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 LYS 0 3 MET 0 4 SER 0 5 LYS 0 6 ILE 0 7 PRO 0 8 PHE 0 9 LYS 0 10 ASN 0 11 ASP 0 12 GLY 0 13 SER 0 14 PHE 0 15 MET 0 16 GLU 0 17 LEU 0 18 PHE 0 19 LYS 0 20 GLN 0 21 MET 0 22 GLN 0 23 ALA 0 24 GLU 0 25 GLN 0 26 GLU 0 27 ARG 0 28 VAL 0 29 SER 0 30 ILE 0 31 GLU 0 32 LYS 0 33 PRO 0 34 VAL 0 35 ILE 0 36 PRO 0 37 ASN 0 38 VAL 0 39 VAL 0 40 LYS 0 41 VAL 0 42 GLU 0 43 ASN 0 44 THR 0 45 ASP 0 46 GLU 0 47 PHE 0 48 GLU 0 49 SER 0 50 LYS 0 51 GLN 0 52 CYS 0 53 LYS 0 54 THR 0 55 GLU 0 56 SER 0 57 GLU 0 58 THR 0 59 VAL 0 60 PRO 0 61 TYR 0 62 PHE 0 63 GLN 0 64 LEU 0 65 PHE 0 66 PRO 0 67 MET 0 68 ILE 0 69 PRO 0 70 ARG 0 71 PHE 0 72 TRP 0 73 TRP 0 74 GLN 0 75 SER 0 76 ASN 0 77 ARG 0 78 TRP 0 79 SER 0 80 TYR 0 81 VAL 0 82 PHE 0 83 LEU 0 84 VAL 0 85 CYS 0 86 PRO 0 87 THR 0 88 VAL 0 89 SER 0 90 ALA 0 91 LYS 0 92 GLN 0 93 LYS 0 94 GLN 0 95 ARG 0 96 SER 0 97 LEU 0 98 ARG 0 99 ILE 0 100 ALA 0 101 TYR 0 102 SER 0 103 ILE 0 104 GLY 0 105 SER # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 0 1 . 13.512 14.167 -23.614 1.00 54.33 1 A 1 ATOM 2 C CA . MET A 0 1 . 12.509 13.174 -23.171 1.00 54.33 1 A 1 ATOM 3 C C . MET A 0 1 . 11.185 13.895 -22.943 1.00 54.33 1 A 1 ATOM 4 C CB . MET A 0 1 . 12.987 12.486 -21.881 1.00 54.33 1 A 1 ATOM 5 O O . MET A 0 1 . 11.131 14.752 -22.072 1.00 54.33 1 A 1 ATOM 6 C CG . MET A 0 1 . 14.141 11.511 -22.145 1.00 54.33 1 A 1 ATOM 7 S SD . MET A 0 1 . 14.939 10.947 -20.625 1.00 54.33 1 A 1 ATOM 8 C CE . MET A 0 1 . 15.681 9.392 -21.193 1.00 54.33 1 A 1 ATOM 9 N N . LYS A 0 2 . 10.153 13.648 -23.762 1.00 69.64 2 A 1 ATOM 10 C CA . LYS A 0 2 . 8.812 14.218 -23.538 1.00 69.64 2 A 1 ATOM 11 C C . LYS A 0 2 . 8.090 13.319 -22.535 1.00 69.64 2 A 1 ATOM 12 C CB . LYS A 0 2 . 8.021 14.338 -24.860 1.00 69.64 2 A 1 ATOM 13 O O . LYS A 0 2 . 7.681 12.223 -22.894 1.00 69.64 2 A 1 ATOM 14 C CG . LYS A 0 2 . 8.484 15.509 -25.745 1.00 69.64 2 A 1 ATOM 15 C CD . LYS A 0 2 . 7.715 15.549 -27.079 1.00 69.64 2 A 1 ATOM 16 C CE . LYS A 0 2 . 8.182 16.728 -27.949 1.00 69.64 2 A 1 ATOM 17 N NZ . LYS A 0 2 . 7.651 16.650 -29.337 1.00 69.64 2 A 1 ATOM 18 N N . MET A 0 3 . 7.990 13.758 -21.283 1.00 72.37 3 A 1 ATOM 19 C CA . MET A 0 3 . 7.197 13.063 -20.270 1.00 72.37 3 A 1 ATOM 20 C C . MET A 0 3 . 5.722 13.242 -20.633 1.00 72.37 3 A 1 ATOM 21 C CB . MET A 0 3 . 7.513 13.613 -18.867 1.00 72.37 3 A 1 ATOM 22 O O . MET A 0 3 . 5.199 14.356 -20.583 1.00 72.37 3 A 1 ATOM 23 C CG . MET A 0 3 . 8.966 13.351 -18.445 1.00 72.37 3 A 1 ATOM 24 S SD . MET A 0 3 . 9.376 11.615 -18.123 1.00 72.37 3 A 1 ATOM 25 C CE . MET A 0 3 . 8.846 11.479 -16.392 1.00 72.37 3 A 1 ATOM 26 N N . SER A 0 4 . 5.068 12.161 -21.053 1.00 74.84 4 A 1 ATOM 27 C CA . SER A 0 4 . 3.622 12.112 -21.257 1.00 74.84 4 A 1 ATOM 28 C C . SER A 0 4 . 2.940 12.463 -19.938 1.00 74.84 4 A 1 ATOM 29 C CB . SER A 0 4 . 3.214 10.714 -21.741 1.00 74.84 4 A 1 ATOM 30 O O . SER A 0 4 . 2.977 11.689 -18.981 1.00 74.84 4 A 1 ATOM 31 O OG . SER A 0 4 . 3.814 9.726 -20.927 1.00 74.84 4 A 1 ATOM 32 N N . LYS A 0 5 . 2.380 13.671 -19.867 1.00 77.84 5 A 1 ATOM 33 C CA . LYS A 0 5 . 1.653 14.166 -18.702 1.00 77.84 5 A 1 ATOM 34 C C . LYS A 0 5 . 0.422 13.285 -18.520 1.00 77.84 5 A 1 ATOM 35 C CB . LYS A 0 5 . 1.324 15.650 -18.930 1.00 77.84 5 A 1 ATOM 36 O O . LYS A 0 5 . -0.496 13.336 -19.332 1.00 77.84 5 A 1 ATOM 37 C CG . LYS A 0 5 . 0.826 16.366 -17.666 1.00 77.84 5 A 1 ATOM 38 C CD . LYS A 0 5 . 0.728 17.876 -17.936 1.00 77.84 5 A 1 ATOM 39 C CE . LYS A 0 5 . 0.385 18.643 -16.654 1.00 77.84 5 A 1 ATOM 40 N NZ . LYS A 0 5 . 0.381 20.112 -16.885 1.00 77.84 5 A 1 ATOM 41 N N . ILE A 0 6 . 0.442 12.444 -17.492 1.00 77.50 6 A 1 ATOM 42 C CA . ILE A 0 6 . -0.702 11.616 -17.119 1.00 77.50 6 A 1 ATOM 43 C C . ILE A 0 6 . -1.875 12.579 -16.843 1.00 77.50 6 A 1 ATOM 44 C CB . ILE A 0 6 . -0.339 10.726 -15.907 1.00 77.50 6 A 1 ATOM 45 O O . ILE A 0 6 . -1.695 13.531 -16.080 1.00 77.50 6 A 1 ATOM 46 C CG1 . ILE A 0 6 . 0.865 9.807 -16.236 1.00 77.50 6 A 1 ATOM 47 C CG2 . ILE A 0 6 . -1.544 9.877 -15.487 1.00 77.50 6 A 1 ATOM 48 C CD1 . ILE A 0 6 . 1.394 9.014 -15.034 1.00 77.50 6 A 1 ATOM 49 N N . PRO A 0 7 . -3.048 12.397 -17.479 1.00 74.34 7 A 1 ATOM 50 C CA . PRO A 0 7 . -4.175 13.328 -17.355 1.00 74.34 7 A 1 ATOM 51 C C . PRO A 0 7 . -4.855 13.264 -15.980 1.00 74.34 7 A 1 ATOM 52 C CB . PRO A 0 7 . -5.130 12.954 -18.491 1.00 74.34 7 A 1 ATOM 53 O O . PRO A 0 7 . -5.678 14.116 -15.659 1.00 74.34 7 A 1 ATOM 54 C CG . PRO A 0 7 . -4.870 11.462 -18.690 1.00 74.34 7 A 1 ATOM 55 C CD . PRO A 0 7 . -3.373 11.335 -18.420 1.00 74.34 7 A 1 ATOM 56 N N . PHE A 0 8 . -4.484 12.290 -15.152 1.00 71.50 8 A 1 ATOM 57 C CA . PHE A 0 8 . -4.913 12.194 -13.767 1.00 71.50 8 A 1 ATOM 58 C C . PHE A 0 8 . -4.113 13.181 -12.918 1.00 71.50 8 A 1 ATOM 59 C CB . PHE A 0 8 . -4.795 10.740 -13.293 1.00 71.50 8 A 1 ATOM 60 O O . PHE A 0 8 . -2.950 12.953 -12.575 1.00 71.50 8 A 1 ATOM 61 C CG . PHE A 0 8 . -5.590 9.787 -14.167 1.00 71.50 8 A 1 ATOM 62 C CD1 . PHE A 0 8 . -6.995 9.826 -14.141 1.00 71.50 8 A 1 ATOM 63 C CD2 . PHE A 0 8 . -4.937 8.898 -15.043 1.00 71.50 8 A 1 ATOM 64 C CE1 . PHE A 0 8 . -7.740 8.995 -14.995 1.00 71.50 8 A 1 ATOM 65 C CE2 . PHE A 0 8 . -5.680 8.080 -15.911 1.00 71.50 8 A 1 ATOM 66 C CZ . PHE A 0 8 . -7.083 8.129 -15.886 1.00 71.50 8 A 1 ATOM 67 N N . LYS A 0 9 . -4.745 14.309 -12.591 1.00 73.59 9 A 1 ATOM 68 C CA . LYS A 0 9 . -4.285 15.151 -11.489 1.00 73.59 9 A 1 ATOM 69 C C . LYS A 0 9 . -4.572 14.380 -10.202 1.00 73.59 9 A 1 ATOM 70 C CB . LYS A 0 9 . -5.007 16.506 -11.512 1.00 73.59 9 A 1 ATOM 71 O O . LYS A 0 9 . -5.689 13.925 -10.007 1.00 73.59 9 A 1 ATOM 72 C CG . LYS A 0 9 . -4.635 17.347 -12.746 1.00 73.59 9 A 1 ATOM 73 C CD . LYS A 0 9 . -5.440 18.651 -12.746 1.00 73.59 9 A 1 ATOM 74 C CE . LYS A 0 9 . -5.161 19.488 -13.998 1.00 73.59 9 A 1 ATOM 75 N NZ . LYS A 0 9 . -6.051 20.677 -14.031 1.00 73.59 9 A 1 ATOM 76 N N . ASN A 0 10 . -3.569 14.217 -9.343 1.00 79.97 10 A 1 ATOM 77 C CA . ASN A 0 10 . -3.792 13.752 -7.976 1.00 79.97 10 A 1 ATOM 78 C C . ASN A 0 10 . -4.369 14.924 -7.167 1.00 79.97 10 A 1 ATOM 79 C CB . ASN A 0 10 . -2.482 13.183 -7.405 1.00 79.97 10 A 1 ATOM 80 O O . ASN A 0 10 . -3.652 15.592 -6.428 1.00 79.97 10 A 1 ATOM 81 C CG . ASN A 0 10 . -2.670 12.592 -6.017 1.00 79.97 10 A 1 ATOM 82 N ND2 . ASN A 0 10 . -1.594 12.282 -5.333 1.00 79.97 10 A 1 ATOM 83 O OD1 . ASN A 0 10 . -3.765 12.363 -5.539 1.00 79.97 10 A 1 ATOM 84 N N . ASP A 0 11 . -5.635 15.239 -7.422 1.00 81.48 11 A 1 ATOM 85 C CA . ASP A 0 11 . -6.407 16.311 -6.789 1.00 81.48 11 A 1 ATOM 86 C C . ASP A 0 11 . -7.007 15.891 -5.440 1.00 81.48 11 A 1 ATOM 87 C CB . ASP A 0 11 . -7.487 16.791 -7.775 1.00 81.48 11 A 1 ATOM 88 O O . ASP A 0 11 . -7.640 16.693 -4.765 1.00 81.48 11 A 1 ATOM 89 C CG . ASP A 0 11 . -8.472 15.703 -8.228 1.00 81.48 11 A 1 ATOM 90 O OD1 . ASP A 0 11 . -8.319 14.533 -7.797 1.00 81.48 11 A 1 ATOM 91 O OD2 . ASP A 0 11 . -9.334 16.050 -9.061 1.00 81.48 11 A 1 ATOM 92 N N . GLY A 0 12 . -6.780 14.643 -5.025 1.00 87.74 12 A 1 ATOM 93 C CA . GLY A 0 12 . -7.326 14.098 -3.790 1.00 87.74 12 A 1 ATOM 94 C C . GLY A 0 12 . -8.794 13.682 -3.890 1.00 87.74 12 A 1 ATOM 95 O O . GLY A 0 12 . -9.303 13.150 -2.906 1.00 87.74 12 A 1 ATOM 96 N N . SER A 0 13 . -9.448 13.809 -5.053 1.00 84.87 13 A 1 ATOM 97 C CA . SER A 0 13 . -10.866 13.452 -5.221 1.00 84.87 13 A 1 ATOM 98 C C . SER A 0 13 . -11.146 11.991 -4.835 1.00 84.87 13 A 1 ATOM 99 C CB . SER A 0 13 . -11.286 13.716 -6.672 1.00 84.87 13 A 1 ATOM 100 O O . SER A 0 13 . -12.123 11.692 -4.150 1.00 84.87 13 A 1 ATOM 101 O OG . SER A 0 13 . -12.629 13.324 -6.869 1.00 84.87 13 A 1 ATOM 102 N N . PHE A 0 14 . -10.229 11.071 -5.160 1.00 87.28 14 A 1 ATOM 103 C CA . PHE A 0 14 . -10.352 9.669 -4.742 1.00 87.28 14 A 1 ATOM 104 C C . PHE A 0 14 . -10.304 9.497 -3.213 1.00 87.28 14 A 1 ATOM 105 C CB . PHE A 0 14 . -9.258 8.834 -5.426 1.00 87.28 14 A 1 ATOM 106 O O . PHE A 0 14 . -11.018 8.667 -2.651 1.00 87.28 14 A 1 ATOM 107 C CG . PHE A 0 14 . -9.265 7.352 -5.076 1.00 87.28 14 A 1 ATOM 108 C CD1 . PHE A 0 14 . -8.050 6.664 -4.889 1.00 87.28 14 A 1 ATOM 109 C CD2 . PHE A 0 14 . -10.481 6.653 -4.935 1.00 87.28 14 A 1 ATOM 110 C CE1 . PHE A 0 14 . -8.053 5.297 -4.553 1.00 87.28 14 A 1 ATOM 111 C CE2 . PHE A 0 14 . -10.485 5.294 -4.583 1.00 87.28 14 A 1 ATOM 112 C CZ . PHE A 0 14 . -9.271 4.614 -4.393 1.00 87.28 14 A 1 ATOM 113 N N . MET A 0 15 . -9.492 10.302 -2.525 1.00 88.90 15 A 1 ATOM 114 C CA . MET A 0 15 . -9.380 10.265 -1.067 1.00 88.90 15 A 1 ATOM 115 C C . MET A 0 15 . -10.629 10.841 -0.390 1.00 88.90 15 A 1 ATOM 116 C CB . MET A 0 15 . -8.117 11.031 -0.645 1.00 88.90 15 A 1 ATOM 117 O O . MET A 0 15 . -11.019 10.362 0.671 1.00 88.90 15 A 1 ATOM 118 C CG . MET A 0 15 . -7.742 10.794 0.821 1.00 88.90 15 A 1 ATOM 119 S SD . MET A 0 15 . -7.317 9.090 1.280 1.00 88.90 15 A 1 ATOM 120 C CE . MET A 0 15 . -5.875 8.791 0.220 1.00 88.90 15 A 1 ATOM 121 N N . GLU A 0 16 . -11.264 11.850 -0.989 1.00 91.89 16 A 1 ATOM 122 C CA . GLU A 0 16 . -12.531 12.407 -0.501 1.00 91.89 16 A 1 ATOM 123 C C . GLU A 0 16 . -13.665 11.388 -0.601 1.00 91.89 16 A 1 ATOM 124 C CB . GLU A 0 16 . -12.888 13.687 -1.265 1.00 91.89 16 A 1 ATOM 125 O O . GLU A 0 16 . -14.339 11.141 0.399 1.00 91.89 16 A 1 ATOM 126 C CG . GLU A 0 16 . -11.922 14.828 -0.919 1.00 91.89 16 A 1 ATOM 127 C CD . GLU A 0 16 . -12.284 16.153 -1.605 1.00 91.89 16 A 1 ATOM 128 O OE1 . GLU A 0 16 . -11.736 17.179 -1.141 1.00 91.89 16 A 1 ATOM 129 O OE2 . GLU A 0 16 . -13.070 16.130 -2.578 1.00 91.89 16 A 1 ATOM 130 N N . LEU A 0 17 . -13.803 10.714 -1.751 1.00 88.78 17 A 1 ATOM 131 C CA . LEU A 0 17 . -14.772 9.625 -1.916 1.00 88.78 17 A 1 ATOM 132 C C . LEU A 0 17 . -14.527 8.492 -0.914 1.00 88.78 17 A 1 ATOM 133 C CB . LEU A 0 17 . -14.727 9.077 -3.356 1.00 88.78 17 A 1 ATOM 134 O O . LEU A 0 17 . -15.470 7.997 -0.301 1.00 88.78 17 A 1 ATOM 135 C CG . LEU A 0 17 . -15.870 9.602 -4.241 1.00 88.78 17 A 1 ATOM 136 C CD1 . LEU A 0 17 . -15.724 11.091 -4.551 1.00 88.78 17 A 1 ATOM 137 C CD2 . LEU A 0 17 . -15.889 8.826 -5.559 1.00 88.78 17 A 1 ATOM 138 N N . PHE A 0 18 . -13.267 8.098 -0.710 1.00 90.64 18 A 1 ATOM 139 C CA . PHE A 0 18 . -12.927 7.046 0.248 1.00 90.64 18 A 1 ATOM 140 C C . PHE A 0 18 . -13.297 7.434 1.687 1.00 90.64 18 A 1 ATOM 141 C CB . PHE A 0 18 . -11.438 6.710 0.127 1.00 90.64 18 A 1 ATOM 142 O O . PHE A 0 18 . -13.905 6.639 2.404 1.00 90.64 18 A 1 ATOM 143 C CG . PHE A 0 18 . -11.022 5.566 1.029 1.00 90.64 18 A 1 ATOM 144 C CD1 . PHE A 0 18 . -10.392 5.824 2.261 1.00 90.64 18 A 1 ATOM 145 C CD2 . PHE A 0 18 . -11.315 4.241 0.657 1.00 90.64 18 A 1 ATOM 146 C CE1 . PHE A 0 18 . -10.046 4.759 3.109 1.00 90.64 18 A 1 ATOM 147 C CE2 . PHE A 0 18 . -10.974 3.177 1.509 1.00 90.64 18 A 1 ATOM 148 C CZ . PHE A 0 18 . -10.339 3.436 2.736 1.00 90.64 18 A 1 ATOM 149 N N . LYS A 0 19 . -12.993 8.671 2.100 1.00 92.04 19 A 1 ATOM 150 C CA . LYS A 0 19 . -13.379 9.198 3.418 1.00 92.04 19 A 1 ATOM 151 C C . LYS A 0 19 . -14.892 9.249 3.589 1.00 92.04 19 A 1 ATOM 152 C CB . LYS A 0 19 . -12.810 10.606 3.605 1.00 92.04 19 A 1 ATOM 153 O O . LYS A 0 19 . -15.386 8.901 4.657 1.00 92.04 19 A 1 ATOM 154 C CG . LYS A 0 19 . -11.306 10.600 3.890 1.00 92.04 19 A 1 ATOM 155 C CD . LYS A 0 19 . -10.805 12.044 3.835 1.00 92.04 19 A 1 ATOM 156 C CE . LYS A 0 19 . -9.308 12.108 4.125 1.00 92.04 19 A 1 ATOM 157 N NZ . LYS A 0 19 . -8.834 13.510 4.039 1.00 92.04 19 A 1 ATOM 158 N N . GLN A 0 20 . -15.620 9.657 2.552 1.00 90.88 20 A 1 ATOM 159 C CA . GLN A 0 20 . -17.078 9.680 2.573 1.00 90.88 20 A 1 ATOM 160 C C . GLN A 0 20 . -17.650 8.269 2.760 1.00 90.88 20 A 1 ATOM 161 C CB . GLN A 0 20 . -17.580 10.361 1.293 1.00 90.88 20 A 1 ATOM 162 O O . GLN A 0 20 . -18.490 8.076 3.632 1.00 90.88 20 A 1 ATOM 163 C CG . GLN A 0 20 . -19.105 10.525 1.298 1.00 90.88 20 A 1 ATOM 164 C CD . GLN A 0 20 . -19.618 11.265 0.068 1.00 90.88 20 A 1 ATOM 165 N NE2 . GLN A 0 20 . -20.847 11.024 -0.328 1.00 90.88 20 A 1 ATOM 166 O OE1 . GLN A 0 20 . -18.941 12.071 -0.550 1.00 90.88 20 A 1 ATOM 167 N N . MET A 0 21 . -17.134 7.274 2.029 1.00 88.01 21 A 1 ATOM 168 C CA . MET A 0 21 . -17.551 5.874 2.177 1.00 88.01 21 A 1 ATOM 169 C C . MET A 0 21 . -17.247 5.311 3.571 1.00 88.01 21 A 1 ATOM 170 C CB . MET A 0 21 . -16.864 5.000 1.119 1.00 88.01 21 A 1 ATOM 171 O O . MET A 0 21 . -18.069 4.582 4.118 1.00 88.01 21 A 1 ATOM 172 C CG . MET A 0 21 . -17.416 5.233 -0.287 1.00 88.01 21 A 1 ATOM 173 S SD . MET A 0 21 . -16.577 4.240 -1.554 1.00 88.01 21 A 1 ATOM 174 C CE . MET A 0 21 . -17.559 4.733 -2.993 1.00 88.01 21 A 1 ATOM 175 N N . GLN A 0 22 . -16.097 5.647 4.167 1.00 87.48 22 A 1 ATOM 176 C CA . GLN A 0 22 . -15.783 5.239 5.542 1.00 87.48 22 A 1 ATOM 177 C C . GLN A 0 22 . -16.728 5.885 6.559 1.00 87.48 22 A 1 ATOM 178 C CB . GLN A 0 22 . -14.330 5.581 5.900 1.00 87.48 22 A 1 ATOM 179 O O . GLN A 0 22 . -17.292 5.182 7.393 1.00 87.48 22 A 1 ATOM 180 C CG . GLN A 0 22 . -13.327 4.636 5.233 1.00 87.48 22 A 1 ATOM 181 C CD . GLN A 0 22 . -11.932 4.804 5.823 1.00 87.48 22 A 1 ATOM 182 N NE2 . GLN A 0 22 . -11.281 3.724 6.203 1.00 87.48 22 A 1 ATOM 183 O OE1 . GLN A 0 22 . -11.389 5.888 5.962 1.00 87.48 22 A 1 ATOM 184 N N . ALA A 0 23 . -16.948 7.198 6.458 1.00 87.57 23 A 1 ATOM 185 C CA . ALA A 0 23 . -17.851 7.919 7.351 1.00 87.57 23 A 1 ATOM 186 C C . ALA A 0 23 . -19.301 7.416 7.241 1.00 87.57 23 A 1 ATOM 187 C CB . ALA A 0 23 . -17.759 9.413 7.017 1.00 87.57 23 A 1 ATOM 188 O O . ALA A 0 23 . -20.025 7.383 8.235 1.00 87.57 23 A 1 ATOM 189 N N . GLU A 0 24 . -19.727 7.009 6.045 1.00 85.39 24 A 1 ATOM 190 C CA . GLU A 0 24 . -21.027 6.384 5.824 1.00 85.39 24 A 1 ATOM 191 C C . GLU A 0 24 . -21.069 4.975 6.433 1.00 85.39 24 A 1 ATOM 192 C CB . GLU A 0 24 . -21.339 6.426 4.322 1.00 85.39 24 A 1 ATOM 193 O O . GLU A 0 24 . -21.955 4.697 7.236 1.00 85.39 24 A 1 ATOM 194 C CG . GLU A 0 24 . -22.799 6.080 3.999 1.00 85.39 24 A 1 ATOM 195 C CD . GLU A 0 24 . -23.171 6.385 2.536 1.00 85.39 24 A 1 ATOM 196 O OE1 . GLU A 0 24 . -24.376 6.274 2.224 1.00 85.39 24 A 1 ATOM 197 O OE2 . GLU A 0 24 . -22.266 6.734 1.740 1.00 85.39 24 A 1 ATOM 198 N N . GLN A 0 25 . -20.072 4.118 6.174 1.00 79.15 25 A 1 ATOM 199 C CA . GLN A 0 25 . -20.000 2.765 6.749 1.00 79.15 25 A 1 ATOM 200 C C . GLN A 0 25 . -19.954 2.749 8.283 1.00 79.15 25 A 1 ATOM 201 C CB . GLN A 0 25 . -18.778 2.007 6.206 1.00 79.15 25 A 1 ATOM 202 O O . GLN A 0 25 . -20.579 1.883 8.893 1.00 79.15 25 A 1 ATOM 203 C CG . GLN A 0 25 . -19.010 1.476 4.787 1.00 79.15 25 A 1 ATOM 204 C CD . GLN A 0 25 . -17.853 0.629 4.265 1.00 79.15 25 A 1 ATOM 205 N NE2 . GLN A 0 25 . -17.901 0.234 3.011 1.00 79.15 25 A 1 ATOM 206 O OE1 . GLN A 0 25 . -16.902 0.276 4.944 1.00 79.15 25 A 1 ATOM 207 N N . GLU A 0 26 . -19.266 3.701 8.918 1.00 75.89 26 A 1 ATOM 208 C CA . GLU A 0 26 . -19.248 3.832 10.381 1.00 75.89 26 A 1 ATOM 209 C C . GLU A 0 26 . -20.648 4.111 10.947 1.00 75.89 26 A 1 ATOM 210 C CB . GLU A 0 26 . -18.279 4.949 10.798 1.00 75.89 26 A 1 ATOM 211 O O . GLU A 0 26 . -21.004 3.574 11.997 1.00 75.89 26 A 1 ATOM 212 C CG . GLU A 0 26 . -16.808 4.514 10.691 1.00 75.89 26 A 1 ATOM 213 C CD . GLU A 0 26 . -15.813 5.635 11.039 1.00 75.89 26 A 1 ATOM 214 O OE1 . GLU A 0 26 . -14.604 5.425 10.783 1.00 75.89 26 A 1 ATOM 215 O OE2 . GLU A 0 26 . -16.243 6.683 11.576 1.00 75.89 26 A 1 ATOM 216 N N . ARG A 0 27 . -21.474 4.882 10.227 1.00 67.88 27 A 1 ATOM 217 C CA . ARG A 0 27 . -22.869 5.148 10.611 1.00 67.88 27 A 1 ATOM 218 C C . ARG A 0 27 . -23.760 3.929 10.392 1.00 67.88 27 A 1 ATOM 219 C CB . ARG A 0 27 . -23.407 6.369 9.855 1.00 67.88 27 A 1 ATOM 220 O O . ARG A 0 27 . -24.580 3.626 11.253 1.00 67.88 27 A 1 ATOM 221 C CG . ARG A 0 27 . -22.689 7.659 10.271 1.00 67.88 27 A 1 ATOM 222 C CD . ARG A 0 27 . -23.142 8.814 9.376 1.00 67.88 27 A 1 ATOM 223 N NE . ARG A 0 27 . -22.434 10.061 9.715 1.00 67.88 27 A 1 ATOM 224 N NH1 . ARG A 0 27 . -23.679 11.461 8.394 1.00 67.88 27 A 1 ATOM 225 N NH2 . ARG A 0 27 . -22.003 12.291 9.615 1.00 67.88 27 A 1 ATOM 226 C CZ . ARG A 0 27 . -22.708 11.260 9.242 1.00 67.88 27 A 1 ATOM 227 N N . VAL A 0 28 . -23.575 3.193 9.291 1.00 61.03 28 A 1 ATOM 228 C CA . VAL A 0 28 . -24.409 2.012 8.998 1.00 61.03 28 A 1 ATOM 229 C C . VAL A 0 28 . -23.975 0.764 9.784 1.00 61.03 28 A 1 ATOM 230 C CB . VAL A 0 28 . -24.571 1.730 7.484 1.00 61.03 28 A 1 ATOM 231 O O . VAL A 0 28 . -24.753 -0.171 9.933 1.00 61.03 28 A 1 ATOM 232 C CG1 . VAL A 0 28 . -25.906 1.018 7.245 1.00 61.03 28 A 1 ATOM 233 C CG2 . VAL A 0 28 . -24.611 2.985 6.600 1.00 61.03 28 A 1 ATOM 234 N N . SER A 0 29 . -22.777 0.729 10.383 1.00 57.54 29 A 1 ATOM 235 C CA . SER A 0 29 . -22.348 -0.412 11.212 1.00 57.54 29 A 1 ATOM 236 C C . SER A 0 29 . -23.172 -0.595 12.499 1.00 57.54 29 A 1 ATOM 237 C CB . SER A 0 29 . -20.860 -0.315 11.558 1.00 57.54 29 A 1 ATOM 238 O O . SER A 0 29 . -23.120 -1.677 13.088 1.00 57.54 29 A 1 ATOM 239 O OG . SER A 0 29 . -20.450 -1.511 12.202 1.00 57.54 29 A 1 ATOM 240 N N . ILE A 0 30 . -23.931 0.413 12.940 1.00 57.19 30 A 1 ATOM 241 C CA . ILE A 0 30 . -24.866 0.286 14.074 1.00 57.19 30 A 1 ATOM 242 C C . ILE A 0 30 . -26.207 -0.317 13.612 1.00 57.19 30 A 1 ATOM 243 C CB . ILE A 0 30 . -24.992 1.647 14.803 1.00 57.19 30 A 1 ATOM 244 O O . ILE A 0 30 . -26.879 -1.008 14.376 1.00 57.19 30 A 1 ATOM 245 C CG1 . ILE A 0 30 . -23.610 2.036 15.394 1.00 57.19 30 A 1 ATOM 246 C CG2 . ILE A 0 30 . -26.052 1.600 15.920 1.00 57.19 30 A 1 ATOM 247 C CD1 . ILE A 0 30 . -23.538 3.446 15.990 1.00 57.19 30 A 1 ATOM 248 N N . GLU A 0 31 . -26.544 -0.178 12.330 1.00 54.03 31 A 1 ATOM 249 C CA . GLU A 0 31 . -27.797 -0.634 11.731 1.00 54.03 31 A 1 ATOM 250 C C . GLU A 0 31 . -27.500 -1.376 10.420 1.00 54.03 31 A 1 ATOM 251 C CB . GLU A 0 31 . -28.750 0.556 11.530 1.00 54.03 31 A 1 ATOM 252 O O . GLU A 0 31 . -27.728 -0.857 9.337 1.00 54.03 31 A 1 ATOM 253 C CG . GLU A 0 31 . -29.163 1.201 12.863 1.00 54.03 31 A 1 ATOM 254 C CD . GLU A 0 31 . -30.198 2.324 12.706 1.00 54.03 31 A 1 ATOM 255 O OE1 . GLU A 0 31 . -30.560 2.898 13.758 1.00 54.03 31 A 1 ATOM 256 O OE2 . GLU A 0 31 . -30.632 2.588 11.563 1.00 54.03 31 A 1 ATOM 257 N N . LYS A 0 32 . -26.913 -2.580 10.535 1.00 50.60 32 A 1 ATOM 258 C CA . LYS A 0 32 . -26.734 -3.610 9.482 1.00 50.60 32 A 1 ATOM 259 C C . LYS A 0 32 . -27.120 -3.138 8.059 1.00 50.60 32 A 1 ATOM 260 C CB . LYS A 0 32 . -27.617 -4.825 9.834 1.00 50.60 32 A 1 ATOM 261 O O . LYS A 0 32 . -28.307 -3.205 7.728 1.00 50.60 32 A 1 ATOM 262 C CG . LYS A 0 32 . -27.200 -5.568 11.108 1.00 50.60 32 A 1 ATOM 263 C CD . LYS A 0 32 . -28.293 -6.571 11.499 1.00 50.60 32 A 1 ATOM 264 C CE . LYS A 0 32 . -27.930 -7.247 12.824 1.00 50.60 32 A 1 ATOM 265 N NZ . LYS A 0 32 . -29.070 -8.034 13.353 1.00 50.60 32 A 1 ATOM 266 N N . PRO A 0 33 . -26.171 -2.774 7.171 1.00 55.81 33 A 1 ATOM 267 C CA . PRO A 0 33 . -26.510 -2.510 5.781 1.00 55.81 33 A 1 ATOM 268 C C . PRO A 0 33 . -26.859 -3.839 5.111 1.00 55.81 33 A 1 ATOM 269 C CB . PRO A 0 33 . -25.301 -1.815 5.151 1.00 55.81 33 A 1 ATOM 270 O O . PRO A 0 33 . -25.994 -4.590 4.655 1.00 55.81 33 A 1 ATOM 271 C CG . PRO A 0 33 . -24.128 -2.201 6.050 1.00 55.81 33 A 1 ATOM 272 C CD . PRO A 0 33 . -24.741 -2.626 7.389 1.00 55.81 33 A 1 ATOM 273 N N . VAL A 0 34 . -28.154 -4.150 5.088 1.00 49.40 34 A 1 ATOM 274 C CA . VAL A 0 34 . -28.739 -5.119 4.169 1.00 49.40 34 A 1 ATOM 275 C C . VAL A 0 34 . -28.437 -4.601 2.774 1.00 49.40 34 A 1 ATOM 276 C CB . VAL A 0 34 . -30.256 -5.264 4.401 1.00 49.40 34 A 1 ATOM 277 O O . VAL A 0 34 . -28.986 -3.596 2.346 1.00 49.40 34 A 1 ATOM 278 C CG1 . VAL A 0 34 . -30.915 -6.172 3.353 1.00 49.40 34 A 1 ATOM 279 C CG2 . VAL A 0 34 . -30.521 -5.872 5.786 1.00 49.40 34 A 1 ATOM 280 N N . ILE A 0 35 . -27.514 -5.283 2.106 1.00 54.60 35 A 1 ATOM 281 C CA . ILE A 0 35 . -27.155 -5.120 0.700 1.00 54.60 35 A 1 ATOM 282 C C . ILE A 0 35 . -28.455 -5.121 -0.125 1.00 54.60 35 A 1 ATOM 283 C CB . ILE A 0 35 . -26.248 -6.322 0.310 1.00 54.60 35 A 1 ATOM 284 O O . ILE A 0 35 . -29.031 -6.200 -0.298 1.00 54.60 35 A 1 ATOM 285 C CG1 . ILE A 0 35 . -24.984 -6.448 1.200 1.00 54.60 35 A 1 ATOM 286 C CG2 . ILE A 0 35 . -25.832 -6.238 -1.169 1.00 54.60 35 A 1 ATOM 287 C CD1 . ILE A 0 35 . -24.328 -7.835 1.132 1.00 54.60 35 A 1 ATOM 288 N N . PRO A 0 36 . -28.942 -3.990 -0.673 1.00 54.59 36 A 1 ATOM 289 C CA . PRO A 0 36 . -30.030 -4.034 -1.626 1.00 54.59 36 A 1 ATOM 290 C C . PRO A 0 36 . -29.403 -4.282 -2.995 1.00 54.59 36 A 1 ATOM 291 C CB . PRO A 0 36 . -30.790 -2.720 -1.467 1.00 54.59 36 A 1 ATOM 292 O O . PRO A 0 36 . -29.215 -3.388 -3.817 1.00 54.59 36 A 1 ATOM 293 C CG . PRO A 0 36 . -29.754 -1.749 -0.895 1.00 54.59 36 A 1 ATOM 294 C CD . PRO A 0 36 . -28.530 -2.600 -0.522 1.00 54.59 36 A 1 ATOM 295 N N . ASN A 0 37 . -29.057 -5.546 -3.238 1.00 50.57 37 A 1 ATOM 296 C CA . ASN A 0 37 . -29.134 -6.053 -4.594 1.00 50.57 37 A 1 ATOM 297 C C . ASN A 0 37 . -30.604 -5.905 -5.014 1.00 50.57 37 A 1 ATOM 298 C CB . ASN A 0 37 . -28.688 -7.528 -4.631 1.00 50.57 37 A 1 ATOM 299 O O . ASN A 0 37 . -31.474 -6.455 -4.348 1.00 50.57 37 A 1 ATOM 300 C CG . ASN A 0 37 . -27.207 -7.721 -4.381 1.00 50.57 37 A 1 ATOM 301 N ND2 . ASN A 0 37 . -26.841 -8.503 -3.392 1.00 50.57 37 A 1 ATOM 302 O OD1 . ASN A 0 37 . -26.360 -7.204 -5.083 1.00 50.57 37 A 1 ATOM 303 N N . VAL A 0 38 . -30.849 -5.232 -6.139 1.00 52.89 38 A 1 ATOM 304 C CA . VAL A 0 38 . -32.117 -5.260 -6.889 1.00 52.89 38 A 1 ATOM 305 C C . VAL A 0 38 . -33.241 -4.349 -6.355 1.00 52.89 38 A 1 ATOM 306 C CB . VAL A 0 38 . -32.590 -6.719 -7.132 1.00 52.89 38 A 1 ATOM 307 O O . VAL A 0 38 . -33.974 -4.686 -5.439 1.00 52.89 38 A 1 ATOM 308 C CG1 . VAL A 0 38 . -33.774 -6.784 -8.098 1.00 52.89 38 A 1 ATOM 309 C CG2 . VAL A 0 38 . -31.471 -7.588 -7.736 1.00 52.89 38 A 1 ATOM 310 N N . VAL A 0 39 . -33.409 -3.215 -7.047 1.00 50.77 39 A 1 ATOM 311 C CA . VAL A 0 39 . -34.690 -2.647 -7.525 1.00 50.77 39 A 1 ATOM 312 C C . VAL A 0 39 . -35.896 -2.720 -6.570 1.00 50.77 39 A 1 ATOM 313 C CB . VAL A 0 39 . -35.063 -3.281 -8.891 1.00 50.77 39 A 1 ATOM 314 O O . VAL A 0 39 . -36.589 -3.734 -6.525 1.00 50.77 39 A 1 ATOM 315 C CG1 . VAL A 0 39 . -36.248 -2.567 -9.557 1.00 50.77 39 A 1 ATOM 316 C CG2 . VAL A 0 39 . -33.896 -3.239 -9.894 1.00 50.77 39 A 1 ATOM 317 N N . LYS A 0 40 . -36.203 -1.585 -5.925 1.00 49.02 40 A 1 ATOM 318 C CA . LYS A 0 40 . -37.540 -1.064 -5.539 1.00 49.02 40 A 1 ATOM 319 C C . LYS A 0 40 . -37.294 0.272 -4.822 1.00 49.02 40 A 1 ATOM 320 C CB . LYS A 0 40 . -38.274 -2.053 -4.609 1.00 49.02 40 A 1 ATOM 321 O O . LYS A 0 40 . -36.704 0.285 -3.754 1.00 49.02 40 A 1 ATOM 322 C CG . LYS A 0 40 . -39.310 -2.890 -5.383 1.00 49.02 40 A 1 ATOM 323 C CD . LYS A 0 40 . -39.649 -4.174 -4.623 1.00 49.02 40 A 1 ATOM 324 C CE . LYS A 0 40 . -40.631 -5.011 -5.444 1.00 49.02 40 A 1 ATOM 325 N NZ . LYS A 0 40 . -41.159 -6.134 -4.636 1.00 49.02 40 A 1 ATOM 326 N N . VAL A 0 41 . -37.385 1.422 -5.497 1.00 54.70 41 A 1 ATOM 327 C CA . VAL A 0 41 . -38.607 2.249 -5.601 1.00 54.70 41 A 1 ATOM 328 C C . VAL A 0 41 . -39.447 2.137 -4.336 1.00 54.70 41 A 1 ATOM 329 C CB . VAL A 0 41 . -39.472 1.958 -6.849 1.00 54.70 41 A 1 ATOM 330 O O . VAL A 0 41 . -40.032 1.085 -4.137 1.00 54.70 41 A 1 ATOM 331 C CG1 . VAL A 0 41 . -40.647 2.946 -6.960 1.00 54.70 41 A 1 ATOM 332 C CG2 . VAL A 0 41 . -38.650 2.094 -8.138 1.00 54.70 41 A 1 ATOM 333 N N . GLU A 0 42 . -39.471 3.202 -3.529 1.00 46.96 42 A 1 ATOM 334 C CA . GLU A 0 42 . -40.638 3.744 -2.808 1.00 46.96 42 A 1 ATOM 335 C C . GLU A 0 42 . -40.176 4.870 -1.847 1.00 46.96 42 A 1 ATOM 336 C CB . GLU A 0 42 . -41.451 2.643 -2.084 1.00 46.96 42 A 1 ATOM 337 O O . GLU A 0 42 . -39.508 4.595 -0.860 1.00 46.96 42 A 1 ATOM 338 C CG . GLU A 0 42 . -42.536 2.052 -3.016 1.00 46.96 42 A 1 ATOM 339 C CD . GLU A 0 42 . -43.020 0.646 -2.626 1.00 46.96 42 A 1 ATOM 340 O OE1 . GLU A 0 42 . -43.019 -0.268 -3.491 1.00 46.96 42 A 1 ATOM 341 O OE2 . GLU A 0 42 . -43.494 0.513 -1.477 1.00 46.96 42 A 1 ATOM 342 N N . ASN A 0 43 . -40.466 6.126 -2.242 1.00 49.34 43 A 1 ATOM 343 C CA . ASN A 0 43 . -40.903 7.327 -1.480 1.00 49.34 43 A 1 ATOM 344 C C . ASN A 0 43 . -40.399 7.487 -0.023 1.00 49.34 43 A 1 ATOM 345 C CB . ASN A 0 43 . -42.446 7.332 -1.545 1.00 49.34 43 A 1 ATOM 346 O O . ASN A 0 43 . -40.533 6.577 0.779 1.00 49.34 43 A 1 ATOM 347 C CG . ASN A 0 43 . -43.001 6.922 -2.898 1.00 49.34 43 A 1 ATOM 348 N ND2 . ASN A 0 43 . -43.689 5.806 -2.980 1.00 49.34 43 A 1 ATOM 349 O OD1 . ASN A 0 43 . -42.741 7.536 -3.918 1.00 49.34 43 A 1 ATOM 350 N N . THR A 0 44 . -39.908 8.615 0.495 1.00 46.76 44 A 1 ATOM 351 C CA . THR A 0 44 . -40.350 10.034 0.512 1.00 46.76 44 A 1 ATOM 352 C C . THR A 0 44 . -39.302 10.675 1.469 1.00 46.76 44 A 1 ATOM 353 C CB . THR A 0 44 . -41.762 10.176 1.155 1.00 46.76 44 A 1 ATOM 354 O O . THR A 0 44 . -38.889 10.008 2.410 1.00 46.76 44 A 1 ATOM 355 C CG2 . THR A 0 44 . -42.644 11.161 0.398 1.00 46.76 44 A 1 ATOM 356 O OG1 . THR A 0 44 . -42.513 8.976 1.123 1.00 46.76 44 A 1 ATOM 357 N N . ASP A 0 45 . -38.623 11.794 1.232 1.00 49.81 45 A 1 ATOM 358 C CA . ASP A 0 45 . -39.104 13.163 1.390 1.00 49.81 45 A 1 ATOM 359 C C . ASP A 0 45 . -37.971 14.125 0.969 1.00 49.81 45 A 1 ATOM 360 C CB . ASP A 0 45 . -39.446 13.447 2.872 1.00 49.81 45 A 1 ATOM 361 O O . ASP A 0 45 . -36.824 13.997 1.390 1.00 49.81 45 A 1 ATOM 362 C CG . ASP A 0 45 . -40.789 12.846 3.289 1.00 49.81 45 A 1 ATOM 363 O OD1 . ASP A 0 45 . -41.747 13.030 2.508 1.00 49.81 45 A 1 ATOM 364 O OD2 . ASP A 0 45 . -40.851 12.162 4.333 1.00 49.81 45 A 1 ATOM 365 N N . GLU A 0 46 . -38.348 15.067 0.108 1.00 54.46 46 A 1 ATOM 366 C CA . GLU A 0 46 . -37.982 16.487 0.146 1.00 54.46 46 A 1 ATOM 367 C C . GLU A 0 46 . -36.505 16.941 0.072 1.00 54.46 46 A 1 ATOM 368 C CB . GLU A 0 46 . -38.762 17.169 1.284 1.00 54.46 46 A 1 ATOM 369 O O . GLU A 0 46 . -35.758 16.925 1.041 1.00 54.46 46 A 1 ATOM 370 C CG . GLU A 0 46 . -40.280 16.961 1.100 1.00 54.46 46 A 1 ATOM 371 C CD . GLU A 0 46 . -41.150 17.760 2.078 1.00 54.46 46 A 1 ATOM 372 O OE1 . GLU A 0 46 . -42.369 17.840 1.797 1.00 54.46 46 A 1 ATOM 373 O OE2 . GLU A 0 46 . -40.605 18.334 3.046 1.00 54.46 46 A 1 ATOM 374 N N . PHE A 0 47 . -36.219 17.566 -1.087 1.00 53.94 47 A 1 ATOM 375 C CA . PHE A 0 47 . -35.497 18.843 -1.254 1.00 53.94 47 A 1 ATOM 376 C C . PHE A 0 47 . -33.974 18.824 -0.965 1.00 53.94 47 A 1 ATOM 377 C CB . PHE A 0 47 . -36.278 19.942 -0.493 1.00 53.94 47 A 1 ATOM 378 O O . PHE A 0 47 . -33.508 18.432 0.086 1.00 53.94 47 A 1 ATOM 379 C CG . PHE A 0 47 . -37.174 20.822 -1.351 1.00 53.94 47 A 1 ATOM 380 C CD1 . PHE A 0 47 . -36.905 22.196 -1.415 1.00 53.94 47 A 1 ATOM 381 C CD2 . PHE A 0 47 . -38.278 20.307 -2.060 1.00 53.94 47 A 1 ATOM 382 C CE1 . PHE A 0 47 . -37.658 23.043 -2.241 1.00 53.94 47 A 1 ATOM 383 C CE2 . PHE A 0 47 . -39.060 21.160 -2.865 1.00 53.94 47 A 1 ATOM 384 C CZ . PHE A 0 47 . -38.738 22.525 -2.972 1.00 53.94 47 A 1 ATOM 385 N N . GLU A 0 48 . -33.067 19.283 -1.830 1.00 45.41 48 A 1 ATOM 386 C CA . GLU A 0 48 . -33.154 20.445 -2.705 1.00 45.41 48 A 1 ATOM 387 C C . GLU A 0 48 . -31.907 20.477 -3.622 1.00 45.41 48 A 1 ATOM 388 C CB . GLU A 0 48 . -33.156 21.682 -1.777 1.00 45.41 48 A 1 ATOM 389 O O . GLU A 0 48 . -30.784 20.412 -3.139 1.00 45.41 48 A 1 ATOM 390 C CG . GLU A 0 48 . -33.789 22.937 -2.373 1.00 45.41 48 A 1 ATOM 391 C CD . GLU A 0 48 . -34.027 24.013 -1.292 1.00 45.41 48 A 1 ATOM 392 O OE1 . GLU A 0 48 . -35.001 24.782 -1.454 1.00 45.41 48 A 1 ATOM 393 O OE2 . GLU A 0 48 . -33.211 24.094 -0.349 1.00 45.41 48 A 1 ATOM 394 N N . SER A 0 49 . -32.119 20.605 -4.939 1.00 52.17 49 A 1 ATOM 395 C CA . SER A 0 49 . -31.258 21.247 -5.961 1.00 52.17 49 A 1 ATOM 396 C C . SER A 0 49 . -29.726 20.960 -5.955 1.00 52.17 49 A 1 ATOM 397 C CB . SER A 0 49 . -31.580 22.748 -5.912 1.00 52.17 49 A 1 ATOM 398 O O . SER A 0 49 . -29.000 21.279 -5.027 1.00 52.17 49 A 1 ATOM 399 O OG . SER A 0 49 . -30.863 23.425 -4.902 1.00 52.17 49 A 1 ATOM 400 N N . LYS A 0 50 . -29.075 20.487 -7.024 1.00 51.96 50 A 1 ATOM 401 C CA . LYS A 0 50 . -29.057 21.050 -8.379 1.00 51.96 50 A 1 ATOM 402 C C . LYS A 0 50 . -28.612 19.994 -9.400 1.00 51.96 50 A 1 ATOM 403 C CB . LYS A 0 50 . -28.070 22.240 -8.433 1.00 51.96 50 A 1 ATOM 404 O O . LYS A 0 50 . -27.499 19.483 -9.382 1.00 51.96 50 A 1 ATOM 405 C CG . LYS A 0 50 . -28.601 23.469 -7.682 1.00 51.96 50 A 1 ATOM 406 C CD . LYS A 0 50 . -27.718 24.708 -7.811 1.00 51.96 50 A 1 ATOM 407 C CE . LYS A 0 50 . -28.371 25.797 -6.949 1.00 51.96 50 A 1 ATOM 408 N NZ . LYS A 0 50 . -27.661 27.094 -7.045 1.00 51.96 50 A 1 ATOM 409 N N . GLN A 0 51 . -29.534 19.750 -10.316 1.00 39.14 51 A 1 ATOM 410 C CA . GLN A 0 51 . -29.432 19.127 -11.629 1.00 39.14 51 A 1 ATOM 411 C C . GLN A 0 51 . -28.177 19.526 -12.430 1.00 39.14 51 A 1 ATOM 412 C CB . GLN A 0 51 . -30.698 19.681 -12.314 1.00 39.14 51 A 1 ATOM 413 O O . GLN A 0 51 . -27.936 20.714 -12.632 1.00 39.14 51 A 1 ATOM 414 C CG . GLN A 0 51 . -31.015 19.294 -13.761 1.00 39.14 51 A 1 ATOM 415 C CD . GLN A 0 51 . -32.267 20.031 -14.251 1.00 39.14 51 A 1 ATOM 416 N NE2 . GLN A 0 51 . -32.677 19.835 -15.484 1.00 39.14 51 A 1 ATOM 417 O OE1 . GLN A 0 51 . -32.900 20.804 -13.555 1.00 39.14 51 A 1 ATOM 418 N N . CYS A 0 52 . -27.472 18.548 -13.014 1.00 30.89 52 A 1 ATOM 419 C CA . CYS A 0 52 . -26.927 18.684 -14.371 1.00 30.89 52 A 1 ATOM 420 C C . CYS A 0 52 . -26.593 17.319 -15.014 1.00 30.89 52 A 1 ATOM 421 C CB . CYS A 0 52 . -25.703 19.617 -14.399 1.00 30.89 52 A 1 ATOM 422 O O . CYS A 0 52 . -25.562 16.731 -14.715 1.00 30.89 52 A 1 ATOM 423 S SG . CYS A 0 52 . -25.590 20.435 -16.023 1.00 30.89 52 A 1 ATOM 424 N N . LYS A 0 53 . -27.467 16.934 -15.957 1.00 40.48 53 A 1 ATOM 425 C CA . LYS A 0 53 . -27.241 16.191 -17.218 1.00 40.48 53 A 1 ATOM 426 C C . LYS A 0 53 . -26.926 14.686 -17.154 1.00 40.48 53 A 1 ATOM 427 C CB . LYS A 0 53 . -26.275 16.986 -18.112 1.00 40.48 53 A 1 ATOM 428 O O . LYS A 0 53 . -25.977 14.269 -16.512 1.00 40.48 53 A 1 ATOM 429 C CG . LYS A 0 53 . -26.915 18.316 -18.547 1.00 40.48 53 A 1 ATOM 430 C CD . LYS A 0 53 . -25.918 19.225 -19.265 1.00 40.48 53 A 1 ATOM 431 C CE . LYS A 0 53 . -26.578 20.588 -19.500 1.00 40.48 53 A 1 ATOM 432 N NZ . LYS A 0 53 . -25.641 21.529 -20.154 1.00 40.48 53 A 1 ATOM 433 N N . THR A 0 54 . -27.840 13.850 -17.673 1.00 39.70 54 A 1 ATOM 434 C CA . THR A 0 54 . -27.835 13.276 -19.051 1.00 39.70 54 A 1 ATOM 435 C C . THR A 0 54 . -26.577 12.415 -19.225 1.00 39.70 54 A 1 ATOM 436 C CB . THR A 0 54 . -27.969 14.301 -20.212 1.00 39.70 54 A 1 ATOM 437 O O . THR A 0 54 . -25.482 12.941 -19.155 1.00 39.70 54 A 1 ATOM 438 C CG2 . THR A 0 54 . -28.859 13.793 -21.349 1.00 39.70 54 A 1 ATOM 439 O OG1 . THR A 0 54 . -28.617 15.506 -19.877 1.00 39.70 54 A 1 ATOM 440 N N . GLU A 0 55 . -26.617 11.094 -19.355 1.00 49.13 55 A 1 ATOM 441 C CA . GLU A 0 55 . -27.232 10.302 -20.422 1.00 49.13 55 A 1 ATOM 442 C C . GLU A 0 55 . -27.383 8.857 -19.915 1.00 49.13 55 A 1 ATOM 443 C CB . GLU A 0 55 . -26.277 10.316 -21.639 1.00 49.13 55 A 1 ATOM 444 O O . GLU A 0 55 . -26.445 8.261 -19.388 1.00 49.13 55 A 1 ATOM 445 C CG . GLU A 0 55 . -26.363 11.635 -22.432 1.00 49.13 55 A 1 ATOM 446 C CD . GLU A 0 55 . -25.151 12.007 -23.294 1.00 49.13 55 A 1 ATOM 447 O OE1 . GLU A 0 55 . -25.246 13.092 -23.917 1.00 49.13 55 A 1 ATOM 448 O OE2 . GLU A 0 55 . -24.135 11.281 -23.273 1.00 49.13 55 A 1 ATOM 449 N N . SER A 0 56 . -28.579 8.288 -20.041 1.00 49.38 56 A 1 ATOM 450 C CA . SER A 0 56 . -28.820 6.869 -19.797 1.00 49.38 56 A 1 ATOM 451 C C . SER A 0 56 . -28.473 6.083 -21.060 1.00 49.38 56 A 1 ATOM 452 C CB . SER A 0 56 . -30.284 6.660 -19.386 1.00 49.38 56 A 1 ATOM 453 O O . SER A 0 56 . -29.336 5.883 -21.914 1.00 49.38 56 A 1 ATOM 454 O OG . SER A 0 56 . -31.148 7.209 -20.364 1.00 49.38 56 A 1 ATOM 455 N N . GLU A 0 57 . -27.230 5.630 -21.189 1.00 53.68 57 A 1 ATOM 456 C CA . GLU A 0 57 . -26.881 4.593 -22.158 1.00 53.68 57 A 1 ATOM 457 C C . GLU A 0 57 . -26.654 3.272 -21.425 1.00 53.68 57 A 1 ATOM 458 C CB . GLU A 0 57 . -25.727 5.005 -23.081 1.00 53.68 57 A 1 ATOM 459 O O . GLU A 0 57 . -25.704 3.072 -20.671 1.00 53.68 57 A 1 ATOM 460 C CG . GLU A 0 57 . -26.207 6.038 -24.119 1.00 53.68 57 A 1 ATOM 461 C CD . GLU A 0 57 . -25.208 6.248 -25.268 1.00 53.68 57 A 1 ATOM 462 O OE1 . GLU A 0 57 . -25.668 6.685 -26.348 1.00 53.68 57 A 1 ATOM 463 O OE2 . GLU A 0 57 . -24.014 5.917 -25.086 1.00 53.68 57 A 1 ATOM 464 N N . THR A 0 58 . -27.607 2.367 -21.634 1.00 50.14 58 A 1 ATOM 465 C CA . THR A 0 58 . -27.575 0.951 -21.273 1.00 50.14 58 A 1 ATOM 466 C C . THR A 0 58 . -26.382 0.261 -21.932 1.00 50.14 58 A 1 ATOM 467 C CB . THR A 0 58 . -28.890 0.272 -21.720 1.00 50.14 58 A 1 ATOM 468 O O . THR A 0 58 . -26.498 -0.303 -23.018 1.00 50.14 58 A 1 ATOM 469 C CG2 . THR A 0 58 . -29.939 0.269 -20.615 1.00 50.14 58 A 1 ATOM 470 O OG1 . THR A 0 58 . -29.465 0.941 -22.825 1.00 50.14 58 A 1 ATOM 471 N N . VAL A 0 59 . -25.228 0.284 -21.268 1.00 61.92 59 A 1 ATOM 472 C CA . VAL A 0 59 . -24.084 -0.565 -21.620 1.00 61.92 59 A 1 ATOM 473 C C . VAL A 0 59 . -24.294 -1.932 -20.963 1.00 61.92 59 A 1 ATOM 474 C CB . VAL A 0 59 . -22.713 0.034 -21.229 1.00 61.92 59 A 1 ATOM 475 O O . VAL A 0 59 . -24.501 -1.989 -19.745 1.00 61.92 59 A 1 ATOM 476 C CG1 . VAL A 0 59 . -21.722 -0.146 -22.386 1.00 61.92 59 A 1 ATOM 477 C CG2 . VAL A 0 59 . -22.744 1.524 -20.868 1.00 61.92 59 A 1 ATOM 478 N N . PRO A 0 60 . -24.274 -3.048 -21.716 1.00 57.20 60 A 1 ATOM 479 C CA . PRO A 0 60 . -24.419 -4.368 -21.127 1.00 57.20 60 A 1 ATOM 480 C C . PRO A 0 60 . -23.303 -4.579 -20.103 1.00 57.20 60 A 1 ATOM 481 C CB . PRO A 0 60 . -24.380 -5.365 -22.291 1.00 57.20 60 A 1 ATOM 482 O O . PRO A 0 60 . -22.118 -4.436 -20.405 1.00 57.20 60 A 1 ATOM 483 C CG . PRO A 0 60 . -23.621 -4.608 -23.381 1.00 57.20 60 A 1 ATOM 484 C CD . PRO A 0 60 . -24.019 -3.154 -23.143 1.00 57.20 60 A 1 ATOM 485 N N . TYR A 0 61 . -23.723 -4.943 -18.892 1.00 56.31 61 A 1 ATOM 486 C CA . TYR A 0 61 . -22.972 -5.120 -17.641 1.00 56.31 61 A 1 ATOM 487 C C . TYR A 0 61 . -21.700 -6.005 -17.727 1.00 56.31 61 A 1 ATOM 488 C CB . TYR A 0 61 . -24.016 -5.678 -16.655 1.00 56.31 61 A 1 ATOM 489 O O . TYR A 0 61 . -20.991 -6.193 -16.746 1.00 56.31 61 A 1 ATOM 490 C CG . TYR A 0 61 . -23.629 -5.723 -15.193 1.00 56.31 61 A 1 ATOM 491 C CD1 . TYR A 0 61 . -23.201 -6.936 -14.621 1.00 56.31 61 A 1 ATOM 492 C CD2 . TYR A 0 61 . -23.750 -4.568 -14.394 1.00 56.31 61 A 1 ATOM 493 C CE1 . TYR A 0 61 . -22.882 -6.995 -13.253 1.00 56.31 61 A 1 ATOM 494 C CE2 . TYR A 0 61 . -23.433 -4.625 -13.022 1.00 56.31 61 A 1 ATOM 495 O OH . TYR A 0 61 . -22.685 -5.909 -11.132 1.00 56.31 61 A 1 ATOM 496 C CZ . TYR A 0 61 . -22.996 -5.841 -12.452 1.00 56.31 61 A 1 ATOM 497 N N . PHE A 0 62 . -21.349 -6.522 -18.904 1.00 61.58 62 A 1 ATOM 498 C CA . PHE A 0 62 . -20.188 -7.375 -19.145 1.00 61.58 62 A 1 ATOM 499 C C . PHE A 0 62 . -18.908 -6.635 -19.567 1.00 61.58 62 A 1 ATOM 500 C CB . PHE A 0 62 . -20.597 -8.465 -20.141 1.00 61.58 62 A 1 ATOM 501 O O . PHE A 0 62 . -17.851 -7.260 -19.599 1.00 61.58 62 A 1 ATOM 502 C CG . PHE A 0 62 . -21.552 -9.464 -19.518 1.00 61.58 62 A 1 ATOM 503 C CD1 . PHE A 0 62 . -21.044 -10.453 -18.656 1.00 61.58 62 A 1 ATOM 504 C CD2 . PHE A 0 62 . -22.939 -9.379 -19.747 1.00 61.58 62 A 1 ATOM 505 C CE1 . PHE A 0 62 . -21.915 -11.359 -18.028 1.00 61.58 62 A 1 ATOM 506 C CE2 . PHE A 0 62 . -23.810 -10.287 -19.118 1.00 61.58 62 A 1 ATOM 507 C CZ . PHE A 0 62 . -23.299 -11.277 -18.260 1.00 61.58 62 A 1 ATOM 508 N N . GLN A 0 63 . -18.945 -5.327 -19.846 1.00 60.28 63 A 1 ATOM 509 C CA . GLN A 0 63 . -17.739 -4.571 -20.238 1.00 60.28 63 A 1 ATOM 510 C C . GLN A 0 63 . -17.028 -3.843 -19.078 1.00 60.28 63 A 1 ATOM 511 C CB . GLN A 0 63 . -18.059 -3.651 -21.426 1.00 60.28 63 A 1 ATOM 512 O O . GLN A 0 63 . -15.968 -3.258 -19.285 1.00 60.28 63 A 1 ATOM 513 C CG . GLN A 0 63 . -18.333 -4.473 -22.698 1.00 60.28 63 A 1 ATOM 514 C CD . GLN A 0 63 . -18.464 -3.595 -23.936 1.00 60.28 63 A 1 ATOM 515 N NE2 . GLN A 0 63 . -17.884 -3.979 -25.053 1.00 60.28 63 A 1 ATOM 516 O OE1 . GLN A 0 63 . -19.093 -2.557 -23.935 1.00 60.28 63 A 1 ATOM 517 N N . LEU A 0 64 . -17.556 -3.922 -17.850 1.00 59.01 64 A 1 ATOM 518 C CA . LEU A 0 64 . -17.021 -3.233 -16.661 1.00 59.01 64 A 1 ATOM 519 C C . LEU A 0 64 . -15.992 -4.035 -15.846 1.00 59.01 64 A 1 ATOM 520 C CB . LEU A 0 64 . -18.193 -2.730 -15.796 1.00 59.01 64 A 1 ATOM 521 O O . LEU A 0 64 . -15.606 -3.612 -14.758 1.00 59.01 64 A 1 ATOM 522 C CG . LEU A 0 64 . -18.750 -1.378 -16.269 1.00 59.01 64 A 1 ATOM 523 C CD1 . LEU A 0 64 . -20.087 -1.115 -15.579 1.00 59.01 64 A 1 ATOM 524 C CD2 . LEU A 0 64 . -17.806 -0.217 -15.932 1.00 59.01 64 A 1 ATOM 525 N N . PHE A 0 65 . -15.496 -5.159 -16.363 1.00 57.62 65 A 1 ATOM 526 C CA . PHE A 0 65 . -14.385 -5.867 -15.735 1.00 57.62 65 A 1 ATOM 527 C C . PHE A 0 65 . -13.097 -5.591 -16.508 1.00 57.62 65 A 1 ATOM 528 C CB . PHE A 0 65 . -14.703 -7.354 -15.583 1.00 57.62 65 A 1 ATOM 529 O O . PHE A 0 65 . -12.939 -6.107 -17.619 1.00 57.62 65 A 1 ATOM 530 C CG . PHE A 0 65 . -15.823 -7.580 -14.588 1.00 57.62 65 A 1 ATOM 531 C CD1 . PHE A 0 65 . -15.574 -7.463 -13.206 1.00 57.62 65 A 1 ATOM 532 C CD2 . PHE A 0 65 . -17.132 -7.822 -15.045 1.00 57.62 65 A 1 ATOM 533 C CE1 . PHE A 0 65 . -16.629 -7.594 -12.286 1.00 57.62 65 A 1 ATOM 534 C CE2 . PHE A 0 65 . -18.186 -7.951 -14.125 1.00 57.62 65 A 1 ATOM 535 C CZ . PHE A 0 65 . -17.935 -7.838 -12.746 1.00 57.62 65 A 1 ATOM 536 N N . PRO A 0 66 . -12.148 -4.810 -15.954 1.00 66.36 66 A 1 ATOM 537 C CA . PRO A 0 66 . -10.813 -4.785 -16.512 1.00 66.36 66 A 1 ATOM 538 C C . PRO A 0 66 . -10.284 -6.215 -16.468 1.00 66.36 66 A 1 ATOM 539 C CB . PRO A 0 66 . -10.000 -3.808 -15.660 1.00 66.36 66 A 1 ATOM 540 O O . PRO A 0 66 . -10.283 -6.872 -15.427 1.00 66.36 66 A 1 ATOM 541 C CG . PRO A 0 66 . -10.721 -3.827 -14.313 1.00 66.36 66 A 1 ATOM 542 C CD . PRO A 0 66 . -12.179 -4.091 -14.686 1.00 66.36 66 A 1 ATOM 543 N N . MET A 0 67 . -9.868 -6.697 -17.632 1.00 57.12 67 A 1 ATOM 544 C CA . MET A 0 67 . -9.093 -7.910 -17.809 1.00 57.12 67 A 1 ATOM 545 C C . MET A 0 67 . -7.886 -7.843 -16.871 1.00 57.12 67 A 1 ATOM 546 C CB . MET A 0 67 . -8.716 -7.957 -19.298 1.00 57.12 67 A 1 ATOM 547 O O . MET A 0 67 . -6.874 -7.232 -17.201 1.00 57.12 67 A 1 ATOM 548 C CG . MET A 0 67 . -7.944 -9.199 -19.737 1.00 57.12 67 A 1 ATOM 549 S SD . MET A 0 67 . -7.960 -9.369 -21.543 1.00 57.12 67 A 1 ATOM 550 C CE . MET A 0 67 . -6.997 -10.882 -21.762 1.00 57.12 67 A 1 ATOM 551 N N . ILE A 0 68 . -8.012 -8.415 -15.670 1.00 65.34 68 A 1 ATOM 552 C CA . ILE A 0 68 . -6.915 -8.498 -14.710 1.00 65.34 68 A 1 ATOM 553 C C . ILE A 0 68 . -5.845 -9.360 -15.381 1.00 65.34 68 A 1 ATOM 554 C CB . ILE A 0 68 . -7.364 -9.079 -13.349 1.00 65.34 68 A 1 ATOM 555 O O . ILE A 0 68 . -6.101 -10.540 -15.656 1.00 65.34 68 A 1 ATOM 556 C CG1 . ILE A 0 68 . -8.443 -8.180 -12.701 1.00 65.34 68 A 1 ATOM 557 C CG2 . ILE A 0 68 . -6.144 -9.223 -12.414 1.00 65.34 68 A 1 ATOM 558 C CD1 . ILE A 0 68 . -9.064 -8.754 -11.422 1.00 65.34 68 A 1 ATOM 559 N N . PRO A 0 69 . -4.650 -8.819 -15.676 1.00 65.52 69 A 1 ATOM 560 C CA . PRO A 0 69 . -3.578 -9.629 -16.212 1.00 65.52 69 A 1 ATOM 561 C C . PRO A 0 69 . -3.265 -10.720 -15.188 1.00 65.52 69 A 1 ATOM 562 C CB . PRO A 0 69 . -2.399 -8.675 -16.463 1.00 65.52 69 A 1 ATOM 563 O O . PRO A 0 69 . -2.877 -10.428 -14.057 1.00 65.52 69 A 1 ATOM 564 C CG . PRO A 0 69 . -3.047 -7.290 -16.487 1.00 65.52 69 A 1 ATOM 565 C CD . PRO A 0 69 . -4.216 -7.440 -15.522 1.00 65.52 69 A 1 ATOM 566 N N . ARG A 0 70 . -3.379 -11.990 -15.593 1.00 63.42 70 A 1 ATOM 567 C CA . ARG A 0 70 . -3.016 -13.184 -14.799 1.00 63.42 70 A 1 ATOM 568 C C . ARG A 0 70 . -1.518 -13.252 -14.433 1.00 63.42 70 A 1 ATOM 569 C CB . ARG A 0 70 . -3.456 -14.464 -15.537 1.00 63.42 70 A 1 ATOM 570 O O . ARG A 0 70 . -1.023 -14.294 -14.024 1.00 63.42 70 A 1 ATOM 571 C CG . ARG A 0 70 . -4.964 -14.550 -15.818 1.00 63.42 70 A 1 ATOM 572 C CD . ARG A 0 70 . -5.304 -15.924 -16.416 1.00 63.42 70 A 1 ATOM 573 N NE . ARG A 0 70 . -6.668 -15.946 -16.985 1.00 63.42 70 A 1 ATOM 574 N NH1 . ARG A 0 70 . -7.355 -18.011 -16.227 1.00 63.42 70 A 1 ATOM 575 N NH2 . ARG A 0 70 . -8.705 -16.803 -17.524 1.00 63.42 70 A 1 ATOM 576 C CZ . ARG A 0 70 . -7.562 -16.917 -16.907 1.00 63.42 70 A 1 ATOM 577 N N . PHE A 0 71 . -0.786 -12.151 -14.579 1.00 53.10 71 A 1 ATOM 578 C CA . PHE A 0 71 . 0.660 -12.050 -14.425 1.00 53.10 71 A 1 ATOM 579 C C . PHE A 0 71 . 1.112 -11.623 -13.018 1.00 53.10 71 A 1 ATOM 580 C CB . PHE A 0 71 . 1.210 -11.145 -15.541 1.00 53.10 71 A 1 ATOM 581 O O . PHE A 0 71 . 2.307 -11.523 -12.765 1.00 53.10 71 A 1 ATOM 582 C CG . PHE A 0 71 . 2.276 -11.843 -16.354 1.00 53.10 71 A 1 ATOM 583 C CD1 . PHE A 0 71 . 3.631 -11.702 -16.004 1.00 53.10 71 A 1 ATOM 584 C CD2 . PHE A 0 71 . 1.910 -12.685 -17.422 1.00 53.10 71 A 1 ATOM 585 C CE1 . PHE A 0 71 . 4.619 -12.389 -16.730 1.00 53.10 71 A 1 ATOM 586 C CE2 . PHE A 0 71 . 2.899 -13.375 -18.145 1.00 53.10 71 A 1 ATOM 587 C CZ . PHE A 0 71 . 4.253 -13.225 -17.800 1.00 53.10 71 A 1 ATOM 588 N N . TRP A 0 72 . 0.182 -11.400 -12.082 1.00 50.65 72 A 1 ATOM 589 C CA . TRP A 0 72 . 0.497 -10.929 -10.724 1.00 50.65 72 A 1 ATOM 590 C C . TRP A 0 72 . 0.729 -12.028 -9.671 1.00 50.65 72 A 1 ATOM 591 C CB . TRP A 0 72 . -0.551 -9.892 -10.290 1.00 50.65 72 A 1 ATOM 592 O O . TRP A 0 72 . 1.036 -11.707 -8.525 1.00 50.65 72 A 1 ATOM 593 C CG . TRP A 0 72 . -0.179 -8.486 -10.646 1.00 50.65 72 A 1 ATOM 594 C CD1 . TRP A 0 72 . 0.068 -8.020 -11.892 1.00 50.65 72 A 1 ATOM 595 C CD2 . TRP A 0 72 . 0.038 -7.354 -9.747 1.00 50.65 72 A 1 ATOM 596 C CE2 . TRP A 0 72 . 0.426 -6.226 -10.530 1.00 50.65 72 A 1 ATOM 597 C CE3 . TRP A 0 72 . -0.055 -7.167 -8.350 1.00 50.65 72 A 1 ATOM 598 N NE1 . TRP A 0 72 . 0.429 -6.689 -11.828 1.00 50.65 72 A 1 ATOM 599 C CH2 . TRP A 0 72 . 0.598 -4.822 -8.569 1.00 50.65 72 A 1 ATOM 600 C CZ2 . TRP A 0 72 . 0.707 -4.976 -9.961 1.00 50.65 72 A 1 ATOM 601 C CZ3 . TRP A 0 72 . 0.219 -5.914 -7.768 1.00 50.65 72 A 1 ATOM 602 N N . TRP A 0 73 . 0.630 -13.319 -10.014 1.00 48.05 73 A 1 ATOM 603 C CA . TRP A 0 73 . 0.641 -14.378 -8.990 1.00 48.05 73 A 1 ATOM 604 C C . TRP A 0 73 . 1.983 -15.108 -8.776 1.00 48.05 73 A 1 ATOM 605 C CB . TRP A 0 73 . -0.540 -15.327 -9.229 1.00 48.05 73 A 1 ATOM 606 O O . TRP A 0 73 . 2.164 -15.754 -7.747 1.00 48.05 73 A 1 ATOM 607 C CG . TRP A 0 73 . -0.918 -16.185 -8.059 1.00 48.05 73 A 1 ATOM 608 C CD1 . TRP A 0 73 . -0.961 -15.794 -6.762 1.00 48.05 73 A 1 ATOM 609 C CD2 . TRP A 0 73 . -1.333 -17.584 -8.061 1.00 48.05 73 A 1 ATOM 610 C CE2 . TRP A 0 73 . -1.590 -17.983 -6.715 1.00 48.05 73 A 1 ATOM 611 C CE3 . TRP A 0 73 . -1.529 -18.554 -9.068 1.00 48.05 73 A 1 ATOM 612 N NE1 . TRP A 0 73 . -1.347 -16.853 -5.966 1.00 48.05 73 A 1 ATOM 613 C CH2 . TRP A 0 73 . -2.205 -20.215 -7.408 1.00 48.05 73 A 1 ATOM 614 C CZ2 . TRP A 0 73 . -2.016 -19.275 -6.381 1.00 48.05 73 A 1 ATOM 615 C CZ3 . TRP A 0 73 . -1.963 -19.854 -8.745 1.00 48.05 73 A 1 ATOM 616 N N . GLN A 0 74 . 2.970 -14.979 -9.672 1.00 54.36 74 A 1 ATOM 617 C CA . GLN A 0 74 . 4.184 -15.813 -9.601 1.00 54.36 74 A 1 ATOM 618 C C . GLN A 0 74 . 5.307 -15.252 -8.699 1.00 54.36 74 A 1 ATOM 619 C CB . GLN A 0 74 . 4.667 -16.111 -11.033 1.00 54.36 74 A 1 ATOM 620 O O . GLN A 0 74 . 6.133 -16.023 -8.215 1.00 54.36 74 A 1 ATOM 621 C CG . GLN A 0 74 . 5.656 -17.289 -11.130 1.00 54.36 74 A 1 ATOM 622 C CD . GLN A 0 74 . 5.048 -18.638 -10.745 1.00 54.36 74 A 1 ATOM 623 N NE2 . GLN A 0 74 . 5.747 -19.461 -9.994 1.00 54.36 74 A 1 ATOM 624 O OE1 . GLN A 0 74 . 3.942 -18.986 -11.112 1.00 54.36 74 A 1 ATOM 625 N N . SER A 0 75 . 5.350 -13.944 -8.421 1.00 60.55 75 A 1 ATOM 626 C CA . SER A 0 75 . 6.570 -13.312 -7.873 1.00 60.55 75 A 1 ATOM 627 C C . SER A 0 75 . 6.540 -12.890 -6.398 1.00 60.55 75 A 1 ATOM 628 C CB . SER A 0 75 . 7.020 -12.159 -8.776 1.00 60.55 75 A 1 ATOM 629 O O . SER A 0 75 . 7.572 -12.456 -5.902 1.00 60.55 75 A 1 ATOM 630 O OG . SER A 0 75 . 7.415 -12.680 -10.031 1.00 60.55 75 A 1 ATOM 631 N N . ASN A 0 76 . 5.435 -13.052 -5.654 1.00 58.37 76 A 1 ATOM 632 C CA . ASN A 0 76 . 5.319 -12.515 -4.280 1.00 58.37 76 A 1 ATOM 633 C C . ASN A 0 76 . 4.913 -13.541 -3.203 1.00 58.37 76 A 1 ATOM 634 C CB . ASN A 0 76 . 4.449 -11.242 -4.299 1.00 58.37 76 A 1 ATOM 635 O O . ASN A 0 76 . 4.212 -13.211 -2.247 1.00 58.37 76 A 1 ATOM 636 C CG . ASN A 0 76 . 5.183 -10.040 -4.871 1.00 58.37 76 A 1 ATOM 637 N ND2 . ASN A 0 76 . 4.491 -9.162 -5.557 1.00 58.37 76 A 1 ATOM 638 O OD1 . ASN A 0 76 . 6.371 -9.858 -4.690 1.00 58.37 76 A 1 ATOM 639 N N . ARG A 0 77 . 5.410 -14.786 -3.280 1.00 54.63 77 A 1 ATOM 640 C CA . ARG A 0 77 . 5.178 -15.821 -2.243 1.00 54.63 77 A 1 ATOM 641 C C . ARG A 0 77 . 5.764 -15.462 -0.858 1.00 54.63 77 A 1 ATOM 642 C CB . ARG A 0 77 . 5.639 -17.193 -2.791 1.00 54.63 77 A 1 ATOM 643 O O . ARG A 0 77 . 5.477 -16.137 0.120 1.00 54.63 77 A 1 ATOM 644 C CG . ARG A 0 77 . 5.355 -18.382 -1.852 1.00 54.63 77 A 1 ATOM 645 C CD . ARG A 0 77 . 5.683 -19.749 -2.469 1.00 54.63 77 A 1 ATOM 646 N NE . ARG A 0 77 . 4.583 -20.287 -3.301 1.00 54.63 77 A 1 ATOM 647 N NH1 . ARG A 0 77 . 4.607 -22.458 -2.517 1.00 54.63 77 A 1 ATOM 648 N NH2 . ARG A 0 77 . 3.148 -21.874 -4.091 1.00 54.63 77 A 1 ATOM 649 C CZ . ARG A 0 77 . 4.122 -21.529 -3.297 1.00 54.63 77 A 1 ATOM 650 N N . TRP A 0 78 . 6.572 -14.407 -0.751 1.00 54.45 78 A 1 ATOM 651 C CA . TRP A 0 78 . 7.319 -14.082 0.471 1.00 54.45 78 A 1 ATOM 652 C C . TRP A 0 78 . 6.702 -12.941 1.294 1.00 54.45 78 A 1 ATOM 653 C CB . TRP A 0 78 . 8.788 -13.832 0.099 1.00 54.45 78 A 1 ATOM 654 O O . TRP A 0 78 . 7.133 -12.709 2.419 1.00 54.45 78 A 1 ATOM 655 C CG . TRP A 0 78 . 9.574 -15.041 -0.339 1.00 54.45 78 A 1 ATOM 656 C CD1 . TRP A 0 78 . 9.136 -16.077 -1.099 1.00 54.45 78 A 1 ATOM 657 C CD2 . TRP A 0 78 . 10.973 -15.351 -0.050 1.00 54.45 78 A 1 ATOM 658 C CE2 . TRP A 0 78 . 11.298 -16.602 -0.657 1.00 54.45 78 A 1 ATOM 659 C CE3 . TRP A 0 78 . 12.005 -14.697 0.656 1.00 54.45 78 A 1 ATOM 660 N NE1 . TRP A 0 78 . 10.141 -17.001 -1.276 1.00 54.45 78 A 1 ATOM 661 C CH2 . TRP A 0 78 . 13.574 -16.501 0.137 1.00 54.45 78 A 1 ATOM 662 C CZ2 . TRP A 0 78 . 12.570 -17.180 -0.571 1.00 54.45 78 A 1 ATOM 663 C CZ3 . TRP A 0 78 . 13.291 -15.265 0.746 1.00 54.45 78 A 1 ATOM 664 N N . SER A 0 79 . 5.669 -12.252 0.791 1.00 57.42 79 A 1 ATOM 665 C CA . SER A 0 79 . 5.104 -11.093 1.504 1.00 57.42 79 A 1 ATOM 666 C C . SER A 0 79 . 4.048 -11.461 2.552 1.00 57.42 79 A 1 ATOM 667 C CB . SER A 0 79 . 4.548 -10.068 0.514 1.00 57.42 79 A 1 ATOM 668 O O . SER A 0 79 . 3.875 -10.717 3.514 1.00 57.42 79 A 1 ATOM 669 O OG . SER A 0 79 . 4.334 -8.832 1.166 1.00 57.42 79 A 1 ATOM 670 N N . TYR A 0 80 . 3.371 -12.607 2.418 1.00 51.74 80 A 1 ATOM 671 C CA . TYR A 0 80 . 2.277 -12.978 3.329 1.00 51.74 80 A 1 ATOM 672 C C . TYR A 0 80 . 2.756 -13.500 4.696 1.00 51.74 80 A 1 ATOM 673 C CB . TYR A 0 80 . 1.325 -13.958 2.626 1.00 51.74 80 A 1 ATOM 674 O O . TYR A 0 80 . 1.991 -13.526 5.653 1.00 51.74 80 A 1 ATOM 675 C CG . TYR A 0 80 . -0.135 -13.630 2.863 1.00 51.74 80 A 1 ATOM 676 C CD1 . TYR A 0 80 . -0.844 -14.239 3.917 1.00 51.74 80 A 1 ATOM 677 C CD2 . TYR A 0 80 . -0.776 -12.680 2.042 1.00 51.74 80 A 1 ATOM 678 C CE1 . TYR A 0 80 . -2.196 -13.912 4.142 1.00 51.74 80 A 1 ATOM 679 C CE2 . TYR A 0 80 . -2.125 -12.349 2.266 1.00 51.74 80 A 1 ATOM 680 O OH . TYR A 0 80 . -4.138 -12.634 3.522 1.00 51.74 80 A 1 ATOM 681 C CZ . TYR A 0 80 . -2.838 -12.964 3.314 1.00 51.74 80 A 1 ATOM 682 N N . VAL A 0 81 . 4.037 -13.864 4.819 1.00 55.69 81 A 1 ATOM 683 C CA . VAL A 0 81 . 4.626 -14.334 6.088 1.00 55.69 81 A 1 ATOM 684 C C . VAL A 0 81 . 5.071 -13.166 6.981 1.00 55.69 81 A 1 ATOM 685 C CB . VAL A 0 81 . 5.758 -15.347 5.806 1.00 55.69 81 A 1 ATOM 686 O O . VAL A 0 81 . 5.185 -13.324 8.192 1.00 55.69 81 A 1 ATOM 687 C CG1 . VAL A 0 81 . 6.413 -15.901 7.077 1.00 55.69 81 A 1 ATOM 688 C CG2 . VAL A 0 81 . 5.215 -16.553 5.020 1.00 55.69 81 A 1 ATOM 689 N N . PHE A 0 82 . 5.258 -11.963 6.428 1.00 54.36 82 A 1 ATOM 690 C CA . PHE A 0 82 . 5.783 -10.824 7.191 1.00 54.36 82 A 1 ATOM 691 C C . PHE A 0 82 . 4.712 -10.056 7.989 1.00 54.36 82 A 1 ATOM 692 C CB . PHE A 0 82 . 6.582 -9.915 6.246 1.00 54.36 82 A 1 ATOM 693 O O . PHE A 0 82 . 5.044 -9.330 8.918 1.00 54.36 82 A 1 ATOM 694 C CG . PHE A 0 82 . 7.682 -9.148 6.953 1.00 54.36 82 A 1 ATOM 695 C CD1 . PHE A 0 82 . 7.481 -7.816 7.358 1.00 54.36 82 A 1 ATOM 696 C CD2 . PHE A 0 82 . 8.903 -9.788 7.242 1.00 54.36 82 A 1 ATOM 697 C CE1 . PHE A 0 82 . 8.498 -7.126 8.043 1.00 54.36 82 A 1 ATOM 698 C CE2 . PHE A 0 82 . 9.918 -9.101 7.931 1.00 54.36 82 A 1 ATOM 699 C CZ . PHE A 0 82 . 9.715 -7.769 8.331 1.00 54.36 82 A 1 ATOM 700 N N . LEU A 0 83 . 3.426 -10.235 7.667 1.00 58.88 83 A 1 ATOM 701 C CA . LEU A 0 83 . 2.317 -9.528 8.326 1.00 58.88 83 A 1 ATOM 702 C C . LEU A 0 83 . 1.707 -10.284 9.521 1.00 58.88 83 A 1 ATOM 703 C CB . LEU A 0 83 . 1.272 -9.149 7.258 1.00 58.88 83 A 1 ATOM 704 O O . LEU A 0 83 . 0.905 -9.707 10.246 1.00 58.88 83 A 1 ATOM 705 C CG . LEU A 0 83 . 1.663 -7.878 6.477 1.00 58.88 83 A 1 ATOM 706 C CD1 . LEU A 0 83 . 0.935 -7.825 5.135 1.00 58.88 83 A 1 ATOM 707 C CD2 . LEU A 0 83 . 1.314 -6.610 7.261 1.00 58.88 83 A 1 ATOM 708 N N . VAL A 0 84 . 2.094 -11.544 9.760 1.00 60.17 84 A 1 ATOM 709 C CA . VAL A 0 84 . 1.483 -12.400 10.802 1.00 60.17 84 A 1 ATOM 710 C C . VAL A 0 84 . 2.332 -12.507 12.085 1.00 60.17 84 A 1 ATOM 711 C CB . VAL A 0 84 . 1.083 -13.766 10.195 1.00 60.17 84 A 1 ATOM 712 O O . VAL A 0 84 . 1.813 -12.885 13.129 1.00 60.17 84 A 1 ATOM 713 C CG1 . VAL A 0 84 . 0.437 -14.731 11.198 1.00 60.17 84 A 1 ATOM 714 C CG2 . VAL A 0 84 . 0.065 -13.567 9.057 1.00 60.17 84 A 1 ATOM 715 N N . CYS A 0 85 . 3.605 -12.097 12.075 1.00 44.63 85 A 1 ATOM 716 C CA . CYS A 0 85 . 4.470 -12.131 13.266 1.00 44.63 85 A 1 ATOM 717 C C . CYS A 0 85 . 5.265 -10.821 13.434 1.00 44.63 85 A 1 ATOM 718 C CB . CYS A 0 85 . 5.410 -13.348 13.181 1.00 44.63 85 A 1 ATOM 719 O O . CYS A 0 85 . 6.310 -10.664 12.802 1.00 44.63 85 A 1 ATOM 720 S SG . CYS A 0 85 . 4.763 -14.734 14.160 1.00 44.63 85 A 1 ATOM 721 N N . PRO A 0 86 . 4.846 -9.891 14.315 1.00 48.00 86 A 1 ATOM 722 C CA . PRO A 0 86 . 5.514 -8.598 14.501 1.00 48.00 86 A 1 ATOM 723 C C . PRO A 0 86 . 6.773 -8.646 15.395 1.00 48.00 86 A 1 ATOM 724 C CB . PRO A 0 86 . 4.413 -7.662 15.014 1.00 48.00 86 A 1 ATOM 725 O O . PRO A 0 86 . 7.207 -7.619 15.911 1.00 48.00 86 A 1 ATOM 726 C CG . PRO A 0 86 . 3.494 -8.590 15.804 1.00 48.00 86 A 1 ATOM 727 C CD . PRO A 0 86 . 3.595 -9.923 15.065 1.00 48.00 86 A 1 ATOM 728 N N . THR A 0 87 . 7.399 -9.809 15.595 1.00 58.68 87 A 1 ATOM 729 C CA . THR A 0 87 . 8.471 -9.988 16.593 1.00 58.68 87 A 1 ATOM 730 C C . THR A 0 87 . 9.622 -10.869 16.104 1.00 58.68 87 A 1 ATOM 731 C CB . THR A 0 87 . 7.907 -10.485 17.939 1.00 58.68 87 A 1 ATOM 732 O O . THR A 0 87 . 10.087 -11.751 16.816 1.00 58.68 87 A 1 ATOM 733 C CG2 . THR A 0 87 . 7.140 -9.395 18.687 1.00 58.68 87 A 1 ATOM 734 O OG1 . THR A 0 87 . 7.018 -11.556 17.720 1.00 58.68 87 A 1 ATOM 735 N N . VAL A 0 88 . 10.159 -10.621 14.903 1.00 58.11 88 A 1 ATOM 736 C CA . VAL A 0 88 . 11.481 -11.161 14.532 1.00 58.11 88 A 1 ATOM 737 C C . VAL A 0 88 . 12.370 -10.073 13.931 1.00 58.11 88 A 1 ATOM 738 C CB . VAL A 0 88 . 11.428 -12.454 13.688 1.00 58.11 88 A 1 ATOM 739 O O . VAL A 0 88 . 12.471 -9.878 12.728 1.00 58.11 88 A 1 ATOM 740 C CG1 . VAL A 0 88 . 12.821 -13.107 13.647 1.00 58.11 88 A 1 ATOM 741 C CG2 . VAL A 0 88 . 10.474 -13.509 14.269 1.00 58.11 88 A 1 ATOM 742 N N . SER A 0 89 . 13.081 -9.418 14.848 1.00 48.73 89 A 1 ATOM 743 C CA . SER A 0 89 . 14.500 -9.080 14.721 1.00 48.73 89 A 1 ATOM 744 C C . SER A 0 89 . 14.907 -8.080 13.630 1.00 48.73 89 A 1 ATOM 745 C CB . SER A 0 89 . 15.301 -10.381 14.643 1.00 48.73 89 A 1 ATOM 746 O O . SER A 0 89 . 15.290 -8.418 12.510 1.00 48.73 89 A 1 ATOM 747 O OG . SER A 0 89 . 16.641 -10.160 15.033 1.00 48.73 89 A 1 ATOM 748 N N . ALA A 0 90 . 15.016 -6.822 14.059 1.00 53.92 90 A 1 ATOM 749 C CA . ALA A 0 90 . 15.690 -5.706 13.395 1.00 53.92 90 A 1 ATOM 750 C C . ALA A 0 90 . 17.221 -5.895 13.180 1.00 53.92 90 A 1 ATOM 751 C CB . ALA A 0 90 . 15.360 -4.449 14.219 1.00 53.92 90 A 1 ATOM 752 O O . ALA A 0 90 . 17.977 -4.926 13.199 1.00 53.92 90 A 1 ATOM 753 N N . LYS A 0 91 . 17.720 -7.122 12.955 1.00 55.49 91 A 1 ATOM 754 C CA . LYS A 0 91 . 19.162 -7.435 12.822 1.00 55.49 91 A 1 ATOM 755 C C . LYS A 0 91 . 19.584 -8.102 11.504 1.00 55.49 91 A 1 ATOM 756 C CB . LYS A 0 91 . 19.653 -8.188 14.080 1.00 55.49 91 A 1 ATOM 757 O O . LYS A 0 91 . 20.747 -8.471 11.359 1.00 55.49 91 A 1 ATOM 758 C CG . LYS A 0 91 . 20.571 -7.298 14.934 1.00 55.49 91 A 1 ATOM 759 C CD . LYS A 0 91 . 21.054 -8.023 16.200 1.00 55.49 91 A 1 ATOM 760 C CE . LYS A 0 91 . 21.946 -7.095 17.039 1.00 55.49 91 A 1 ATOM 761 N NZ . LYS A 0 91 . 22.384 -7.732 18.310 1.00 55.49 91 A 1 ATOM 762 N N . GLN A 0 92 . 18.700 -8.204 10.506 1.00 54.50 92 A 1 ATOM 763 C CA . GLN A 0 92 . 19.005 -8.882 9.230 1.00 54.50 92 A 1 ATOM 764 C C . GLN A 0 92 . 19.344 -7.939 8.055 1.00 54.50 92 A 1 ATOM 765 C CB . GLN A 0 92 . 17.886 -9.891 8.932 1.00 54.50 92 A 1 ATOM 766 O O . GLN A 0 92 . 19.722 -8.401 6.980 1.00 54.50 92 A 1 ATOM 767 C CG . GLN A 0 92 . 18.297 -10.972 7.911 1.00 54.50 92 A 1 ATOM 768 C CD . GLN A 0 92 . 17.484 -12.259 8.033 1.00 54.50 92 A 1 ATOM 769 N NE2 . GLN A 0 92 . 17.568 -13.156 7.077 1.00 54.50 92 A 1 ATOM 770 O OE1 . GLN A 0 92 . 16.799 -12.509 9.005 1.00 54.50 92 A 1 ATOM 771 N N . LYS A 0 93 . 19.307 -6.613 8.257 1.00 53.19 93 A 1 ATOM 772 C CA . LYS A 0 93 . 19.553 -5.622 7.189 1.00 53.19 93 A 1 ATOM 773 C C . LYS A 0 93 . 21.040 -5.335 6.895 1.00 53.19 93 A 1 ATOM 774 C CB . LYS A 0 93 . 18.690 -4.369 7.450 1.00 53.19 93 A 1 ATOM 775 O O . LYS A 0 93 . 21.347 -4.758 5.861 1.00 53.19 93 A 1 ATOM 776 C CG . LYS A 0 93 . 18.490 -3.506 6.188 1.00 53.19 93 A 1 ATOM 777 C CD . LYS A 0 93 . 17.225 -2.635 6.279 1.00 53.19 93 A 1 ATOM 778 C CE . LYS A 0 93 . 17.035 -1.827 4.986 1.00 53.19 93 A 1 ATOM 779 N NZ . LYS A 0 93 . 15.778 -1.031 5.000 1.00 53.19 93 A 1 ATOM 780 N N . GLN A 0 94 . 21.979 -5.809 7.723 1.00 54.87 94 A 1 ATOM 781 C CA . GLN A 0 94 . 23.431 -5.660 7.486 1.00 54.87 94 A 1 ATOM 782 C C . GLN A 0 94 . 24.133 -6.900 6.897 1.00 54.87 94 A 1 ATOM 783 C CB . GLN A 0 94 . 24.134 -5.195 8.772 1.00 54.87 94 A 1 ATOM 784 O O . GLN A 0 94 . 25.315 -6.828 6.564 1.00 54.87 94 A 1 ATOM 785 C CG . GLN A 0 94 . 24.126 -3.665 8.936 1.00 54.87 94 A 1 ATOM 786 C CD . GLN A 0 94 . 25.039 -3.213 10.075 1.00 54.87 94 A 1 ATOM 787 N NE2 . GLN A 0 94 . 25.361 -1.942 10.161 1.00 54.87 94 A 1 ATOM 788 O OE1 . GLN A 0 94 . 25.481 -4.000 10.897 1.00 54.87 94 A 1 ATOM 789 N N . ARG A 0 95 . 23.453 -8.046 6.742 1.00 52.64 95 A 1 ATOM 790 C CA . ARG A 0 95 . 24.082 -9.262 6.178 1.00 52.64 95 A 1 ATOM 791 C C . ARG A 0 95 . 23.971 -9.371 4.653 1.00 52.64 95 A 1 ATOM 792 C CB . ARG A 0 95 . 23.608 -10.522 6.924 1.00 52.64 95 A 1 ATOM 793 O O . ARG A 0 95 . 24.845 -9.975 4.046 1.00 52.64 95 A 1 ATOM 794 C CG . ARG A 0 95 . 24.391 -10.714 8.238 1.00 52.64 95 A 1 ATOM 795 C CD . ARG A 0 95 . 23.974 -12.006 8.958 1.00 52.64 95 A 1 ATOM 796 N NE . ARG A 0 95 . 24.916 -12.369 10.040 1.00 52.64 95 A 1 ATOM 797 N NH1 . ARG A 0 95 . 23.660 -14.050 10.986 1.00 52.64 95 A 1 ATOM 798 N NH2 . ARG A 0 95 . 25.695 -13.627 11.782 1.00 52.64 95 A 1 ATOM 799 C CZ . ARG A 0 95 . 24.752 -13.339 10.928 1.00 52.64 95 A 1 ATOM 800 N N . SER A 0 96 . 22.996 -8.710 4.023 1.00 52.16 96 A 1 ATOM 801 C CA . SER A 0 96 . 22.848 -8.717 2.555 1.00 52.16 96 A 1 ATOM 802 C C . SER A 0 96 . 23.941 -7.924 1.825 1.00 52.16 96 A 1 ATOM 803 C CB . SER A 0 96 . 21.475 -8.168 2.167 1.00 52.16 96 A 1 ATOM 804 O O . SER A 0 96 . 24.309 -8.284 0.713 1.00 52.16 96 A 1 ATOM 805 O OG . SER A 0 96 . 21.231 -8.354 0.792 1.00 52.16 96 A 1 ATOM 806 N N . LEU A 0 97 . 24.501 -6.881 2.447 1.00 52.36 97 A 1 ATOM 807 C CA . LEU A 0 97 . 25.599 -6.104 1.858 1.00 52.36 97 A 1 ATOM 808 C C . LEU A 0 97 . 26.968 -6.778 2.023 1.00 52.36 97 A 1 ATOM 809 C CB . LEU A 0 97 . 25.578 -4.671 2.424 1.00 52.36 97 A 1 ATOM 810 O O . LEU A 0 97 . 27.906 -6.399 1.340 1.00 52.36 97 A 1 ATOM 811 C CG . LEU A 0 97 . 24.510 -3.779 1.761 1.00 52.36 97 A 1 ATOM 812 C CD1 . LEU A 0 97 . 24.245 -2.547 2.626 1.00 52.36 97 A 1 ATOM 813 C CD2 . LEU A 0 97 . 24.945 -3.306 0.372 1.00 52.36 97 A 1 ATOM 814 N N . ARG A 0 98 . 27.105 -7.814 2.862 1.00 53.62 98 A 1 ATOM 815 C CA . ARG A 0 98 . 28.381 -8.538 3.004 1.00 53.62 98 A 1 ATOM 816 C C . ARG A 0 98 . 28.623 -9.595 1.925 1.00 53.62 98 A 1 ATOM 817 C CB . ARG A 0 98 . 28.535 -9.103 4.427 1.00 53.62 98 A 1 ATOM 818 O O . ARG A 0 98 . 29.768 -9.957 1.701 1.00 53.62 98 A 1 ATOM 819 C CG . ARG A 0 98 . 29.547 -8.257 5.213 1.00 53.62 98 A 1 ATOM 820 C CD . ARG A 0 98 . 29.928 -8.895 6.553 1.00 53.62 98 A 1 ATOM 821 N NE . ARG A 0 98 . 28.967 -8.584 7.631 1.00 53.62 98 A 1 ATOM 822 N NH1 . ARG A 0 98 . 29.961 -9.899 9.228 1.00 53.62 98 A 1 ATOM 823 N NH2 . ARG A 0 98 . 28.322 -8.494 9.814 1.00 53.62 98 A 1 ATOM 824 C CZ . ARG A 0 98 . 29.083 -8.997 8.880 1.00 53.62 98 A 1 ATOM 825 N N . ILE A 0 99 . 27.576 -10.061 1.244 1.00 58.91 99 A 1 ATOM 826 C CA . ILE A 0 99 . 27.700 -11.074 0.182 1.00 58.91 99 A 1 ATOM 827 C C . ILE A 0 99 . 27.996 -10.411 -1.175 1.00 58.91 99 A 1 ATOM 828 C CB . ILE A 0 99 . 26.460 -12.001 0.185 1.00 58.91 99 A 1 ATOM 829 O O . ILE A 0 99 . 28.755 -10.954 -1.969 1.00 58.91 99 A 1 ATOM 830 C CG1 . ILE A 0 99 . 26.333 -12.704 1.563 1.00 58.91 99 A 1 ATOM 831 C CG2 . ILE A 0 99 . 26.551 -13.046 -0.942 1.00 58.91 99 A 1 ATOM 832 C CD1 . ILE A 0 99 . 25.060 -13.539 1.743 1.00 58.91 99 A 1 ATOM 833 N N . ALA A 0 100 . 27.496 -9.193 -1.413 1.00 57.61 100 A 1 ATOM 834 C CA . ALA A 0 100 . 27.741 -8.462 -2.660 1.00 57.61 100 A 1 ATOM 835 C C . ALA A 0 100 . 29.189 -7.946 -2.806 1.00 57.61 100 A 1 ATOM 836 C CB . ALA A 0 100 . 26.719 -7.324 -2.748 1.00 57.61 100 A 1 ATOM 837 O O . ALA A 0 100 . 29.693 -7.859 -3.918 1.00 57.61 100 A 1 ATOM 838 N N . TYR A 0 101 . 29.883 -7.665 -1.698 1.00 55.94 101 A 1 ATOM 839 C CA . TYR A 0 101 . 31.279 -7.198 -1.721 1.00 55.94 101 A 1 ATOM 840 C C . TYR A 0 101 . 32.321 -8.323 -1.824 1.00 55.94 101 A 1 ATOM 841 C CB . TYR A 0 101 . 31.534 -6.281 -0.515 1.00 55.94 101 A 1 ATOM 842 O O . TYR A 0 101 . 33.500 -8.034 -1.983 1.00 55.94 101 A 1 ATOM 843 C CG . TYR A 0 101 . 31.136 -4.839 -0.769 1.00 55.94 101 A 1 ATOM 844 C CD1 . TYR A 0 101 . 32.083 -3.934 -1.286 1.00 55.94 101 A 1 ATOM 845 C CD2 . TYR A 0 101 . 29.821 -4.405 -0.524 1.00 55.94 101 A 1 ATOM 846 C CE1 . TYR A 0 101 . 31.721 -2.595 -1.533 1.00 55.94 101 A 1 ATOM 847 C CE2 . TYR A 0 101 . 29.456 -3.067 -0.755 1.00 55.94 101 A 1 ATOM 848 O OH . TYR A 0 101 . 30.046 -0.870 -1.487 1.00 55.94 101 A 1 ATOM 849 C CZ . TYR A 0 101 . 30.406 -2.159 -1.259 1.00 55.94 101 A 1 ATOM 850 N N . SER A 0 102 . 31.912 -9.597 -1.766 1.00 56.62 102 A 1 ATOM 851 C CA . SER A 0 102 . 32.834 -10.741 -1.857 1.00 56.62 102 A 1 ATOM 852 C C . SER A 0 102 . 32.879 -11.392 -3.247 1.00 56.62 102 A 1 ATOM 853 C CB . SER A 0 102 . 32.485 -11.771 -0.780 1.00 56.62 102 A 1 ATOM 854 O O . SER A 0 102 . 33.657 -12.318 -3.445 1.00 56.62 102 A 1 ATOM 855 O OG . SER A 0 102 . 33.587 -12.616 -0.536 1.00 56.62 102 A 1 ATOM 856 N N . ILE A 0 103 . 32.045 -10.937 -4.191 1.00 58.56 103 A 1 ATOM 857 C CA . ILE A 0 103 . 31.947 -11.473 -5.567 1.00 58.56 103 A 1 ATOM 858 C C . ILE A 0 103 . 32.474 -10.447 -6.600 1.00 58.56 103 A 1 ATOM 859 C CB . ILE A 0 103 . 30.493 -11.970 -5.834 1.00 58.56 103 A 1 ATOM 860 O O . ILE A 0 103 . 32.527 -10.729 -7.790 1.00 58.56 103 A 1 ATOM 861 C CG1 . ILE A 0 103 . 30.048 -13.015 -4.774 1.00 58.56 103 A 1 ATOM 862 C CG2 . ILE A 0 103 . 30.324 -12.595 -7.236 1.00 58.56 103 A 1 ATOM 863 C CD1 . ILE A 0 103 . 28.541 -13.307 -4.757 1.00 58.56 103 A 1 ATOM 864 N N . GLY A 0 104 . 32.880 -9.252 -6.152 1.00 55.24 104 A 1 ATOM 865 C CA . GLY A 0 104 . 33.338 -8.149 -7.009 1.00 55.24 104 A 1 ATOM 866 C C . GLY A 0 104 . 34.730 -7.606 -6.678 1.00 55.24 104 A 1 ATOM 867 O O . GLY A 0 104 . 35.003 -6.455 -7.010 1.00 55.24 104 A 1 ATOM 868 N N . SER A 0 105 . 35.561 -8.398 -5.993 1.00 49.98 105 A 1 ATOM 869 C CA . SER A 0 105 . 36.995 -8.134 -5.808 1.00 49.98 105 A 1 ATOM 870 C C . SER A 0 105 . 37.808 -9.019 -6.741 1.00 49.98 105 A 1 ATOM 871 C CB . SER A 0 105 . 37.402 -8.380 -4.361 1.00 49.98 105 A 1 ATOM 872 O O . SER A 0 105 . 38.919 -8.576 -7.095 1.00 49.98 105 A 1 ATOM 873 O OG . SER A 0 105 . 38.611 -7.694 -4.155 1.00 49.98 105 A 1 ATOM 874 O OXT . SER A 0 105 . 37.306 -10.132 -7.009 1.00 49.98 105 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 60.71 # loop_ _atom_type.symbol C N O S #