data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 ILE 0 3 GLY 0 4 LEU 0 5 LYS 0 6 GLY 0 7 ILE 0 8 LEU 0 9 LYS 0 10 VAL 0 11 ILE 0 12 ASP 0 13 ASN 0 14 SER 0 15 GLY 0 16 ALA 0 17 THR 0 18 LEU 0 19 ALA 0 20 GLU 0 21 CYS 0 22 ILE 0 23 ARG 0 24 VAL 0 25 VAL 0 26 ARG 0 27 ALA 0 28 GLY 0 29 LYS 0 30 PHE 0 31 ALA 0 32 SER 0 33 LEU 0 34 GLY 0 35 ASP 0 36 GLU 0 37 VAL 0 38 VAL 0 39 VAL 0 40 VAL 0 41 VAL 0 42 LYS 0 43 LYS 0 44 ALA 0 45 ARG 0 46 SER 0 47 GLY 0 48 SER 0 49 SER 0 50 VAL 0 51 THR 0 52 ALA 0 53 ALA 0 54 ASN 0 55 LYS 0 56 VAL 0 57 LYS 0 58 ARG 0 59 GLY 0 60 ASP 0 61 ILE 0 62 HIS 0 63 HIS 0 64 ALA 0 65 ILE 0 66 ILE 0 67 VAL 0 68 ARG 0 69 THR 0 70 LYS 0 71 SER 0 72 PRO 0 73 VAL 0 74 ARG 0 75 ARG 0 76 PRO 0 77 ASP 0 78 GLY 0 79 ARG 0 80 TYR 0 81 VAL 0 82 ARG 0 83 PHE 0 84 ASP 0 85 ASP 0 86 ASN 0 87 ALA 0 88 CYS 0 89 VAL 0 90 LEU 0 91 VAL 0 92 ASN 0 93 LYS 0 94 GLU 0 95 CYS 0 96 GLU 0 97 PRO 0 98 LEU 0 99 GLY 0 100 THR 0 101 ARG 0 102 ILE 0 103 LEU 0 104 SER 0 105 VAL 0 106 VAL 0 107 ALA 0 108 ASN 0 109 GLU 0 110 LEU 0 111 ARG 0 112 THR 0 113 LYS 0 114 HIS 0 115 HIS 0 116 THR 0 117 LYS 0 118 ILE 0 119 ALA 0 120 SER 0 121 LEU 0 122 ALA 0 123 PRO 0 124 ARG 0 125 THR 0 126 ILE # 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 . -6.135 -8.176 9.058 1.00 92.67 1 A 1 ATOM 2 C CA . MET A 0 1 . -5.502 -7.827 10.343 1.00 92.67 1 A 1 ATOM 3 C C . MET A 0 1 . -3.997 -8.055 10.278 1.00 92.67 1 A 1 ATOM 4 C CB . MET A 0 1 . -6.132 -8.629 11.485 1.00 92.67 1 A 1 ATOM 5 O O . MET A 0 1 . -3.579 -9.150 9.913 1.00 92.67 1 A 1 ATOM 6 C CG . MET A 0 1 . -5.754 -8.007 12.823 1.00 92.67 1 A 1 ATOM 7 S SD . MET A 0 1 . -6.479 -8.804 14.270 1.00 92.67 1 A 1 ATOM 8 C CE . MET A 0 1 . -8.221 -8.333 14.093 1.00 92.67 1 A 1 ATOM 9 N N . ILE A 0 2 . -3.213 -7.026 10.601 1.00 97.32 2 A 1 ATOM 10 C CA . ILE A 0 2 . -1.747 -6.975 10.552 1.00 97.32 2 A 1 ATOM 11 C C . ILE A 0 2 . -1.239 -6.499 11.912 1.00 97.32 2 A 1 ATOM 12 C CB . ILE A 0 2 . -1.276 -5.998 9.447 1.00 97.32 2 A 1 ATOM 13 O O . ILE A 0 2 . -1.624 -5.426 12.366 1.00 97.32 2 A 1 ATOM 14 C CG1 . ILE A 0 2 . -1.901 -6.293 8.069 1.00 97.32 2 A 1 ATOM 15 C CG2 . ILE A 0 2 . 0.260 -5.960 9.353 1.00 97.32 2 A 1 ATOM 16 C CD1 . ILE A 0 2 . -1.630 -7.689 7.508 1.00 97.32 2 A 1 ATOM 17 N N . GLY A 0 3 . -0.390 -7.292 12.561 1.00 96.97 3 A 1 ATOM 18 C CA . GLY A 0 3 . 0.284 -6.918 13.807 1.00 96.97 3 A 1 ATOM 19 C C . GLY A 0 3 . 1.757 -6.576 13.593 1.00 96.97 3 A 1 ATOM 20 O O . GLY A 0 3 . 2.266 -6.616 12.469 1.00 96.97 3 A 1 ATOM 21 N N . LEU A 0 4 . 2.448 -6.284 14.697 1.00 97.51 4 A 1 ATOM 22 C CA . LEU A 0 4 . 3.905 -6.132 14.717 1.00 97.51 4 A 1 ATOM 23 C C . LEU A 0 4 . 4.599 -7.388 14.174 1.00 97.51 4 A 1 ATOM 24 C CB . LEU A 0 4 . 4.388 -5.843 16.150 1.00 97.51 4 A 1 ATOM 25 O O . LEU A 0 4 . 4.107 -8.503 14.351 1.00 97.51 4 A 1 ATOM 26 C CG . LEU A 0 4 . 3.827 -4.556 16.781 1.00 97.51 4 A 1 ATOM 27 C CD1 . LEU A 0 4 . 4.421 -4.376 18.177 1.00 97.51 4 A 1 ATOM 28 C CD2 . LEU A 0 4 . 4.167 -3.323 15.949 1.00 97.51 4 A 1 ATOM 29 N N . LYS A 0 5 . 5.738 -7.192 13.501 1.00 97.46 5 A 1 ATOM 30 C CA . LYS A 0 5 . 6.489 -8.212 12.747 1.00 97.46 5 A 1 ATOM 31 C C . LYS A 0 5 . 5.721 -8.840 11.574 1.00 97.46 5 A 1 ATOM 32 C CB . LYS A 0 5 . 7.086 -9.277 13.684 1.00 97.46 5 A 1 ATOM 33 O O . LYS A 0 5 . 6.236 -9.732 10.901 1.00 97.46 5 A 1 ATOM 34 C CG . LYS A 0 5 . 7.938 -8.683 14.817 1.00 97.46 5 A 1 ATOM 35 C CD . LYS A 0 5 . 8.585 -9.808 15.633 1.00 97.46 5 A 1 ATOM 36 C CE . LYS A 0 5 . 9.507 -9.215 16.703 1.00 97.46 5 A 1 ATOM 37 N NZ . LYS A 0 5 . 10.142 -10.275 17.529 1.00 97.46 5 A 1 ATOM 38 N N . GLY A 0 6 . 4.499 -8.382 11.289 1.00 98.14 6 A 1 ATOM 39 C CA . GLY A 0 6 . 3.724 -8.834 10.141 1.00 98.14 6 A 1 ATOM 40 C C . GLY A 0 6 . 4.411 -8.462 8.827 1.00 98.14 6 A 1 ATOM 41 O O . GLY A 0 6 . 4.760 -7.301 8.615 1.00 98.14 6 A 1 ATOM 42 N N . ILE A 0 7 . 4.581 -9.438 7.934 1.00 98.37 7 A 1 ATOM 43 C CA . ILE A 0 7 . 5.174 -9.225 6.610 1.00 98.37 7 A 1 ATOM 44 C C . ILE A 0 7 . 4.091 -8.839 5.599 1.00 98.37 7 A 1 ATOM 45 C CB . ILE A 0 7 . 6.004 -10.446 6.155 1.00 98.37 7 A 1 ATOM 46 O O . ILE A 0 7 . 3.049 -9.492 5.488 1.00 98.37 7 A 1 ATOM 47 C CG1 . ILE A 0 7 . 7.112 -10.825 7.166 1.00 98.37 7 A 1 ATOM 48 C CG2 . ILE A 0 7 . 6.619 -10.210 4.762 1.00 98.37 7 A 1 ATOM 49 C CD1 . ILE A 0 7 . 8.155 -9.732 7.444 1.00 98.37 7 A 1 ATOM 50 N N . LEU A 0 8 . 4.373 -7.781 4.847 1.00 98.66 8 A 1 ATOM 51 C CA . LEU A 0 8 . 3.524 -7.195 3.822 1.00 98.66 8 A 1 ATOM 52 C C . LEU A 0 8 . 4.263 -7.218 2.484 1.00 98.66 8 A 1 ATOM 53 C CB . LEU A 0 8 . 3.174 -5.749 4.225 1.00 98.66 8 A 1 ATOM 54 O O . LEU A 0 8 . 5.437 -6.839 2.403 1.00 98.66 8 A 1 ATOM 55 C CG . LEU A 0 8 . 2.452 -5.611 5.578 1.00 98.66 8 A 1 ATOM 56 C CD1 . LEU A 0 8 . 2.291 -4.149 5.976 1.00 98.66 8 A 1 ATOM 57 C CD2 . LEU A 0 8 . 1.072 -6.249 5.512 1.00 98.66 8 A 1 ATOM 58 N N . LYS A 0 9 . 3.575 -7.629 1.417 1.00 98.46 9 A 1 ATOM 59 C CA . LYS A 0 9 . 4.065 -7.376 0.060 1.00 98.46 9 A 1 ATOM 60 C C . LYS A 0 9 . 3.890 -5.900 -0.268 1.00 98.46 9 A 1 ATOM 61 C CB . LYS A 0 9 . 3.345 -8.237 -0.979 1.00 98.46 9 A 1 ATOM 62 O O . LYS A 0 9 . 2.804 -5.356 -0.086 1.00 98.46 9 A 1 ATOM 63 C CG . LYS A 0 9 . 3.655 -9.732 -0.829 1.00 98.46 9 A 1 ATOM 64 C CD . LYS A 0 9 . 3.179 -10.458 -2.091 1.00 98.46 9 A 1 ATOM 65 C CE . LYS A 0 9 . 3.076 -11.973 -1.885 1.00 98.46 9 A 1 ATOM 66 N NZ . LYS A 0 9 . 2.101 -12.551 -2.844 1.00 98.46 9 A 1 ATOM 67 N N . VAL A 0 10 . 4.932 -5.274 -0.797 1.00 98.34 10 A 1 ATOM 68 C CA . VAL A 0 10 . 4.819 -3.914 -1.329 1.00 98.34 10 A 1 ATOM 69 C C . VAL A 0 10 . 4.375 -4.017 -2.782 1.00 98.34 10 A 1 ATOM 70 C CB . VAL A 0 10 . 6.119 -3.119 -1.166 1.00 98.34 10 A 1 ATOM 71 O O . VAL A 0 10 . 5.070 -4.626 -3.597 1.00 98.34 10 A 1 ATOM 72 C CG1 . VAL A 0 10 . 5.913 -1.697 -1.693 1.00 98.34 10 A 1 ATOM 73 C CG2 . VAL A 0 10 . 6.529 -3.053 0.311 1.00 98.34 10 A 1 ATOM 74 N N . ILE A 0 11 . 3.201 -3.467 -3.094 1.00 98.13 11 A 1 ATOM 75 C CA . ILE A 0 11 . 2.581 -3.592 -4.424 1.00 98.13 11 A 1 ATOM 76 C C . ILE A 0 11 . 2.597 -2.288 -5.225 1.00 98.13 11 A 1 ATOM 77 C CB . ILE A 0 11 . 1.195 -4.263 -4.369 1.00 98.13 11 A 1 ATOM 78 O O . ILE A 0 11 . 1.783 -2.102 -6.125 1.00 98.13 11 A 1 ATOM 79 C CG1 . ILE A 0 11 . 0.162 -3.425 -3.589 1.00 98.13 11 A 1 ATOM 80 C CG2 . ILE A 0 11 . 1.314 -5.697 -3.823 1.00 98.13 11 A 1 ATOM 81 C CD1 . ILE A 0 11 . -1.266 -3.876 -3.920 1.00 98.13 11 A 1 ATOM 82 N N . ASP A 0 12 . 3.538 -1.398 -4.930 1.00 96.99 12 A 1 ATOM 83 C CA . ASP A 0 12 . 3.836 -0.225 -5.747 1.00 96.99 12 A 1 ATOM 84 C C . ASP A 0 12 . 5.150 -0.398 -6.537 1.00 96.99 12 A 1 ATOM 85 C CB . ASP A 0 12 . 3.776 1.045 -4.876 1.00 96.99 12 A 1 ATOM 86 O O . ASP A 0 12 . 5.863 -1.410 -6.452 1.00 96.99 12 A 1 ATOM 87 C CG . ASP A 0 12 . 4.885 1.145 -3.827 1.00 96.99 12 A 1 ATOM 88 O OD1 . ASP A 0 12 . 5.991 0.617 -4.079 1.00 96.99 12 A 1 ATOM 89 O OD2 . ASP A 0 12 . 4.660 1.785 -2.784 1.00 96.99 12 A 1 ATOM 90 N N . ASN A 0 13 . 5.473 0.601 -7.353 1.00 95.12 13 A 1 ATOM 91 C CA . ASN A 0 13 . 6.728 0.674 -8.097 1.00 95.12 13 A 1 ATOM 92 C C . ASN A 0 13 . 7.830 1.487 -7.390 1.00 95.12 13 A 1 ATOM 93 C CB . ASN A 0 13 . 6.448 1.177 -9.521 1.00 95.12 13 A 1 ATOM 94 O O . ASN A 0 13 . 8.753 1.932 -8.063 1.00 95.12 13 A 1 ATOM 95 C CG . ASN A 0 13 . 6.094 2.652 -9.553 1.00 95.12 13 A 1 ATOM 96 N ND2 . ASN A 0 13 . 6.438 3.342 -10.611 1.00 95.12 13 A 1 ATOM 97 O OD1 . ASN A 0 13 . 5.458 3.188 -8.662 1.00 95.12 13 A 1 ATOM 98 N N . SER A 0 14 . 7.773 1.683 -6.068 1.00 95.01 14 A 1 ATOM 99 C CA . SER A 0 14 . 8.810 2.427 -5.323 1.00 95.01 14 A 1 ATOM 100 C C . SER A 0 14 . 10.189 1.757 -5.363 1.00 95.01 14 A 1 ATOM 101 C CB . SER A 0 14 . 8.403 2.576 -3.853 1.00 95.01 14 A 1 ATOM 102 O O . SER A 0 14 . 11.206 2.424 -5.200 1.00 95.01 14 A 1 ATOM 103 O OG . SER A 0 14 . 8.314 1.294 -3.258 1.00 95.01 14 A 1 ATOM 104 N N . GLY A 0 15 . 10.220 0.437 -5.563 1.00 94.42 15 A 1 ATOM 105 C CA . GLY A 0 15 . 11.431 -0.386 -5.522 1.00 94.42 15 A 1 ATOM 106 C C . GLY A 0 15 . 11.421 -1.418 -4.395 1.00 94.42 15 A 1 ATOM 107 O O . GLY A 0 15 . 12.113 -2.431 -4.500 1.00 94.42 15 A 1 ATOM 108 N N . ALA A 0 16 . 10.590 -1.242 -3.365 1.00 96.75 16 A 1 ATOM 109 C CA . ALA A 0 16 . 10.397 -2.253 -2.331 1.00 96.75 16 A 1 ATOM 110 C C . ALA A 0 16 . 9.542 -3.423 -2.845 1.00 96.75 16 A 1 ATOM 111 C CB . ALA A 0 16 . 9.827 -1.610 -1.066 1.00 96.75 16 A 1 ATOM 112 O O . ALA A 0 16 . 8.749 -3.291 -3.776 1.00 96.75 16 A 1 ATOM 113 N N . THR A 0 17 . 9.735 -4.593 -2.237 1.00 96.54 17 A 1 ATOM 114 C CA . THR A 0 17 . 8.992 -5.827 -2.561 1.00 96.54 17 A 1 ATOM 115 C C . THR A 0 17 . 8.417 -6.491 -1.314 1.00 96.54 17 A 1 ATOM 116 C CB . THR A 0 17 . 9.867 -6.836 -3.324 1.00 96.54 17 A 1 ATOM 117 O O . THR A 0 17 . 7.300 -7.002 -1.355 1.00 96.54 17 A 1 ATOM 118 C CG2 . THR A 0 17 . 10.390 -6.288 -4.651 1.00 96.54 17 A 1 ATOM 119 O OG1 . THR A 0 17 . 10.999 -7.198 -2.568 1.00 96.54 17 A 1 ATOM 120 N N . LEU A 0 18 . 9.143 -6.443 -0.191 1.00 98.03 18 A 1 ATOM 121 C CA . LEU A 0 18 . 8.684 -6.918 1.112 1.00 98.03 18 A 1 ATOM 122 C C . LEU A 0 18 . 8.991 -5.885 2.189 1.00 98.03 18 A 1 ATOM 123 C CB . LEU A 0 18 . 9.342 -8.259 1.481 1.00 98.03 18 A 1 ATOM 124 O O . LEU A 0 18 . 10.089 -5.322 2.230 1.00 98.03 18 A 1 ATOM 125 C CG . LEU A 0 18 . 8.943 -9.450 0.595 1.00 98.03 18 A 1 ATOM 126 C CD1 . LEU A 0 18 . 9.775 -10.669 0.992 1.00 98.03 18 A 1 ATOM 127 C CD2 . LEU A 0 18 . 7.465 -9.812 0.751 1.00 98.03 18 A 1 ATOM 128 N N . ALA A 0 19 . 8.030 -5.709 3.083 1.00 98.52 19 A 1 ATOM 129 C CA . ALA A 0 19 . 8.069 -4.790 4.204 1.00 98.52 19 A 1 ATOM 130 C C . ALA A 0 19 . 7.606 -5.508 5.481 1.00 98.52 19 A 1 ATOM 131 C CB . ALA A 0 19 . 7.182 -3.598 3.834 1.00 98.52 19 A 1 ATOM 132 O O . ALA A 0 19 . 6.706 -6.344 5.435 1.00 98.52 19 A 1 ATOM 133 N N . GLU A 0 20 . 8.221 -5.194 6.616 1.00 98.72 20 A 1 ATOM 134 C CA . GLU A 0 20 . 7.809 -5.690 7.934 1.00 98.72 20 A 1 ATOM 135 C C . GLU A 0 20 . 7.165 -4.562 8.731 1.00 98.72 20 A 1 ATOM 136 C CB . GLU A 0 20 . 9.026 -6.244 8.682 1.00 98.72 20 A 1 ATOM 137 O O . GLU A 0 20 . 7.768 -3.501 8.874 1.00 98.72 20 A 1 ATOM 138 C CG . GLU A 0 20 . 8.675 -6.845 10.052 1.00 98.72 20 A 1 ATOM 139 C CD . GLU A 0 20 . 9.918 -7.351 10.798 1.00 98.72 20 A 1 ATOM 140 O OE1 . GLU A 0 20 . 9.941 -7.263 12.042 1.00 98.72 20 A 1 ATOM 141 O OE2 . GLU A 0 20 . 10.889 -7.781 10.128 1.00 98.72 20 A 1 ATOM 142 N N . CYS A 0 21 . 5.969 -4.796 9.270 1.00 98.60 21 A 1 ATOM 143 C CA . CYS A 0 21 . 5.291 -3.863 10.163 1.00 98.60 21 A 1 ATOM 144 C C . CYS A 0 21 . 6.029 -3.751 11.502 1.00 98.60 21 A 1 ATOM 145 C CB . CYS A 0 21 . 3.844 -4.333 10.352 1.00 98.60 21 A 1 ATOM 146 O O . CYS A 0 21 . 6.167 -4.736 12.228 1.00 98.60 21 A 1 ATOM 147 S SG . CYS A 0 21 . 2.953 -3.159 11.414 1.00 98.60 21 A 1 ATOM 148 N N . ILE A 0 22 . 6.451 -2.535 11.847 1.00 98.09 22 A 1 ATOM 149 C CA . ILE A 0 22 . 7.115 -2.224 13.119 1.00 98.09 22 A 1 ATOM 150 C C . ILE A 0 22 . 6.277 -1.329 14.032 1.00 98.09 22 A 1 ATOM 151 C CB . ILE A 0 22 . 8.511 -1.619 12.882 1.00 98.09 22 A 1 ATOM 152 O O . ILE A 0 22 . 6.576 -1.225 15.219 1.00 98.09 22 A 1 ATOM 153 C CG1 . ILE A 0 22 . 8.467 -0.310 12.060 1.00 98.09 22 A 1 ATOM 154 C CG2 . ILE A 0 22 . 9.421 -2.670 12.224 1.00 98.09 22 A 1 ATOM 155 C CD1 . ILE A 0 22 . 9.715 0.555 12.266 1.00 98.09 22 A 1 ATOM 156 N N . ARG A 0 23 . 5.223 -0.689 13.509 1.00 97.66 23 A 1 ATOM 157 C CA . ARG A 0 23 . 4.296 0.129 14.301 1.00 97.66 23 A 1 ATOM 158 C C . ARG A 0 23 . 2.944 0.248 13.611 1.00 97.66 23 A 1 ATOM 159 C CB . ARG A 0 23 . 4.913 1.522 14.515 1.00 97.66 23 A 1 ATOM 160 O O . ARG A 0 23 . 2.882 0.428 12.400 1.00 97.66 23 A 1 ATOM 161 C CG . ARG A 0 23 . 4.198 2.356 15.586 1.00 97.66 23 A 1 ATOM 162 C CD . ARG A 0 23 . 4.915 3.694 15.812 1.00 97.66 23 A 1 ATOM 163 N NE . ARG A 0 23 . 4.818 4.601 14.646 1.00 97.66 23 A 1 ATOM 164 N NH1 . ARG A 0 23 . 2.857 5.648 15.213 1.00 97.66 23 A 1 ATOM 165 N NH2 . ARG A 0 23 . 3.943 6.279 13.368 1.00 97.66 23 A 1 ATOM 166 C CZ . ARG A 0 23 . 3.878 5.503 14.416 1.00 97.66 23 A 1 ATOM 167 N N . VAL A 0 24 . 1.873 0.247 14.395 1.00 97.66 24 A 1 ATOM 168 C CA . VAL A 0 24 . 0.520 0.613 13.953 1.00 97.66 24 A 1 ATOM 169 C C . VAL A 0 24 . 0.253 2.055 14.389 1.00 97.66 24 A 1 ATOM 170 C CB . VAL A 0 24 . -0.503 -0.381 14.532 1.00 97.66 24 A 1 ATOM 171 O O . VAL A 0 24 . 0.449 2.374 15.560 1.00 97.66 24 A 1 ATOM 172 C CG1 . VAL A 0 24 . -1.932 0.045 14.194 1.00 97.66 24 A 1 ATOM 173 C CG2 . VAL A 0 24 . -0.255 -1.800 13.997 1.00 97.66 24 A 1 ATOM 174 N N . VAL A 0 25 . -0.123 2.950 13.465 1.00 92.55 25 A 1 ATOM 175 C CA . VAL A 0 25 . -0.108 4.400 13.749 1.00 92.55 25 A 1 ATOM 176 C C . VAL A 0 25 . -1.340 4.866 14.531 1.00 92.55 25 A 1 ATOM 177 C CB . VAL A 0 25 . 0.150 5.233 12.470 1.00 92.55 25 A 1 ATOM 178 O O . VAL A 0 25 . -1.205 5.769 15.354 1.00 92.55 25 A 1 ATOM 179 C CG1 . VAL A 0 25 . 0.336 6.732 12.756 1.00 92.55 25 A 1 ATOM 180 C CG2 . VAL A 0 25 . 1.424 4.732 11.772 1.00 92.55 25 A 1 ATOM 181 N N . ARG A 0 26 . -2.518 4.254 14.317 1.00 88.00 26 A 1 ATOM 182 C CA . ARG A 0 26 . -3.793 4.669 14.956 1.00 88.00 26 A 1 ATOM 183 C C . ARG A 0 26 . -4.790 3.541 15.272 1.00 88.00 26 A 1 ATOM 184 C CB . ARG A 0 26 . -4.488 5.735 14.080 1.00 88.00 26 A 1 ATOM 185 O O . ARG A 0 26 . -5.749 3.774 15.993 1.00 88.00 26 A 1 ATOM 186 C CG . ARG A 0 26 . -3.638 6.999 13.875 1.00 88.00 26 A 1 ATOM 187 C CD . ARG A 0 26 . -4.355 8.079 13.068 1.00 88.00 26 A 1 ATOM 188 N NE . ARG A 0 26 . -3.467 9.238 12.849 1.00 88.00 26 A 1 ATOM 189 N NH1 . ARG A 0 26 . -4.356 9.972 10.859 1.00 88.00 26 A 1 ATOM 190 N NH2 . ARG A 0 26 . -2.616 11.038 11.740 1.00 88.00 26 A 1 ATOM 191 C CZ . ARG A 0 26 . -3.484 10.070 11.822 1.00 88.00 26 A 1 ATOM 192 N N . ALA A 0 27 . -4.584 2.322 14.771 1.00 77.68 27 A 1 ATOM 193 C CA . ALA A 0 27 . -5.555 1.219 14.870 1.00 77.68 27 A 1 ATOM 194 C C . ALA A 0 27 . -5.383 0.324 16.125 1.00 77.68 27 A 1 ATOM 195 C CB . ALA A 0 27 . -5.549 0.456 13.539 1.00 77.68 27 A 1 ATOM 196 O O . ALA A 0 27 . -5.779 -0.840 16.149 1.00 77.68 27 A 1 ATOM 197 N N . GLY A 0 28 . -4.768 0.841 17.192 1.00 89.41 28 A 1 ATOM 198 C CA . GLY A 0 28 . -4.447 0.046 18.380 1.00 89.41 28 A 1 ATOM 199 C C . GLY A 0 28 . -3.382 -1.019 18.091 1.00 89.41 28 A 1 ATOM 200 O O . GLY A 0 28 . -2.357 -0.728 17.480 1.00 89.41 28 A 1 ATOM 201 N N . LYS A 0 29 . -3.603 -2.262 18.544 1.00 93.84 29 A 1 ATOM 202 C CA . LYS A 0 29 . -2.618 -3.358 18.412 1.00 93.84 29 A 1 ATOM 203 C C . LYS A 0 29 . -2.500 -3.920 16.991 1.00 93.84 29 A 1 ATOM 204 C CB . LYS A 0 29 . -2.941 -4.499 19.394 1.00 93.84 29 A 1 ATOM 205 O O . LYS A 0 29 . -1.470 -4.504 16.658 1.00 93.84 29 A 1 ATOM 206 C CG . LYS A 0 29 . -2.729 -4.098 20.863 1.00 93.84 29 A 1 ATOM 207 C CD . LYS A 0 29 . -2.989 -5.284 21.807 1.00 93.84 29 A 1 ATOM 208 C CE . LYS A 0 29 . -2.780 -4.853 23.267 1.00 93.84 29 A 1 ATOM 209 N NZ . LYS A 0 29 . -3.074 -5.950 24.228 1.00 93.84 29 A 1 ATOM 210 N N . PHE A 0 30 . -3.539 -3.773 16.171 1.00 97.14 30 A 1 ATOM 211 C CA . PHE A 0 30 . -3.601 -4.379 14.847 1.00 97.14 30 A 1 ATOM 212 C C . PHE A 0 30 . -4.163 -3.413 13.813 1.00 97.14 30 A 1 ATOM 213 C CB . PHE A 0 30 . -4.478 -5.630 14.867 1.00 97.14 30 A 1 ATOM 214 O O . PHE A 0 30 . -5.123 -2.708 14.080 1.00 97.14 30 A 1 ATOM 215 C CG . PHE A 0 30 . -4.059 -6.731 15.819 1.00 97.14 30 A 1 ATOM 216 C CD1 . PHE A 0 30 . -3.035 -7.623 15.451 1.00 97.14 30 A 1 ATOM 217 C CD2 . PHE A 0 30 . -4.717 -6.891 17.053 1.00 97.14 30 A 1 ATOM 218 C CE1 . PHE A 0 30 . -2.666 -8.669 16.314 1.00 97.14 30 A 1 ATOM 219 C CE2 . PHE A 0 30 . -4.346 -7.935 17.918 1.00 97.14 30 A 1 ATOM 220 C CZ . PHE A 0 30 . -3.321 -8.824 17.548 1.00 97.14 30 A 1 ATOM 221 N N . ALA A 0 31 . -3.614 -3.446 12.607 1.00 97.34 31 A 1 ATOM 222 C CA . ALA A 0 31 . -4.072 -2.645 11.482 1.00 97.34 31 A 1 ATOM 223 C C . ALA A 0 31 . -4.861 -3.491 10.465 1.00 97.34 31 A 1 ATOM 224 C CB . ALA A 0 31 . -2.838 -1.956 10.907 1.00 97.34 31 A 1 ATOM 225 O O . ALA A 0 31 . -4.648 -4.705 10.326 1.00 97.34 31 A 1 ATOM 226 N N . SER A 0 32 . -5.791 -2.865 9.752 1.00 96.39 32 A 1 ATOM 227 C CA . SER A 0 32 . -6.605 -3.481 8.703 1.00 96.39 32 A 1 ATOM 228 C C . SER A 0 32 . -6.585 -2.644 7.419 1.00 96.39 32 A 1 ATOM 229 C CB . SER A 0 32 . -8.028 -3.680 9.231 1.00 96.39 32 A 1 ATOM 230 O O . SER A 0 32 . -5.765 -1.744 7.272 1.00 96.39 32 A 1 ATOM 231 O OG . SER A 0 32 . -8.662 -4.706 8.483 1.00 96.39 32 A 1 ATOM 232 N N . LEU A 0 33 . -7.442 -2.980 6.452 1.00 96.88 33 A 1 ATOM 233 C CA . LEU A 0 33 . -7.557 -2.271 5.175 1.00 96.88 33 A 1 ATOM 234 C C . LEU A 0 33 . -7.715 -0.755 5.375 1.00 96.88 33 A 1 ATOM 235 C CB . LEU A 0 33 . -8.760 -2.817 4.385 1.00 96.88 33 A 1 ATOM 236 O O . LEU A 0 33 . -8.591 -0.305 6.113 1.00 96.88 33 A 1 ATOM 237 C CG . LEU A 0 33 . -8.659 -4.296 3.978 1.00 96.88 33 A 1 ATOM 238 C CD1 . LEU A 0 33 . -9.965 -4.728 3.317 1.00 96.88 33 A 1 ATOM 239 C CD2 . LEU A 0 33 . -7.509 -4.541 3.001 1.00 96.88 33 A 1 ATOM 240 N N . GLY A 0 34 . -6.870 0.013 4.690 1.00 96.58 34 A 1 ATOM 241 C CA . GLY A 0 34 . -6.828 1.472 4.746 1.00 96.58 34 A 1 ATOM 242 C C . GLY A 0 34 . -6.172 2.056 5.993 1.00 96.58 34 A 1 ATOM 243 O O . GLY A 0 34 . -6.077 3.272 6.084 1.00 96.58 34 A 1 ATOM 244 N N . ASP A 0 35 . -5.706 1.240 6.938 1.00 97.11 35 A 1 ATOM 245 C CA . ASP A 0 35 . -4.994 1.756 8.103 1.00 97.11 35 A 1 ATOM 246 C C . ASP A 0 35 . -3.504 1.967 7.796 1.00 97.11 35 A 1 ATOM 247 C CB . ASP A 0 35 . -5.195 0.861 9.330 1.00 97.11 35 A 1 ATOM 248 O O . ASP A 0 35 . -2.873 1.240 7.018 1.00 97.11 35 A 1 ATOM 249 C CG . ASP A 0 35 . -6.651 0.717 9.801 1.00 97.11 35 A 1 ATOM 250 O OD1 . ASP A 0 35 . -7.484 1.651 9.648 1.00 97.11 35 A 1 ATOM 251 O OD2 . ASP A 0 35 . -6.922 -0.365 10.373 1.00 97.11 35 A 1 ATOM 252 N N . GLU A 0 36 . -2.941 2.968 8.465 1.00 97.33 36 A 1 ATOM 253 C CA . GLU A 0 36 . -1.544 3.360 8.359 1.00 97.33 36 A 1 ATOM 254 C C . GLU A 0 36 . -0.662 2.572 9.338 1.00 97.33 36 A 1 ATOM 255 C CB . GLU A 0 36 . -1.463 4.868 8.605 1.00 97.33 36 A 1 ATOM 256 O O . GLU A 0 36 . -0.944 2.448 10.541 1.00 97.33 36 A 1 ATOM 257 C CG . GLU A 0 36 . -0.090 5.484 8.316 1.00 97.33 36 A 1 ATOM 258 C CD . GLU A 0 36 . 0.016 6.891 8.918 1.00 97.33 36 A 1 ATOM 259 O OE1 . GLU A 0 36 . 1.167 7.303 9.158 1.00 97.33 36 A 1 ATOM 260 O OE2 . GLU A 0 36 . -1.012 7.498 9.286 1.00 97.33 36 A 1 ATOM 261 N N . VAL A 0 37 . 0.455 2.073 8.816 1.00 98.14 37 A 1 ATOM 262 C CA . VAL A 0 37 . 1.507 1.381 9.563 1.00 98.14 37 A 1 ATOM 263 C C . VAL A 0 37 . 2.871 1.977 9.234 1.00 98.14 37 A 1 ATOM 264 C CB . VAL A 0 37 . 1.489 -0.138 9.302 1.00 98.14 37 A 1 ATOM 265 O O . VAL A 0 37 . 3.081 2.521 8.154 1.00 98.14 37 A 1 ATOM 266 C CG1 . VAL A 0 37 . 0.213 -0.779 9.854 1.00 98.14 37 A 1 ATOM 267 C CG2 . VAL A 0 37 . 1.602 -0.513 7.819 1.00 98.14 37 A 1 ATOM 268 N N . VAL A 0 38 . 3.826 1.840 10.150 1.00 98.14 38 A 1 ATOM 269 C CA . VAL A 0 38 . 5.245 2.062 9.851 1.00 98.14 38 A 1 ATOM 270 C C . VAL A 0 38 . 5.884 0.718 9.561 1.00 98.14 38 A 1 ATOM 271 C CB . VAL A 0 38 . 5.997 2.794 10.969 1.00 98.14 38 A 1 ATOM 272 O O . VAL A 0 38 . 5.679 -0.253 10.299 1.00 98.14 38 A 1 ATOM 273 C CG1 . VAL A 0 38 . 7.425 3.150 10.550 1.00 98.14 38 A 1 ATOM 274 C CG2 . VAL A 0 38 . 5.293 4.099 11.349 1.00 98.14 38 A 1 ATOM 275 N N . VAL A 0 39 . 6.670 0.670 8.494 1.00 98.60 39 A 1 ATOM 276 C CA . VAL A 0 39 . 7.321 -0.537 8.011 1.00 98.60 39 A 1 ATOM 277 C C . VAL A 0 39 . 8.815 -0.346 7.798 1.00 98.60 39 A 1 ATOM 278 C CB . VAL A 0 39 . 6.670 -1.066 6.724 1.00 98.60 39 A 1 ATOM 279 O O . VAL A 0 39 . 9.268 0.741 7.450 1.00 98.60 39 A 1 ATOM 280 C CG1 . VAL A 0 39 . 5.196 -1.435 6.916 1.00 98.60 39 A 1 ATOM 281 C CG2 . VAL A 0 39 . 6.760 -0.101 5.533 1.00 98.60 39 A 1 ATOM 282 N N . VAL A 0 40 . 9.567 -1.435 7.947 1.00 98.24 40 A 1 ATOM 283 C CA . VAL A 0 40 . 10.962 -1.540 7.499 1.00 98.24 40 A 1 ATOM 284 C C . VAL A 0 40 . 10.993 -2.316 6.189 1.00 98.24 40 A 1 ATOM 285 C CB . VAL A 0 40 . 11.847 -2.245 8.543 1.00 98.24 40 A 1 ATOM 286 O O . VAL A 0 40 . 10.455 -3.426 6.113 1.00 98.24 40 A 1 ATOM 287 C CG1 . VAL A 0 40 . 13.305 -2.357 8.075 1.00 98.24 40 A 1 ATOM 288 C CG2 . VAL A 0 40 . 11.856 -1.517 9.886 1.00 98.24 40 A 1 ATOM 289 N N . VAL A 0 41 . 11.661 -1.785 5.167 1.00 97.58 41 A 1 ATOM 290 C CA . VAL A 0 41 . 11.869 -2.486 3.894 1.00 97.58 41 A 1 ATOM 291 C C . VAL A 0 41 . 12.814 -3.669 4.114 1.00 97.58 41 A 1 ATOM 292 C CB . VAL A 0 41 . 12.403 -1.534 2.807 1.00 97.58 41 A 1 ATOM 293 O O . VAL A 0 41 . 14.002 -3.507 4.392 1.00 97.58 41 A 1 ATOM 294 C CG1 . VAL A 0 41 . 12.622 -2.288 1.485 1.00 97.58 41 A 1 ATOM 295 C CG2 . VAL A 0 41 . 11.411 -0.396 2.533 1.00 97.58 41 A 1 ATOM 296 N N . LYS A 0 42 . 12.299 -4.891 3.963 1.00 97.48 42 A 1 ATOM 297 C CA . LYS A 0 42 . 13.072 -6.133 4.140 1.00 97.48 42 A 1 ATOM 298 C C . LYS A 0 42 . 13.726 -6.596 2.845 1.00 97.48 42 A 1 ATOM 299 C CB . LYS A 0 42 . 12.170 -7.229 4.732 1.00 97.48 42 A 1 ATOM 300 O O . LYS A 0 42 . 14.829 -7.140 2.884 1.00 97.48 42 A 1 ATOM 301 C CG . LYS A 0 42 . 11.739 -6.916 6.173 1.00 97.48 42 A 1 ATOM 302 C CD . LYS A 0 42 . 12.859 -7.108 7.213 1.00 97.48 42 A 1 ATOM 303 C CE . LYS A 0 42 . 12.666 -6.145 8.390 1.00 97.48 42 A 1 ATOM 304 N NZ . LYS A 0 42 . 13.227 -6.660 9.662 1.00 97.48 42 A 1 ATOM 305 N N . LYS A 0 43 . 13.069 -6.356 1.707 1.00 96.07 43 A 1 ATOM 306 C CA . LYS A 0 43 . 13.591 -6.676 0.373 1.00 96.07 43 A 1 ATOM 307 C C . LYS A 0 43 . 13.242 -5.566 -0.613 1.00 96.07 43 A 1 ATOM 308 C CB . LYS A 0 43 . 13.050 -8.050 -0.067 1.00 96.07 43 A 1 ATOM 309 O O . LYS A 0 43 . 12.066 -5.243 -0.789 1.00 96.07 43 A 1 ATOM 310 C CG . LYS A 0 43 . 13.735 -8.582 -1.337 1.00 96.07 43 A 1 ATOM 311 C CD . LYS A 0 43 . 13.182 -9.961 -1.731 1.00 96.07 43 A 1 ATOM 312 C CE . LYS A 0 43 . 13.899 -10.475 -2.988 1.00 96.07 43 A 1 ATOM 313 N NZ . LYS A 0 43 . 13.490 -11.859 -3.351 1.00 96.07 43 A 1 ATOM 314 N N . ALA A 0 44 . 14.256 -5.044 -1.293 1.00 94.24 44 A 1 ATOM 315 C CA . ALA A 0 44 . 14.131 -4.086 -2.387 1.00 94.24 44 A 1 ATOM 316 C C . ALA A 0 44 . 14.722 -4.678 -3.674 1.00 94.24 44 A 1 ATOM 317 C CB . ALA A 0 44 . 14.811 -2.773 -1.979 1.00 94.24 44 A 1 ATOM 318 O O . ALA A 0 44 . 15.623 -5.515 -3.610 1.00 94.24 44 A 1 ATOM 319 N N . ARG A 0 45 . 14.228 -4.240 -4.838 1.00 90.81 45 A 1 ATOM 320 C CA . ARG A 0 45 . 14.687 -4.703 -6.161 1.00 90.81 45 A 1 ATOM 321 C C . ARG A 0 45 . 16.177 -4.427 -6.395 1.00 90.81 45 A 1 ATOM 322 C CB . ARG A 0 45 . 13.845 -4.046 -7.272 1.00 90.81 45 A 1 ATOM 323 O O . ARG A 0 45 . 16.840 -5.233 -7.027 1.00 90.81 45 A 1 ATOM 324 C CG . ARG A 0 45 . 12.383 -4.521 -7.289 1.00 90.81 45 A 1 ATOM 325 C CD . ARG A 0 45 . 11.608 -3.877 -8.449 1.00 90.81 45 A 1 ATOM 326 N NE . ARG A 0 45 . 10.194 -4.316 -8.484 1.00 90.81 45 A 1 ATOM 327 N NH1 . ARG A 0 45 . 9.272 -2.670 -7.154 1.00 90.81 45 A 1 ATOM 328 N NH2 . ARG A 0 45 . 7.967 -4.256 -7.963 1.00 90.81 45 A 1 ATOM 329 C CZ . ARG A 0 45 . 9.163 -3.748 -7.874 1.00 90.81 45 A 1 ATOM 330 N N . SER A 0 46 . 16.692 -3.330 -5.840 1.00 85.90 46 A 1 ATOM 331 C CA . SER A 0 46 . 18.097 -2.902 -5.950 1.00 85.90 46 A 1 ATOM 332 C C . SER A 0 46 . 18.971 -3.336 -4.758 1.00 85.90 46 A 1 ATOM 333 C CB . SER A 0 46 . 18.096 -1.386 -6.129 1.00 85.90 46 A 1 ATOM 334 O O . SER A 0 46 . 20.108 -2.895 -4.609 1.00 85.90 46 A 1 ATOM 335 O OG . SER A 0 46 . 19.340 -0.877 -6.531 1.00 85.90 46 A 1 ATOM 336 N N . GLY A 0 47 . 18.448 -4.176 -3.855 1.00 77.63 47 A 1 ATOM 337 C CA . GLY A 0 47 . 19.163 -4.564 -2.638 1.00 77.63 47 A 1 ATOM 338 C C . GLY A 0 47 . 19.430 -3.362 -1.724 1.00 77.63 47 A 1 ATOM 339 O O . GLY A 0 47 . 18.536 -2.952 -0.982 1.00 77.63 47 A 1 ATOM 340 N N . SER A 0 48 . 20.643 -2.809 -1.785 1.00 77.34 48 A 1 ATOM 341 C CA . SER A 0 48 . 21.144 -1.765 -0.876 1.00 77.34 48 A 1 ATOM 342 C C . SER A 0 48 . 21.261 -0.368 -1.498 1.00 77.34 48 A 1 ATOM 343 C CB . SER A 0 48 . 22.509 -2.179 -0.317 1.00 77.34 48 A 1 ATOM 344 O O . SER A 0 48 . 21.444 0.599 -0.760 1.00 77.34 48 A 1 ATOM 345 O OG . SER A 0 48 . 22.419 -3.440 0.327 1.00 77.34 48 A 1 ATOM 346 N N . SER A 0 49 . 21.138 -0.234 -2.821 1.00 77.98 49 A 1 ATOM 347 C CA . SER A 0 49 . 21.378 1.040 -3.513 1.00 77.98 49 A 1 ATOM 348 C C . SER A 0 49 . 20.075 1.687 -3.971 1.00 77.98 49 A 1 ATOM 349 C CB . SER A 0 49 . 22.336 0.842 -4.692 1.00 77.98 49 A 1 ATOM 350 O O . SER A 0 49 . 19.264 1.048 -4.640 1.00 77.98 49 A 1 ATOM 351 O OG . SER A 0 49 . 23.551 0.297 -4.216 1.00 77.98 49 A 1 ATOM 352 N N . VAL A 0 50 . 19.889 2.968 -3.651 1.00 78.14 50 A 1 ATOM 353 C CA . VAL A 0 50 . 18.834 3.806 -4.242 1.00 78.14 50 A 1 ATOM 354 C C . VAL A 0 50 . 19.283 4.178 -5.653 1.00 78.14 50 A 1 ATOM 355 C CB . VAL A 0 50 . 18.569 5.052 -3.373 1.00 78.14 50 A 1 ATOM 356 O O . VAL A 0 50 . 20.427 4.579 -5.855 1.00 78.14 50 A 1 ATOM 357 C CG1 . VAL A 0 50 . 17.541 6.027 -3.958 1.00 78.14 50 A 1 ATOM 358 C CG2 . VAL A 0 50 . 18.053 4.629 -1.990 1.00 78.14 50 A 1 ATOM 359 N N . THR A 0 51 . 18.404 4.016 -6.635 1.00 78.38 51 A 1 ATOM 360 C CA . THR A 0 51 . 18.680 4.382 -8.032 1.00 78.38 51 A 1 ATOM 361 C C . THR A 0 51 . 17.587 5.315 -8.530 1.00 78.38 51 A 1 ATOM 362 C CB . THR A 0 51 . 18.831 3.154 -8.952 1.00 78.38 51 A 1 ATOM 363 O O . THR A 0 51 . 16.532 5.411 -7.912 1.00 78.38 51 A 1 ATOM 364 C CG2 . THR A 0 51 . 19.905 2.178 -8.476 1.00 78.38 51 A 1 ATOM 365 O OG1 . THR A 0 51 . 17.635 2.414 -9.098 1.00 78.38 51 A 1 ATOM 366 N N . ALA A 0 52 . 17.779 5.971 -9.677 1.00 72.68 52 A 1 ATOM 367 C CA . ALA A 0 52 . 16.726 6.804 -10.271 1.00 72.68 52 A 1 ATOM 368 C C . ALA A 0 52 . 15.389 6.043 -10.443 1.00 72.68 52 A 1 ATOM 369 C CB . ALA A 0 52 . 17.241 7.330 -11.615 1.00 72.68 52 A 1 ATOM 370 O O . ALA A 0 52 . 14.315 6.628 -10.336 1.00 72.68 52 A 1 ATOM 371 N N . ALA A 0 53 . 15.457 4.722 -10.650 1.00 76.04 53 A 1 ATOM 372 C CA . ALA A 0 53 . 14.294 3.847 -10.768 1.00 76.04 53 A 1 ATOM 373 C C . ALA A 0 53 . 13.747 3.324 -9.423 1.00 76.04 53 A 1 ATOM 374 C CB . ALA A 0 53 . 14.684 2.689 -11.694 1.00 76.04 53 A 1 ATOM 375 O O . ALA A 0 53 . 12.608 2.862 -9.380 1.00 76.04 53 A 1 ATOM 376 N N . ASN A 0 54 . 14.530 3.361 -8.339 1.00 79.66 54 A 1 ATOM 377 C CA . ASN A 0 54 . 14.153 2.822 -7.029 1.00 79.66 54 A 1 ATOM 378 C C . ASN A 0 54 . 14.349 3.882 -5.946 1.00 79.66 54 A 1 ATOM 379 C CB . ASN A 0 54 . 14.990 1.575 -6.699 1.00 79.66 54 A 1 ATOM 380 O O . ASN A 0 54 . 15.478 4.177 -5.567 1.00 79.66 54 A 1 ATOM 381 C CG . ASN A 0 54 . 14.756 0.427 -7.657 1.00 79.66 54 A 1 ATOM 382 N ND2 . ASN A 0 54 . 15.783 0.000 -8.346 1.00 79.66 54 A 1 ATOM 383 O OD1 . ASN A 0 54 . 13.676 -0.128 -7.780 1.00 79.66 54 A 1 ATOM 384 N N . LYS A 0 55 . 13.245 4.384 -5.393 1.00 86.60 55 A 1 ATOM 385 C CA . LYS A 0 55 . 13.230 5.414 -4.343 1.00 86.60 55 A 1 ATOM 386 C C . LYS A 0 55 . 13.581 4.880 -2.950 1.00 86.60 55 A 1 ATOM 387 C CB . LYS A 0 55 . 11.849 6.088 -4.309 1.00 86.60 55 A 1 ATOM 388 O O . LYS A 0 55 . 13.656 5.663 -2.013 1.00 86.60 55 A 1 ATOM 389 C CG . LYS A 0 55 . 11.484 6.794 -5.625 1.00 86.60 55 A 1 ATOM 390 C CD . LYS A 0 55 . 10.141 7.513 -5.455 1.00 86.60 55 A 1 ATOM 391 C CE . LYS A 0 55 . 9.705 8.215 -6.745 1.00 86.60 55 A 1 ATOM 392 N NZ . LYS A 0 55 . 8.429 8.946 -6.529 1.00 86.60 55 A 1 ATOM 393 N N . VAL A 0 56 . 13.734 3.563 -2.808 1.00 93.07 56 A 1 ATOM 394 C CA . VAL A 0 56 . 13.906 2.873 -1.523 1.00 93.07 56 A 1 ATOM 395 C C . VAL A 0 56 . 14.962 1.774 -1.622 1.00 93.07 56 A 1 ATOM 396 C CB . VAL A 0 56 . 12.571 2.292 -1.008 1.00 93.07 56 A 1 ATOM 397 O O . VAL A 0 56 . 15.097 1.114 -2.660 1.00 93.07 56 A 1 ATOM 398 C CG1 . VAL A 0 56 . 11.484 3.364 -0.887 1.00 93.07 56 A 1 ATOM 399 C CG2 . VAL A 0 56 . 12.017 1.180 -1.908 1.00 93.07 56 A 1 ATOM 400 N N . LYS A 0 57 . 15.668 1.535 -0.517 1.00 93.56 57 A 1 ATOM 401 C CA . LYS A 0 57 . 16.633 0.441 -0.323 1.00 93.56 57 A 1 ATOM 402 C C . LYS A 0 57 . 16.240 -0.429 0.875 1.00 93.56 57 A 1 ATOM 403 C CB . LYS A 0 57 . 18.064 1.007 -0.193 1.00 93.56 57 A 1 ATOM 404 O O . LYS A 0 57 . 15.364 -0.096 1.673 1.00 93.56 57 A 1 ATOM 405 C CG . LYS A 0 57 . 18.185 2.015 0.955 1.00 93.56 57 A 1 ATOM 406 C CD . LYS A 0 57 . 19.601 2.522 1.222 1.00 93.56 57 A 1 ATOM 407 C CE . LYS A 0 57 . 19.478 3.577 2.327 1.00 93.56 57 A 1 ATOM 408 N NZ . LYS A 0 57 . 20.760 4.280 2.572 1.00 93.56 57 A 1 ATOM 409 N N . ARG A 0 58 . 16.874 -1.597 1.001 1.00 94.81 58 A 1 ATOM 410 C CA . ARG A 0 58 . 16.706 -2.466 2.173 1.00 94.81 58 A 1 ATOM 411 C C . ARG A 0 58 . 17.121 -1.724 3.448 1.00 94.81 58 A 1 ATOM 412 C CB . ARG A 0 58 . 17.527 -3.745 1.969 1.00 94.81 58 A 1 ATOM 413 O O . ARG A 0 58 . 18.186 -1.121 3.493 1.00 94.81 58 A 1 ATOM 414 C CG . ARG A 0 58 . 17.404 -4.716 3.149 1.00 94.81 58 A 1 ATOM 415 C CD . ARG A 0 58 . 18.254 -5.960 2.888 1.00 94.81 58 A 1 ATOM 416 N NE . ARG A 0 58 . 18.169 -6.912 4.010 1.00 94.81 58 A 1 ATOM 417 N NH1 . ARG A 0 58 . 20.028 -8.159 3.492 1.00 94.81 58 A 1 ATOM 418 N NH2 . ARG A 0 58 . 18.839 -8.665 5.304 1.00 94.81 58 A 1 ATOM 419 C CZ . ARG A 0 58 . 19.008 -7.902 4.262 1.00 94.81 58 A 1 ATOM 420 N N . GLY A 0 59 . 16.306 -1.848 4.492 1.00 95.19 59 A 1 ATOM 421 C CA . GLY A 0 59 . 16.524 -1.218 5.794 1.00 95.19 59 A 1 ATOM 422 C C . GLY A 0 59 . 15.823 0.129 5.961 1.00 95.19 59 A 1 ATOM 423 O O . GLY A 0 59 . 15.665 0.562 7.099 1.00 95.19 59 A 1 ATOM 424 N N . ASP A 0 60 . 15.348 0.749 4.877 1.00 95.53 60 A 1 ATOM 425 C CA . ASP A 0 60 . 14.624 2.016 4.970 1.00 95.53 60 A 1 ATOM 426 C C . ASP A 0 60 . 13.323 1.858 5.762 1.00 95.53 60 A 1 ATOM 427 C CB . ASP A 0 60 . 14.320 2.603 3.585 1.00 95.53 60 A 1 ATOM 428 O O . ASP A 0 60 . 12.628 0.838 5.669 1.00 95.53 60 A 1 ATOM 429 C CG . ASP A 0 60 . 15.547 3.124 2.833 1.00 95.53 60 A 1 ATOM 430 O OD1 . ASP A 0 60 . 16.632 3.279 3.444 1.00 95.53 60 A 1 ATOM 431 O OD2 . ASP A 0 60 . 15.400 3.337 1.610 1.00 95.53 60 A 1 ATOM 432 N N . ILE A 0 61 . 12.990 2.895 6.530 1.00 97.30 61 A 1 ATOM 433 C CA . ILE A 0 61 . 11.768 2.976 7.324 1.00 97.30 61 A 1 ATOM 434 C C . ILE A 0 61 . 10.802 3.924 6.627 1.00 97.30 61 A 1 ATOM 435 C CB . ILE A 0 61 . 12.056 3.409 8.778 1.00 97.30 61 A 1 ATOM 436 O O . ILE A 0 61 . 11.127 5.085 6.390 1.00 97.30 61 A 1 ATOM 437 C CG1 . ILE A 0 61 . 13.043 2.418 9.430 1.00 97.30 61 A 1 ATOM 438 C CG2 . ILE A 0 61 . 10.732 3.474 9.564 1.00 97.30 61 A 1 ATOM 439 C CD1 . ILE A 0 61 . 13.387 2.701 10.897 1.00 97.30 61 A 1 ATOM 440 N N . HIS A 0 62 . 9.599 3.437 6.341 1.00 97.72 62 A 1 ATOM 441 C CA . HIS A 0 62 . 8.557 4.209 5.673 1.00 97.72 62 A 1 ATOM 442 C C . HIS A 0 62 . 7.208 4.035 6.353 1.00 97.72 62 A 1 ATOM 443 C CB . HIS A 0 62 . 8.481 3.818 4.192 1.00 97.72 62 A 1 ATOM 444 O O . HIS A 0 62 . 6.947 3.041 7.030 1.00 97.72 62 A 1 ATOM 445 C CG . HIS A 0 62 . 9.598 4.425 3.392 1.00 97.72 62 A 1 ATOM 446 C CD2 . HIS A 0 62 . 10.789 3.836 3.069 1.00 97.72 62 A 1 ATOM 447 N ND1 . HIS A 0 62 . 9.628 5.710 2.898 1.00 97.72 62 A 1 ATOM 448 C CE1 . HIS A 0 62 . 10.814 5.890 2.292 1.00 97.72 62 A 1 ATOM 449 N NE2 . HIS A 0 62 . 11.543 4.769 2.358 1.00 97.72 62 A 1 ATOM 450 N N . HIS A 0 63 . 6.330 5.002 6.126 1.00 98.09 63 A 1 ATOM 451 C CA . HIS A 0 63 . 4.909 4.815 6.352 1.00 98.09 63 A 1 ATOM 452 C C . HIS A 0 63 . 4.326 3.995 5.196 1.00 98.09 63 A 1 ATOM 453 C CB . HIS A 0 63 . 4.250 6.184 6.529 1.00 98.09 63 A 1 ATOM 454 O O . HIS A 0 63 . 4.839 4.014 4.073 1.00 98.09 63 A 1 ATOM 455 C CG . HIS A 0 63 . 4.628 6.836 7.836 1.00 98.09 63 A 1 ATOM 456 C CD2 . HIS A 0 63 . 5.851 7.306 8.236 1.00 98.09 63 A 1 ATOM 457 N ND1 . HIS A 0 63 . 3.764 7.098 8.860 1.00 98.09 63 A 1 ATOM 458 C CE1 . HIS A 0 63 . 4.417 7.740 9.830 1.00 98.09 63 A 1 ATOM 459 N NE2 . HIS A 0 63 . 5.716 7.859 9.518 1.00 98.09 63 A 1 ATOM 460 N N . ALA A 0 64 . 3.275 3.233 5.468 1.00 98.48 64 A 1 ATOM 461 C CA . ALA A 0 64 . 2.586 2.442 4.466 1.00 98.48 64 A 1 ATOM 462 C C . ALA A 0 64 . 1.098 2.321 4.791 1.00 98.48 64 A 1 ATOM 463 C CB . ALA A 0 64 . 3.264 1.071 4.349 1.00 98.48 64 A 1 ATOM 464 O O . ALA A 0 64 . 0.710 2.228 5.955 1.00 98.48 64 A 1 ATOM 465 N N . ILE A 0 65 . 0.277 2.264 3.746 1.00 98.14 65 A 1 ATOM 466 C CA . ILE A 0 65 . -1.159 1.999 3.855 1.00 98.14 65 A 1 ATOM 467 C C . ILE A 0 65 . -1.415 0.544 3.494 1.00 98.14 65 A 1 ATOM 468 C CB . ILE A 0 65 . -1.966 2.971 2.973 1.00 98.14 65 A 1 ATOM 469 O O . ILE A 0 65 . -0.934 0.057 2.465 1.00 98.14 65 A 1 ATOM 470 C CG1 . ILE A 0 65 . -1.692 4.447 3.339 1.00 98.14 65 A 1 ATOM 471 C CG2 . ILE A 0 65 . -3.474 2.672 3.045 1.00 98.14 65 A 1 ATOM 472 C CD1 . ILE A 0 65 . -1.871 4.812 4.819 1.00 98.14 65 A 1 ATOM 473 N N . ILE A 0 66 . -2.171 -0.162 4.331 1.00 98.20 66 A 1 ATOM 474 C CA . ILE A 0 66 . -2.574 -1.542 4.051 1.00 98.20 66 A 1 ATOM 475 C C . ILE A 0 66 . -3.662 -1.536 2.980 1.00 98.20 66 A 1 ATOM 476 C CB . ILE A 0 66 . -3.050 -2.242 5.331 1.00 98.20 66 A 1 ATOM 477 O O . ILE A 0 66 . -4.719 -0.936 3.149 1.00 98.20 66 A 1 ATOM 478 C CG1 . ILE A 0 66 . -1.886 -2.353 6.336 1.00 98.20 66 A 1 ATOM 479 C CG2 . ILE A 0 66 . -3.612 -3.645 5.020 1.00 98.20 66 A 1 ATOM 480 C CD1 . ILE A 0 66 . -2.371 -2.723 7.732 1.00 98.20 66 A 1 ATOM 481 N N . VAL A 0 67 . -3.425 -2.258 1.890 1.00 98.37 67 A 1 ATOM 482 C CA . VAL A 0 67 . -4.328 -2.294 0.729 1.00 98.37 67 A 1 ATOM 483 C C . VAL A 0 67 . -4.954 -3.666 0.494 1.00 98.37 67 A 1 ATOM 484 C CB . VAL A 0 67 . -3.614 -1.777 -0.530 1.00 98.37 67 A 1 ATOM 485 O O . VAL A 0 67 . -5.956 -3.758 -0.211 1.00 98.37 67 A 1 ATOM 486 C CG1 . VAL A 0 67 . -3.119 -0.334 -0.364 1.00 98.37 67 A 1 ATOM 487 C CG2 . VAL A 0 67 . -2.404 -2.631 -0.911 1.00 98.37 67 A 1 ATOM 488 N N . ARG A 0 68 . -4.385 -4.725 1.093 1.00 98.24 68 A 1 ATOM 489 C CA . ARG A 0 68 . -4.928 -6.093 1.096 1.00 98.24 68 A 1 ATOM 490 C C . ARG A 0 68 . -4.656 -6.794 2.418 1.00 98.24 68 A 1 ATOM 491 C CB . ARG A 0 68 . -4.326 -6.941 -0.031 1.00 98.24 68 A 1 ATOM 492 O O . ARG A 0 68 . -3.594 -6.598 3.014 1.00 98.24 68 A 1 ATOM 493 C CG . ARG A 0 68 . -4.627 -6.383 -1.426 1.00 98.24 68 A 1 ATOM 494 C CD . ARG A 0 68 . -4.399 -7.432 -2.509 1.00 98.24 68 A 1 ATOM 495 N NE . ARG A 0 68 . -3.007 -7.903 -2.606 1.00 98.24 68 A 1 ATOM 496 N NH1 . ARG A 0 68 . -2.927 -7.955 -4.886 1.00 98.24 68 A 1 ATOM 497 N NH2 . ARG A 0 68 . -1.245 -8.810 -3.706 1.00 98.24 68 A 1 ATOM 498 C CZ . ARG A 0 68 . -2.395 -8.213 -3.727 1.00 98.24 68 A 1 ATOM 499 N N . THR A 0 69 . -5.577 -7.656 2.840 1.00 98.13 69 A 1 ATOM 500 C CA . THR A 0 69 . -5.416 -8.506 4.025 1.00 98.13 69 A 1 ATOM 501 C C . THR A 0 69 . -5.951 -9.921 3.807 1.00 98.13 69 A 1 ATOM 502 C CB . THR A 0 69 . -6.084 -7.901 5.274 1.00 98.13 69 A 1 ATOM 503 O O . THR A 0 69 . -7.044 -10.108 3.273 1.00 98.13 69 A 1 ATOM 504 C CG2 . THR A 0 69 . -5.460 -6.573 5.701 1.00 98.13 69 A 1 ATOM 505 O OG1 . THR A 0 69 . -7.455 -7.644 5.105 1.00 98.13 69 A 1 ATOM 506 N N . LYS A 0 70 . -5.223 -10.914 4.339 1.00 97.94 70 A 1 ATOM 507 C CA . LYS A 0 70 . -5.679 -12.310 4.478 1.00 97.94 70 A 1 ATOM 508 C C . LYS A 0 70 . -6.830 -12.461 5.461 1.00 97.94 70 A 1 ATOM 509 C CB . LYS A 0 70 . -4.529 -13.206 4.960 1.00 97.94 70 A 1 ATOM 510 O O . LYS A 0 70 . -7.702 -13.308 5.294 1.00 97.94 70 A 1 ATOM 511 C CG . LYS A 0 70 . -3.487 -13.496 3.878 1.00 97.94 70 A 1 ATOM 512 C CD . LYS A 0 70 . -2.432 -14.478 4.416 1.00 97.94 70 A 1 ATOM 513 C CE . LYS A 0 70 . -1.551 -14.994 3.276 1.00 97.94 70 A 1 ATOM 514 N NZ . LYS A 0 70 . -0.561 -16.006 3.718 1.00 97.94 70 A 1 ATOM 515 N N . SER A 0 71 . -6.802 -11.679 6.536 1.00 97.04 71 A 1 ATOM 516 C CA . SER A 0 71 . -7.904 -11.679 7.494 1.00 97.04 71 A 1 ATOM 517 C C . SER A 0 71 . -9.093 -10.939 6.865 1.00 97.04 71 A 1 ATOM 518 C CB . SER A 0 71 . -7.448 -11.184 8.871 1.00 97.04 71 A 1 ATOM 519 O O . SER A 0 71 . -8.886 -9.851 6.316 1.00 97.04 71 A 1 ATOM 520 O OG . SER A 0 71 . -8.268 -10.189 9.441 1.00 97.04 71 A 1 ATOM 521 N N . PRO A 0 72 . -10.294 -11.543 6.893 1.00 97.04 72 A 1 ATOM 522 C CA . PRO A 0 72 . -11.463 -11.002 6.218 1.00 97.04 72 A 1 ATOM 523 C C . PRO A 0 72 . -11.960 -9.732 6.913 1.00 97.04 72 A 1 ATOM 524 C CB . PRO A 0 72 . -12.499 -12.130 6.239 1.00 97.04 72 A 1 ATOM 525 O O . PRO A 0 72 . -11.865 -9.607 8.136 1.00 97.04 72 A 1 ATOM 526 C CG . PRO A 0 72 . -12.156 -12.899 7.512 1.00 97.04 72 A 1 ATOM 527 C CD . PRO A 0 72 . -10.634 -12.798 7.554 1.00 97.04 72 A 1 ATOM 528 N N . VAL A 0 73 . -12.512 -8.811 6.128 1.00 95.80 73 A 1 ATOM 529 C CA . VAL A 0 73 . -13.147 -7.579 6.610 1.00 95.80 73 A 1 ATOM 530 C C . VAL A 0 73 . -14.619 -7.611 6.220 1.00 95.80 73 A 1 ATOM 531 C CB . VAL A 0 73 . -12.431 -6.327 6.068 1.00 95.80 73 A 1 ATOM 532 O O . VAL A 0 73 . -14.950 -7.867 5.064 1.00 95.80 73 A 1 ATOM 533 C CG1 . VAL A 0 73 . -13.078 -5.037 6.587 1.00 95.80 73 A 1 ATOM 534 C CG2 . VAL A 0 73 . -10.959 -6.325 6.506 1.00 95.80 73 A 1 ATOM 535 N N . ARG A 0 74 . -15.503 -7.385 7.196 1.00 95.98 74 A 1 ATOM 536 C CA . ARG A 0 74 . -16.951 -7.329 6.978 1.00 95.98 74 A 1 ATOM 537 C C . ARG A 0 74 . -17.331 -5.973 6.386 1.00 95.98 74 A 1 ATOM 538 C CB . ARG A 0 74 . -17.686 -7.610 8.298 1.00 95.98 74 A 1 ATOM 539 O O . ARG A 0 74 . -16.950 -4.936 6.927 1.00 95.98 74 A 1 ATOM 540 C CG . ARG A 0 74 . -19.203 -7.740 8.100 1.00 95.98 74 A 1 ATOM 541 C CD . ARG A 0 74 . -19.888 -8.102 9.421 1.00 95.98 74 A 1 ATOM 542 N NE . ARG A 0 74 . -21.355 -8.064 9.293 1.00 95.98 74 A 1 ATOM 543 N NH1 . ARG A 0 74 . -21.874 -8.700 11.440 1.00 95.98 74 A 1 ATOM 544 N NH2 . ARG A 0 74 . -23.512 -8.249 9.999 1.00 95.98 74 A 1 ATOM 545 C CZ . ARG A 0 74 . -22.236 -8.339 10.239 1.00 95.98 74 A 1 ATOM 546 N N . ARG A 0 75 . -18.094 -5.991 5.300 1.00 95.93 75 A 1 ATOM 547 C CA . ARG A 0 75 . -18.682 -4.817 4.651 1.00 95.93 75 A 1 ATOM 548 C C . ARG A 0 75 . -20.033 -4.461 5.287 1.00 95.93 75 A 1 ATOM 549 C CB . ARG A 0 75 . -18.819 -5.096 3.146 1.00 95.93 75 A 1 ATOM 550 O O . ARG A 0 75 . -20.661 -5.333 5.894 1.00 95.93 75 A 1 ATOM 551 C CG . ARG A 0 75 . -17.450 -5.099 2.467 1.00 95.93 75 A 1 ATOM 552 C CD . ARG A 0 75 . -17.548 -5.336 0.957 1.00 95.93 75 A 1 ATOM 553 N NE . ARG A 0 75 . -16.226 -5.073 0.387 1.00 95.93 75 A 1 ATOM 554 N NH1 . ARG A 0 75 . -16.437 -5.663 -1.852 1.00 95.93 75 A 1 ATOM 555 N NH2 . ARG A 0 75 . -14.545 -4.834 -1.026 1.00 95.93 75 A 1 ATOM 556 C CZ . ARG A 0 75 . -15.764 -5.210 -0.834 1.00 95.93 75 A 1 ATOM 557 N N . PRO A 0 76 . -20.508 -3.207 5.143 1.00 94.00 76 A 1 ATOM 558 C CA . PRO A 0 76 . -21.808 -2.784 5.674 1.00 94.00 76 A 1 ATOM 559 C C . PRO A 0 76 . -22.992 -3.611 5.156 1.00 94.00 76 A 1 ATOM 560 C CB . PRO A 0 76 . -21.956 -1.314 5.266 1.00 94.00 76 A 1 ATOM 561 O O . PRO A 0 76 . -23.957 -3.817 5.880 1.00 94.00 76 A 1 ATOM 562 C CG . PRO A 0 76 . -20.513 -0.834 5.136 1.00 94.00 76 A 1 ATOM 563 C CD . PRO A 0 76 . -19.797 -2.063 4.584 1.00 94.00 76 A 1 ATOM 564 N N . ASP A 0 77 . -22.890 -4.142 3.936 1.00 95.68 77 A 1 ATOM 565 C CA . ASP A 0 77 . -23.890 -5.027 3.324 1.00 95.68 77 A 1 ATOM 566 C C . ASP A 0 77 . -23.847 -6.478 3.850 1.00 95.68 77 A 1 ATOM 567 C CB . ASP A 0 77 . -23.738 -4.965 1.793 1.00 95.68 77 A 1 ATOM 568 O O . ASP A 0 77 . -24.567 -7.344 3.360 1.00 95.68 77 A 1 ATOM 569 C CG . ASP A 0 77 . -22.442 -5.586 1.256 1.00 95.68 77 A 1 ATOM 570 O OD1 . ASP A 0 77 . -21.595 -6.053 2.048 1.00 95.68 77 A 1 ATOM 571 O OD2 . ASP A 0 77 . -22.254 -5.594 0.016 1.00 95.68 77 A 1 ATOM 572 N N . GLY A 0 78 . -22.988 -6.770 4.830 1.00 95.83 78 A 1 ATOM 573 C CA . GLY A 0 78 . -22.840 -8.088 5.444 1.00 95.83 78 A 1 ATOM 574 C C . GLY A 0 78 . -21.881 -9.036 4.723 1.00 95.83 78 A 1 ATOM 575 O O . GLY A 0 78 . -21.515 -10.059 5.305 1.00 95.83 78 A 1 ATOM 576 N N . ARG A 0 79 . -21.416 -8.705 3.511 1.00 96.48 79 A 1 ATOM 577 C CA . ARG A 0 79 . -20.424 -9.526 2.800 1.00 96.48 79 A 1 ATOM 578 C C . ARG A 0 79 . -19.037 -9.377 3.422 1.00 96.48 79 A 1 ATOM 579 C CB . ARG A 0 79 . -20.421 -9.193 1.300 1.00 96.48 79 A 1 ATOM 580 O O . ARG A 0 79 . -18.749 -8.414 4.128 1.00 96.48 79 A 1 ATOM 581 C CG . ARG A 0 79 . -21.747 -9.602 0.637 1.00 96.48 79 A 1 ATOM 582 C CD . ARG A 0 79 . -21.706 -9.417 -0.883 1.00 96.48 79 A 1 ATOM 583 N NE . ARG A 0 79 . -21.687 -7.993 -1.251 1.00 96.48 79 A 1 ATOM 584 N NH1 . ARG A 0 79 . -21.504 -8.204 -3.531 1.00 96.48 79 A 1 ATOM 585 N NH2 . ARG A 0 79 . -21.753 -6.188 -2.585 1.00 96.48 79 A 1 ATOM 586 C CZ . ARG A 0 79 . -21.645 -7.474 -2.458 1.00 96.48 79 A 1 ATOM 587 N N . TYR A 0 80 . -18.151 -10.322 3.130 1.00 96.43 80 A 1 ATOM 588 C CA . TYR A 0 80 . -16.753 -10.264 3.549 1.00 96.43 80 A 1 ATOM 589 C C . TYR A 0 80 . -15.841 -10.081 2.342 1.00 96.43 80 A 1 ATOM 590 C CB . TYR A 0 80 . -16.378 -11.509 4.358 1.00 96.43 80 A 1 ATOM 591 O O . TYR A 0 80 . -16.024 -10.735 1.317 1.00 96.43 80 A 1 ATOM 592 C CG . TYR A 0 80 . -17.028 -11.563 5.726 1.00 96.43 80 A 1 ATOM 593 C CD1 . TYR A 0 80 . -16.332 -11.092 6.857 1.00 96.43 80 A 1 ATOM 594 C CD2 . TYR A 0 80 . -18.334 -12.069 5.870 1.00 96.43 80 A 1 ATOM 595 C CE1 . TYR A 0 80 . -16.916 -11.176 8.135 1.00 96.43 80 A 1 ATOM 596 C CE2 . TYR A 0 80 . -18.941 -12.109 7.139 1.00 96.43 80 A 1 ATOM 597 O OH . TYR A 0 80 . -18.806 -11.733 9.503 1.00 96.43 80 A 1 ATOM 598 C CZ . TYR A 0 80 . -18.229 -11.677 8.275 1.00 96.43 80 A 1 ATOM 599 N N . VAL A 0 81 . -14.828 -9.229 2.488 1.00 96.00 81 A 1 ATOM 600 C CA . VAL A 0 81 . -13.710 -9.136 1.547 1.00 96.00 81 A 1 ATOM 601 C C . VAL A 0 81 . -12.464 -9.751 2.171 1.00 96.00 81 A 1 ATOM 602 C CB . VAL A 0 81 . -13.497 -7.697 1.045 1.00 96.00 81 A 1 ATOM 603 O O . VAL A 0 81 . -12.154 -9.527 3.344 1.00 96.00 81 A 1 ATOM 604 C CG1 . VAL A 0 81 . -13.092 -6.719 2.151 1.00 96.00 81 A 1 ATOM 605 C CG2 . VAL A 0 81 . -12.451 -7.653 -0.075 1.00 96.00 81 A 1 ATOM 606 N N . ARG A 0 82 . -11.748 -10.551 1.383 1.00 96.69 82 A 1 ATOM 607 C CA . ARG A 0 82 . -10.491 -11.195 1.759 1.00 96.69 82 A 1 ATOM 608 C C . ARG A 0 82 . -9.596 -11.298 0.533 1.00 96.69 82 A 1 ATOM 609 C CB . ARG A 0 82 . -10.789 -12.577 2.366 1.00 96.69 82 A 1 ATOM 610 O O . ARG A 0 82 . -10.078 -11.527 -0.570 1.00 96.69 82 A 1 ATOM 611 C CG . ARG A 0 82 . -9.526 -13.436 2.507 1.00 96.69 82 A 1 ATOM 612 C CD . ARG A 0 82 . -9.798 -14.723 3.274 1.00 96.69 82 A 1 ATOM 613 N NE . ARG A 0 82 . -8.634 -15.623 3.174 1.00 96.69 82 A 1 ATOM 614 N NH1 . ARG A 0 82 . -8.579 -16.359 5.348 1.00 96.69 82 A 1 ATOM 615 N NH2 . ARG A 0 82 . -7.188 -17.237 3.841 1.00 96.69 82 A 1 ATOM 616 C CZ . ARG A 0 82 . -8.138 -16.392 4.122 1.00 96.69 82 A 1 ATOM 617 N N . PHE A 0 83 . -8.295 -11.185 0.764 1.00 97.80 83 A 1 ATOM 618 C CA . PHE A 0 83 . -7.266 -11.397 -0.245 1.00 97.80 83 A 1 ATOM 619 C C . PHE A 0 83 . -6.385 -12.596 0.113 1.00 97.80 83 A 1 ATOM 620 C CB . PHE A 0 83 . -6.454 -10.108 -0.376 1.00 97.80 83 A 1 ATOM 621 O O . PHE A 0 83 . -6.342 -13.036 1.264 1.00 97.80 83 A 1 ATOM 622 C CG . PHE A 0 83 . -7.279 -8.916 -0.827 1.00 97.80 83 A 1 ATOM 623 C CD1 . PHE A 0 83 . -7.429 -8.644 -2.200 1.00 97.80 83 A 1 ATOM 624 C CD2 . PHE A 0 83 . -7.922 -8.094 0.120 1.00 97.80 83 A 1 ATOM 625 C CE1 . PHE A 0 83 . -8.153 -7.517 -2.622 1.00 97.80 83 A 1 ATOM 626 C CE2 . PHE A 0 83 . -8.682 -6.992 -0.305 1.00 97.80 83 A 1 ATOM 627 C CZ . PHE A 0 83 . -8.788 -6.700 -1.676 1.00 97.80 83 A 1 ATOM 628 N N . ASP A 0 84 . -5.638 -13.103 -0.864 1.00 97.35 84 A 1 ATOM 629 C CA . ASP A 0 84 . -4.719 -14.231 -0.659 1.00 97.35 84 A 1 ATOM 630 C C . ASP A 0 84 . -3.447 -13.837 0.094 1.00 97.35 84 A 1 ATOM 631 C CB . ASP A 0 84 . -4.346 -14.839 -2.013 1.00 97.35 84 A 1 ATOM 632 O O . ASP A 0 84 . -2.741 -14.686 0.640 1.00 97.35 84 A 1 ATOM 633 C CG . ASP A 0 84 . -5.570 -15.375 -2.748 1.00 97.35 84 A 1 ATOM 634 O OD1 . ASP A 0 84 . -6.479 -15.878 -2.051 1.00 97.35 84 A 1 ATOM 635 O OD2 . ASP A 0 84 . -5.582 -15.213 -3.984 1.00 97.35 84 A 1 ATOM 636 N N . ASP A 0 85 . -3.134 -12.542 0.151 1.00 98.01 85 A 1 ATOM 637 C CA . ASP A 0 85 . -1.972 -12.011 0.846 1.00 98.01 85 A 1 ATOM 638 C C . ASP A 0 85 . -2.254 -10.718 1.618 1.00 98.01 85 A 1 ATOM 639 C CB . ASP A 0 85 . -0.775 -11.907 -0.114 1.00 98.01 85 A 1 ATOM 640 O O . ASP A 0 85 . -3.330 -10.123 1.562 1.00 98.01 85 A 1 ATOM 641 C CG . ASP A 0 85 . -0.900 -10.875 -1.236 1.00 98.01 85 A 1 ATOM 642 O OD1 . ASP A 0 85 . -1.785 -9.997 -1.220 1.00 98.01 85 A 1 ATOM 643 O OD2 . ASP A 0 85 . -0.029 -10.917 -2.136 1.00 98.01 85 A 1 ATOM 644 N N . ASN A 0 86 . -1.257 -10.325 2.408 1.00 98.50 86 A 1 ATOM 645 C CA . ASN A 0 86 . -1.219 -9.023 3.042 1.00 98.50 86 A 1 ATOM 646 C C . ASN A 0 86 . -0.323 -8.118 2.201 1.00 98.50 86 A 1 ATOM 647 C CB . ASN A 0 86 . -0.690 -9.159 4.469 1.00 98.50 86 A 1 ATOM 648 O O . ASN A 0 86 . 0.827 -8.480 1.926 1.00 98.50 86 A 1 ATOM 649 C CG . ASN A 0 86 . -1.489 -10.090 5.357 1.00 98.50 86 A 1 ATOM 650 N ND2 . ASN A 0 86 . -0.816 -10.856 6.182 1.00 98.50 86 A 1 ATOM 651 O OD1 . ASN A 0 86 . -2.710 -10.122 5.366 1.00 98.50 86 A 1 ATOM 652 N N . ALA A 0 87 . -0.830 -6.955 1.807 1.00 98.69 87 A 1 ATOM 653 C CA . ALA A 0 87 . -0.089 -6.032 0.963 1.00 98.69 87 A 1 ATOM 654 C C . ALA A 0 87 . -0.256 -4.585 1.417 1.00 98.69 87 A 1 ATOM 655 C CB . ALA A 0 87 . -0.498 -6.219 -0.502 1.00 98.69 87 A 1 ATOM 656 O O . ALA A 0 87 . -1.282 -4.215 1.997 1.00 98.69 87 A 1 ATOM 657 N N . CYS A 0 88 . 0.748 -3.771 1.113 1.00 98.61 88 A 1 ATOM 658 C CA . CYS A 0 88 . 0.755 -2.343 1.374 1.00 98.61 88 A 1 ATOM 659 C C . CYS A 0 88 . 1.323 -1.536 0.201 1.00 98.61 88 A 1 ATOM 660 C CB . CYS A 0 88 . 1.489 -2.064 2.692 1.00 98.61 88 A 1 ATOM 661 O O . CYS A 0 88 . 1.933 -2.074 -0.730 1.00 98.61 88 A 1 ATOM 662 S SG . CYS A 0 88 . 3.258 -2.476 2.582 1.00 98.61 88 A 1 ATOM 663 N N . VAL A 0 89 . 1.102 -0.228 0.275 1.00 98.56 89 A 1 ATOM 664 C CA . VAL A 0 89 . 1.704 0.799 -0.583 1.00 98.56 89 A 1 ATOM 665 C C . VAL A 0 89 . 2.492 1.740 0.316 1.00 98.56 89 A 1 ATOM 666 C CB . VAL A 0 89 . 0.609 1.544 -1.366 1.00 98.56 89 A 1 ATOM 667 O O . VAL A 0 89 . 1.983 2.132 1.369 1.00 98.56 89 A 1 ATOM 668 C CG1 . VAL A 0 89 . 1.132 2.778 -2.109 1.00 98.56 89 A 1 ATOM 669 C CG2 . VAL A 0 89 . -0.022 0.595 -2.392 1.00 98.56 89 A 1 ATOM 670 N N . LEU A 0 90 . 3.724 2.075 -0.070 1.00 98.37 90 A 1 ATOM 671 C CA . LEU A 0 90 . 4.552 3.000 0.699 1.00 98.37 90 A 1 ATOM 672 C C . LEU A 0 90 . 4.059 4.431 0.500 1.00 98.37 90 A 1 ATOM 673 C CB . LEU A 0 90 . 6.034 2.873 0.312 1.00 98.37 90 A 1 ATOM 674 O O . LEU A 0 90 . 3.711 4.834 -0.614 1.00 98.37 90 A 1 ATOM 675 C CG . LEU A 0 90 . 6.650 1.478 0.508 1.00 98.37 90 A 1 ATOM 676 C CD1 . LEU A 0 90 . 8.160 1.561 0.289 1.00 98.37 90 A 1 ATOM 677 C CD2 . LEU A 0 90 . 6.412 0.896 1.905 1.00 98.37 90 A 1 ATOM 678 N N . VAL A 0 91 . 4.064 5.204 1.581 1.00 97.90 91 A 1 ATOM 679 C CA . VAL A 0 91 . 3.625 6.600 1.595 1.00 97.90 91 A 1 ATOM 680 C C . VAL A 0 91 . 4.617 7.497 2.336 1.00 97.90 91 A 1 ATOM 681 C CB . VAL A 0 91 . 2.189 6.756 2.144 1.00 97.90 91 A 1 ATOM 682 O O . VAL A 0 91 . 5.448 7.024 3.120 1.00 97.90 91 A 1 ATOM 683 C CG1 . VAL A 0 91 . 1.156 6.013 1.287 1.00 97.90 91 A 1 ATOM 684 C CG2 . VAL A 0 91 . 2.023 6.281 3.590 1.00 97.90 91 A 1 ATOM 685 N N . ASN A 0 92 . 4.549 8.799 2.062 1.00 95.41 92 A 1 ATOM 686 C CA . ASN A 0 92 . 5.223 9.825 2.861 1.00 95.41 92 A 1 ATOM 687 C C . ASN A 0 92 . 4.442 10.121 4.162 1.00 95.41 92 A 1 ATOM 688 C CB . ASN A 0 92 . 5.482 11.069 1.980 1.00 95.41 92 A 1 ATOM 689 O O . ASN A 0 92 . 3.467 9.440 4.492 1.00 95.41 92 A 1 ATOM 690 C CG . ASN A 0 92 . 4.220 11.792 1.537 1.00 95.41 92 A 1 ATOM 691 N ND2 . ASN A 0 92 . 4.339 12.756 0.657 1.00 95.41 92 A 1 ATOM 692 O OD1 . ASN A 0 92 . 3.123 11.467 1.952 1.00 95.41 92 A 1 ATOM 693 N N . LYS A 0 93 . 4.887 11.124 4.928 1.00 92.26 93 A 1 ATOM 694 C CA . LYS A 0 93 . 4.257 11.509 6.205 1.00 92.26 93 A 1 ATOM 695 C C . LYS A 0 93 . 2.866 12.118 6.005 1.00 92.26 93 A 1 ATOM 696 C CB . LYS A 0 93 . 5.163 12.504 6.939 1.00 92.26 93 A 1 ATOM 697 O O . LYS A 0 93 . 2.021 12.023 6.888 1.00 92.26 93 A 1 ATOM 698 C CG . LYS A 0 93 . 6.480 11.865 7.402 1.00 92.26 93 A 1 ATOM 699 C CD . LYS A 0 93 . 7.327 12.914 8.128 1.00 92.26 93 A 1 ATOM 700 C CE . LYS A 0 93 . 8.651 12.311 8.605 1.00 92.26 93 A 1 ATOM 701 N NZ . LYS A 0 93 . 9.496 13.345 9.254 1.00 92.26 93 A 1 ATOM 702 N N . GLU A 0 94 . 2.623 12.678 4.828 1.00 93.52 94 A 1 ATOM 703 C CA . GLU A 0 94 . 1.354 13.245 4.378 1.00 93.52 94 A 1 ATOM 704 C C . GLU A 0 94 . 0.394 12.167 3.828 1.00 93.52 94 A 1 ATOM 705 C CB . GLU A 0 94 . 1.637 14.357 3.346 1.00 93.52 94 A 1 ATOM 706 O O . GLU A 0 94 . -0.672 12.488 3.308 1.00 93.52 94 A 1 ATOM 707 C CG . GLU A 0 94 . 2.531 15.510 3.854 1.00 93.52 94 A 1 ATOM 708 C CD . GLU A 0 94 . 4.013 15.142 4.097 1.00 93.52 94 A 1 ATOM 709 O OE1 . GLU A 0 94 . 4.631 15.760 4.991 1.00 93.52 94 A 1 ATOM 710 O OE2 . GLU A 0 94 . 4.528 14.179 3.472 1.00 93.52 94 A 1 ATOM 711 N N . CYS A 0 95 . 0.747 10.879 3.960 1.00 94.39 95 A 1 ATOM 712 C CA . CYS A 0 95 . -0.012 9.727 3.457 1.00 94.39 95 A 1 ATOM 713 C C . CYS A 0 95 . -0.214 9.710 1.930 1.00 94.39 95 A 1 ATOM 714 C CB . CYS A 0 95 . -1.320 9.557 4.243 1.00 94.39 95 A 1 ATOM 715 O O . CYS A 0 95 . -1.124 9.046 1.419 1.00 94.39 95 A 1 ATOM 716 S SG . CYS A 0 95 . -0.966 9.102 5.960 1.00 94.39 95 A 1 ATOM 717 N N . GLU A 0 96 . 0.655 10.388 1.184 1.00 96.20 96 A 1 ATOM 718 C CA . GLU A 0 96 . 0.682 10.327 -0.270 1.00 96.20 96 A 1 ATOM 719 C C . GLU A 0 96 . 1.559 9.172 -0.778 1.00 96.20 96 A 1 ATOM 720 C CB . GLU A 0 96 . 1.174 11.629 -0.888 1.00 96.20 96 A 1 ATOM 721 O O . GLU A 0 96 . 2.622 8.912 -0.206 1.00 96.20 96 A 1 ATOM 722 C CG . GLU A 0 96 . 0.362 12.859 -0.477 1.00 96.20 96 A 1 ATOM 723 C CD . GLU A 0 96 . 0.658 13.949 -1.499 1.00 96.20 96 A 1 ATOM 724 O OE1 . GLU A 0 96 . -0.226 14.147 -2.372 1.00 96.20 96 A 1 ATOM 725 O OE2 . GLU A 0 96 . 1.827 14.377 -1.582 1.00 96.20 96 A 1 ATOM 726 N N . PRO A 0 97 . 1.170 8.493 -1.876 1.00 97.19 97 A 1 ATOM 727 C CA . PRO A 0 97 . 1.945 7.397 -2.457 1.00 97.19 97 A 1 ATOM 728 C C . PRO A 0 97 . 3.378 7.808 -2.810 1.00 97.19 97 A 1 ATOM 729 C CB . PRO A 0 97 . 1.187 6.956 -3.714 1.00 97.19 97 A 1 ATOM 730 O O . PRO A 0 97 . 3.596 8.775 -3.539 1.00 97.19 97 A 1 ATOM 731 C CG . PRO A 0 97 . -0.221 7.500 -3.515 1.00 97.19 97 A 1 ATOM 732 C CD . PRO A 0 97 . -0.041 8.729 -2.643 1.00 97.19 97 A 1 ATOM 733 N N . LEU A 0 98 . 4.357 7.022 -2.358 1.00 95.44 98 A 1 ATOM 734 C CA . LEU A 0 98 . 5.760 7.200 -2.740 1.00 95.44 98 A 1 ATOM 735 C C . LEU A 0 98 . 6.013 6.705 -4.175 1.00 95.44 98 A 1 ATOM 736 C CB . LEU A 0 98 . 6.628 6.448 -1.715 1.00 95.44 98 A 1 ATOM 737 O O . LEU A 0 98 . 6.768 7.316 -4.942 1.00 95.44 98 A 1 ATOM 738 C CG . LEU A 0 98 . 8.140 6.672 -1.894 1.00 95.44 98 A 1 ATOM 739 C CD1 . LEU A 0 98 . 8.546 8.113 -1.578 1.00 95.44 98 A 1 ATOM 740 C CD2 . LEU A 0 98 . 8.909 5.736 -0.966 1.00 95.44 98 A 1 ATOM 741 N N . GLY A 0 99 . 5.386 5.580 -4.532 1.00 94.25 99 A 1 ATOM 742 C CA . GLY A 0 99 . 5.341 5.061 -5.897 1.00 94.25 99 A 1 ATOM 743 C C . GLY A 0 99 . 4.402 5.871 -6.795 1.00 94.25 99 A 1 ATOM 744 O O . GLY A 0 99 . 3.487 6.540 -6.326 1.00 94.25 99 A 1 ATOM 745 N N . THR A 0 100 . 4.615 5.794 -8.107 1.00 93.85 100 A 1 ATOM 746 C CA . THR A 0 100 . 3.771 6.463 -9.112 1.00 93.85 100 A 1 ATOM 747 C C . THR A 0 100 . 2.652 5.576 -9.654 1.00 93.85 100 A 1 ATOM 748 C CB . THR A 0 100 . 4.604 7.001 -10.283 1.00 93.85 100 A 1 ATOM 749 O O . THR A 0 100 . 1.734 6.091 -10.282 1.00 93.85 100 A 1 ATOM 750 C CG2 . THR A 0 100 . 5.639 8.031 -9.830 1.00 93.85 100 A 1 ATOM 751 O OG1 . THR A 0 100 . 5.319 5.969 -10.930 1.00 93.85 100 A 1 ATOM 752 N N . ARG A 0 101 . 2.702 4.255 -9.427 1.00 94.92 101 A 1 ATOM 753 C CA . ARG A 0 101 . 1.642 3.308 -9.814 1.00 94.92 101 A 1 ATOM 754 C C . ARG A 0 101 . 1.549 2.130 -8.850 1.00 94.92 101 A 1 ATOM 755 C CB . ARG A 0 101 . 1.842 2.825 -11.265 1.00 94.92 101 A 1 ATOM 756 O O . ARG A 0 101 . 2.559 1.711 -8.276 1.00 94.92 101 A 1 ATOM 757 C CG . ARG A 0 101 . 3.105 1.972 -11.461 1.00 94.92 101 A 1 ATOM 758 C CD . ARG A 0 101 . 3.262 1.518 -12.913 1.00 94.92 101 A 1 ATOM 759 N NE . ARG A 0 101 . 4.417 0.610 -13.073 1.00 94.92 101 A 1 ATOM 760 N NH1 . ARG A 0 101 . 4.333 0.436 -15.361 1.00 94.92 101 A 1 ATOM 761 N NH2 . ARG A 0 101 . 5.891 -0.687 -14.237 1.00 94.92 101 A 1 ATOM 762 C CZ . ARG A 0 101 . 4.872 0.127 -14.217 1.00 94.92 101 A 1 ATOM 763 N N . ILE A 0 102 . 0.356 1.552 -8.747 1.00 97.42 102 A 1 ATOM 764 C CA . ILE A 0 102 . 0.106 0.315 -8.001 1.00 97.42 102 A 1 ATOM 765 C C . ILE A 0 102 . -0.006 -0.838 -8.999 1.00 97.42 102 A 1 ATOM 766 C CB . ILE A 0 102 . -1.133 0.465 -7.106 1.00 97.42 102 A 1 ATOM 767 O O . ILE A 0 102 . -0.655 -0.732 -10.034 1.00 97.42 102 A 1 ATOM 768 C CG1 . ILE A 0 102 . -0.917 1.608 -6.093 1.00 97.42 102 A 1 ATOM 769 C CG2 . ILE A 0 102 . -1.468 -0.845 -6.375 1.00 97.42 102 A 1 ATOM 770 C CD1 . ILE A 0 102 . -2.198 1.939 -5.342 1.00 97.42 102 A 1 ATOM 771 N N . LEU A 0 103 . 0.667 -1.946 -8.703 1.00 96.56 103 A 1 ATOM 772 C CA . LEU A 0 103 . 0.906 -3.044 -9.644 1.00 96.56 103 A 1 ATOM 773 C C . LEU A 0 103 . -0.204 -4.105 -9.656 1.00 96.56 103 A 1 ATOM 774 C CB . LEU A 0 103 . 2.267 -3.683 -9.304 1.00 96.56 103 A 1 ATOM 775 O O . LEU A 0 103 . -0.138 -5.053 -10.433 1.00 96.56 103 A 1 ATOM 776 C CG . LEU A 0 103 . 3.471 -2.723 -9.324 1.00 96.56 103 A 1 ATOM 777 C CD1 . LEU A 0 103 . 4.734 -3.481 -8.913 1.00 96.56 103 A 1 ATOM 778 C CD2 . LEU A 0 103 . 3.711 -2.110 -10.707 1.00 96.56 103 A 1 ATOM 779 N N . SER A 0 104 . -1.184 -4.016 -8.757 1.00 96.70 104 A 1 ATOM 780 C CA . SER A 0 104 . -2.198 -5.054 -8.564 1.00 96.70 104 A 1 ATOM 781 C C . SER A 0 104 . -3.480 -4.486 -7.958 1.00 96.70 104 A 1 ATOM 782 C CB . SER A 0 104 . -1.618 -6.151 -7.661 1.00 96.70 104 A 1 ATOM 783 O O . SER A 0 104 . -3.538 -3.320 -7.575 1.00 96.70 104 A 1 ATOM 784 O OG . SER A 0 104 . -2.383 -7.345 -7.724 1.00 96.70 104 A 1 ATOM 785 N N . VAL A 0 105 . -4.509 -5.326 -7.872 1.00 97.77 105 A 1 ATOM 786 C CA . VAL A 0 105 . -5.812 -4.973 -7.304 1.00 97.77 105 A 1 ATOM 787 C C . VAL A 0 105 . -5.704 -4.591 -5.829 1.00 97.77 105 A 1 ATOM 788 C CB . VAL A 0 105 . -6.841 -6.102 -7.500 1.00 97.77 105 A 1 ATOM 789 O O . VAL A 0 105 . -4.884 -5.150 -5.090 1.00 97.77 105 A 1 ATOM 790 C CG1 . VAL A 0 105 . -6.938 -6.499 -8.979 1.00 97.77 105 A 1 ATOM 791 C CG2 . VAL A 0 105 . -6.509 -7.366 -6.692 1.00 97.77 105 A 1 ATOM 792 N N . VAL A 0 106 . -6.569 -3.672 -5.404 1.00 98.22 106 A 1 ATOM 793 C CA . VAL A 0 106 . -6.655 -3.176 -4.022 1.00 98.22 106 A 1 ATOM 794 C C . VAL A 0 106 . -8.089 -3.221 -3.506 1.00 98.22 106 A 1 ATOM 795 C CB . VAL A 0 106 . -6.081 -1.753 -3.887 1.00 98.22 106 A 1 ATOM 796 O O . VAL A 0 106 . -9.035 -3.344 -4.283 1.00 98.22 106 A 1 ATOM 797 C CG1 . VAL A 0 106 . -4.616 -1.698 -4.321 1.00 98.22 106 A 1 ATOM 798 C CG2 . VAL A 0 106 . -6.882 -0.701 -4.659 1.00 98.22 106 A 1 ATOM 799 N N . ALA A 0 107 . -8.258 -3.119 -2.193 1.00 97.48 107 A 1 ATOM 800 C CA . ALA A 0 107 . -9.574 -3.099 -1.572 1.00 97.48 107 A 1 ATOM 801 C C . ALA A 0 107 . -10.305 -1.760 -1.785 1.00 97.48 107 A 1 ATOM 802 C CB . ALA A 0 107 . -9.380 -3.457 -0.100 1.00 97.48 107 A 1 ATOM 803 O O . ALA A 0 107 . -9.698 -0.686 -1.713 1.00 97.48 107 A 1 ATOM 804 N N . ASN A 0 108 . -11.615 -1.806 -2.028 1.00 95.94 108 A 1 ATOM 805 C CA . ASN A 0 108 . -12.453 -0.616 -2.193 1.00 95.94 108 A 1 ATOM 806 C C . ASN A 0 108 . -12.553 0.229 -0.905 1.00 95.94 108 A 1 ATOM 807 C CB . ASN A 0 108 . -13.832 -1.075 -2.685 1.00 95.94 108 A 1 ATOM 808 O O . ASN A 0 108 . -12.791 1.436 -0.957 1.00 95.94 108 A 1 ATOM 809 C CG . ASN A 0 108 . -14.683 0.099 -3.126 1.00 95.94 108 A 1 ATOM 810 N ND2 . ASN A 0 108 . -15.912 0.179 -2.672 1.00 95.94 108 A 1 ATOM 811 O OD1 . ASN A 0 108 . -14.257 0.953 -3.888 1.00 95.94 108 A 1 ATOM 812 N N . GLU A 0 109 . -12.285 -0.384 0.248 1.00 95.97 109 A 1 ATOM 813 C CA . GLU A 0 109 . -12.221 0.238 1.575 1.00 95.97 109 A 1 ATOM 814 C C . GLU A 0 109 . -11.188 1.379 1.652 1.00 95.97 109 A 1 ATOM 815 C CB . GLU A 0 109 . -11.889 -0.844 2.623 1.00 95.97 109 A 1 ATOM 816 O O . GLU A 0 109 . -11.270 2.245 2.519 1.00 95.97 109 A 1 ATOM 817 C CG . GLU A 0 109 . -12.999 -1.893 2.863 1.00 95.97 109 A 1 ATOM 818 C CD . GLU A 0 109 . -13.235 -2.894 1.714 1.00 95.97 109 A 1 ATOM 819 O OE1 . GLU A 0 109 . -14.315 -3.523 1.661 1.00 95.97 109 A 1 ATOM 820 O OE2 . GLU A 0 109 . -12.356 -3.055 0.844 1.00 95.97 109 A 1 ATOM 821 N N . LEU A 0 110 . -10.242 1.453 0.711 1.00 96.63 110 A 1 ATOM 822 C CA . LEU A 0 110 . -9.334 2.595 0.612 1.00 96.63 110 A 1 ATOM 823 C C . LEU A 0 110 . -10.072 3.913 0.346 1.00 96.63 110 A 1 ATOM 824 C CB . LEU A 0 110 . -8.310 2.328 -0.496 1.00 96.63 110 A 1 ATOM 825 O O . LEU A 0 110 . -9.659 4.950 0.859 1.00 96.63 110 A 1 ATOM 826 C CG . LEU A 0 110 . -7.368 1.149 -0.210 1.00 96.63 110 A 1 ATOM 827 C CD1 . LEU A 0 110 . -6.406 1.033 -1.384 1.00 96.63 110 A 1 ATOM 828 C CD2 . LEU A 0 110 . -6.569 1.339 1.078 1.00 96.63 110 A 1 ATOM 829 N N . ARG A 0 111 . -11.175 3.895 -0.413 1.00 95.27 111 A 1 ATOM 830 C CA . ARG A 0 111 . -11.967 5.107 -0.684 1.00 95.27 111 A 1 ATOM 831 C C . ARG A 0 111 . -12.698 5.587 0.565 1.00 95.27 111 A 1 ATOM 832 C CB . ARG A 0 111 . -12.964 4.857 -1.824 1.00 95.27 111 A 1 ATOM 833 O O . ARG A 0 111 . -12.709 6.782 0.838 1.00 95.27 111 A 1 ATOM 834 C CG . ARG A 0 111 . -12.253 4.613 -3.160 1.00 95.27 111 A 1 ATOM 835 C CD . ARG A 0 111 . -13.280 4.441 -4.284 1.00 95.27 111 A 1 ATOM 836 N NE . ARG A 0 111 . -12.621 4.243 -5.588 1.00 95.27 111 A 1 ATOM 837 N NH1 . ARG A 0 111 . -12.249 6.450 -6.114 1.00 95.27 111 A 1 ATOM 838 N NH2 . ARG A 0 111 . -11.542 4.854 -7.498 1.00 95.27 111 A 1 ATOM 839 C CZ . ARG A 0 111 . -12.143 5.179 -6.389 1.00 95.27 111 A 1 ATOM 840 N N . THR A 0 112 . -13.255 4.661 1.345 1.00 92.68 112 A 1 ATOM 841 C CA . THR A 0 112 . -13.947 4.992 2.601 1.00 92.68 112 A 1 ATOM 842 C C . THR A 0 112 . -12.980 5.468 3.684 1.00 92.68 112 A 1 ATOM 843 C CB . THR A 0 112 . -14.778 3.811 3.121 1.00 92.68 112 A 1 ATOM 844 O O . THR A 0 112 . -13.378 6.209 4.574 1.00 92.68 112 A 1 ATOM 845 C CG2 . THR A 0 112 . -15.839 3.357 2.119 1.00 92.68 112 A 1 ATOM 846 O OG1 . THR A 0 112 . -13.973 2.687 3.366 1.00 92.68 112 A 1 ATOM 847 N N . LYS A 0 113 . -11.699 5.099 3.579 1.00 92.64 113 A 1 ATOM 848 C CA . LYS A 0 113 . -10.602 5.540 4.453 1.00 92.64 113 A 1 ATOM 849 C C . LYS A 0 113 . -9.819 6.744 3.906 1.00 92.64 113 A 1 ATOM 850 C CB . LYS A 0 113 . -9.705 4.323 4.748 1.00 92.64 113 A 1 ATOM 851 O O . LYS A 0 113 . -8.690 6.971 4.318 1.00 92.64 113 A 1 ATOM 852 C CG . LYS A 0 113 . -10.393 3.271 5.638 1.00 92.64 113 A 1 ATOM 853 C CD . LYS A 0 113 . -10.315 3.652 7.122 1.00 92.64 113 A 1 ATOM 854 C CE . LYS A 0 113 . -10.832 2.498 7.988 1.00 92.64 113 A 1 ATOM 855 N NZ . LYS A 0 113 . -10.198 2.511 9.332 1.00 92.64 113 A 1 ATOM 856 N N . HIS A 0 114 . -10.395 7.518 2.983 1.00 93.63 114 A 1 ATOM 857 C CA . HIS A 0 114 . -9.796 8.736 2.407 1.00 93.63 114 A 1 ATOM 858 C C . HIS A 0 114 . -8.487 8.535 1.618 1.00 93.63 114 A 1 ATOM 859 C CB . HIS A 0 114 . -9.678 9.842 3.470 1.00 93.63 114 A 1 ATOM 860 O O . HIS A 0 114 . -7.798 9.497 1.285 1.00 93.63 114 A 1 ATOM 861 C CG . HIS A 0 114 . -10.954 10.079 4.233 1.00 93.63 114 A 1 ATOM 862 C CD2 . HIS A 0 114 . -11.209 9.712 5.526 1.00 93.63 114 A 1 ATOM 863 N ND1 . HIS A 0 114 . -12.091 10.685 3.749 1.00 93.63 114 A 1 ATOM 864 C CE1 . HIS A 0 114 . -13.008 10.685 4.730 1.00 93.63 114 A 1 ATOM 865 N NE2 . HIS A 0 114 . -12.515 10.101 5.832 1.00 93.63 114 A 1 ATOM 866 N N . HIS A 0 115 . -8.170 7.307 1.212 1.00 96.17 115 A 1 ATOM 867 C CA . HIS A 0 115 . -7.035 6.982 0.347 1.00 96.17 115 A 1 ATOM 868 C C . HIS A 0 115 . -7.442 6.903 -1.134 1.00 96.17 115 A 1 ATOM 869 C CB . HIS A 0 115 . -6.327 5.733 0.878 1.00 96.17 115 A 1 ATOM 870 O O . HIS A 0 115 . -7.032 6.004 -1.873 1.00 96.17 115 A 1 ATOM 871 C CG . HIS A 0 115 . -5.677 5.960 2.216 1.00 96.17 115 A 1 ATOM 872 C CD2 . HIS A 0 115 . -5.974 5.312 3.384 1.00 96.17 115 A 1 ATOM 873 N ND1 . HIS A 0 115 . -4.695 6.887 2.506 1.00 96.17 115 A 1 ATOM 874 C CE1 . HIS A 0 115 . -4.419 6.799 3.817 1.00 96.17 115 A 1 ATOM 875 N NE2 . HIS A 0 115 . -5.156 5.837 4.382 1.00 96.17 115 A 1 ATOM 876 N N . THR A 0 116 . -8.242 7.871 -1.596 1.00 95.71 116 A 1 ATOM 877 C CA . THR A 0 116 . -8.773 7.922 -2.971 1.00 95.71 116 A 1 ATOM 878 C C . THR A 0 116 . -7.665 7.930 -4.024 1.00 95.71 116 A 1 ATOM 879 C CB . THR A 0 116 . -9.675 9.152 -3.159 1.00 95.71 116 A 1 ATOM 880 O O . THR A 0 116 . -7.786 7.232 -5.028 1.00 95.71 116 A 1 ATOM 881 C CG2 . THR A 0 116 . -10.426 9.143 -4.489 1.00 95.71 116 A 1 ATOM 882 O OG1 . THR A 0 116 . -10.654 9.148 -2.149 1.00 95.71 116 A 1 ATOM 883 N N . LYS A 0 117 . -6.557 8.644 -3.769 1.00 96.45 117 A 1 ATOM 884 C CA . LYS A 0 117 . -5.380 8.693 -4.658 1.00 96.45 117 A 1 ATOM 885 C C . LYS A 0 117 . -4.708 7.323 -4.808 1.00 96.45 117 A 1 ATOM 886 C CB . LYS A 0 117 . -4.411 9.774 -4.140 1.00 96.45 117 A 1 ATOM 887 O O . LYS A 0 117 . -4.308 6.952 -5.904 1.00 96.45 117 A 1 ATOM 888 C CG . LYS A 0 117 . -3.195 10.057 -5.049 1.00 96.45 117 A 1 ATOM 889 C CD . LYS A 0 117 . -2.436 11.298 -4.529 1.00 96.45 117 A 1 ATOM 890 C CE . LYS A 0 117 . -1.127 11.615 -5.274 1.00 96.45 117 A 1 ATOM 891 N NZ . LYS A 0 117 . -0.512 12.889 -4.781 1.00 96.45 117 A 1 ATOM 892 N N . ILE A 0 118 . -4.627 6.535 -3.733 1.00 97.68 118 A 1 ATOM 893 C CA . ILE A 0 118 . -4.130 5.150 -3.801 1.00 97.68 118 A 1 ATOM 894 C C . ILE A 0 118 . -5.109 4.309 -4.627 1.00 97.68 118 A 1 ATOM 895 C CB . ILE A 0 118 . -3.897 4.566 -2.384 1.00 97.68 118 A 1 ATOM 896 O O . ILE A 0 118 . -4.698 3.648 -5.574 1.00 97.68 118 A 1 ATOM 897 C CG1 . ILE A 0 118 . -2.778 5.349 -1.667 1.00 97.68 118 A 1 ATOM 898 C CG2 . ILE A 0 118 . -3.501 3.079 -2.404 1.00 97.68 118 A 1 ATOM 899 C CD1 . ILE A 0 118 . -2.493 4.941 -0.218 1.00 97.68 118 A 1 ATOM 900 N N . ALA A 0 119 . -6.410 4.386 -4.340 1.00 96.71 119 A 1 ATOM 901 C CA . ALA A 0 119 . -7.417 3.631 -5.086 1.00 96.71 119 A 1 ATOM 902 C C . ALA A 0 119 . -7.435 3.961 -6.594 1.00 96.71 119 A 1 ATOM 903 C CB . ALA A 0 119 . -8.786 3.870 -4.437 1.00 96.71 119 A 1 ATOM 904 O O . ALA A 0 119 . -7.692 3.069 -7.396 1.00 96.71 119 A 1 ATOM 905 N N . SER A 0 120 . -7.141 5.207 -6.993 1.00 96.07 120 A 1 ATOM 906 C CA . SER A 0 120 . -7.082 5.616 -8.406 1.00 96.07 120 A 1 ATOM 907 C C . SER A 0 120 . -5.817 5.172 -9.144 1.00 96.07 120 A 1 ATOM 908 C CB . SER A 0 120 . -7.229 7.136 -8.540 1.00 96.07 120 A 1 ATOM 909 O O . SER A 0 120 . -5.838 5.090 -10.365 1.00 96.07 120 A 1 ATOM 910 O OG . SER A 0 120 . -6.205 7.835 -7.860 1.00 96.07 120 A 1 ATOM 911 N N . LEU A 0 121 . -4.716 4.904 -8.434 1.00 97.39 121 A 1 ATOM 912 C CA . LEU A 0 121 . -3.468 4.412 -9.036 1.00 97.39 121 A 1 ATOM 913 C C . LEU A 0 121 . -3.469 2.894 -9.269 1.00 97.39 121 A 1 ATOM 914 C CB . LEU A 0 121 . -2.282 4.801 -8.137 1.00 97.39 121 A 1 ATOM 915 O O . LEU A 0 121 . -2.541 2.370 -9.889 1.00 97.39 121 A 1 ATOM 916 C CG . LEU A 0 121 . -1.934 6.297 -8.120 1.00 97.39 121 A 1 ATOM 917 C CD1 . LEU A 0 121 . -0.794 6.513 -7.124 1.00 97.39 121 A 1 ATOM 918 C CD2 . LEU A 0 121 . -1.508 6.817 -9.490 1.00 97.39 121 A 1 ATOM 919 N N . ALA A 0 122 . -4.461 2.184 -8.728 1.00 97.16 122 A 1 ATOM 920 C CA . ALA A 0 122 . -4.611 0.748 -8.890 1.00 97.16 122 A 1 ATOM 921 C C . ALA A 0 122 . -5.370 0.403 -10.182 1.00 97.16 122 A 1 ATOM 922 C CB . ALA A 0 122 . -5.300 0.176 -7.647 1.00 97.16 122 A 1 ATOM 923 O O . ALA A 0 122 . -6.308 1.108 -10.548 1.00 97.16 122 A 1 ATOM 924 N N . PRO A 0 123 . -5.040 -0.722 -10.842 1.00 96.99 123 A 1 ATOM 925 C CA . PRO A 0 123 . -5.735 -1.164 -12.051 1.00 96.99 123 A 1 ATOM 926 C C . PRO A 0 123 . -7.207 -1.521 -11.804 1.00 96.99 123 A 1 ATOM 927 C CB . PRO A 0 123 . -4.942 -2.387 -12.532 1.00 96.99 123 A 1 ATOM 928 O O . PRO A 0 123 . -8.022 -1.444 -12.719 1.00 96.99 123 A 1 ATOM 929 C CG . PRO A 0 123 . -4.280 -2.926 -11.263 1.00 96.99 123 A 1 ATOM 930 C CD . PRO A 0 123 . -3.969 -1.645 -10.500 1.00 96.99 123 A 1 ATOM 931 N N . ARG A 0 124 . -7.554 -1.956 -10.584 1.00 96.92 124 A 1 ATOM 932 C CA . ARG A 0 124 . -8.921 -2.318 -10.192 1.00 96.92 124 A 1 ATOM 933 C C . ARG A 0 124 . -9.079 -2.316 -8.673 1.00 96.92 124 A 1 ATOM 934 C CB . ARG A 0 124 . -9.262 -3.695 -10.797 1.00 96.92 124 A 1 ATOM 935 O O . ARG A 0 124 . -8.155 -2.690 -7.947 1.00 96.92 124 A 1 ATOM 936 C CG . ARG A 0 124 . -10.713 -4.133 -10.570 1.00 96.92 124 A 1 ATOM 937 C CD . ARG A 0 124 . -10.997 -5.429 -11.333 1.00 96.92 124 A 1 ATOM 938 N NE . ARG A 0 124 . -12.373 -5.895 -11.093 1.00 96.92 124 A 1 ATOM 939 N NH1 . ARG A 0 124 . -12.392 -7.594 -12.642 1.00 96.92 124 A 1 ATOM 940 N NH2 . ARG A 0 124 . -14.228 -7.163 -11.455 1.00 96.92 124 A 1 ATOM 941 C CZ . ARG A 0 124 . -12.987 -6.878 -11.728 1.00 96.92 124 A 1 ATOM 942 N N . THR A 0 125 . -10.274 -1.962 -8.210 1.00 96.47 125 A 1 ATOM 943 C CA . THR A 0 125 . -10.709 -2.091 -6.813 1.00 96.47 125 A 1 ATOM 944 C C . THR A 0 125 . -11.691 -3.255 -6.651 1.00 96.47 125 A 1 ATOM 945 C CB . THR A 0 125 . -11.331 -0.784 -6.300 1.00 96.47 125 A 1 ATOM 946 O O . THR A 0 125 . -12.506 -3.492 -7.547 1.00 96.47 125 A 1 ATOM 947 C CG2 . THR A 0 125 . -10.311 0.354 -6.253 1.00 96.47 125 A 1 ATOM 948 O OG1 . THR A 0 125 . -12.365 -0.356 -7.157 1.00 96.47 125 A 1 ATOM 949 N N . ILE A 0 126 . -11.615 -3.971 -5.526 1.00 94.19 126 A 1 ATOM 950 C CA . ILE A 0 126 . -12.496 -5.100 -5.157 1.00 94.19 126 A 1 ATOM 951 C C . ILE A 0 126 . -13.295 -4.752 -3.912 1.00 94.19 126 A 1 ATOM 952 C CB . ILE A 0 126 . -11.676 -6.399 -4.977 1.00 94.19 126 A 1 ATOM 953 O O . ILE A 0 126 . -12.701 -4.180 -2.977 1.00 94.19 126 A 1 ATOM 954 C CG1 . ILE A 0 126 . -10.997 -6.774 -6.315 1.00 94.19 126 A 1 ATOM 955 C CG2 . ILE A 0 126 . -12.579 -7.546 -4.480 1.00 94.19 126 A 1 ATOM 956 C CD1 . ILE A 0 126 . -10.145 -8.048 -6.273 1.00 94.19 126 A 1 ATOM 957 O OXT . ILE A 0 126 . -14.495 -5.094 -3.855 1.00 94.19 126 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 95.17 # loop_ _atom_type.symbol C N O S #