.584 -7.805 1.00 93.18 12 A 1 ATOM 87 N N . PHE A 0 13 . 30.182 4.865 -11.589 1.00 91.45 13 A 1 ATOM 88 C CA . PHE A 0 13 . 29.857 4.362 -12.924 1.00 91.45 13 A 1 ATOM 89 C C . PHE A 0 13 . 31.127 4.293 -13.772 1.00 91.45 13 A 1 ATOM 90 C CB . PHE A 0 13 . 28.796 5.251 -13.578 1.00 91.45 13 A 1 ATOM 91 O O . PHE A 0 13 . 31.552 5.291 -14.347 1.00 91.45 13 A 1 ATOM 92 C CG . PHE A 0 13 . 27.512 5.307 -12.790 1.00 91.45 13 A 1 ATOM 93 C CD1 . PHE A 0 13 . 26.631 4.216 -12.819 1.00 91.45 13 A 1 ATOM 94 C CD2 . PHE A 0 13 . 27.219 6.428 -11.999 1.00 91.45 13 A 1 ATOM 95 C CE1 . PHE A 0 13 . 25.453 4.252 -12.064 1.00 91.45 13 A 1 ATOM 96 C CE2 . PHE A 0 13 . 26.047 6.462 -11.231 1.00 91.45 13 A 1 ATOM 97 C CZ . PHE A 0 13 . 25.164 5.370 -11.266 1.00 91.45 13 A 1 ATOM 98 N N . THR A 0 14 . 31.766 3.126 -13.812 1.00 85.89 14 A 1 ATOM 99 C CA . THR A 0 14 . 33.014 2.922 -14.566 1.00 85.89 14 A 1 ATOM 100 C C . THR A 0 14 . 32.766 2.482 -16.006 1.00 85.89 14 A 1 ATOM 101 C CB . THR A 0 14 . 33.909 1.894 -13.866 1.00 85.89 14 A 1 ATOM 102 O O . THR A 0 14 . 33.550 2.815 -16.890 1.00 85.89 14 A 1 ATOM 103 C CG2 . THR A 0 14 . 34.403 2.404 -12.513 1.00 85.89 14 A 1 ATOM 104 O OG1 . THR A 0 14 . 33.184 0.709 -13.623 1.00 85.89 14 A 1 ATOM 105 N N . SER A 0 15 . 31.693 1.729 -16.261 1.00 80.48 15 A 1 ATOM 106 C CA . SER A 0 15 . 31.283 1.237 -17.583 1.00 80.48 15 A 1 ATOM 107 C C . SER A 0 15 . 29.827 0.755 -17.549 1.00 80.48 15 A 1 ATOM 108 C CB . SER A 0 15 . 32.177 0.063 -18.007 1.00 80.48 15 A 1 ATOM 109 O O . SER A 0 15 . 29.327 0.366 -16.494 1.00 80.48 15 A 1 ATOM 110 O OG . SER A 0 15 . 33.493 0.501 -18.274 1.00 80.48 15 A 1 ATOM 111 N N . GLY A 0 16 . 29.162 0.737 -18.707 1.00 84.30 16 A 1 ATOM 112 C CA . GLY A 0 16 . 27.806 0.202 -18.864 1.00 84.30 16 A 1 ATOM 113 C C . GLY A 0 16 . 26.691 1.251 -18.827 1.00 84.30 16 A 1 ATOM 114 O O . GLY A 0 16 . 26.931 2.457 -18.838 1.00 84.30 16 A 1 ATOM 115 N N . SER A 0 17 . 25.448 0.765 -18.830 1.00 89.47 17 A 1 ATOM 116 C CA . SER A 0 17 . 24.256 1.620 -18.830 1.00 89.47 17 A 1 ATOM 117 C C . SER A 0 17 . 24.027 2.253 -17.460 1.00 89.47 17 A 1 ATOM 118 C CB . SER A 0 17 . 23.016 0.832 -19.256 1.00 89.47 17 A 1 ATOM 119 O O . SER A 0 17 . 24.196 1.603 -16.429 1.00 89.47 17 A 1 ATOM 120 O OG . SER A 0 17 . 23.130 0.447 -20.609 1.00 89.47 17 A 1 ATOM 121 N N . ILE A 0 18 . 23.586 3.509 -17.454 1.00 92.88 18 A 1 ATOM 122 C CA . ILE A 0 18 . 23.208 4.243 -16.245 1.00 92.88 18 A 1 ATOM 123 C C . ILE A 0 18 . 21.704 4.472 -16.289 1.00 92.88 18 A 1 ATOM 124 C CB . ILE A 0 18 . 23.987 5.572 -16.122 1.00 92.88 18 A 1 ATOM 125 O O . ILE A 0 18 . 21.196 5.120 -17.203 1.00 92.88 18 A 1 ATOM 126 C CG1 . ILE A 0 18 . 25.512 5.315 -16.154 1.00 92.88 18 A 1 ATOM 127 C CG2 . ILE A 0 18 . 23.566 6.301 -14.829 1.00 92.88 18 A 1 ATOM 128 C CD1 . ILE A 0 18 . 26.371 6.583 -16.072 1.00 92.88 18 A 1 ATOM 129 N N . LEU A 0 19 . 20.992 3.980 -15.279 1.00 94.36 19 A 1 ATOM 130 C CA . LEU A 0 19 . 19.577 4.271 -15.106 1.00 94.36 19 A 1 ATOM 131 C C . LEU A 0 19 . 19.416 5.554 -14.288 1.00 94.36 19 A 1 ATOM 132 C CB . LEU A 0 19 . 18.886 3.065 -14.460 1.00 94.36 19 A 1 ATOM 133 O O . LEU A 0 19 . 20.064 5.733 -13.256 1.00 94.36 19 A 1 ATOM 134 C CG . LEU A 0 19 . 17.364 3.250 -14.319 1.00 94.36 19 A 1 ATOM 135 C CD1 . LEU A 0 19 . 16.638 3.188 -15.660 1.00 94.36 19 A 1 ATOM 136 C CD2 . LEU A 0 19 . 16.823 2.154 -13.421 1.00 94.36 19 A 1 ATOM 137 N N . SER A 0 20 . 18.534 6.442 -14.737 1.00 93.77 20 A 1 ATOM 138 C CA . SER A 0 20 . 18.166 7.657 -14.004 1.00 93.77 20 A 1 ATOM 139 C C . SER A 0 20 . 16.735 7.519 -13.499 1.00 93.77 20 A 1 ATOM 140 C CB . SER A 0 20 . 18.312 8.888 -14.898 1.00 93.77 20 A 1 ATOM 141 O O . SER A 0 20 . 15.820 7.391 -14.303 1.00 93.77 20 A 1 ATOM 142 O OG . SER A 0 20 . 19.626 8.932 -15.431 1.00 93.77 20 A 1 ATOM 143 N N . ALA A 0 21 . 16.550 7.521 -12.182 1.00 92.71 21 A 1 ATOM 144 C CA . ALA A 0 21 . 15.246 7.410 -11.531 1.00 92.71 21 A 1 ATOM 145 C C . ALA A 0 21 . 15.315 8.054 -10.140 1.00 92.71 21 A 1 ATOM 146 C CB . ALA A 0 21 . 14.849 5.929 -11.436 1.00 92.71 21 A 1 ATOM 147 O O . ALA A 0 21 . 16.361 7.992 -9.495 1.00 92.71 21 A 1 ATOM 148 N N . LEU A 0 22 . 14.214 8.638 -9.656 1.00 92.11 22 A 1 ATOM 149 C CA . LEU A 0 22 . 14.138 9.273 -8.323 1.00 92.11 22 A 1 ATOM 150 C C . LEU A 0 22 . 15.175 10.382 -8.112 1.00 92.11 22 A 1 ATOM 151 C CB . LEU A 0 22 . 14.205 8.210 -7.201 1.00 92.11 22 A 1 ATOM 152 O O . LEU A 0 22 . 15.812 10.437 -7.064 1.00 92.11 22 A 1 ATOM 153 C CG . LEU A 0 22 . 13.315 6.989 -7.417 1.00 92.11 22 A 1 ATOM 154 C CD1 . LEU A 0 22 . 13.384 6.038 -6.226 1.00 92.11 22 A 1 ATOM 155 C CD2 . LEU A 0 22 . 11.872 7.413 -7.615 1.00 92.11 22 A 1 ATOM 156 N N . ASP A 0 23 . 15.410 11.188 -9.153 1.00 92.31 23 A 1 ATOM 157 C CA . ASP A 0 23 . 16.461 12.221 -9.195 1.00 92.31 23 A 1 ATOM 158 C C . ASP A 0 23 . 17.886 11.691 -8.900 1.00 92.31 23 A 1 ATOM 159 C CB . ASP A 0 23 . 16.040 13.411 -8.321 1.00 92.31 23 A 1 ATOM 160 O O . ASP A 0 23 . 18.834 12.427 -8.649 1.00 92.31 23 A 1 ATOM 161 C CG . ASP A 0 23 . 16.738 14.695 -8.762 1.00 92.31 23 A 1 ATOM 162 O OD1 . ASP A 0 23 . 17.426 15.309 -7.919 1.00 92.31 23 A 1 ATOM 163 O OD2 . ASP A 0 23 . 16.560 15.040 -9.954 1.00 92.31 23 A 1 ATOM 164 N N . LYS A 0 24 . 18.064 10.367 -8.959 1.00 94.08 24 A 1 ATOM 165 C CA . LYS A 0 24 . 19.292 9.651 -8.617 1.00 94.08 24 A 1 ATOM 166 C C . LYS A 0 24 . 19.753 8.797 -9.796 1.00 94.08 24 A 1 ATOM 167 C CB . LYS A 0 24 . 19.049 8.832 -7.334 1.00 94.08 24 A 1 ATOM 168 O O . LYS A 0 24 . 19.004 8.494 -10.730 1.00 94.08 24 A 1 ATOM 169 C CG . LYS A 0 24 . 18.935 9.714 -6.073 1.00 94.08 24 A 1 ATOM 170 C CD . LYS A 0 24 . 18.367 8.953 -4.860 1.00 94.08 24 A 1 ATOM 171 C CE . LYS A 0 24 . 17.940 9.956 -3.774 1.00 94.08 24 A 1 ATOM 172 N NZ . LYS A 0 24 . 17.073 9.356 -2.724 1.00 94.08 24 A 1 ATOM 173 N N . LYS A 0 25 . 21.025 8.400 -9.757 1.00 94.73 25 A 1 ATOM 174 C CA . LYS A 0 25 . 21.640 7.514 -10.751 1.00 94.73 25 A 1 ATOM 175 C C . LYS A 0 25 . 21.825 6.120 -10.161 1.00 94.73 25 A 1 ATOM 176 C CB . LYS A 0 25 . 22.961 8.112 -11.264 1.00 94.73 25 A 1 ATOM 177 O O . LYS A 0 25 . 22.232 5.967 -9.008 1.00 94.73 25 A 1 ATOM 178 C CG . LYS A 0 25 . 22.843 9.520 -11.876 1.00 94.73 25 A 1 ATOM 179 C CD . LYS A 0 25 . 22.012 9.573 -13.166 1.00 94.73 25 A 1 ATOM 180 C CE . LYS A 0 25 . 21.888 11.031 -13.627 1.00 94.73 25 A 1 ATOM 181 N NZ . LYS A 0 25 . 21.214 11.144 -14.942 1.00 94.73 25 A 1 ATOM 182 N N . TRP A 0 26 . 21.580 5.092 -10.963 1.00 96.06 26 A 1 ATOM 183 C CA . TRP A 0 26 . 21.609 3.695 -10.536 1.00 96.06 26 A 1 ATOM 184 C C . TRP A 0 26 . 22.279 2.824 -11.591 1.00 96.06 26 A 1 ATOM 185 C CB . TRP A 0 26 . 20.181 3.199 -10.262 1.00 96.06 26 A 1 ATOM 186 O O . TRP A 0 26 . 22.122 3.057 -12.789 1.00 96.06 26 A 1 ATOM 187 C CG . TRP A 0 26 . 19.337 4.100 -9.414 1.00 96.06 26 A 1 ATOM 188 C CD1 . TRP A 0 26 . 18.673 5.188 -9.867 1.00 96.06 26 A 1 ATOM 189 C CD2 . TRP A 0 26 . 19.039 4.020 -7.985 1.00 96.06 26 A 1 ATOM 190 C CE2 . TRP A 0 26 . 18.195 5.120 -7.644 1.00 96.06 26 A 1 ATOM 191 C CE3 . TRP A 0 26 . 19.365 3.113 -6.950 1.00 96.06 26 A 1 ATOM 192 N NE1 . TRP A 0 26 . 18.019 5.803 -8.824 1.00 96.06 26 A 1 ATOM 193 C CH2 . TRP A 0 26 . 18.056 4.411 -5.339 1.00 96.06 26 A 1 ATOM 194 C CZ2 . TRP A 0 26 . 17.708 5.323 -6.347 1.00 96.06 26 A 1 ATOM 195 C CZ3 . TRP A 0 26 . 18.879 3.312 -5.641 1.00 96.06 26 A 1 ATOM 196 N N . HIS A 0 27 . 22.983 1.774 -11.164 1.00 95.55 27 A 1 ATOM 197 C CA . HIS A 0 27 . 23.192 0.645 -12.069 1.00 95.55 27 A 1 ATOM 198 C C . HIS A 0 27 . 21.818 -0.003 -12.321 1.00 95.55 27 A 1 ATOM 199 C CB . HIS A 0 27 . 24.192 -0.365 -11.492 1.00 95.55 27 A 1 ATOM 200 O O . HIS A 0 27 . 21.051 -0.127 -11.362 1.00 95.55 27 A 1 ATOM 201 C CG . HIS A 0 27 . 25.543 0.224 -11.192 1.00 95.55 27 A 1 ATOM 202 C CD2 . HIS A 0 27 . 26.439 0.698 -12.111 1.00 95.55 27 A 1 ATOM 203 N ND1 . HIS A 0 27 . 26.111 0.387 -9.948 1.00 95.55 27 A 1 ATOM 204 C CE1 . HIS A 0 27 . 27.314 0.967 -10.116 1.00 95.55 27 A 1 ATOM 205 N NE2 . HIS A 0 27 . 27.549 1.178 -11.415 1.00 95.55 27 A 1 ATOM 206 N N . PRO A 0 28 . 21.484 -0.440 -13.546 1.00 94.44 28 A 1 ATOM 207 C CA . PRO A 0 28 . 20.195 -1.073 -13.834 1.00 94.44 28 A 1 ATOM 208 C C . PRO A 0 28 . 19.879 -2.259 -12.905 1.00 94.44 28 A 1 ATOM 209 C CB . PRO A 0 28 . 20.287 -1.492 -15.304 1.00 94.44 28 A 1 ATOM 210 O O . PRO A 0 28 . 18.780 -2.354 -12.368 1.00 94.44 28 A 1 ATOM 211 C CG . PRO A 0 28 . 21.240 -0.461 -15.908 1.00 94.44 28 A 1 ATOM 212 C CD . PRO A 0 28 . 22.220 -0.183 -14.773 1.00 94.44 28 A 1 ATOM 213 N N . GLU A 0 29 . 20.876 -3.098 -12.607 1.00 94.86 29 A 1 ATOM 214 C CA . GLU A 0 29 . 20.791 -4.210 -11.640 1.00 94.86 29 A 1 ATOM 215 C C . GLU A 0 29 . 20.619 -3.760 -10.177 1.00 94.86 29 A 1 ATOM 216 C CB . GLU A 0 29 . 22.071 -5.056 -11.759 1.00 94.86 29 A 1 ATOM 217 O O . GLU A 0 29 . 20.209 -4.528 -9.308 1.00 94.86 29 A 1 ATOM 218 C CG . GLU A 0 29 . 23.325 -4.270 -11.335 1.00 94.86 29 A 1 ATOM 219 C CD . GLU A 0 29 . 24.609 -5.078 -11.505 1.00 94.86 29 A 1 ATOM 220 O OE1 . GLU A 0 29 . 25.047 -5.198 -12.666 1.00 94.86 29 A 1 ATOM 221 O OE2 . GLU A 0 29 . 25.172 -5.473 -10.458 1.00 94.86 29 A 1 ATOM 222 N N . CYS A 0 30 . 20.969 -2.509 -9.880 1.00 96.43 30 A 1 ATOM 223 C CA . CYS A 0 30 . 20.847 -1.918 -8.557 1.00 96.43 30 A 1 ATOM 224 C C . CYS A 0 30 . 19.501 -1.223 -8.352 1.00 96.43 30 A 1 ATOM 225 C CB . CYS A 0 30 . 22.004 -0.941 -8.331 1.00 96.43 30 A 1 ATOM 226 O O . CYS A 0 30 . 19.125 -0.990 -7.207 1.00 96.43 30 A 1 ATOM 227 S SG . CYS A 0 30 . 23.537 -1.829 -7.922 1.00 96.43 30 A 1 ATOM 228 N N . PHE A 0 31 . 18.761 -0.895 -9.406 1.00 97.42 31 A 1 ATOM 229 C CA . PHE A 0 31 . 17.424 -0.341 -9.253 1.00 97.42 31 A 1 ATOM 230 C C . PHE A 0 31 . 16.425 -1.482 -9.071 1.00 97.42 31 A 1 ATOM 231 C CB . PHE A 0 31 . 17.120 0.583 -10.422 1.00 97.42 31 A 1 ATOM 232 O O . PHE A 0 31 . 15.909 -2.056 -10.029 1.00 97.42 31 A 1 ATOM 233 C CG . PHE A 0 31 . 15.900 1.440 -10.169 1.00 97.42 31 A 1 ATOM 234 C CD1 . PHE A 0 31 . 14.726 1.236 -10.910 1.00 97.42 31 A 1 ATOM 235 C CD2 . PHE A 0 31 . 15.938 2.442 -9.181 1.00 97.42 31 A 1 ATOM 236 C CE1 . PHE A 0 31 . 13.591 2.023 -10.660 1.00 97.42 31 A 1 ATOM 237 C CE2 . PHE A 0 31 . 14.804 3.233 -8.931 1.00 97.42 31 A 1 ATOM 238 C CZ . PHE A 0 31 . 13.628 3.018 -9.668 1.00 97.42 31 A 1 ATOM 239 N N . VAL A 0 32 . 16.228 -1.873 -7.813 1.00 97.74 32 A 1 ATOM 240 C CA . VAL A 0 32 . 15.462 -3.057 -7.411 1.00 97.74 32 A 1 ATOM 241 C C . VAL A 0 32 . 14.408 -2.697 -6.375 1.00 97.74 32 A 1 ATOM 242 C CB . VAL A 0 32 . 16.366 -4.176 -6.855 1.00 97.74 32 A 1 ATOM 243 O O . VAL A 0 32 . 14.586 -1.750 -5.619 1.00 97.74 32 A 1 ATOM 244 C CG1 . VAL A 0 32 . 17.336 -4.721 -7.903 1.00 97.74 32 A 1 ATOM 245 C CG2 . VAL A 0 32 . 17.183 -3.765 -5.621 1.00 97.74 32 A 1 ATOM 246 N N . CYS A 0 33 . 13.346 -3.495 -6.283 1.00 98.25 33 A 1 ATOM 247 C CA . CYS A 0 33 . 12.343 -3.352 -5.237 1.00 98.25 33 A 1 ATOM 248 C C . CYS A 0 33 . 12.983 -3.477 -3.852 1.00 98.25 33 A 1 ATOM 249 C CB . CYS A 0 33 . 11.248 -4.405 -5.453 1.00 98.25 33 A 1 ATOM 250 O O . CYS A 0 33 . 13.659 -4.467 -3.565 1.00 98.25 33 A 1 ATOM 251 S SG . CYS A 0 33 . 10.058 -4.388 -4.076 1.00 98.25 33 A 1 ATOM 252 N N . THR A 0 34 . 12.696 -2.529 -2.962 1.00 97.22 34 A 1 ATOM 253 C CA . THR A 0 34 . 13.243 -2.513 -1.603 1.00 97.22 34 A 1 ATOM 254 C C . THR A 0 34 . 12.851 -3.754 -0.788 1.00 97.22 34 A 1 ATOM 255 C CB . THR A 0 34 . 12.878 -1.187 -0.909 1.00 97.22 34 A 1 ATOM 256 O O . THR A 0 34 . 13.637 -4.184 0.053 1.00 97.22 34 A 1 ATOM 257 C CG2 . THR A 0 34 . 13.416 -1.063 0.512 1.00 97.22 34 A 1 ATOM 258 O OG1 . THR A 0 34 . 13.475 -0.163 -1.664 1.00 97.22 34 A 1 ATOM 259 N N . ILE A 0 35 . 11.723 -4.411 -1.089 1.00 97.82 35 A 1 ATOM 260 C CA . ILE A 0 35 . 11.269 -5.634 -0.397 1.00 97.82 35 A 1 ATOM 261 C C . ILE A 0 35 . 11.815 -6.899 -1.075 1.00 97.82 35 A 1 ATOM 262 C CB . ILE A 0 35 . 9.730 -5.633 -0.219 1.00 97.82 35 A 1 ATOM 263 O O . ILE A 0 35 . 12.680 -7.570 -0.521 1.00 97.82 35 A 1 ATOM 264 C CG1 . ILE A 0 35 . 9.325 -4.437 0.673 1.00 97.82 35 A 1 ATOM 265 C CG2 . ILE A 0 35 . 9.234 -6.955 0.396 1.00 97.82 35 A 1 ATOM 266 C CD1 . ILE A 0 35 . 7.818 -4.207 0.829 1.00 97.82 35 A 1 ATOM 267 N N . CYS A 0 36 . 11.353 -7.225 -2.287 1.00 97.77 36 A 1 ATOM 268 C CA . CYS A 0 36 . 11.680 -8.506 -2.934 1.00 97.77 36 A 1 ATOM 269 C C . CYS A 0 36 . 12.985 -8.508 -3.746 1.00 97.77 36 A 1 ATOM 270 C CB . CYS A 0 36 . 10.495 -8.977 -3.787 1.00 97.77 36 A 1 ATOM 271 O O . CYS A 0 36 . 13.342 -9.536 -4.313 1.00 97.77 36 A 1 ATOM 272 S SG . CYS A 0 36 . 10.225 -7.870 -5.205 1.00 97.77 36 A 1 ATOM 273 N N . LYS A 0 37 . 13.675 -7.366 -3.855 1.00 96.67 37 A 1 ATOM 274 C CA . LYS A 0 37 . 14.938 -7.192 -4.600 1.00 96.67 37 A 1 ATOM 275 C C . LYS A 0 37 . 14.874 -7.508 -6.104 1.00 96.67 37 A 1 ATOM 276 C CB . LYS A 0 37 . 16.096 -7.928 -3.895 1.00 96.67 37 A 1 ATOM 277 O O . LYS A 0 37 . 15.911 -7.554 -6.758 1.00 96.67 37 A 1 ATOM 278 C CG . LYS A 0 37 . 16.195 -7.723 -2.372 1.00 96.67 37 A 1 ATOM 279 C CD . LYS A 0 37 . 16.241 -6.251 -1.935 1.00 96.67 37 A 1 ATOM 280 C CE . LYS A 0 37 . 16.432 -6.176 -0.416 1.00 96.67 37 A 1 ATOM 281 N NZ . LYS A 0 37 . 16.295 -4.793 0.104 1.00 96.67 37 A 1 ATOM 282 N N . ARG A 0 38 . 13.675 -7.654 -6.682 1.00 96.19 38 A 1 ATOM 283 C CA . ARG A 0 38 . 13.470 -7.759 -8.137 1.00 96.19 38 A 1 ATOM 284 C C . ARG A 0 38 . 13.878 -6.463 -8.836 1.00 96.19 38 A 1 ATOM 285 C CB . ARG A 0 38 . 12.001 -8.098 -8.424 1.00 96.19 38 A 1 ATOM 286 O O . ARG A 0 38 . 13.553 -5.391 -8.333 1.00 96.19 38 A 1 ATOM 287 C CG . ARG A 0 38 . 11.739 -8.329 -9.923 1.00 96.19 38 A 1 ATOM 288 C CD . ARG A 0 38 . 10.275 -8.665 -10.209 1.00 96.19 38 A 1 ATOM 289 N NE . ARG A 0 38 . 9.868 -9.927 -9.562 1.00 96.19 38 A 1 ATOM 290 N NH1 . ARG A 0 38 . 7.855 -10.149 -10.635 1.00 96.19 38 A 1 ATOM 291 N NH2 . ARG A 0 38 . 8.506 -11.705 -9.165 1.00 96.19 38 A 1 ATOM 292 C CZ . ARG A 0 38 . 8.747 -10.586 -9.790 1.00 96.19 38 A 1 ATOM 293 N N . THR A 0 39 . 14.525 -6.560 -9.994 1.00 96.15 39 A 1 ATOM 294 C CA . THR A 0 39 . 14.874 -5.405 -10.834 1.00 96.15 39 A 1 ATOM 295 C C . THR A 0 39 . 13.632 -4.639 -11.288 1.00 96.15 39 A 1 ATOM 296 C CB . THR A 0 39 . 15.717 -5.829 -12.047 1.00 96.15 39 A 1 ATOM 297 O O . THR A 0 39 . 12.609 -5.228 -11.631 1.00 96.15 39 A 1 ATOM 298 C CG2 . THR A 0 39 . 17.062 -6.423 -11.629 1.00 96.15 39 A 1 ATOM 299 O OG1 . THR A 0 39 . 15.045 -6.824 -12.780 1.00 96.15 39 A 1 ATOM 300 N N . LEU A 0 40 . 13.732 -3.312 -11.262 1.00 97.66 40 A 1 ATOM 301 C CA . LEU A 0 40 . 12.675 -2.363 -11.624 1.00 97.66 40 A 1 ATOM 302 C C . LEU A 0 40 . 13.046 -1.511 -12.843 1.00 97.66 40 A 1 ATOM 303 C CB . LEU A 0 40 . 12.371 -1.460 -10.418 1.00 97.66 40 A 1 ATOM 304 O O . LEU A 0 40 . 12.279 -0.639 -13.228 1.00 97.66 40 A 1 ATOM 305 C CG . LEU A 0 40 . 11.829 -2.185 -9.184 1.00 97.66 40 A 1 ATOM 306 C CD1 . LEU A 0 40 . 11.622 -1.169 -8.066 1.00 97.66 40 A 1 ATOM 307 C CD2 . LEU A 0 40 . 10.508 -2.895 -9.456 1.00 97.66 40 A 1 ATOM 308 N N . ALA A 0 41 . 14.220 -1.743 -13.440 1.00 93.21 41 A 1 ATOM 309 C CA . ALA A 0 41 . 14.738 -0.936 -14.546 1.00 93.21 41 A 1 ATOM 310 C C . ALA A 0 41 . 13.808 -0.891 -15.775 1.00 93.21 41 A 1 ATOM 311 C CB . ALA A 0 41 . 16.126 -1.479 -14.911 1.00 93.21 41 A 1 ATOM 312 O O . ALA A 0 41 . 13.841 0.094 -16.502 1.00 93.21 41 A 1 ATOM 313 N N . ASP A 0 42 . 12.981 -1.923 -15.969 1.00 90.31 42 A 1 ATOM 314 C CA . ASP A 0 42 . 12.038 -2.065 -17.091 1.00 90.31 42 A 1 ATOM 315 C C . ASP A 0 42 . 10.608 -2.390 -16.607 1.00 90.31 42 A 1 ATOM 316 C CB . ASP A 0 42 . 12.591 -3.128 -18.052 1.00 90.31 42 A 1 ATOM 317 O O . ASP A 0 42 . 9.810 -3.017 -17.292 1.00 90.31 42 A 1 ATOM 318 C CG . ASP A 0 42 . 11.933 -3.050 -19.432 1.00 90.31 42 A 1 ATOM 319 O OD1 . ASP A 0 42 . 11.303 -4.053 -19.831 1.00 90.31 42 A 1 ATOM 320 O OD2 . ASP A 0 42 . 12.133 -2.002 -20.085 1.00 90.31 42 A 1 ATOM 321 N N . GLN A 0 43 . 10.277 -2.045 -15.360 1.00 91.82 43 A 1 ATOM 322 C CA . GLN A 0 43 . 8.970 -2.350 -14.770 1.00 91.82 43 A 1 ATOM 323 C C . GLN A 0 43 . 8.382 -1.109 -14.118 1.00 91.82 43 A 1 ATOM 324 C CB . GLN A 0 43 . 9.082 -3.497 -13.750 1.00 91.82 43 A 1 ATOM 325 O O . GLN A 0 43 . 9.101 -0.303 -13.534 1.00 91.82 43 A 1 ATOM 326 C CG . GLN A 0 43 . 9.290 -4.862 -14.422 1.00 91.82 43 A 1 ATOM 327 C CD . GLN A 0 43 . 9.598 -5.965 -13.412 1.00 91.82 43 A 1 ATOM 328 N NE2 . GLN A 0 43 . 10.718 -6.634 -13.573 1.00 91.82 43 A 1 ATOM 329 O OE1 . GLN A 0 43 . 8.875 -6.238 -12.458 1.00 91.82 43 A 1 ATOM 330 N N . SER A 0 44 . 7.056 -0.987 -14.143 1.00 93.53 44 A 1 ATOM 331 C CA . SER A 0 44 . 6.371 0.011 -13.328 1.00 93.53 44 A 1 ATOM 332 C C . SER A 0 44 . 6.647 -0.240 -11.845 1.00 93.53 44 A 1 ATOM 333 C CB . SER A 0 44 . 4.866 0.010 -13.591 1.00 93.53 44 A 1 ATOM 334 O O . SER A 0 44 . 6.605 -1.374 -11.352 1.00 93.53 44 A 1 ATOM 335 O OG . SER A 0 44 . 4.609 0.111 -14.977 1.00 93.53 44 A 1 ATOM 336 N N . PHE A 0 45 . 6.910 0.840 -11.123 1.00 96.69 45 A 1 ATOM 337 C CA . PHE A 0 45 . 7.203 0.812 -9.701 1.00 96.69 45 A 1 ATOM 338 C C . PHE A 0 45 . 6.489 1.961 -8.995 1.00 96.69 45 A 1 ATOM 339 C CB . PHE A 0 45 . 8.724 0.838 -9.484 1.00 96.69 45 A 1 ATOM 340 O O . PHE A 0 45 . 6.109 2.958 -9.605 1.00 96.69 45 A 1 ATOM 341 C CG . PHE A 0 45 . 9.415 2.090 -9.981 1.00 96.69 45 A 1 ATOM 342 C CD1 . PHE A 0 45 . 9.926 2.145 -11.290 1.00 96.69 45 A 1 ATOM 343 C CD2 . PHE A 0 45 . 9.509 3.221 -9.151 1.00 96.69 45 A 1 ATOM 344 C CE1 . PHE A 0 45 . 10.499 3.329 -11.783 1.00 96.69 45 A 1 ATOM 345 C CE2 . PHE A 0 45 . 10.070 4.408 -9.650 1.00 96.69 45 A 1 ATOM 346 C CZ . PHE A 0 45 . 10.567 4.466 -10.962 1.00 96.69 45 A 1 ATOM 347 N N . HIS A 0 46 . 6.329 1.807 -7.689 1.00 96.78 46 A 1 ATOM 348 C CA . HIS A 0 46 . 5.858 2.853 -6.795 1.00 96.78 46 A 1 ATOM 349 C C . HIS A 0 46 . 7.002 3.304 -5.897 1.00 96.78 46 A 1 ATOM 350 C CB . HIS A 0 46 . 4.686 2.332 -5.972 1.00 96.78 46 A 1 ATOM 351 O O . HIS A 0 46 . 7.972 2.572 -5.704 1.00 96.78 46 A 1 ATOM 352 C CG . HIS A 0 46 . 3.491 1.966 -6.804 1.00 96.78 46 A 1 ATOM 353 C CD2 . HIS A 0 46 . 3.241 0.749 -7.372 1.00 96.78 46 A 1 ATOM 354 N ND1 . HIS A 0 46 . 2.448 2.796 -7.141 1.00 96.78 46 A 1 ATOM 355 C CE1 . HIS A 0 46 . 1.590 2.091 -7.898 1.00 96.78 46 A 1 ATOM 356 N NE2 . HIS A 0 46 . 2.027 0.830 -8.056 1.00 96.78 46 A 1 ATOM 357 N N . VAL A 0 47 . 6.882 4.500 -5.333 1.00 96.93 47 A 1 ATOM 358 C CA . VAL A 0 47 . 7.907 5.088 -4.470 1.00 96.93 47 A 1 ATOM 359 C C . VAL A 0 47 . 7.272 5.471 -3.154 1.00 96.93 47 A 1 ATOM 360 C CB . VAL A 0 47 . 8.556 6.313 -5.122 1.00 96.93 47 A 1 ATOM 361 O O . VAL A 0 47 . 6.205 6.081 -3.133 1.00 96.93 47 A 1 ATOM 362 C CG1 . VAL A 0 47 . 9.653 6.927 -4.240 1.00 96.93 47 A 1 ATOM 363 C CG2 . VAL A 0 47 . 9.163 5.940 -6.471 1.00 96.93 47 A 1 ATOM 364 N N . LYS A 0 48 . 7.937 5.138 -2.053 1.00 96.10 48 A 1 ATOM 365 C CA . LYS A 0 48 . 7.578 5.633 -0.726 1.00 96.10 48 A 1 ATOM 366 C C . LYS A 0 48 . 8.851 5.898 0.054 1.00 96.10 48 A 1 ATOM 367 C CB . LYS A 0 48 . 6.650 4.622 -0.042 1.00 96.10 48 A 1 ATOM 368 O O . LYS A 0 48 . 9.685 5.010 0.146 1.00 96.10 48 A 1 ATOM 369 C CG . LYS A 0 48 . 6.284 4.986 1.395 1.00 96.10 48 A 1 ATOM 370 C CD . LYS A 0 48 . 5.386 3.903 2.000 1.00 96.10 48 A 1 ATOM 371 C CE . LYS A 0 48 . 4.942 4.376 3.385 1.00 96.10 48 A 1 ATOM 372 N NZ . LYS A 0 48 . 4.437 3.257 4.211 1.00 96.10 48 A 1 ATOM 373 N N . ASN A 0 49 . 8.967 7.097 0.625 1.00 94.37 49 A 1 ATOM 374 C CA . ASN A 0 49 . 10.151 7.536 1.371 1.00 94.37 49 A 1 ATOM 375 C C . ASN A 0 49 . 11.454 7.343 0.567 1.00 94.37 49 A 1 ATOM 376 C CB . ASN A 0 49 . 10.191 6.821 2.736 1.00 94.37 49 A 1 ATOM 377 O O . ASN A 0 49 . 12.387 6.727 1.062 1.00 94.37 49 A 1 ATOM 378 C CG . ASN A 0 49 . 8.917 6.926 3.545 1.00 94.37 49 A 1 ATOM 379 N ND2 . ASN A 0 49 . 8.608 5.917 4.323 1.00 94.37 49 A 1 ATOM 380 O OD1 . ASN A 0 49 . 8.175 7.890 3.509 1.00 94.37 49 A 1 ATOM 381 N N . ASP A 0 50 . 11.485 7.797 -0.691 1.00 92.05 50 A 1 ATOM 382 C CA . ASP A 0 50 . 12.622 7.643 -1.621 1.00 92.05 50 A 1 ATOM 383 C C . ASP A 0 50 . 12.994 6.202 -2.029 1.00 92.05 50 A 1 ATOM 384 C CB . ASP A 0 50 . 13.849 8.410 -1.100 1.00 92.05 50 A 1 ATOM 385 O O . ASP A 0 50 . 13.890 6.014 -2.856 1.00 92.05 50 A 1 ATOM 386 C CG . ASP A 0 50 . 13.721 9.912 -1.292 1.00 92.05 50 A 1 ATOM 387 O OD1 . ASP A 0 50 . 14.539 10.409 -2.105 1.00 92.05 50 A 1 ATOM 388 O OD2 . ASP A 0 50 . 12.860 10.528 -0.628 1.00 92.05 50 A 1 ATOM 389 N N . ASP A 0 51 . 12.293 5.190 -1.520 1.00 95.00 51 A 1 ATOM 390 C CA . ASP A 0 51 . 12.525 3.784 -1.838 1.00 95.00 51 A 1 ATOM 391 C C . ASP A 0 51 . 11.589 3.286 -2.956 1.00 95.00 51 A 1 ATOM 392 C CB . ASP A 0 51 . 12.348 2.939 -0.574 1.00 95.00 51 A 1 ATOM 393 O O . ASP A 0 51 . 10.375 3.517 -2.890 1.00 95.00 51 A 1 ATOM 394 C CG . ASP A 0 51 . 13.623 2.875 0.257 1.00 95.00 51 A 1 ATOM 395 O OD1 . ASP A 0 51 . 14.560 2.204 -0.242 1.00 95.00 51 A 1 ATOM 396 O OD2 . ASP A 0 51 . 13.605 3.347 1.411 1.00 95.00 51 A 1 ATOM 397 N N . PRO A 0 52 . 12.105 2.577 -3.979 1.00 97.46 52 A 1 ATOM 398 C CA . PRO A 0 52 . 11.288 2.006 -5.044 1.00 97.46 52 A 1 ATOM 399 C C . PRO A 0 52 . 10.738 0.608 -4.691 1.00 97.46 52 A 1 ATOM 400 C CB . PRO A 0 52 . 12.212 1.997 -6.261 1.00 97.46 52 A 1 ATOM 401 O O . PRO A 0 52 . 11.431 -0.269 -4.172 1.00 97.46 52 A 1 ATOM 402 C CG . PRO A 0 52 . 13.585 1.719 -5.648 1.00 97.46 52 A 1 ATOM 403 C CD . PRO A 0 52 . 13.521 2.454 -4.310 1.00 97.46 52 A 1 ATOM 404 N N . PHE A 0 53 . 9.483 0.340 -5.053 1.00 98.39 53 A 1 ATOM 405 C CA . PHE A 0 53 . 8.776 -0.918 -4.799 1.00 98.39 53 A 1 ATOM 406 C C . PHE A 0 53 . 8.097 -1.434 -6.069 1.00 98.39 53 A 1 ATOM 407 C CB . PHE A 0 53 . 7.747 -0.734 -3.673 1.00 98.39 53 A 1 ATOM 408 O O . PHE A 0 53 . 7.464 -0.669 -6.792 1.00 98.39 53 A 1 ATOM 409 C CG . PHE A 0 53 . 8.329 -0.247 -2.359 1.00 98.39 53 A 1 ATOM 410 C CD1 . PHE A 0 53 . 8.736 -1.164 -1.368 1.00 98.39 53 A 1 ATOM 411 C CD2 . PHE A 0 53 . 8.466 1.133 -2.125 1.00 98.39 53 A 1 ATOM 412 C CE1 . PHE A 0 53 . 9.264 -0.694 -0.149 1.00 98.39 53 A 1 ATOM 413 C CE2 . PHE A 0 53 . 9.017 1.594 -0.919 1.00 98.39 53 A 1 ATOM 414 C CZ . PHE A 0 53 . 9.418 0.684 0.069 1.00 98.39 53 A 1 ATOM 415 N N . CYS A 0 54 . 8.172 -2.742 -6.337 1.00 97.60 54 A 1 ATOM 416 C CA . CYS A 0 54 . 7.407 -3.328 -7.441 1.00 97.60 54 A 1 ATOM 417 C C . CYS A 0 54 . 5.899 -3.262 -7.149 1.00 97.60 54 A 1 ATOM 418 C CB . CYS A 0 54 . 7.875 -4.766 -7.737 1.00 97.60 54 A 1 ATOM 419 O O . CYS A 0 54 . 5.494 -3.251 -5.984 1.00 97.60 54 A 1 ATOM 420 S SG . CYS A 0 54 . 7.357 -5.937 -6.452 1.00 97.60 54 A 1 ATOM 421 N N . ALA A 0 55 . 5.070 -3.296 -8.195 1.00 95.27 55 A 1 ATOM 422 C CA . ALA A 0 55 . 3.610 -3.246 -8.068 1.00 95.27 55 A 1 ATOM 423 C C . ALA A 0 55 . 3.042 -4.297 -7.094 1.00 95.27 55 A 1 ATOM 424 C CB . ALA A 0 55 . 3.011 -3.408 -9.469 1.00 95.27 55 A 1 ATOM 425 O O . ALA A 0 55 . 2.171 -3.984 -6.287 1.00 95.27 55 A 1 ATOM 426 N N . ASN A 0 56 . 3.577 -5.524 -7.102 1.00 95.70 56 A 1 ATOM 427 C CA . ASN A 0 56 . 3.124 -6.585 -6.198 1.00 95.70 56 A 1 ATOM 428 C C . ASN A 0 56 . 3.456 -6.285 -4.729 1.00 95.70 56 A 1 ATOM 429 C CB . ASN A 0 56 . 3.729 -7.924 -6.644 1.00 95.70 56 A 1 ATOM 430 O O . ASN A 0 56 . 2.588 -6.349 -3.867 1.00 95.70 56 A 1 ATOM 431 C CG . ASN A 0 56 . 3.116 -9.064 -5.853 1.00 95.70 56 A 1 ATOM 432 N ND2 . ASN A 0 56 . 3.860 -9.727 -4.999 1.00 95.70 56 A 1 ATOM 433 O OD1 . ASN A 0 56 . 1.948 -9.360 -5.994 1.00 95.70 56 A 1 ATOM 434 N N . CYS A 0 57 . 4.704 -5.910 -4.432 1.00 97.92 57 A 1 ATOM 435 C CA . CYS A 0 57 . 5.084 -5.536 -3.072 1.00 97.92 57 A 1 ATOM 436 C C . CYS A 0 57 . 4.333 -4.287 -2.607 1.00 97.92 57 A 1 ATOM 437 C CB . CYS A 0 57 . 6.597 -5.315 -2.996 1.00 97.92 57 A 1 ATOM 438 O O . CYS A 0 57 . 3.970 -4.210 -1.437 1.00 97.92 57 A 1 ATOM 439 S SG . CYS A 0 57 . 7.461 -6.911 -3.029 1.00 97.92 57 A 1 ATOM 440 N N . TRP A 0 58 . 4.065 -3.344 -3.513 1.00 96.77 58 A 1 ATOM 441 C CA . TRP A 0 58 . 3.241 -2.187 -3.203 1.00 96.77 58 A 1 ATOM 442 C C . TRP A 0 58 . 1.814 -2.581 -2.826 1.00 96.77 58 A 1 ATOM 443 C CB . TRP A 0 58 . 3.257 -1.195 -4.365 1.00 96.77 58 A 1 ATOM 444 O O . TRP A 0 58 . 1.321 -2.168 -1.778 1.00 96.77 58 A 1 ATOM 445 C CG . TRP A 0 58 . 2.454 0.028 -4.076 1.00 96.77 58 A 1 ATOM 446 C CD1 . TRP A 0 58 . 1.147 0.203 -4.358 1.00 96.77 58 A 1 ATOM 447 C CD2 . TRP A 0 58 . 2.878 1.240 -3.397 1.00 96.77 58 A 1 ATOM 448 C CE2 . TRP A 0 58 . 1.765 2.122 -3.290 1.00 96.77 58 A 1 ATOM 449 C CE3 . TRP A 0 58 . 4.110 1.689 -2.888 1.00 96.77 58 A 1 ATOM 450 N NE1 . TRP A 0 58 . 0.731 1.427 -3.871 1.00 96.77 58 A 1 ATOM 451 C CH2 . TRP A 0 58 . 3.115 3.821 -2.229 1.00 96.77 58 A 1 ATOM 452 C CZ2 . TRP A 0 58 . 1.862 3.389 -2.698 1.00 96.77 58 A 1 ATOM 453 C CZ3 . TRP A 0 58 . 4.231 2.971 -2.339 1.00 96.77 58 A 1 ATOM 454 N N . LYS A 0 59 . 1.182 -3.434 -3.639 1.00 95.40 59 A 1 ATOM 455 C CA . LYS A 0 59 . -0.151 -3.980 -3.382 1.00 95.40 59 A 1 ATOM 456 C C . LYS A 0 59 . -0.235 -4.650 -2.013 1.00 95.40 59 A 1 ATOM 457 C CB . LYS A 0 59 . -0.554 -4.899 -4.543 1.00 95.40 59 A 1 ATOM 458 O O . LYS A 0 59 . -1.089 -4.294 -1.214 1.00 95.40 59 A 1 ATOM 459 C CG . LYS A 0 59 . -1.976 -5.437 -4.361 1.00 95.40 59 A 1 ATOM 460 C CD . LYS A 0 59 . -2.451 -6.205 -5.596 1.00 95.40 59 A 1 ATOM 461 C CE . LYS A 0 59 . -3.850 -6.761 -5.315 1.00 95.40 59 A 1 ATOM 462 N NZ . LYS A 0 59 . -4.441 -7.398 -6.517 1.00 95.40 59 A 1 ATOM 463 N N . GLU A 0 60 . 0.694 -5.543 -1.707 1.00 95.40 60 A 1 ATOM 464 C CA . GLU A 0 60 . 0.618 -6.332 -0.476 1.00 95.40 60 A 1 ATOM 465 C C . GLU A 0 60 . 0.939 -5.535 0.799 1.00 95.40 60 A 1 ATOM 466 C CB . GLU A 0 60 . 1.538 -7.554 -0.609 1.00 95.40 60 A 1 ATOM 467 O O . GLU A 0 60 . 0.391 -5.844 1.855 1.00 95.40 60 A 1 ATOM 468 C CG . GLU A 0 60 . 1.079 -8.536 -1.701 1.00 95.40 60 A 1 ATOM 469 C CD . GLU A 0 60 . -0.357 -9.020 -1.463 1.00 95.40 60 A 1 ATOM 470 O OE1 . GLU A 0 60 . -1.260 -8.562 -2.202 1.00 95.40 60 A 1 ATOM 471 O OE2 . GLU A 0 60 . -0.554 -9.797 -0.504 1.00 95.40 60 A 1 ATOM 472 N N . ASN A 0 61 . 1.805 -4.515 0.720 1.00 95.82 61 A 1 ATOM 473 C CA . ASN A 0 61 . 2.327 -3.825 1.910 1.00 95.82 61 A 1 ATOM 474 C C . ASN A 0 61 . 1.767 -2.413 2.121 1.00 95.82 61 A 1 ATOM 475 C CB . ASN A 0 61 . 3.864 -3.784 1.858 1.00 95.82 61 A 1 ATOM 476 O O . ASN A 0 61 . 1.826 -1.906 3.240 1.00 95.82 61 A 1 ATOM 477 C CG . ASN A 0 61 . 4.482 -5.166 1.918 1.00 95.82 61 A 1 ATOM 478 N ND2 . ASN A 0 61 . 4.650 -5.820 0.794 1.00 95.82 61 A 1 ATOM 479 O OD1 . ASN A 0 61 . 4.825 -5.680 2.964 1.00 95.82 61 A 1 ATOM 480 N N . PHE A 0 62 . 1.274 -1.752 1.070 1.00 95.34 62 A 1 ATOM 481 C CA . PHE A 0 62 . 0.900 -0.335 1.136 1.00 95.34 62 A 1 ATOM 482 C C . PHE A 0 62 . -0.492 -0.021 0.599 1.00 95.34 62 A 1 ATOM 483 C CB . PHE A 0 62 . 1.949 0.521 0.410 1.00 95.34 62 A 1 ATOM 484 O O . PHE A 0 62 . -1.000 1.056 0.910 1.00 95.34 62 A 1 ATOM 485 C CG . PHE A 0 62 . 3.384 0.281 0.843 1.00 95.34 62 A 1 ATOM 486 C CD1 . PHE A 0 62 . 3.777 0.441 2.184 1.00 95.34 62 A 1 ATOM 487 C CD2 . PHE A 0 62 . 4.329 -0.134 -0.103 1.00 95.34 62 A 1 ATOM 488 C CE1 . PHE A 0 62 . 5.107 0.180 2.565 1.00 95.34 62 A 1 ATOM 489 C CE2 . PHE A 0 62 . 5.649 -0.413 0.273 1.00 95.34 62 A 1 ATOM 490 C CZ . PHE A 0 62 . 6.044 -0.248 1.608 1.00 95.34 62 A 1 ATOM 491 N N . GLN A 0 63 . -1.126 -0.906 -0.180 1.00 95.48 63 A 1 ATOM 492 C CA . GLN A 0 63 . -2.488 -0.626 -0.631 1.00 95.48 63 A 1 ATOM 493 C C . GLN A 0 63 . -3.483 -0.680 0.536 1.00 95.48 63 A 1 ATOM 494 C CB . GLN A 0 63 . -2.942 -1.523 -1.789 1.00 95.48 63 A 1 ATOM 495 O O . GLN A 0 63 . -3.393 -1.585 1.376 1.00 95.48 63 A 1 ATOM 496 C CG . GLN A 0 63 . -2.292 -1.111 -3.116 1.00 95.48 63 A 1 ATOM 497 C CD . GLN A 0 63 . -2.721 0.272 -3.589 1.00 95.48 63 A 1 ATOM 498 N NE2 . GLN A 0 63 . -2.025 0.882 -4.517 1.00 95.48 63 A 1 ATOM 499 O OE1 . GLN A 0 63 . -3.685 0.861 -3.154 1.00 95.48 63 A 1 ATOM 500 N N . PRO A 0 64 . -4.441 0.266 0.602 1.00 96.25 64 A 1 ATOM 501 C CA . PRO A 0 64 . -5.454 0.286 1.642 1.00 96.25 64 A 1 ATOM 502 C C . PRO A 0 64 . -6.212 -1.035 1.720 1.00 96.25 64 A 1 ATOM 503 C CB . PRO A 0 64 . -6.387 1.454 1.311 1.00 96.25 64 A 1 ATOM 504 O O . PRO A 0 64 . -6.642 -1.608 0.717 1.00 96.25 64 A 1 ATOM 505 C CG . PRO A 0 64 . -5.495 2.395 0.510 1.00 96.25 64 A 1 ATOM 506 C CD . PRO A 0 64 . -4.617 1.423 -0.267 1.00 96.25 64 A 1 ATOM 507 N N . ARG A 0 65 . -6.406 -1.507 2.949 1.00 97.65 65 A 1 ATOM 508 C CA . ARG A 0 65 . -7.165 -2.716 3.245 1.00 97.65 65 A 1 ATOM 509 C C . ARG A 0 65 . -8.478 -2.327 3.895 1.00 97.65 65 A 1 ATOM 510 C CB . ARG A 0 65 . -6.306 -3.645 4.108 1.00 97.65 65 A 1 ATOM 511 O O . ARG A 0 65 . -8.494 -1.515 4.817 1.00 97.65 65 A 1 ATOM 512 C CG . ARG A 0 65 . -6.821 -5.083 4.062 1.00 97.65 65 A 1 ATOM 513 C CD . ARG A 0 65 . -5.871 -6.026 4.814 1.00 97.65 65 A 1 ATOM 514 N NE . ARG A 0 65 . -5.634 -7.261 4.048 1.00 97.65 65 A 1 ATOM 515 N NH1 . ARG A 0 65 . -3.725 -6.672 2.908 1.00 97.65 65 A 1 ATOM 516 N NH2 . ARG A 0 65 . -4.703 -8.633 2.499 1.00 97.65 65 A 1 ATOM 517 C CZ . ARG A 0 65 . -4.688 -7.512 3.162 1.00 97.65 65 A 1 ATOM 518 N N . CYS A 0 66 . -9.571 -2.915 3.427 1.00 98.16 66 A 1 ATOM 519 C CA . CYS A 0 66 . -10.869 -2.680 4.028 1.00 98.16 66 A 1 ATOM 520 C C . CYS A 0 66 . -10.876 -3.188 5.472 1.00 98.16 66 A 1 ATOM 521 C CB . CYS A 0 66 . -11.944 -3.332 3.167 1.00 98.16 66 A 1 ATOM 522 O O . CYS A 0 66 . -10.652 -4.372 5.706 1.00 98.16 66 A 1 ATOM 523 S SG . CYS A 0 66 . -13.569 -3.182 3.969 1.00 98.16 66 A 1 ATOM 524 N N . ALA A 0 67 . -11.183 -2.314 6.428 1.00 96.51 67 A 1 ATOM 525 C CA . ALA A 0 67 . -11.205 -2.670 7.843 1.00 96.51 67 A 1 ATOM 526 C C . ALA A 0 67 . -12.357 -3.622 8.226 1.00 96.51 67 A 1 ATOM 527 C CB . ALA A 0 67 . -11.204 -1.374 8.655 1.00 96.51 67 A 1 ATOM 528 O O . ALA A 0 67 . -12.283 -4.252 9.275 1.00 96.51 67 A 1 ATOM 529 N N . THR A 0 68 . -13.387 -3.770 7.382 1.00 96.24 68 A 1 ATOM 530 C CA . THR A 0 68 . -14.489 -4.727 7.606 1.00 96.24 68 A 1 ATOM 531 C C . THR A 0 68 . -14.171 -6.122 7.067 1.00 96.24 68 A 1 ATOM 532 C CB . THR A 0 68 . -15.796 -4.251 6.957 1.00 96.24 68 A 1 ATOM 533 O O . THR A 0 68 . -14.386 -7.108 7.760 1.00 96.24 68 A 1 ATOM 534 C CG2 . THR A 0 68 . -17.025 -5.051 7.376 1.00 96.24 68 A 1 ATOM 535 O OG1 . THR A 0 68 . -16.057 -2.905 7.266 1.00 96.24 68 A 1 ATOM 536 N N . CYS A 0 69 . -13.694 -6.237 5.820 1.00 96.85 69 A 1 ATOM 537 C CA . CYS A 0 69 . -13.515 -7.541 5.162 1.00 96.85 69 A 1 ATOM 538 C C . CYS A 0 69 . -12.052 -7.975 5.008 1.00 96.85 69 A 1 ATOM 539 C CB . CYS A 0 69 . -14.275 -7.554 3.828 1.00 96.85 69 A 1 ATOM 540 O O . CYS A 0 69 . -11.787 -9.053 4.478 1.00 96.85 69 A 1 ATOM 541 S SG . CYS A 0 69 . -13.427 -6.550 2.580 1.00 96.85 69 A 1 ATOM 542 N N . SER A 0 70 . -11.101 -7.139 5.426 1.00 96.94 70 A 1 ATOM 543 C CA . SER A 0 70 . -9.661 -7.405 5.367 1.00 96.94 70 A 1 ATOM 544 C C . SER A 0 70 . -9.131 -7.722 3.963 1.00 96.94 70 A 1 ATOM 545 C CB . SER A 0 70 . -9.274 -8.471 6.398 1.00 96.94 70 A 1 ATOM 546 O O . SER A 0 70 . -8.070 -8.328 3.825 1.00 96.94 70 A 1 ATOM 547 O OG . SER A 0 70 . -9.658 -8.024 7.681 1.00 96.94 70 A 1 ATOM 548 N N . LYS A 0 71 . -9.830 -7.309 2.901 1.00 97.76 71 A 1 ATOM 549 C CA . LYS A 0 71 . -9.339 -7.391 1.517 1.00 97.76 71 A 1 ATOM 550 C C . LYS A 0 71 . -8.710 -6.068 1.099 1.00 97.76 71 A 1 ATOM 551 C CB . LYS A 0 71 . -10.453 -7.817 0.552 1.00 97.76 71 A 1 ATOM 552 O O . LYS A 0 71 . -9.133 -5.010 1.564 1.00 97.76 71 A 1 ATOM 553 C CG . LYS A 0 71 . -10.963 -9.235 0.847 1.00 97.76 71 A 1 ATOM 554 C CD . LYS A 0 71 . -12.043 -9.639 -0.162 1.00 97.76 71 A 1 ATOM 555 C CE . LYS A 0 71 . -12.568 -11.041 0.164 1.00 97.76 71 A 1 ATOM 556 N NZ . LYS A 0 71 . -13.639 -11.453 -0.779 1.00 97.76 71 A 1 ATOM 557 N N . ILE A 0 72 . -7.686 -6.146 0.252 1.00 97.05 72 A 1 ATOM 558 C CA . ILE A 0 72 . -7.099 -4.968 -0.397 1.00 97.05 72 A 1 ATOM 559 C C . ILE A 0 72 . -8.176 -4.343 -1.281 1.00 97.05 72 A 1 ATOM 560 C CB . ILE A 0 72 . -5.840 -5.351 -1.205 1.00 97.05 72 A 1 ATOM 561 O O . ILE A 0 72 . -8.836 -5.068 -2.022 1.00 97.05 72 A 1 ATOM 562 C CG1 . ILE A 0 72 . -4.739 -5.850 -0.243 1.00 97.05 72 A 1 ATOM 563 C CG2 . ILE A 0 72 . -5.339 -4.151 -2.025 1.00 97.05 72 A 1 ATOM 564 C CD1 . ILE A 0 72 . -3.573 -6.550 -0.945 1.00 97.05 72 A 1 ATOM 565 N N . ILE A 0 73 . -8.344 -3.032 -1.163 1.00 97.54 73 A 1 ATOM 566 C CA . ILE A 0 73 . -9.236 -2.242 -2.009 1.00 97.54 73 A 1 ATOM 567 C C . ILE A 0 73 . -8.486 -1.973 -3.314 1.00 97.54 73 A 1 ATOM 568 C CB . ILE A 0 73 . -9.625 -0.947 -1.267 1.00 97.54 73 A 1 ATOM 569 O O . ILE A 0 73 . -7.334 -1.528 -3.274 1.00 97.54 73 A 1 ATOM 570 C CG1 . ILE A 0 73 . -10.371 -1.269 0.054 1.00 97.54 73 A 1 ATOM 571 C CG2 . ILE A 0 73 . -10.476 -0.035 -2.162 1.00 97.54 73 A 1 ATOM 572 C CD1 . ILE A 0 73 . -10.601 -0.058 0.958 1.00 97.54 73 A 1 ATOM 573 N N . ASP A 0 74 . -9.091 -2.283 -4.459 1.00 94.37 74 A 1 ATOM 574 C CA . ASP A 0 74 . -8.433 -2.054 -5.740 1.00 94.37 74 A 1 ATOM 575 C C . ASP A 0 74 . -8.226 -0.544 -5.986 1.00 94.37 74 A 1 ATOM 576 C CB . ASP A 0 74 . -9.220 -2.715 -6.874 1.00 94.37 74 A 1 ATOM 577 O O . ASP A 0 74 . -9.103 0.256 -5.657 1.00 94.37 74 A 1 ATOM 578 C CG . ASP A 0 74 . -8.446 -2.625 -8.180 1.00 94.37 74 A 1 ATOM 579 O OD1 . ASP A 0 74 . -8.664 -1.636 -8.915 1.00 94.37 74 A 1 ATOM 580 O OD2 . ASP A 0 74 . -7.553 -3.478 -8.388 1.00 94.37 74 A 1 ATOM 581 N N . PRO A 0 75 . -7.098 -0.112 -6.582 1.00 90.50 75 A 1 ATOM 582 C CA . PRO A 0 75 . -6.860 1.304 -6.865 1.00 90.50 75 A 1 ATOM 583 C C . PRO A 0 75 . -7.908 1.962 -7.777 1.00 90.50 75 A 1 ATOM 584 C CB . PRO A 0 75 . -5.474 1.355 -7.515 1.00 90.50 75 A 1 ATOM 585 O O . PRO A 0 75 . -8.021 3.187 -7.774 1.00 90.50 75 A 1 ATOM 586 C CG . PRO A 0 75 . -4.778 0.111 -6.969 1.00 90.50 75 A 1 ATOM 587 C CD . PRO A 0 75 . -5.913 -0.900 -6.884 1.00 90.50 75 A 1 ATOM 588 N N . SER A 0 76 . -8.647 1.180 -8.573 1.00 93.52 76 A 1 ATOM 589 C CA . SER A 0 76 . -9.742 1.674 -9.419 1.00 93.52 76 A 1 ATOM 590 C C . SER A 0 76 . -11.073 1.825 -8.672 1.00 93.52 76 A 1 ATOM 591 C CB . SER A 0 76 . -9.914 0.780 -10.653 1.00 93.52 76 A 1 ATOM 592 O O . SER A 0 76 . -11.996 2.463 -9.183 1.00 93.52 76 A 1 ATOM 593 O OG . SER A 0 76 . -10.457 -0.485 -10.336 1.00 93.52 76 A 1 ATOM 594 N N . GLU A 0 77 . -11.188 1.280 -7.459 1.00 94.62 77 A 1 ATOM 595 C CA . GLU A 0 77 . -12.403 1.354 -6.658 1.00 94.62 77 A 1 ATOM 596 C C . GLU A 0 77 . -12.459 2.646 -5.838 1.00 94.62 77 A 1 ATOM 597 C CB . GLU A 0 77 . -12.541 0.131 -5.740 1.00 94.62 77 A 1 ATOM 598 O O . GLU A 0 77 . -11.524 3.033 -5.137 1.00 94.62 77 A 1 ATOM 599 C CG . GLU A 0 77 . -12.869 -1.158 -6.501 1.00 94.62 77 A 1 ATOM 600 C CD . GLU A 0 77 . -12.947 -2.337 -5.519 1.00 94.62 77 A 1 ATOM 601 O OE1 . GLU A 0 77 . -14.073 -2.594 -5.029 1.00 94.62 77 A 1 ATOM 602 O OE2 . GLU A 0 77 . -11.893 -2.934 -5.201 1.00 94.62 77 A 1 ATOM 603 N N . GLN A 0 78 . -13.622 3.296 -5.842 1.00 94.53 78 A 1 ATOM 604 C CA . GLN A 0 78 . -13.913 4.325 -4.850 1.00 94.53 78 A 1 ATOM 605 C C . GLN A 0 78 . -14.206 3.675 -3.493 1.00 94.53 78 A 1 ATOM 606 C CB . GLN A 0 78 . -15.097 5.183 -5.291 1.00 94.53 78 A 1 ATOM 607 O O . GLN A 0 78 . -15.005 2.742 -3.402 1.00 94.53 78 A 1 ATOM 608 C CG . GLN A 0 78 . -14.822 6.035 -6.534 1.00 94.53 78 A 1 ATOM 609 C CD . GLN A 0 78 . -16.017 6.936 -6.829 1.00 94.53 78 A 1 ATOM 610 N NE2 . GLN A 0 78 . -15.827 8.224 -6.986 1.00 94.53 78 A 1 ATOM 611 O OE1 . GLN A 0 78 . -17.164 6.510 -6.826 1.00 94.53 78 A 1 ATOM 612 N N . TYR A 0 79 . -13.650 4.237 -2.423 1.00 96.23 79 A 1 ATOM 613 C CA . TYR A 0 79 . -13.778 3.711 -1.067 1.00 96.23 79 A 1 ATOM 614 C C . TYR A 0 79 . -14.052 4.817 -0.044 1.00 96.23 79 A 1 ATOM 615 C CB . TYR A 0 79 . -12.523 2.895 -0.745 1.00 96.23 79 A 1 ATOM 616 O O . TYR A 0 79 . -13.940 6.004 -0.342 1.00 96.23 79 A 1 ATOM 617 C CG . TYR A 0 79 . -11.233 3.680 -0.638 1.00 96.23 79 A 1 ATOM 618 C CD1 . TYR A 0 79 . -10.476 3.956 -1.792 1.00 96.23 79 A 1 ATOM 619 C CD2 . TYR A 0 79 . -10.765 4.092 0.625 1.00 96.23 79 A 1 ATOM 620 C CE1 . TYR A 0 79 . -9.275 4.682 -1.691 1.00 96.23 79 A 1 ATOM 621 C CE2 . TYR A 0 79 . -9.542 4.779 0.729 1.00 96.23 79 A 1 ATOM 622 O OH . TYR A 0 79 . -7.651 5.805 -0.327 1.00 96.23 79 A 1 ATOM 623 C CZ . TYR A 0 79 . -8.810 5.104 -0.430 1.00 96.23 79 A 1 ATOM 624 N N . MET A 0 80 . -14.453 4.419 1.161 1.00 96.03 80 A 1 ATOM 625 C CA . MET A 0 80 . -14.669 5.320 2.291 1.00 96.03 80 A 1 ATOM 626 C C . MET A 0 80 . -13.442 5.331 3.193 1.00 96.03 80 A 1 ATOM 627 C CB . MET A 0 80 . -15.909 4.887 3.086 1.00 96.03 80 A 1 ATOM 628 O O . MET A 0 80 . -12.888 4.272 3.486 1.00 96.03 80 A 1 ATOM 629 C CG . MET A 0 80 . -17.206 5.019 2.283 1.00 96.03 80 A 1 ATOM 630 S SD . MET A 0 80 . -17.572 6.688 1.665 1.00 96.03 80 A 1 ATOM 631 C CE . MET A 0 80 . -17.718 7.596 3.231 1.00 96.03 80 A 1 ATOM 632 N N . THR A 0 81 . -13.056 6.505 3.683 1.00 94.75 81 A 1 ATOM 633 C CA . THR A 0 81 . -12.084 6.654 4.768 1.00 94.75 81 A 1 ATOM 634 C C . THR A 0 81 . -12.768 7.205 6.007 1.00 94.75 81 A 1 ATOM 635 C CB . THR A 0 81 . -10.891 7.537 4.385 1.00 94.75 81 A 1 ATOM 636 O O . THR A 0 81 . -13.534 8.164 5.939 1.00 94.75 81 A 1 ATOM 637 C CG2 . THR A 0 81 . -10.023 6.858 3.337 1.00 94.75 81 A 1 ATOM 638 O OG1 . THR A 0 81 . -11.320 8.755 3.830 1.00 94.75 81 A 1 ATOM 639 N N . TYR A 0 82 . -12.507 6.589 7.155 1.00 93.01 82 A 1 ATOM 640 C CA . TYR A 0 82 . -12.948 7.098 8.446 1.00 93.01 82 A 1 ATOM 641 C C . TYR A 0 82 . -11.998 6.623 9.544 1.00 93.01 82 A 1 ATOM 642 C CB . TYR A 0 82 . -14.387 6.646 8.734 1.00 93.01 82 A 1 ATOM 643 O O . TYR A 0 82 . -11.719 5.427 9.628 1.00 93.01 82 A 1 ATOM 644 C CG . TYR A 0 82 . -14.878 7.196 10.053 1.00 93.01 82 A 1 ATOM 645 C CD1 . TYR A 0 82 . -14.820 6.400 11.211 1.00 93.01 82 A 1 ATOM 646 C CD2 . TYR A 0 82 . -15.267 8.545 10.137 1.00 93.01 82 A 1 ATOM 647 C CE1 . TYR A 0 82 . -15.134 6.962 12.463 1.00 93.01 82 A 1 ATOM 648 C CE2 . TYR A 0 82 . -15.585 9.110 11.384 1.00 93.01 82 A 1 ATOM 649 O OH . TYR A 0 82 . -15.720 8.889 13.762 1.00 93.01 82 A 1 ATOM 650 C CZ . TYR A 0 82 . -15.497 8.324 12.550 1.00 93.01 82 A 1 ATOM 651 N N . ASN A 0 83 . -11.530 7.548 10.391 1.00 91.20 83 A 1 ATOM 652 C CA . ASN A 0 83 . -10.603 7.273 11.496 1.00 91.20 83 A 1 ATOM 653 C C . ASN A 0 83 . -9.369 6.460 11.047 1.00 91.20 83 A 1 ATOM 654 C CB . ASN A 0 83 . -11.400 6.632 12.647 1.00 91.20 83 A 1 ATOM 655 O O . ASN A 0 83 . -9.131 5.357 11.540 1.00 91.20 83 A 1 ATOM 656 C CG . ASN A 0 83 . -10.619 6.629 13.946 1.00 91.20 83 A 1 ATOM 657 N ND2 . ASN A 0 83 . -10.722 5.591 14.742 1.00 91.20 83 A 1 ATOM 658 O OD1 . ASN A 0 83 . -9.956 7.583 14.298 1.00 91.20 83 A 1 ATOM 659 N N . ASP A 0 84 . -8.684 6.956 10.008 1.00 91.97 84 A 1 ATOM 660 C CA . ASP A 0 84 . -7.502 6.344 9.372 1.00 91.97 84 A 1 ATOM 661 C C . ASP A 0 84 . -7.701 4.915 8.832 1.00 91.97 84 A 1 ATOM 662 C CB . ASP A 0 84 . -6.280 6.488 10.288 1.00 91.97 84 A 1 ATOM 663 O O . ASP A 0 84 . -6.751 4.228 8.452 1.00 91.97 84 A 1 ATOM 664 C CG . ASP A 0 84 . -6.021 7.964 10.574 1.00 91.97 84 A 1 ATOM 665 O OD1 . ASP A 0 84 . -5.556 8.644 9.632 1.00 91.97 84 A 1 ATOM 666 O OD2 . ASP A 0 84 . -6.372 8.410 11.687 1.00 91.97 84 A 1 ATOM 667 N N . ARG A 0 85 . -8.953 4.458 8.743 1.00 95.78 85 A 1 ATOM 668 C CA . ARG A 0 85 . -9.332 3.164 8.174 1.00 95.78 85 A 1 ATOM 669 C C . ARG A 0 85 . -10.025 3.357 6.840 1.00 95.78 85 A 1 ATOM 670 C CB . ARG A 0 85 . -10.220 2.400 9.158 1.00 95.78 85 A 1 ATOM 671 O O . ARG A 0 85 . -10.825 4.275 6.668 1.00 95.78 85 A 1 ATOM 672 C CG . ARG A 0 85 . -9.451 1.990 10.417 1.00 95.78 85 A 1 ATOM 673 C CD . ARG A 0 85 . -10.415 1.355 11.418 1.00 95.78 85 A 1 ATOM 674 N NE . ARG A 0 85 . -9.700 0.870 12.608 1.00 95.78 85 A 1 ATOM 675 N NH1 . ARG A 0 85 . -11.545 0.144 13.761 1.00 95.78 85 A 1 ATOM 676 N NH2 . ARG A 0 85 . -9.516 -0.064 14.674 1.00 95.78 85 A 1 ATOM 677 C CZ . ARG A 0 85 . -10.255 0.318 13.671 1.00 95.78 85 A 1 ATOM 678 N N . ALA A 0 86 . -9.740 2.454 5.911 1.00 97.65 86 A 1 ATOM 679 C CA . ALA A 0 86 . -10.397 2.393 4.617 1.00 97.65 86 A 1 ATOM 680 C C . ALA A 0 86 . -11.481 1.308 4.614 1.00 97.65 86 A 1 ATOM 681 C CB . ALA A 0 86 . -9.337 2.177 3.537 1.00 97.65 86 A 1 ATOM 682 O O . ALA A 0 86 . -11.357 0.284 5.287 1.00 97.65 86 A 1 ATOM 683 N N . TYR A 0 87 . -12.536 1.506 3.832 1.00 97.93 87 A 1 ATOM 684 C CA . TYR A 0 87 . -13.652 0.576 3.703 1.00 97.93 87 A 1 ATOM 685 C C . TYR A 0 87 . -14.152 0.560 2.263 1.00 97.93 87 A 1 ATOM 686 C CB . TYR A 0 87 . -14.806 0.999 4.626 1.00 97.93 87 A 1 ATOM 687 O O . TYR A 0 87 . -14.371 1.625 1.689 1.00 97.93 87 A 1 ATOM 688 C CG . TYR A 0 87 . -14.458 1.186 6.088 1.00 97.93 87 A 1 ATOM 689 C CD1 . TYR A 0 87 . -14.683 0.141 6.998 1.00 97.93 87 A 1 ATOM 690 C CD2 . TYR A 0 87 . -13.930 2.411 6.543 1.00 97.93 87 A 1 ATOM 691 C CE1 . TYR A 0 87 . -14.359 0.300 8.357 1.00 97.93 87 A 1 ATOM 692 C CE2 . TYR A 0 87 . -13.590 2.573 7.898 1.00 97.93 87 A 1 ATOM 693 O OH . TYR A 0 87 . -13.421 1.649 10.102 1.00 97.93 87 A 1 ATOM 694 C CZ . TYR A 0 87 . -13.791 1.511 8.805 1.00 97.93 87 A 1 ATOM 695 N N . HIS A 0 88 . -14.439 -0.614 1.694 1.00 98.04 88 A 1 ATOM 696 C CA . HIS A 0 88 . -15.281 -0.648 0.493 1.00 98.04 88 A 1 ATOM 697 C C . HIS A 0 88 . -16.608 0.061 0.795 1.00 98.04 88 A 1 ATOM 698 C CB . HIS A 0 88 . -15.568 -2.083 0.032 1.00 98.04 88 A 1 ATOM 699 O O . HIS A 0 88 . -17.122 -0.043 1.913 1.00 98.04 88 A 1 ATOM 700 C CG . HIS A 0 88 . -14.342 -2.914 -0.220 1.00 98.04 88 A 1 ATOM 701 C CD2 . HIS A 0 88 . -13.561 -2.919 -1.348 1.00 98.04 88 A 1 ATOM 702 N ND1 . HIS A 0 88 . -13.818 -3.846 0.646 1.00 98.04 88 A 1 ATOM 703 C CE1 . HIS A 0 88 . -12.722 -4.368 0.074 1.00 98.04 88 A 1 ATOM 704 N NE2 . HIS A 0 88 . -12.530 -3.836 -1.131 1.00 98.04 88 A 1 ATOM 705 N N . LYS A 0 89 . -17.208 0.734 -0.193 1.00 95.76 89 A 1 ATOM 706 C CA . LYS A 0 89 . -18.499 1.420 0.002 1.00 95.76 89 A 1 ATOM 707 C C . LYS A 0 89 . -19.576 0.489 0.569 1.00 95.76 89 A 1 ATOM 708 C CB . LYS A 0 89 . -18.989 2.015 -1.321 1.00 95.76 89 A 1 ATOM 709 O O . LYS A 0 89 . -20.331 0.883 1.454 1.00 95.76 89 A 1 ATOM 710 C CG . LYS A 0 89 . -18.145 3.211 -1.774 1.00 95.76 89 A 1 ATOM 711 C CD . LYS A 0 89 . -18.776 3.809 -3.035 1.00 95.76 89 A 1 ATOM 712 C CE . LYS A 0 89 . -17.996 5.033 -3.507 1.00 95.76 89 A 1 ATOM 713 N NZ . LYS A 0 89 . -18.591 5.576 -4.753 1.00 95.76 89 A 1 ATOM 714 N N . ASN A 0 90 . -19.605 -0.759 0.106 1.00 95.95 90 A 1 ATOM 715 C CA . ASN A 0 90 . -20.535 -1.794 0.565 1.00 95.95 90 A 1 ATOM 716 C C . ASN A 0 90 . -20.130 -2.461 1.889 1.00 95.95 90 A 1 ATOM 717 C CB . ASN A 0 90 . -20.688 -2.834 -0.554 1.00 95.95 90 A 1 ATOM 718 O O . ASN A 0 90 . -20.898 -3.246 2.425 1.00 95.95 90 A 1 ATOM 719 C CG . ASN A 0 90 . -21.290 -2.217 -1.798 1.00 95.95 90 A 1 ATOM 720 N ND2 . ASN A 0 90 . -22.586 -2.310 -1.975 1.00 95.95 90 A 1 ATOM 721 O OD1 . ASN A 0 90 . -20.606 -1.589 -2.585 1.00 95.95 90 A 1 ATOM 722 N N . CYS A 0 91 . -18.943 -2.162 2.415 1.00 97.73 91 A 1 ATOM 723 C CA . CYS A 0 91 . -18.476 -2.631 3.719 1.00 97.73 91 A 1 ATOM 724 C C . CYS A 0 91 . -18.615 -1.570 4.819 1.00 97.73 91 A 1 ATOM 725 C CB . CYS A 0 91 . -17.013 -3.051 3.580 1.00 97.73 91 A 1 ATOM 726 O O . CYS A 0 91 . -18.462 -1.893 5.996 1.00 97.73 91 A 1 ATOM 727 S SG . CYS A 0 91 . -16.850 -4.590 2.630 1.00 97.73 91 A 1 ATOM 728 N N . PHE A 0 92 . -18.864 -0.314 4.443 1.00 97.31 92 A 1 ATOM 729 C CA . PHE A 0 92 . -19.172 0.773 5.364 1.00 97.31 92 A 1 ATOM 730 C C . PHE A 0 92 . -20.691 0.913 5.481 1.00 97.31 92 A 1 ATOM 731 C CB . PHE A 0 92 . -18.475 2.054 4.895 1.00 97.31 92 A 1 ATOM 732 O O . PHE A 0 92 . -21.320 1.689 4.759 1.00 97.31 92 A 1 ATOM 733 C CG . PHE A 0 92 . -18.453 3.117 5.969 1.00 97.31 92 A 1 ATOM 734 C CD1 . PHE A 0 92 . -19.245 4.273 5.850 1.00 97.31 92 A 1 ATOM 735 C CD2 . PHE A 0 92 . -17.655 2.929 7.113 1.00 97.31 92 A 1 ATOM 736 C CE1 . PHE A 0 92 . -19.255 5.229 6.882 1.00 97.31 92 A 1 ATOM 737 C CE2 . PHE A 0 92 . -17.658 3.889 8.136 1.00 97.31 92 A 1 ATOM 738 C CZ . PHE A 0 92 . -18.465 5.032 8.027 1.00 97.31 92 A 1 ATOM 739 N N . THR A 0 93 . -21.291 0.082 6.330 1.00 97.46 93 A 1 ATOM 740 C CA . THR A 0 93 . -22.743 -0.117 6.403 1.00 97.46 93 A 1 ATOM 741 C C . THR A 0 93 . -23.284 0.078 7.811 1.00 97.46 93 A 1 ATOM 742 C CB . THR A 0 93 . -23.139 -1.518 5.910 1.00 97.46 93 A 1 ATOM 743 O O . THR A 0 93 . -22.562 -0.112 8.787 1.00 97.46 93 A 1 ATOM 744 C CG2 . THR A 0 93 . -22.858 -1.714 4.423 1.00 97.46 93 A 1 ATOM 745 O OG1 . THR A 0 93 . -22.419 -2.510 6.604 1.00 97.46 93 A 1 ATOM 746 N N . CYS A 0 94 . -24.572 0.407 7.918 1.00 97.44 94 A 1 ATOM 747 C CA . CYS A 0 94 . -25.272 0.425 9.197 1.00 97.44 94 A 1 ATOM 748 C C . CYS A 0 94 . -25.268 -0.975 9.829 1.00 97.44 94 A 1 ATOM 749 C CB . CYS A 0 94 . -26.692 0.958 8.985 1.00 97.44 94 A 1 ATOM 750 O O . CYS A 0 94 . -25.646 -1.938 9.171 1.00 97.44 94 A 1 ATOM 751 S SG . CYS A 0 94 . -27.650 0.887 10.527 1.00 97.44 94 A 1 ATOM 752 N N . ALA A 0 95 . -24.892 -1.088 11.100 1.00 96.38 95 A 1 ATOM 753 C CA . ALA A 0 95 . -24.873 -2.353 11.829 1.00 96.38 95 A 1 ATOM 754 C C . ALA A 0 95 . -26.280 -2.946 12.053 1.00 96.38 95 A 1 ATOM 755 C CB . ALA A 0 95 . -24.133 -2.115 13.149 1.00 96.38 95 A 1 ATOM 756 O O . ALA A 0 95 . -26.403 -4.150 12.238 1.00 96.38 95 A 1 ATOM 757 N N . ALA A 0 96 . -27.337 -2.124 12.002 1.00 96.50 96 A 1 ATOM 758 C CA . ALA A 0 96 . -28.722 -2.575 12.141 1.00 96.50 96 A 1 ATOM 759 C C . ALA A 0 96 . -29.350 -3.003 10.801 1.00 96.50 96 A 1 ATOM 760 C CB . ALA A 0 96 . -29.529 -1.468 12.829 1.00 96.50 96 A 1 ATOM 761 O O . ALA A 0 96 . -29.861 -4.113 10.683 1.00 96.50 96 A 1 ATOM 762 N N . CYS A 0 97 . -29.309 -2.144 9.773 1.00 96.93 97 A 1 ATOM 763 C CA . CYS A 0 97 . -29.999 -2.400 8.499 1.00 96.93 97 A 1 ATOM 764 C C . CYS A 0 97 . -29.086 -2.775 7.326 1.00 96.93 97 A 1 ATOM 765 C CB . CYS A 0 97 . -30.894 -1.207 8.155 1.00 96.93 97 A 1 ATOM 766 O O . CYS A 0 97 . -29.579 -3.031 6.231 1.00 96.93 97 A 1 ATOM 767 S SG . CYS A 0 97 . -29.904 0.245 7.686 1.00 96.93 97 A 1 ATOM 768 N N . HIS A 0 98 . -27.764 -2.785 7.516 1.00 96.13 98 A 1 ATOM 769 C CA . HIS A 0 98 . -26.757 -3.092 6.490 1.00 96.13 98 A 1 ATOM 770 C C . HIS A 0 98 . -26.754 -2.161 5.264 1.00 96.13 98 A 1 ATOM 771 C CB . HIS A 0 98 . -26.807 -4.579 6.121 1.00 96.13 98 A 1 ATOM 772 O O . HIS A 0 98 . -26.034 -2.405 4.295 1.00 96.13 98 A 1 ATOM 773 C CG . HIS A 0 98 . -26.713 -5.480 7.324 1.00 96.13 98 A 1 ATOM 774 C CD2 . HIS A 0 98 . -25.563 -5.896 7.937 1.00 96.13 98 A 1 ATOM 775 N ND1 . HIS A 0 98 . -27.767 -5.997 8.043 1.00 96.13 98 A 1 ATOM 776 C CE1 . HIS A 0 98 . -27.262 -6.707 9.065 1.00 96.13 98 A 1 ATOM 777 N NE2 . HIS A 0 98 . -25.921 -6.689 9.028 1.00 96.13 98 A 1 ATOM 778 N N . GLN A 0 99 . -27.494 -1.049 5.295 1.00 96.06 99 A 1 ATOM 779 C CA . GLN A 0 99 . -27.436 -0.048 4.235 1.00 96.06 99 A 1 ATOM 780 C C . GLN A 0 99 . -26.042 0.587 4.185 1.00 96.06 99 A 1 ATOM 781 C CB . GLN A 0 99 . -28.512 1.020 4.460 1.00 96.06 99 A 1 ATOM 782 O O . GLN A 0 99 . -25.493 0.962 5.222 1.00 96.06 99 A 1 ATOM 783 C CG . GLN A 0 99 . -28.673 1.936 3.235 1.00 96.06 99 A 1 ATOM 784 C CD . GLN A 0 99 . -29.563 3.141 3.508 1.00 96.06 99 A 1 ATOM 785 N NE2 . GLN A 0 99 . -30.133 3.767 2.501 1.00 96.06 99 A 1 ATOM 786 O OE1 . GLN A 0 99 . -29.694 3.623 4.607 1.00 96.06 99 A 1 ATOM 787 N N . SER A 0 100 . -25.489 0.767 2.980 1.00 96.36 100 A 1 ATOM 788 C CA . SER A 0 100 . -24.256 1.540 2.797 1.00 96.36 100 A 1 ATOM 789 C C . SER A 0 100 . -24.438 2.975 3.296 1.00 96.36 100 A 1 ATOM 790 C CB . SER A 0 100 . -23.796 1.536 1.339 1.00 96.36 100 A 1 ATOM 791 O O . SER A 0 100 . -25.371 3.681 2.887 1.00 96.36 100 A 1 ATOM 792 O OG . SER A 0 100 . -22.611 2.296 1.206 1.00 96.36 100 A 1 ATOM 793 N N . LEU A 0 101 . -23.510 3.380 4.161 1.00 96.81 101 A 1 ATOM 794 C CA . LEU A 0 101 . -23.363 4.712 4.742 1.00 96.81 101 A 1 ATOM 795 C C . LEU A 0 101 . -22.368 5.571 3.945 1.00 96.81 101 A 1 ATOM 796 C CB . LEU A 0 101 . -22.919 4.559 6.208 1.00 96.81 101 A 1 ATOM 797 O O . LEU A 0 101 . -22.033 6.681 4.353 1.00 96.81 101 A 1 ATOM 798 C CG . LEU A 0 101 . -23.897 3.788 7.106 1.00 96.81 101 A 1 ATOM 799 C CD1 . LEU A 0 101 . -23.262 3.577 8.476 1.00 96.81 101 A 1 ATOM 800 C CD2 . LEU A 0 101 . -25.227 4.518 7.269 1.00 96.81 101 A 1 ATOM 801 N N . ALA A 0 102 . -21.872 5.066 2.811 1.00 94.91 102 A 1 ATOM 802 C CA . ALA A 0 102 . -20.938 5.793 1.966 1.00 94.91 102 A 1 ATOM 803 C C . ALA A 0 102 . -21.557 7.113 1.479 1.00 94.91 102 A 1 ATOM 804 C CB . ALA A 0 102 . -20.510 4.892 0.802 1.00 94.91 102 A 1 ATOM 805 O O . ALA A 0 102 . -22.599 7.111 0.823 1.00 94.91 102 A 1 ATOM 806 N N . GLY A 0 103 . -20.917 8.236 1.815 1.00 91.52 103 A 1 ATOM 807 C CA . GLY A 0 103 . -21.408 9.578 1.482 1.00 91.52 103 A 1 ATOM 808 C C . GLY A 0 103 . -22.691 9.999 2.212 1.00 91.52 103 A 1 ATOM 809 O O . GLY A 0 103 . -23.324 10.962 1.792 1.00 91.52 103 A 1 ATOM 810 N N . LYS A 0 104 . -23.094 9.293 3.276 1.00 93.79 104 A 1 ATOM 811 C CA . LYS A 0 104 . -24.285 9.608 4.081 1.00 93.79 104 A 1 ATOM 812 C C . LYS A 0 104 . -23.899 10.016 5.496 1.00 93.79 104 A 1 ATOM 813 C CB . LYS A 0 104 . -25.240 8.409 4.113 1.00 93.79 104 A 1 ATOM 814 O O . LYS A 0 104 . -22.793 9.740 5.954 1.00 93.79 104 A 1 ATOM 815 C CG . LYS A 0 104 . -25.760 8.047 2.717 1.00 93.79 104 A 1 ATOM 816 C CD . LYS A 0 104 . -26.714 6.862 2.834 1.00 93.79 104 A 1 ATOM 817 C CE . LYS A 0 104 . -27.107 6.377 1.443 1.00 93.79 104 A 1 ATOM 818 N NZ . LYS A 0 104 . -27.655 5.011 1.536 1.00 93.79 104 A 1 ATOM 819 N N . GLN A 0 105 . -24.836 10.642 6.202 1.00 94.84 105 A 1 ATOM 820 C CA . GLN A 0 105 . -24.717 10.835 7.644 1.00 94.84 105 A 1 ATOM 821 C C . GLN A 0 105 . -24.832 9.492 8.371 1.00 94.84 105 A 1 ATOM 822 C CB . GLN A 0 105 . -25.781 11.818 8.145 1.00 94.84 105 A 1 ATOM 823 O O . GLN A 0 105 . -25.589 8.608 7.963 1.00 94.84 105 A 1 ATOM 824 C CG . GLN A 0 105 . -25.529 13.241 7.627 1.00 94.84 105 A 1 ATOM 825 C CD . GLN A 0 105 . -26.597 14.203 8.128 1.00 94.84 105 A 1 ATOM 826 N NE2 . GLN A 0 105 . -26.240 15.238 8.854 1.00 94.84 105 A 1 ATOM 827 O OE1 . GLN A 0 105 . -27.775 14.034 7.877 1.00 94.84 105 A 1 ATOM 828 N N . PHE A 0 106 . -24.080 9.357 9.456 1.00 96.26 106 A 1 ATOM 829 C CA . PHE A 0 106 . -24.094 8.191 10.325 1.00 96.26 106 A 1 ATOM 830 C C . PHE A 0 106 . -23.714 8.592 11.750 1.00 96.26 106 A 1 ATOM 831 C CB . PHE A 0 106 . -23.141 7.115 9.778 1.00 96.26 106 A 1 ATOM 832 O O . PHE A 0 106 . -23.108 9.641 11.974 1.00 96.26 106 A 1 ATOM 833 C CG . PHE A 0 106 . -21.676 7.507 9.734 1.00 96.26 106 A 1 ATOM 834 C CD1 . PHE A 0 106 . -21.157 8.167 8.605 1.00 96.26 106 A 1 ATOM 835 C CD2 . PHE A 0 106 . -20.833 7.224 10.825 1.00 96.26 106 A 1 ATOM 836 C CE1 . PHE A 0 106 . -19.811 8.568 8.575 1.00 96.26 106 A 1 ATOM 837 C CE2 . PHE A 0 106 . -19.483 7.619 10.793 1.00 96.26 106 A 1 ATOM 838 C CZ . PHE A 0 106 . -18.976 8.298 9.672 1.00 96.26 106 A 1 ATOM 839 N N . CYS A 0 107 . -24.042 7.729 12.703 1.00 96.17 107 A 1 ATOM 840 C CA . CYS A 0 107 . -23.639 7.840 14.097 1.00 96.17 107 A 1 ATOM 841 C C . CYS A 0 107 . -22.800 6.626 14.498 1.00 96.17 107 A 1 ATOM 842 C CB . CYS A 0 107 . -24.882 8.007 14.976 1.00 96.17 107 A 1 ATOM 843 O O . CYS A 0 107 . -22.873 5.567 13.871 1.00 96.17 107 A 1 ATOM 844 S SG . CYS A 0 107 . -25.775 9.515 14.490 1.00 96.17 107 A 1 ATOM 845 N N . ILE A 0 108 . -21.991 6.789 15.542 1.00 94.60 108 A 1 ATOM 846 C CA . ILE A 0 108 . -21.170 5.716 16.104 1.00 94.60 108 A 1 ATOM 847 C C . ILE A 0 108 . -21.740 5.359 17.464 1.00 94.60 108 A 1 ATOM 848 C CB . ILE A 0 108 . -19.685 6.111 16.180 1.00 94.60 108 A 1 ATOM 849 O O . ILE A 0 108 . -21.842 6.218 18.336 1.00 94.60 108 A 1 ATOM 850 C CG1 . ILE A 0 108 . -19.194 6.409 14.753 1.00 94.60 108 A 1 ATOM 851 C CG2 . ILE A 0 108 . -18.857 4.976 16.818 1.00 94.60 108 A 1 ATOM 852 C CD1 . ILE A 0 108 . -17.781 6.960 14.704 1.00 94.60 108 A 1 ATOM 853 N N . LYS A 0 109 . -22.102 4.091 17.631 1.00 93.00 109 A 1 ATOM 854 C CA . LYS A 0 109 . -22.667 3.536 18.862 1.00 93.00 109 A 1 ATOM 855 C C . LYS A 0 109 . -22.133 2.118 19.027 1.00 93.00 109 A 1 ATOM 856 C CB . LYS A 0 109 . -24.197 3.572 18.743 1.00 93.00 109 A 1 ATOM 857 O O . LYS A 0 109 . -21.959 1.438 18.027 1.00 93.00 109 A 1 ATOM 858 C CG . LYS A 0 109 . -24.900 3.326 20.081 1.00 93.00 109 A 1 ATOM 859 C CD . LYS A 0 109 . -26.398 3.148 19.827 1.00 93.00 109 A 1 ATOM 860 C CE . LYS A 0 109 . -27.171 2.838 21.106 1.00 93.00 109 A 1 ATOM 861 N NZ . LYS A 0 109 . -28.620 2.796 20.790 1.00 93.00 109 A 1 ATOM 862 N N . ASP A 0 110 . -21.799 1.682 20.238 1.00 88.36 110 A 1 ATOM 863 C CA . ASP A 0 110 . -21.350 0.300 20.507 1.00 88.36 110 A 1 ATOM 864 C C . ASP A 0 110 . -20.254 -0.224 19.543 1.00 88.36 110 A 1 ATOM 865 C CB . ASP A 0 110 . -22.576 -0.628 20.604 1.00 88.36 110 A 1 ATOM 866 O O . ASP A 0 110 . -20.283 -1.370 19.101 1.00 88.36 110 A 1 ATOM 867 C CG . ASP A 0 110 . -23.563 -0.139 21.666 1.00 88.36 110 A 1 ATOM 868 O OD1 . ASP A 0 110 . -23.112 0.033 22.819 1.00 88.36 110 A 1 ATOM 869 O OD2 . ASP A 0 110 . -24.729 0.142 21.304 1.00 88.36 110 A 1 ATOM 870 N N . ASN A 0 111 . -19.292 0.636 19.167 1.00 87.33 111 A 1 ATOM 871 C CA . ASN A 0 111 . -18.221 0.345 18.193 1.00 87.33 111 A 1 ATOM 872 C C . ASN A 0 111 . -18.706 -0.040 16.770 1.00 87.33 111 A 1 ATOM 873 C CB . ASN A 0 111 . -17.246 -0.664 18.831 1.00 87.33 111 A 1 ATOM 874 O O . ASN A 0 111 . -17.942 -0.576 15.967 1.00 87.33 111 A 1 ATOM 875 C CG . ASN A 0 111 . -15.931 -0.795 18.087 1.00 87.33 111 A 1 ATOM 876 N ND2 . ASN A 0 111 . -15.556 -1.996 17.714 1.00 87.33 111 A 1 ATOM 877 O OD1 . ASN A 0 111 . -15.208 0.163 17.860 1.00 87.33 111 A 1 ATOM 878 N N . GLY A 0 112 . -19.963 0.258 16.440 1.00 92.30 112 A 1 ATOM 879 C CA . GLY A 0 112 . -20.561 0.105 15.117 1.00 92.30 112 A 1 ATOM 880 C C . GLY A 0 112 . -20.982 1.442 14.502 1.00 92.30 112 A 1 ATOM 881 O O . GLY A 0 112 . -21.101 2.462 15.184 1.00 92.30 112 A 1 ATOM 882 N N . TYR A 0 113 . -21.223 1.423 13.192 1.00 95.88 113 A 1 ATOM 883 C CA . TYR A 0 113 . -21.763 2.553 12.435 1.00 95.88 113 A 1 ATOM 884 C C . TYR A 0 113 . -23.270 2.372 12.251 1.00 95.88 113 A 1 ATOM 885 C CB . TYR A 0 113 . -21.043 2.664 11.082 1.00 95.88 113 A 1 ATOM 886 O O . TYR A 0 113 . -23.709 1.283 11.894 1.00 95.88 113 A 1 ATOM 887 C CG . TYR A 0 113 . -19.535 2.762 11.197 1.00 95.88 113 A 1 ATOM 888 C CD1 . TYR A 0 113 . -18.967 3.933 11.728 1.00 95.88 113 A 1 ATOM 889 C CD2 . TYR A 0 113 . -18.708 1.683 10.823 1.00 95.88 113 A 1 ATOM 890 C CE1 . TYR A 0 113 . -17.579 4.021 11.925 1.00 95.88 113 A 1 ATOM 891 C CE2 . TYR A 0 113 . -17.313 1.770 11.005 1.00 95.88 113 A 1 ATOM 892 O OH . TYR A 0 113 . -15.417 3.024 11.801 1.00 95.88 113 A 1 ATOM 893 C CZ . TYR A 0 113 . -16.752 2.933 11.576 1.00 95.88 113 A 1 ATOM 894 N N . TYR A 0 114 . -24.069 3.416 12.459 1.00 97.63 114 A 1 ATOM 895 C CA . TYR A 0 114 . -25.531 3.367 12.358 1.00 97.63 114 A 1 ATOM 896 C C . TYR A 0 114 . -26.049 4.504 11.480 1.00 97.63 114 A 1 ATOM 897 C CB . TYR A 0 114 . -26.170 3.388 13.755 1.00 97.63 114 A 1 ATOM 898 O O . TYR A 0 114 . -25.522 5.613 11.532 1.00 97.63 114 A 1 ATOM 899 C CG . TYR A 0 114 . -25.872 2.147 14.576 1.00 97.63 114 A 1 ATOM 900 C CD1 . TYR A 0 114 . -26.815 1.102 14.662 1.00 97.63 114 A 1 ATOM 901 C CD2 . TYR A 0 114 . -24.636 2.025 15.238 1.00 97.63 114 A 1 ATOM 902 C CE1 . TYR A 0 114 . -26.534 -0.049 15.425 1.00 97.63 114 A 1 ATOM 903 C CE2 . TYR A 0 114 . -24.346 0.859 15.967 1.00 97.63 114 A 1 ATOM 904 O OH . TYR A 0 114 . -25.021 -1.263 16.842 1.00 97.63 114 A 1 ATOM 905 C CZ . TYR A 0 114 . -25.300 -0.164 16.095 1.00 97.63 114 A 1 ATOM 906 N N . CYS A 0 115 . -27.071 4.246 10.660 1.00 97.20 115 A 1 ATOM 907 C CA . CYS A 0 115 . -27.792 5.335 9.999 1.00 97.20 115 A 1 ATOM 908 C C . CYS A 0 115 . -28.659 6.082 11.029 1.00 97.20 115 A 1 ATOM 909 C CB . CYS A 0 115 . -28.608 4.801 8.810 1.00 97.20 115 A 1 ATOM 910 O O . CYS A 0 115 . -28.986 5.497 12.062 1.00 97.20 115 A 1 ATOM 911 S SG . CYS A 0 115 . -29.878 3.639 9.351 1.00 97.20 115 A 1 ATOM 912 N N . PRO A 0 116 . -29.075 7.332 10.750 1.00 96.29 116 A 1 ATOM 913 C CA . PRO A 0 116 . -29.848 8.143 11.697 1.00 96.29 116 A 1 ATOM 914 C C . PRO A 0 116 . -31.139 7.478 12.204 1.00 96.29 116 A 1 ATOM 915 C CB . PRO A 0 116 . -30.156 9.443 10.946 1.00 96.29 116 A 1 ATOM 916 O O . PRO A 0 116 . -31.578 7.764 13.308 1.00 96.29 116 A 1 ATOM 917 C CG . PRO A 0 116 . -28.996 9.569 9.962 1.00 96.29 116 A 1 ATOM 918 C CD . PRO A 0 116 . -28.735 8.119 9.571 1.00 96.29 116 A 1 ATOM 919 N N . GLU A 0 117 . -31.721 6.572 11.415 1.00 96.02 117 A 1 ATOM 920 C CA . GLU A 0 117 . -32.951 5.838 11.749 1.00 96.02 117 A 1 ATOM 921 C C . GLU A 0 117 . -32.757 4.691 12.762 1.00 96.02 117 A 1 ATOM 922 C CB . GLU A 0 117 . -33.568 5.289 10.450 1.00 96.02 117 A 1 ATOM 923 O O . GLU A 0 117 . -33.741 4.148 13.252 1.00 96.02 117 A 1 ATOM 924 C CG . GLU A 0 117 . -33.934 6.396 9.450 1.00 96.02 117 A 1 ATOM 925 C CD . GLU A 0 117 . -34.541 5.811 8.171 1.00 96.02 117 A 1 ATOM 926 O OE1 . GLU A 0 117 . -35.760 5.991 7.962 1.00 96.02 117 A 1 ATOM 927 O OE2 . GLU A 0 117 . -33.756 5.214 7.394 1.00 96.02 117 A 1 ATOM 928 N N . HIS A 0 118 . -31.515 4.302 13.078 1.00 95.12 118 A 1 ATOM 929 C CA . HIS A 0 118 . -31.207 3.159 13.956 1.00 95.12 118 A 1 ATOM 930 C C . HIS A 0 118 . -30.247 3.510 15.106 1.00 95.12 118 A 1 ATOM 931 C CB . HIS A 0 118 . -30.676 1.979 13.124 1.00 95.12 118 A 1 ATOM 932 O O . HIS A 0 118 . -29.494 2.648 15.562 1.00 95.12 118 A 1 ATOM 933 C CG . HIS A 0 118 . -31.643 1.433 12.109 1.00 95.12 118 A 1 ATOM 934 C CD2 . HIS A 0 118 . -32.842 0.821 12.355 1.00 95.12 118 A 1 ATOM 935 N ND1 . HIS A 0 118 . -31.483 1.464 10.747 1.00 95.12 118 A 1 ATOM 936 C CE1 . HIS A 0 118 . -32.583 0.948 10.184 1.00 95.12 118 A 1 ATOM 937 N NE2 . HIS A 0 118 . -33.414 0.485 11.123 1.00 95.12 118 A 1 ATOM 938 N N . VAL A 0 119 . -30.226 4.772 15.541 1.00 85.68 119 A 1 ATOM 939 C CA . VAL A 0 119 . -29.397 5.241 16.669 1.00 85.68 119 A 1 ATOM 940 C C . VAL A 0 119 . -30.136 5.090 17.990 1.00 85.68 119 A 1 ATOM 941 C CB . VAL A 0 119 . -28.917 6.679 16.449 1.00 85.68 119 A 1 ATOM 942 O O . VAL A 0 119 . -31.325 5.459 18.040 1.00 85.68 119 A 1 ATOM 943 C CG1 . VAL A 0 119 . -27.928 7.107 17.540 1.00 85.68 119 A 1 ATOM 944 C CG2 . VAL A 0 119 . -28.207 6.785 15.098 1.00 85.68 119 A 1 ATOM 945 O OXT . VAL A 0 119 . -29.479 4.591 18.938 1.00 85.68 119 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 94.38 # loop_ _atom_type.symbol C N O S #