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 ALA 0 3 HIS 0 4 TYR 0 5 GLY 0 6 ALA 0 7 GLU 0 8 ARG 0 9 ASP 0 10 GLY 0 11 ASP 0 12 VAL 0 13 THR 0 14 LYS 0 15 TRP 0 16 SER 0 17 ASN 0 18 LEU 0 19 ALA 0 20 SER 0 21 PHE 0 22 ALA 0 23 SER 0 24 PHE 0 25 ILE 0 26 GLY 0 27 ARG 0 28 SER 0 29 THR 0 30 ASN 0 31 ASN 0 32 ALA 0 33 GLY 0 34 VAL 0 35 HIS 0 36 ILE 0 37 LEU 0 38 MET 0 39 ALA 0 40 ASN 0 41 GLY 0 42 GLY 0 43 PHE 0 44 ASN 0 45 VAL 0 46 SER 0 47 SER 0 48 GLN 0 49 TYR 0 50 ASN 0 51 LEU 0 52 GLN 0 53 ARG 0 54 VAL 0 55 ILE 0 56 SER 0 57 LYS 0 58 GLN 0 59 LEU 0 60 TYR 0 61 LEU 0 62 CYS 0 63 GLN 0 64 CYS 0 65 LEU 0 66 CYS 0 67 ALA 0 68 LEU 0 69 ILE 0 70 ASN 0 71 LEU 0 72 ARG 0 73 PRO 0 74 ALA 0 75 ILE 0 76 GLY 0 77 SER 0 78 ASN 0 79 LYS 0 80 ALA 0 81 ASP 0 82 LYS 0 83 LYS # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 0 1 . -12.964 16.993 1.129 1.00 83.16 1 A 1 ATOM 2 C CA . MET A 0 1 . -11.602 17.392 0.700 1.00 83.16 1 A 1 ATOM 3 C C . MET A 0 1 . -10.814 16.137 0.360 1.00 83.16 1 A 1 ATOM 4 C CB . MET A 0 1 . -10.881 18.190 1.795 1.00 83.16 1 A 1 ATOM 5 O O . MET A 0 1 . -11.102 15.101 0.945 1.00 83.16 1 A 1 ATOM 6 C CG . MET A 0 1 . -11.388 19.633 1.877 1.00 83.16 1 A 1 ATOM 7 S SD . MET A 0 1 . -10.705 20.524 3.295 1.00 83.16 1 A 1 ATOM 8 C CE . MET A 0 1 . -10.240 22.097 2.521 1.00 83.16 1 A 1 ATOM 9 N N . ALA A 0 2 . -9.880 16.206 -0.590 1.00 92.90 2 A 1 ATOM 10 C CA . ALA A 0 2 . -9.033 15.068 -0.954 1.00 92.90 2 A 1 ATOM 11 C C . ALA A 0 2 . -7.933 14.825 0.099 1.00 92.90 2 A 1 ATOM 12 C CB . ALA A 0 2 . -8.448 15.322 -2.348 1.00 92.90 2 A 1 ATOM 13 O O . ALA A 0 2 . -7.433 15.782 0.691 1.00 92.90 2 A 1 ATOM 14 N N . HIS A 0 3 . -7.552 13.560 0.311 1.00 94.67 3 A 1 ATOM 15 C CA . HIS A 0 3 . -6.466 13.156 1.213 1.00 94.67 3 A 1 ATOM 16 C C . HIS A 0 3 . -5.292 12.605 0.401 1.00 94.67 3 A 1 ATOM 17 C CB . HIS A 0 3 . -6.977 12.116 2.222 1.00 94.67 3 A 1 ATOM 18 O O . HIS A 0 3 . -5.418 11.557 -0.223 1.00 94.67 3 A 1 ATOM 19 C CG . HIS A 0 3 . -5.945 11.776 3.268 1.00 94.67 3 A 1 ATOM 20 C CD2 . HIS A 0 3 . -5.083 10.718 3.253 1.00 94.67 3 A 1 ATOM 21 N ND1 . HIS A 0 3 . -5.686 12.554 4.394 1.00 94.67 3 A 1 ATOM 22 C CE1 . HIS A 0 3 . -4.703 11.932 5.055 1.00 94.67 3 A 1 ATOM 23 N NE2 . HIS A 0 3 . -4.325 10.827 4.398 1.00 94.67 3 A 1 ATOM 24 N N . TYR A 0 4 . -4.153 13.301 0.421 1.00 96.49 4 A 1 ATOM 25 C CA . TYR A 0 4 . -2.970 12.971 -0.391 1.00 96.49 4 A 1 ATOM 26 C C . TYR A 0 4 . -1.894 12.174 0.369 1.00 96.49 4 A 1 ATOM 27 C CB . TYR A 0 4 . -2.408 14.253 -1.023 1.00 96.49 4 A 1 ATOM 28 O O . TYR A 0 4 . -0.773 12.033 -0.113 1.00 96.49 4 A 1 ATOM 29 C CG . TYR A 0 4 . -3.329 14.888 -2.042 1.00 96.49 4 A 1 ATOM 30 C CD1 . TYR A 0 4 . -3.380 14.363 -3.348 1.00 96.49 4 A 1 ATOM 31 C CD2 . TYR A 0 4 . -4.116 16.005 -1.700 1.00 96.49 4 A 1 ATOM 32 C CE1 . TYR A 0 4 . -4.217 14.951 -4.313 1.00 96.49 4 A 1 ATOM 33 C CE2 . TYR A 0 4 . -4.942 16.608 -2.669 1.00 96.49 4 A 1 ATOM 34 O OH . TYR A 0 4 . -5.784 16.658 -4.918 1.00 96.49 4 A 1 ATOM 35 C CZ . TYR A 0 4 . -4.993 16.079 -3.978 1.00 96.49 4 A 1 ATOM 36 N N . GLY A 0 5 . -2.216 11.656 1.557 1.00 95.94 5 A 1 ATOM 37 C CA . GLY A 0 5 . -1.267 10.910 2.383 1.00 95.94 5 A 1 ATOM 38 C C . GLY A 0 5 . -0.278 11.798 3.147 1.00 95.94 5 A 1 ATOM 39 O O . GLY A 0 5 . -0.394 13.023 3.153 1.00 95.94 5 A 1 ATOM 40 N N . ALA A 0 6 . 0.664 11.164 3.848 1.00 96.59 6 A 1 ATOM 41 C CA . ALA A 0 6 . 1.658 11.850 4.676 1.00 96.59 6 A 1 ATOM 42 C C . ALA A 0 6 . 2.687 12.627 3.836 1.00 96.59 6 A 1 ATOM 43 C CB . ALA A 0 6 . 2.342 10.807 5.567 1.00 96.59 6 A 1 ATOM 44 O O . ALA A 0 6 . 3.053 13.739 4.206 1.00 96.59 6 A 1 ATOM 45 N N . GLU A 0 7 . 3.077 12.082 2.679 1.00 96.10 7 A 1 ATOM 46 C CA . GLU A 0 7 . 4.026 12.716 1.749 1.00 96.10 7 A 1 ATOM 47 C C . GLU A 0 7 . 3.359 13.771 0.854 1.00 96.10 7 A 1 ATOM 48 C CB . GLU A 0 7 . 4.689 11.655 0.857 1.00 96.10 7 A 1 ATOM 49 O O . GLU A 0 7 . 4.037 14.518 0.154 1.00 96.10 7 A 1 ATOM 50 C CG . GLU A 0 7 . 5.305 10.468 1.604 1.00 96.10 7 A 1 ATOM 51 C CD . GLU A 0 7 . 6.329 10.851 2.676 1.00 96.10 7 A 1 ATOM 52 O OE1 . GLU A 0 7 . 6.346 10.109 3.688 1.00 96.10 7 A 1 ATOM 53 O OE2 . GLU A 0 7 . 7.086 11.821 2.455 1.00 96.10 7 A 1 ATOM 54 N N . ARG A 0 8 . 2.019 13.852 0.881 1.00 95.85 8 A 1 ATOM 55 C CA . ARG A 0 8 . 1.193 14.819 0.136 1.00 95.85 8 A 1 ATOM 56 C C . ARG A 0 8 . 1.281 14.723 -1.393 1.00 95.85 8 A 1 ATOM 57 C CB . ARG A 0 8 . 1.464 16.255 0.621 1.00 95.85 8 A 1 ATOM 58 O O . ARG A 0 8 . 0.854 15.651 -2.074 1.00 95.85 8 A 1 ATOM 59 C CG . ARG A 0 8 . 1.352 16.435 2.142 1.00 95.85 8 A 1 ATOM 60 C CD . ARG A 0 8 . 1.703 17.870 2.547 1.00 95.85 8 A 1 ATOM 61 N NE . ARG A 0 8 . 0.772 18.856 1.962 1.00 95.85 8 A 1 ATOM 62 N NH1 . ARG A 0 8 . 1.728 20.732 2.866 1.00 95.85 8 A 1 ATOM 63 N NH2 . ARG A 0 8 . -0.058 20.934 1.540 1.00 95.85 8 A 1 ATOM 64 C CZ . ARG A 0 8 . 0.817 20.165 2.125 1.00 95.85 8 A 1 ATOM 65 N N . ASP A 0 9 . 1.765 13.610 -1.933 1.00 96.91 9 A 1 ATOM 66 C CA . ASP A 0 9 . 1.841 13.343 -3.376 1.00 96.91 9 A 1 ATOM 67 C C . ASP A 0 9 . 0.728 12.407 -3.885 1.00 96.91 9 A 1 ATOM 68 C CB . ASP A 0 9 . 3.243 12.817 -3.720 1.00 96.91 9 A 1 ATOM 69 O O . ASP A 0 9 . 0.554 12.252 -5.092 1.00 96.91 9 A 1 ATOM 70 C CG . ASP A 0 9 . 3.606 11.506 -3.022 1.00 96.91 9 A 1 ATOM 71 O OD1 . ASP A 0 9 . 2.739 10.913 -2.345 1.00 96.91 9 A 1 ATOM 72 O OD2 . ASP A 0 9 . 4.776 11.087 -3.134 1.00 96.91 9 A 1 ATOM 73 N N . GLY A 0 10 . -0.052 11.796 -2.984 1.00 95.13 10 A 1 ATOM 74 C CA . GLY A 0 10 . -1.118 10.855 -3.333 1.00 95.13 10 A 1 ATOM 75 C C . GLY A 0 10 . -0.624 9.504 -3.859 1.00 95.13 10 A 1 ATOM 76 O O . GLY A 0 10 . -1.432 8.715 -4.351 1.00 95.13 10 A 1 ATOM 77 N N . ASP A 0 11 . 0.674 9.209 -3.755 1.00 96.57 11 A 1 ATOM 78 C CA . ASP A 0 11 . 1.237 7.954 -4.242 1.00 96.57 11 A 1 ATOM 79 C C . ASP A 0 11 . 0.822 6.779 -3.341 1.00 96.57 11 A 1 ATOM 80 C CB . ASP A 0 11 . 2.758 8.088 -4.384 1.00 96.57 11 A 1 ATOM 81 O O . ASP A 0 11 . 1.334 6.601 -2.233 1.00 96.57 11 A 1 ATOM 82 C CG . ASP A 0 11 . 3.410 6.852 -5.011 1.00 96.57 11 A 1 ATOM 83 O OD1 . ASP A 0 11 . 2.706 5.837 -5.251 1.00 96.57 11 A 1 ATOM 84 O OD2 . ASP A 0 11 . 4.641 6.893 -5.207 1.00 96.57 11 A 1 ATOM 85 N N . VAL A 0 12 . -0.109 5.955 -3.830 1.00 95.86 12 A 1 ATOM 86 C CA . VAL A 0 12 . -0.617 4.762 -3.130 1.00 95.86 12 A 1 ATOM 87 C C . VAL A 0 12 . 0.444 3.669 -2.956 1.00 95.86 12 A 1 ATOM 88 C CB . VAL A 0 12 . -1.869 4.222 -3.852 1.00 95.86 12 A 1 ATOM 89 O O . VAL A 0 12 . 0.269 2.764 -2.139 1.00 95.86 12 A 1 ATOM 90 C CG1 . VAL A 0 12 . -1.544 3.530 -5.185 1.00 95.86 12 A 1 ATOM 91 C CG2 . VAL A 0 12 . -2.696 3.275 -2.971 1.00 95.86 12 A 1 ATOM 92 N N . THR A 0 13 . 1.549 3.727 -3.707 1.00 95.60 13 A 1 ATOM 93 C CA . THR A 0 13 . 2.638 2.748 -3.599 1.00 95.60 13 A 1 ATOM 94 C C . THR A 0 13 . 3.517 2.968 -2.370 1.00 95.60 13 A 1 ATOM 95 C CB . THR A 0 13 . 3.492 2.668 -4.868 1.00 95.60 13 A 1 ATOM 96 O O . THR A 0 13 . 4.246 2.061 -1.961 1.00 95.60 13 A 1 ATOM 97 C CG2 . THR A 0 13 . 2.675 2.522 -6.152 1.00 95.60 13 A 1 ATOM 98 O OG1 . THR A 0 13 . 4.350 3.767 -4.998 1.00 95.60 13 A 1 ATOM 99 N N . LYS A 0 14 . 3.399 4.140 -1.734 1.00 96.61 14 A 1 ATOM 100 C CA . LYS A 0 14 . 4.082 4.482 -0.487 1.00 96.61 14 A 1 ATOM 101 C C . LYS A 0 14 . 3.230 4.093 0.715 1.00 96.61 14 A 1 ATOM 102 C CB . LYS A 0 14 . 4.427 5.976 -0.471 1.00 96.61 14 A 1 ATOM 103 O O . LYS A 0 14 . 2.112 4.577 0.899 1.00 96.61 14 A 1 ATOM 104 C CG . LYS A 0 14 . 5.381 6.345 -1.614 1.00 96.61 14 A 1 ATOM 105 C CD . LYS A 0 14 . 5.735 7.830 -1.557 1.00 96.61 14 A 1 ATOM 106 C CE . LYS A 0 14 . 6.625 8.181 -2.747 1.00 96.61 14 A 1 ATOM 107 N NZ . LYS A 0 14 . 6.947 9.623 -2.738 1.00 96.61 14 A 1 ATOM 108 N N . TRP A 0 15 . 3.796 3.263 1.590 1.00 96.19 15 A 1 ATOM 109 C CA . TRP A 0 15 . 3.129 2.833 2.822 1.00 96.19 15 A 1 ATOM 110 C C . TRP A 0 15 . 2.703 4.008 3.715 1.00 96.19 15 A 1 ATOM 111 C CB . TRP A 0 15 . 4.042 1.879 3.599 1.00 96.19 15 A 1 ATOM 112 O O . TRP A 0 15 . 1.604 3.977 4.263 1.00 96.19 15 A 1 ATOM 113 C CG . TRP A 0 15 . 3.509 1.507 4.948 1.00 96.19 15 A 1 ATOM 114 C CD1 . TRP A 0 15 . 4.032 1.890 6.136 1.00 96.19 15 A 1 ATOM 115 C CD2 . TRP A 0 15 . 2.304 0.746 5.268 1.00 96.19 15 A 1 ATOM 116 C CE2 . TRP A 0 15 . 2.161 0.707 6.688 1.00 96.19 15 A 1 ATOM 117 C CE3 . TRP A 0 15 . 1.314 0.091 4.503 1.00 96.19 15 A 1 ATOM 118 N NE1 . TRP A 0 15 . 3.242 1.415 7.165 1.00 96.19 15 A 1 ATOM 119 C CH2 . TRP A 0 15 . 0.126 -0.591 6.528 1.00 96.19 15 A 1 ATOM 120 C CZ2 . TRP A 0 15 . 1.094 0.052 7.318 1.00 96.19 15 A 1 ATOM 121 C CZ3 . TRP A 0 15 . 0.237 -0.570 5.126 1.00 96.19 15 A 1 ATOM 122 N N . SER A 0 16 . 3.516 5.067 3.824 1.00 97.37 16 A 1 ATOM 123 C CA . SER A 0 16 . 3.193 6.248 4.640 1.00 97.37 16 A 1 ATOM 124 C C . SER A 0 16 . 1.898 6.935 4.185 1.00 97.37 16 A 1 ATOM 125 C CB . SER A 0 16 . 4.367 7.242 4.640 1.00 97.37 16 A 1 ATOM 126 O O . SER A 0 16 . 1.070 7.322 5.014 1.00 97.37 16 A 1 ATOM 127 O OG . SER A 0 16 . 4.736 7.624 3.330 1.00 97.37 16 A 1 ATOM 128 N N . ASN A 0 17 . 1.659 7.009 2.874 1.00 97.42 17 A 1 ATOM 129 C CA . ASN A 0 17 . 0.415 7.533 2.318 1.00 97.42 17 A 1 ATOM 130 C C . ASN A 0 17 . -0.767 6.598 2.564 1.00 97.42 17 A 1 ATOM 131 C CB . ASN A 0 17 . 0.599 7.786 0.820 1.00 97.42 17 A 1 ATOM 132 O O . ASN A 0 17 . -1.825 7.062 2.994 1.00 97.42 17 A 1 ATOM 133 C CG . ASN A 0 17 . 1.517 8.948 0.522 1.00 97.42 17 A 1 ATOM 134 N ND2 . ASN A 0 17 . 2.025 8.955 -0.677 1.00 97.42 17 A 1 ATOM 135 O OD1 . ASN A 0 17 . 1.733 9.829 1.345 1.00 97.42 17 A 1 ATOM 136 N N . LEU A 0 18 . -0.582 5.294 2.343 1.00 95.88 18 A 1 ATOM 137 C CA . LEU A 0 18 . -1.639 4.303 2.527 1.00 95.88 18 A 1 ATOM 138 C C . LEU A 0 18 . -2.092 4.198 3.991 1.00 95.88 18 A 1 ATOM 139 C CB . LEU A 0 18 . -1.149 2.954 1.976 1.00 95.88 18 A 1 ATOM 140 O O . LEU A 0 18 . -3.290 4.205 4.265 1.00 95.88 18 A 1 ATOM 141 C CG . LEU A 0 18 . -2.231 1.862 1.984 1.00 95.88 18 A 1 ATOM 142 C CD1 . LEU A 0 18 . -3.444 2.267 1.151 1.00 95.88 18 A 1 ATOM 143 C CD2 . LEU A 0 18 . -1.661 0.573 1.395 1.00 95.88 18 A 1 ATOM 144 N N . ALA A 0 19 . -1.150 4.170 4.935 1.00 96.90 19 A 1 ATOM 145 C CA . ALA A 0 19 . -1.434 4.149 6.368 1.00 96.90 19 A 1 ATOM 146 C C . ALA A 0 19 . -2.116 5.445 6.835 1.00 96.90 19 A 1 ATOM 147 C CB . ALA A 0 19 . -0.114 3.915 7.110 1.00 96.90 19 A 1 ATOM 148 O O . ALA A 0 19 . -3.072 5.409 7.612 1.00 96.90 19 A 1 ATOM 149 N N . SER A 0 20 . -1.670 6.595 6.320 1.00 97.18 20 A 1 ATOM 150 C CA . SER A 0 20 . -2.306 7.890 6.581 1.00 97.18 20 A 1 ATOM 151 C C . SER A 0 20 . -3.754 7.918 6.076 1.00 97.18 20 A 1 ATOM 152 C CB . SER A 0 20 . -1.457 8.990 5.938 1.00 97.18 20 A 1 ATOM 153 O O . SER A 0 20 . -4.654 8.353 6.798 1.00 97.18 20 A 1 ATOM 154 O OG . SER A 0 20 . -2.048 10.262 6.098 1.00 97.18 20 A 1 ATOM 155 N N . PHE A 0 21 . -3.998 7.400 4.869 1.00 96.85 21 A 1 ATOM 156 C CA . PHE A 0 21 . -5.340 7.275 4.300 1.00 96.85 21 A 1 ATOM 157 C C . PHE A 0 21 . -6.224 6.318 5.109 1.00 96.85 21 A 1 ATOM 158 C CB . PHE A 0 21 . -5.226 6.840 2.833 1.00 96.85 21 A 1 ATOM 159 O O . PHE A 0 21 . -7.348 6.676 5.450 1.00 96.85 21 A 1 ATOM 160 C CG . PHE A 0 21 . -6.561 6.769 2.118 1.00 96.85 21 A 1 ATOM 161 C CD1 . PHE A 0 21 . -7.070 5.532 1.679 1.00 96.85 21 A 1 ATOM 162 C CD2 . PHE A 0 21 . -7.305 7.944 1.903 1.00 96.85 21 A 1 ATOM 163 C CE1 . PHE A 0 21 . -8.310 5.476 1.019 1.00 96.85 21 A 1 ATOM 164 C CE2 . PHE A 0 21 . -8.543 7.889 1.241 1.00 96.85 21 A 1 ATOM 165 C CZ . PHE A 0 21 . -9.044 6.654 0.795 1.00 96.85 21 A 1 ATOM 166 N N . ALA A 0 22 . -5.703 5.159 5.513 1.00 95.92 22 A 1 ATOM 167 C CA . ALA A 0 22 . -6.422 4.212 6.364 1.00 95.92 22 A 1 ATOM 168 C C . ALA A 0 22 . -6.817 4.813 7.717 1.00 95.92 22 A 1 ATOM 169 C CB . ALA A 0 22 . -5.546 2.972 6.539 1.00 95.92 22 A 1 ATOM 170 O O . ALA A 0 22 . -7.949 4.665 8.173 1.00 95.92 22 A 1 ATOM 171 N N . SER A 0 23 . -5.905 5.564 8.338 1.00 96.20 23 A 1 ATOM 172 C CA . SER A 0 23 . -6.172 6.284 9.583 1.00 96.20 23 A 1 ATOM 173 C C . SER A 0 23 . -7.261 7.351 9.408 1.00 96.20 23 A 1 ATOM 174 C CB . SER A 0 23 . -4.865 6.919 10.058 1.00 96.20 23 A 1 ATOM 175 O O . SER A 0 23 . -8.122 7.514 10.274 1.00 96.20 23 A 1 ATOM 176 O OG . SER A 0 23 . -5.003 7.419 11.371 1.00 96.20 23 A 1 ATOM 177 N N . PHE A 0 24 . -7.251 8.061 8.276 1.00 96.22 24 A 1 ATOM 178 C CA . PHE A 0 24 . -8.301 9.011 7.916 1.00 96.22 24 A 1 ATOM 179 C C . PHE A 0 24 . -9.663 8.317 7.766 1.00 96.22 24 A 1 ATOM 180 C CB . PHE A 0 24 . -7.876 9.783 6.656 1.00 96.22 24 A 1 ATOM 181 O O . PHE A 0 24 . -10.618 8.725 8.425 1.00 96.22 24 A 1 ATOM 182 C CG . PHE A 0 24 . -8.959 10.676 6.094 1.00 96.22 24 A 1 ATOM 183 C CD1 . PHE A 0 24 . -9.750 10.234 5.017 1.00 96.22 24 A 1 ATOM 184 C CD2 . PHE A 0 24 . -9.199 11.937 6.669 1.00 96.22 24 A 1 ATOM 185 C CE1 . PHE A 0 24 . -10.784 11.048 4.524 1.00 96.22 24 A 1 ATOM 186 C CE2 . PHE A 0 24 . -10.233 12.751 6.176 1.00 96.22 24 A 1 ATOM 187 C CZ . PHE A 0 24 . -11.027 12.304 5.106 1.00 96.22 24 A 1 ATOM 188 N N . ILE A 0 25 . -9.741 7.229 6.993 1.00 95.96 25 A 1 ATOM 189 C CA . ILE A 0 25 . -10.976 6.453 6.809 1.00 95.96 25 A 1 ATOM 190 C C . ILE A 0 25 . -11.486 5.884 8.135 1.00 95.96 25 A 1 ATOM 191 C CB . ILE A 0 25 . -10.761 5.343 5.754 1.00 95.96 25 A 1 ATOM 192 O O . ILE A 0 25 . -12.677 6.004 8.421 1.00 95.96 25 A 1 ATOM 193 C CG1 . ILE A 0 25 . -10.504 5.916 4.339 1.00 95.96 25 A 1 ATOM 194 C CG2 . ILE A 0 25 . -11.943 4.356 5.718 1.00 95.96 25 A 1 ATOM 195 C CD1 . ILE A 0 25 . -11.642 6.749 3.731 1.00 95.96 25 A 1 ATOM 196 N N . GLY A 0 26 . -10.612 5.325 8.976 1.00 95.55 26 A 1 ATOM 197 C CA . GLY A 0 26 . -10.984 4.801 10.293 1.00 95.55 26 A 1 ATOM 198 C C . GLY A 0 26 . -11.651 5.864 11.170 1.00 95.55 26 A 1 ATOM 199 O O . GLY A 0 26 . -12.763 5.654 11.653 1.00 95.55 26 A 1 ATOM 200 N N . ARG A 0 27 . -11.048 7.059 11.275 1.00 95.45 27 A 1 ATOM 201 C CA . ARG A 0 27 . -11.643 8.193 12.007 1.00 95.45 27 A 1 ATOM 202 C C . ARG A 0 27 . -12.980 8.647 11.422 1.00 95.45 27 A 1 ATOM 203 C CB . ARG A 0 27 . -10.679 9.386 12.040 1.00 95.45 27 A 1 ATOM 204 O O . ARG A 0 27 . -13.874 9.013 12.174 1.00 95.45 27 A 1 ATOM 205 C CG . ARG A 0 27 . -9.494 9.170 12.991 1.00 95.45 27 A 1 ATOM 206 C CD . ARG A 0 27 . -8.708 10.476 13.186 1.00 95.45 27 A 1 ATOM 207 N NE . ARG A 0 27 . -8.073 10.948 11.936 1.00 95.45 27 A 1 ATOM 208 N NH1 . ARG A 0 27 . -6.098 9.835 12.183 1.00 95.45 27 A 1 ATOM 209 N NH2 . ARG A 0 27 . -6.449 11.014 10.328 1.00 95.45 27 A 1 ATOM 210 C CZ . ARG A 0 27 . -6.881 10.601 11.486 1.00 95.45 27 A 1 ATOM 211 N N . SER A 0 28 . -13.124 8.628 10.099 1.00 94.98 28 A 1 ATOM 212 C CA . SER A 0 28 . -14.345 9.076 9.418 1.00 94.98 28 A 1 ATOM 213 C C . SER A 0 28 . -15.474 8.041 9.399 1.00 94.98 28 A 1 ATOM 214 C CB . SER A 0 28 . -14.010 9.496 7.987 1.00 94.98 28 A 1 ATOM 215 O O . SER A 0 28 . -16.607 8.398 9.092 1.00 94.98 28 A 1 ATOM 216 O OG . SER A 0 28 . -13.144 10.614 8.001 1.00 94.98 28 A 1 ATOM 217 N N . THR A 0 29 . -15.190 6.773 9.704 1.00 94.79 29 A 1 ATOM 218 C CA . THR A 0 29 . -16.158 5.663 9.615 1.00 94.79 29 A 1 ATOM 219 C C . THR A 0 29 . -16.377 4.953 10.951 1.00 94.79 29 A 1 ATOM 220 C CB . THR A 0 29 . -15.776 4.655 8.514 1.00 94.79 29 A 1 ATOM 221 O O . THR A 0 29 . -16.893 3.839 10.967 1.00 94.79 29 A 1 ATOM 222 C CG2 . THR A 0 29 . -15.736 5.288 7.122 1.00 94.79 29 A 1 ATOM 223 O OG1 . THR A 0 29 . -14.509 4.091 8.773 1.00 94.79 29 A 1 ATOM 224 N N . ASN A 0 30 . -15.981 5.562 12.077 1.00 94.00 30 A 1 ATOM 225 C CA . ASN A 0 30 . -15.991 4.927 13.404 1.00 94.00 30 A 1 ATOM 226 C C . ASN A 0 30 . -15.321 3.540 13.390 1.00 94.00 30 A 1 ATOM 227 C CB . ASN A 0 30 . -17.420 4.919 13.981 1.00 94.00 30 A 1 ATOM 228 O O . ASN A 0 30 . -15.828 2.582 13.968 1.00 94.00 30 A 1 ATOM 229 C CG . ASN A 0 30 . -17.956 6.303 14.280 1.00 94.00 30 A 1 ATOM 230 N ND2 . ASN A 0 30 . -19.252 6.439 14.431 1.00 94.00 30 A 1 ATOM 231 O OD1 . ASN A 0 30 . -17.232 7.275 14.403 1.00 94.00 30 A 1 ATOM 232 N N . ASN A 0 31 . -14.195 3.430 12.678 1.00 92.77 31 A 1 ATOM 233 C CA . ASN A 0 31 . -13.435 2.200 12.445 1.00 92.77 31 A 1 ATOM 234 C C . ASN A 0 31 . -14.213 1.067 11.748 1.00 92.77 31 A 1 ATOM 235 C CB . ASN A 0 31 . -12.758 1.753 13.752 1.00 92.77 31 A 1 ATOM 236 O O . ASN A 0 31 . -13.742 -0.068 11.727 1.00 92.77 31 A 1 ATOM 237 C CG . ASN A 0 31 . -11.833 2.806 14.325 1.00 92.77 31 A 1 ATOM 238 N ND2 . ASN A 0 31 . -11.832 2.976 15.626 1.00 92.77 31 A 1 ATOM 239 O OD1 . ASN A 0 31 . -11.096 3.482 13.622 1.00 92.77 31 A 1 ATOM 240 N N . ALA A 0 32 . -15.374 1.347 11.150 1.00 94.11 32 A 1 ATOM 241 C CA . ALA A 0 32 . -16.127 0.348 10.398 1.00 94.11 32 A 1 ATOM 242 C C . ALA A 0 32 . -15.551 0.111 8.992 1.00 94.11 32 A 1 ATOM 243 C CB . ALA A 0 32 . -17.597 0.776 10.338 1.00 94.11 32 A 1 ATOM 244 O O . ALA A 0 32 . -15.764 -0.962 8.433 1.00 94.11 32 A 1 ATOM 245 N N . GLY A 0 33 . -14.842 1.091 8.423 1.00 94.79 33 A 1 ATOM 246 C CA . GLY A 0 33 . -14.391 1.073 7.033 1.00 94.79 33 A 1 ATOM 247 C C . GLY A 0 33 . -15.473 1.527 6.047 1.00 94.79 33 A 1 ATOM 248 O O . GLY A 0 33 . -16.602 1.856 6.419 1.00 94.79 33 A 1 ATOM 249 N N . VAL A 0 34 . -15.119 1.574 4.763 1.00 95.86 34 A 1 ATOM 250 C CA . VAL A 0 34 . -16.031 1.965 3.679 1.00 95.86 34 A 1 ATOM 251 C C . VAL A 0 34 . -16.798 0.761 3.133 1.00 95.86 34 A 1 ATOM 252 C CB . VAL A 0 34 . -15.320 2.743 2.553 1.00 95.86 34 A 1 ATOM 253 O O . VAL A 0 34 . -16.289 -0.357 3.098 1.00 95.86 34 A 1 ATOM 254 C CG1 . VAL A 0 34 . -14.734 4.056 3.081 1.00 95.86 34 A 1 ATOM 255 C CG2 . VAL A 0 34 . -14.205 1.961 1.850 1.00 95.86 34 A 1 ATOM 256 N N . HIS A 0 35 . -18.030 0.989 2.671 1.00 94.97 35 A 1 ATOM 257 C CA . HIS A 0 35 . -18.849 -0.057 2.043 1.00 94.97 35 A 1 ATOM 258 C C . HIS A 0 35 . -18.327 -0.458 0.660 1.00 94.97 35 A 1 ATOM 259 C CB . HIS A 0 35 . -20.299 0.437 1.921 1.00 94.97 35 A 1 ATOM 260 O O . HIS A 0 35 . -18.417 -1.617 0.273 1.00 94.97 35 A 1 ATOM 261 C CG . HIS A 0 35 . -20.951 0.673 3.256 1.00 94.97 35 A 1 ATOM 262 C CD2 . HIS A 0 35 . -21.462 -0.288 4.087 1.00 94.97 35 A 1 ATOM 263 N ND1 . HIS A 0 35 . -21.098 1.883 3.896 1.00 94.97 35 A 1 ATOM 264 C CE1 . HIS A 0 35 . -21.674 1.652 5.088 1.00 94.97 35 A 1 ATOM 265 N NE2 . HIS A 0 35 . -21.902 0.338 5.261 1.00 94.97 35 A 1 ATOM 266 N N . ILE A 0 36 . -17.804 0.513 -0.090 1.00 95.01 36 A 1 ATOM 267 C CA . ILE A 0 36 . -17.291 0.328 -1.444 1.00 95.01 36 A 1 ATOM 268 C C . ILE A 0 36 . -16.003 1.137 -1.562 1.00 95.01 36 A 1 ATOM 269 C CB . ILE A 0 36 . -18.340 0.746 -2.507 1.00 95.01 36 A 1 ATOM 270 O O . ILE A 0 36 . -15.957 2.300 -1.159 1.00 95.01 36 A 1 ATOM 271 C CG1 . ILE A 0 36 . -19.647 -0.071 -2.354 1.00 95.01 36 A 1 ATOM 272 C CG2 . ILE A 0 36 . -17.758 0.580 -3.925 1.00 95.01 36 A 1 ATOM 273 C CD1 . ILE A 0 36 . -20.771 0.316 -3.321 1.00 95.01 36 A 1 ATOM 274 N N . LEU A 0 37 . -14.975 0.522 -2.139 1.00 95.53 37 A 1 ATOM 275 C CA . LEU A 0 37 . -13.741 1.181 -2.538 1.00 95.53 37 A 1 ATOM 276 C C . LEU A 0 37 . -13.585 1.023 -4.048 1.00 95.53 37 A 1 ATOM 277 C CB . LEU A 0 37 . -12.563 0.614 -1.727 1.00 95.53 37 A 1 ATOM 278 O O . LEU A 0 37 . -13.698 -0.080 -4.576 1.00 95.53 37 A 1 ATOM 279 C CG . LEU A 0 37 . -11.242 1.358 -2.012 1.00 95.53 37 A 1 ATOM 280 C CD1 . LEU A 0 37 . -10.422 1.503 -0.731 1.00 95.53 37 A 1 ATOM 281 C CD2 . LEU A 0 37 . -10.382 0.646 -3.059 1.00 95.53 37 A 1 ATOM 282 N N . MET A 0 38 . -13.334 2.133 -4.735 1.00 95.52 38 A 1 ATOM 283 C CA . MET A 0 38 . -13.088 2.154 -6.174 1.00 95.52 38 A 1 ATOM 284 C C . MET A 0 38 . -11.628 2.502 -6.436 1.00 95.52 38 A 1 ATOM 285 C CB . MET A 0 38 . -14.032 3.145 -6.867 1.00 95.52 38 A 1 ATOM 286 O O . MET A 0 38 . -11.077 3.403 -5.805 1.00 95.52 38 A 1 ATOM 287 C CG . MET A 0 38 . -15.478 2.640 -6.858 1.00 95.52 38 A 1 ATOM 288 S SD . MET A 0 38 . -16.647 3.728 -7.715 1.00 95.52 38 A 1 ATOM 289 C CE . MET A 0 38 . -16.994 4.938 -6.412 1.00 95.52 38 A 1 ATOM 290 N N . ALA A 0 39 . -11.015 1.798 -7.384 1.00 95.34 39 A 1 ATOM 291 C CA . ALA A 0 39 . -9.652 2.049 -7.818 1.00 95.34 39 A 1 ATOM 292 C C . ALA A 0 39 . -9.557 1.859 -9.339 1.00 95.34 39 A 1 ATOM 293 C CB . ALA A 0 39 . -8.711 1.135 -7.027 1.00 95.34 39 A 1 ATOM 294 O O . ALA A 0 39 . -10.099 0.904 -9.888 1.00 95.34 39 A 1 ATOM 295 N N . ASN A 0 40 . -8.912 2.810 -10.015 1.00 92.51 40 A 1 ATOM 296 C CA . ASN A 0 40 . -8.700 2.808 -11.466 1.00 92.51 40 A 1 ATOM 297 C C . ASN A 0 40 . -7.316 3.393 -11.797 1.00 92.51 40 A 1 ATOM 298 C CB . ASN A 0 40 . -9.855 3.559 -12.157 1.00 92.51 40 A 1 ATOM 299 O O . ASN A 0 40 . -7.159 4.236 -12.678 1.00 92.51 40 A 1 ATOM 300 C CG . ASN A 0 40 . -9.799 3.426 -13.672 1.00 92.51 40 A 1 ATOM 301 N ND2 . ASN A 0 40 . -10.335 4.378 -14.399 1.00 92.51 40 A 1 ATOM 302 O OD1 . ASN A 0 40 . -9.299 2.461 -14.225 1.00 92.51 40 A 1 ATOM 303 N N . GLY A 0 41 . -6.312 3.042 -10.990 1.00 89.91 41 A 1 ATOM 304 C CA . GLY A 0 41 . -4.966 3.578 -11.159 1.00 89.91 41 A 1 ATOM 305 C C . GLY A 0 41 . -4.275 2.949 -12.366 1.00 89.91 41 A 1 ATOM 306 O O . GLY A 0 41 . -4.177 1.724 -12.449 1.00 89.91 41 A 1 ATOM 307 N N . GLY A 0 42 . -3.735 3.792 -13.244 1.00 90.67 42 A 1 ATOM 308 C CA . GLY A 0 42 . -2.912 3.408 -14.386 1.00 90.67 42 A 1 ATOM 309 C C . GLY A 0 42 . -1.938 4.526 -14.749 1.00 90.67 42 A 1 ATOM 310 O O . GLY A 0 42 . -2.124 5.678 -14.366 1.00 90.67 42 A 1 ATOM 311 N N . PHE A 0 43 . -0.882 4.180 -15.473 1.00 89.82 43 A 1 ATOM 312 C CA . PHE A 0 43 . 0.114 5.127 -15.969 1.00 89.82 43 A 1 ATOM 313 C C . PHE A 0 43 . 0.498 4.763 -17.399 1.00 89.82 43 A 1 ATOM 314 C CB . PHE A 0 43 . 1.327 5.174 -15.029 1.00 89.82 43 A 1 ATOM 315 O O . PHE A 0 43 . 0.237 3.649 -17.862 1.00 89.82 43 A 1 ATOM 316 C CG . PHE A 0 43 . 1.937 3.822 -14.732 1.00 89.82 43 A 1 ATOM 317 C CD1 . PHE A 0 43 . 1.497 3.096 -13.612 1.00 89.82 43 A 1 ATOM 318 C CD2 . PHE A 0 43 . 2.929 3.288 -15.571 1.00 89.82 43 A 1 ATOM 319 C CE1 . PHE A 0 43 . 2.052 1.842 -13.314 1.00 89.82 43 A 1 ATOM 320 C CE2 . PHE A 0 43 . 3.481 2.033 -15.278 1.00 89.82 43 A 1 ATOM 321 C CZ . PHE A 0 43 . 3.050 1.316 -14.148 1.00 89.82 43 A 1 ATOM 322 N N . ASN A 0 44 . 1.084 5.719 -18.117 1.00 89.81 44 A 1 ATOM 323 C CA . ASN A 0 44 . 1.431 5.521 -19.514 1.00 89.81 44 A 1 ATOM 324 C C . ASN A 0 44 . 2.522 4.447 -19.662 1.00 89.81 44 A 1 ATOM 325 C CB . ASN A 0 44 . 1.841 6.859 -20.147 1.00 89.81 44 A 1 ATOM 326 O O . ASN A 0 44 . 3.614 4.573 -19.114 1.00 89.81 44 A 1 ATOM 327 C CG . ASN A 0 44 . 2.075 6.712 -21.640 1.00 89.81 44 A 1 ATOM 328 N ND2 . ASN A 0 44 . 2.755 7.646 -22.256 1.00 89.81 44 A 1 ATOM 329 O OD1 . ASN A 0 44 . 1.658 5.752 -22.267 1.00 89.81 44 A 1 ATOM 330 N N . VAL A 0 45 . 2.214 3.412 -20.437 1.00 86.74 45 A 1 ATOM 331 C CA . VAL A 0 45 . 3.094 2.280 -20.765 1.00 86.74 45 A 1 ATOM 332 C C . VAL A 0 45 . 3.190 2.080 -22.281 1.00 86.74 45 A 1 ATOM 333 C CB . VAL A 0 45 . 2.633 0.992 -20.054 1.00 86.74 45 A 1 ATOM 334 O O . VAL A 0 45 . 3.469 0.978 -22.745 1.00 86.74 45 A 1 ATOM 335 C CG1 . VAL A 0 45 . 2.838 1.062 -18.538 1.00 86.74 45 A 1 ATOM 336 C CG2 . VAL A 0 45 . 1.157 0.716 -20.358 1.00 86.74 45 A 1 ATOM 337 N N . SER A 0 46 . 2.932 3.127 -23.075 1.00 86.19 46 A 1 ATOM 338 C CA . SER A 0 46 . 2.848 3.045 -24.540 1.00 86.19 46 A 1 ATOM 339 C C . SER A 0 46 . 4.090 2.436 -25.200 1.00 86.19 46 A 1 ATOM 340 C CB . SER A 0 46 . 2.586 4.435 -25.131 1.00 86.19 46 A 1 ATOM 341 O O . SER A 0 46 . 3.962 1.694 -26.169 1.00 86.19 46 A 1 ATOM 342 O OG . SER A 0 46 . 3.603 5.356 -24.768 1.00 86.19 46 A 1 ATOM 343 N N . SER A 0 47 . 5.283 2.683 -24.653 1.00 85.88 47 A 1 ATOM 344 C CA . SER A 0 47 . 6.545 2.126 -25.160 1.00 85.88 47 A 1 ATOM 345 C C . SER A 0 47 . 6.718 0.628 -24.892 1.00 85.88 47 A 1 ATOM 346 C CB . SER A 0 47 . 7.721 2.888 -24.542 1.00 85.88 47 A 1 ATOM 347 O O . SER A 0 47 . 7.525 -0.025 -25.548 1.00 85.88 47 A 1 ATOM 348 O OG . SER A 0 47 . 7.684 2.800 -23.127 1.00 85.88 47 A 1 ATOM 349 N N . GLN A 0 48 . 5.988 0.073 -23.923 1.00 86.69 48 A 1 ATOM 350 C CA . GLN A 0 48 . 6.128 -1.305 -23.457 1.00 86.69 48 A 1 ATOM 351 C C . GLN A 0 48 . 4.754 -1.914 -23.159 1.00 86.69 48 A 1 ATOM 352 C CB . GLN A 0 48 . 7.066 -1.374 -22.239 1.00 86.69 48 A 1 ATOM 353 O O . GLN A 0 48 . 4.540 -2.510 -22.103 1.00 86.69 48 A 1 ATOM 354 C CG . GLN A 0 48 . 8.491 -0.878 -22.515 1.00 86.69 48 A 1 ATOM 355 C CD . GLN A 0 48 . 9.420 -1.041 -21.316 1.00 86.69 48 A 1 ATOM 356 N NE2 . GLN A 0 48 . 10.557 -0.384 -21.320 1.00 86.69 48 A 1 ATOM 357 O OE1 . GLN A 0 48 . 9.165 -1.756 -20.363 1.00 86.69 48 A 1 ATOM 358 N N . TYR A 0 49 . 3.810 -1.773 -24.095 1.00 85.77 49 A 1 ATOM 359 C CA . TYR A 0 49 . 2.426 -2.223 -23.913 1.00 85.77 49 A 1 ATOM 360 C C . TYR A 0 49 . 2.334 -3.694 -23.471 1.00 85.77 49 A 1 ATOM 361 C CB . TYR A 0 49 . 1.657 -2.001 -25.220 1.00 85.77 49 A 1 ATOM 362 O O . TYR A 0 49 . 1.640 -4.019 -22.510 1.00 85.77 49 A 1 ATOM 363 C CG . TYR A 0 49 . 0.198 -2.386 -25.107 1.00 85.77 49 A 1 ATOM 364 C CD1 . TYR A 0 49 . -0.241 -3.652 -25.543 1.00 85.77 49 A 1 ATOM 365 C CD2 . TYR A 0 49 . -0.711 -1.488 -24.515 1.00 85.77 49 A 1 ATOM 366 C CE1 . TYR A 0 49 . -1.593 -4.016 -25.390 1.00 85.77 49 A 1 ATOM 367 C CE2 . TYR A 0 49 . -2.062 -1.850 -24.361 1.00 85.77 49 A 1 ATOM 368 O OH . TYR A 0 49 . -3.805 -3.475 -24.648 1.00 85.77 49 A 1 ATOM 369 C CZ . TYR A 0 49 . -2.504 -3.117 -24.798 1.00 85.77 49 A 1 ATOM 370 N N . ASN A 0 50 . 3.131 -4.572 -24.090 1.00 87.58 50 A 1 ATOM 371 C CA . ASN A 0 50 . 3.187 -6.000 -23.750 1.00 87.58 50 A 1 ATOM 372 C C . ASN A 0 50 . 3.624 -6.260 -22.295 1.00 87.58 50 A 1 ATOM 373 C CB . ASN A 0 50 . 4.144 -6.701 -24.732 1.00 87.58 50 A 1 ATOM 374 O O . ASN A 0 50 . 3.288 -7.293 -21.719 1.00 87.58 50 A 1 ATOM 375 C CG . ASN A 0 50 . 3.660 -6.663 -26.171 1.00 87.58 50 A 1 ATOM 376 N ND2 . ASN A 0 50 . 4.540 -6.860 -27.124 1.00 87.58 50 A 1 ATOM 377 O OD1 . ASN A 0 50 . 2.501 -6.437 -26.462 1.00 87.58 50 A 1 ATOM 378 N N . LEU A 0 51 . 4.355 -5.321 -21.689 1.00 90.49 51 A 1 ATOM 379 C CA . LEU A 0 51 . 4.834 -5.393 -20.311 1.00 90.49 51 A 1 ATOM 380 C C . LEU A 0 51 . 3.958 -4.606 -19.332 1.00 90.49 51 A 1 ATOM 381 C CB . LEU A 0 51 . 6.302 -4.940 -20.237 1.00 90.49 51 A 1 ATOM 382 O O . LEU A 0 51 . 4.269 -4.602 -18.143 1.00 90.49 51 A 1 ATOM 383 C CG . LEU A 0 51 . 7.283 -5.774 -21.078 1.00 90.49 51 A 1 ATOM 384 C CD1 . LEU A 0 51 . 8.688 -5.186 -20.964 1.00 90.49 51 A 1 ATOM 385 C CD2 . LEU A 0 51 . 7.336 -7.229 -20.607 1.00 90.49 51 A 1 ATOM 386 N N . GLN A 0 52 . 2.846 -4.001 -19.770 1.00 87.73 52 A 1 ATOM 387 C CA . GLN A 0 52 . 1.949 -3.213 -18.916 1.00 87.73 52 A 1 ATOM 388 C C . GLN A 0 52 . 1.647 -3.914 -17.589 1.00 87.73 52 A 1 ATOM 389 C CB . GLN A 0 52 . 0.633 -2.953 -19.666 1.00 87.73 52 A 1 ATOM 390 O O . GLN A 0 52 . 1.792 -3.330 -16.520 1.00 87.73 52 A 1 ATOM 391 C CG . GLN A 0 52 . -0.390 -2.199 -18.794 1.00 87.73 52 A 1 ATOM 392 C CD . GLN A 0 52 . -1.576 -1.682 -19.601 1.00 87.73 52 A 1 ATOM 393 N NE2 . GLN A 0 52 . -2.145 -0.556 -19.235 1.00 87.73 52 A 1 ATOM 394 O OE1 . GLN A 0 52 . -2.035 -2.295 -20.546 1.00 87.73 52 A 1 ATOM 395 N N . ARG A 0 53 . 1.284 -5.201 -17.642 1.00 83.42 53 A 1 ATOM 396 C CA . ARG A 0 53 . 0.968 -5.996 -16.446 1.00 83.42 53 A 1 ATOM 397 C C . ARG A 0 53 . 2.149 -6.103 -15.481 1.00 83.42 53 A 1 ATOM 398 C CB . ARG A 0 53 . 0.497 -7.385 -16.894 1.00 83.42 53 A 1 ATOM 399 O O . ARG A 0 53 . 1.955 -6.028 -14.272 1.00 83.42 53 A 1 ATOM 400 C CG . ARG A 0 53 . -0.069 -8.212 -15.727 1.00 83.42 53 A 1 ATOM 401 C CD . ARG A 0 53 . -0.455 -9.633 -16.166 1.00 83.42 53 A 1 ATOM 402 N NE . ARG A 0 53 . -1.371 -9.646 -17.325 1.00 83.42 53 A 1 ATOM 403 N NH1 . ARG A 0 53 . -3.310 -9.032 -16.248 1.00 83.42 53 A 1 ATOM 404 N NH2 . ARG A 0 53 . -3.318 -9.338 -18.458 1.00 83.42 53 A 1 ATOM 405 C CZ . ARG A 0 53 . -2.658 -9.341 -17.335 1.00 83.42 53 A 1 ATOM 406 N N . VAL A 0 54 . 3.355 -6.289 -16.014 1.00 90.15 54 A 1 ATOM 407 C CA . VAL A 0 54 . 4.584 -6.434 -15.225 1.00 90.15 54 A 1 ATOM 408 C C . VAL A 0 54 . 4.957 -5.103 -14.584 1.00 90.15 54 A 1 ATOM 409 C CB . VAL A 0 54 . 5.742 -6.964 -16.095 1.00 90.15 54 A 1 ATOM 410 O O . VAL A 0 54 . 5.275 -5.066 -13.399 1.00 90.15 54 A 1 ATOM 411 C CG1 . VAL A 0 54 . 7.034 -7.116 -15.284 1.00 90.15 54 A 1 ATOM 412 C CG2 . VAL A 0 54 . 5.395 -8.336 -16.690 1.00 90.15 54 A 1 ATOM 413 N N . ILE A 0 55 . 4.869 -4.007 -15.335 1.00 89.46 55 A 1 ATOM 414 C CA . ILE A 0 55 . 5.244 -2.677 -14.848 1.00 89.46 55 A 1 ATOM 415 C C . ILE A 0 55 . 4.209 -2.186 -13.821 1.00 89.46 55 A 1 ATOM 416 C CB . ILE A 0 55 . 5.443 -1.706 -16.035 1.00 89.46 55 A 1 ATOM 417 O O . ILE A 0 55 . 4.574 -1.685 -12.760 1.00 89.46 55 A 1 ATOM 418 C CG1 . ILE A 0 55 . 6.442 -2.255 -17.085 1.00 89.46 55 A 1 ATOM 419 C CG2 . ILE A 0 55 . 6.010 -0.367 -15.538 1.00 89.46 55 A 1 ATOM 420 C CD1 . ILE A 0 55 . 6.417 -1.475 -18.402 1.00 89.46 55 A 1 ATOM 421 N N . SER A 0 56 . 2.912 -2.407 -14.060 1.00 92.57 56 A 1 ATOM 422 C CA . SER A 0 56 . 1.826 -1.990 -13.158 1.00 92.57 56 A 1 ATOM 423 C C . SER A 0 56 . 1.603 -2.917 -11.955 1.00 92.57 56 A 1 ATOM 424 C CB . SER A 0 56 . 0.520 -1.793 -13.938 1.00 92.57 56 A 1 ATOM 425 O O . SER A 0 56 . 0.727 -2.641 -11.136 1.00 92.57 56 A 1 ATOM 426 O OG . SER A 0 56 . 0.696 -0.887 -15.013 1.00 92.57 56 A 1 ATOM 427 N N . LYS A 0 57 . 2.397 -3.987 -11.788 1.00 94.47 57 A 1 ATOM 428 C CA . LYS A 0 57 . 2.210 -4.987 -10.717 1.00 94.47 57 A 1 ATOM 429 C C . LYS A 0 57 . 2.165 -4.378 -9.314 1.00 94.47 57 A 1 ATOM 430 C CB . LYS A 0 57 . 3.287 -6.086 -10.818 1.00 94.47 57 A 1 ATOM 431 O O . LYS A 0 57 . 1.335 -4.772 -8.502 1.00 94.47 57 A 1 ATOM 432 C CG . LYS A 0 57 . 4.698 -5.635 -10.387 1.00 94.47 57 A 1 ATOM 433 C CD . LYS A 0 57 . 5.760 -6.700 -10.691 1.00 94.47 57 A 1 ATOM 434 C CE . LYS A 0 57 . 7.184 -6.142 -10.549 1.00 94.47 57 A 1 ATOM 435 N NZ . LYS A 0 57 . 7.555 -5.843 -9.141 1.00 94.47 57 A 1 ATOM 436 N N . GLN A 0 58 . 3.044 -3.411 -9.036 1.00 94.94 58 A 1 ATOM 437 C CA . GLN A 0 58 . 3.116 -2.758 -7.727 1.00 94.94 58 A 1 ATOM 438 C C . GLN A 0 58 . 1.868 -1.914 -7.485 1.00 94.94 58 A 1 ATOM 439 C CB . GLN A 0 58 . 4.390 -1.907 -7.653 1.00 94.94 58 A 1 ATOM 440 O O . GLN A 0 58 . 1.264 -1.997 -6.422 1.00 94.94 58 A 1 ATOM 441 C CG . GLN A 0 58 . 4.566 -1.215 -6.288 1.00 94.94 58 A 1 ATOM 442 C CD . GLN A 0 58 . 5.869 -0.426 -6.204 1.00 94.94 58 A 1 ATOM 443 N NE2 . GLN A 0 58 . 6.177 0.173 -5.077 1.00 94.94 58 A 1 ATOM 444 O OE1 . GLN A 0 58 . 6.640 -0.357 -7.146 1.00 94.94 58 A 1 ATOM 445 N N . LEU A 0 59 . 1.442 -1.160 -8.497 1.00 95.37 59 A 1 ATOM 446 C CA . LEU A 0 59 . 0.252 -0.330 -8.416 1.00 95.37 59 A 1 ATOM 447 C C . LEU A 0 59 . -1.008 -1.176 -8.173 1.00 95.37 59 A 1 ATOM 448 C CB . LEU A 0 59 . 0.195 0.522 -9.695 1.00 95.37 59 A 1 ATOM 449 O O . LEU A 0 59 . -1.806 -0.832 -7.305 1.00 95.37 59 A 1 ATOM 450 C CG . LEU A 0 59 . -1.049 1.406 -9.784 1.00 95.37 59 A 1 ATOM 451 C CD1 . LEU A 0 59 . -1.193 2.375 -8.608 1.00 95.37 59 A 1 ATOM 452 C CD2 . LEU A 0 59 . -1.037 2.213 -11.072 1.00 95.37 59 A 1 ATOM 453 N N . TYR A 0 60 . -1.171 -2.302 -8.874 1.00 94.86 60 A 1 ATOM 454 C CA . TYR A 0 60 . -2.299 -3.211 -8.640 1.00 94.86 60 A 1 ATOM 455 C C . TYR A 0 60 . -2.261 -3.844 -7.249 1.00 94.86 60 A 1 ATOM 456 C CB . TYR A 0 60 . -2.339 -4.297 -9.722 1.00 94.86 60 A 1 ATOM 457 O O . TYR A 0 60 . -3.286 -3.881 -6.573 1.00 94.86 60 A 1 ATOM 458 C CG . TYR A 0 60 . -2.539 -3.806 -11.145 1.00 94.86 60 A 1 ATOM 459 C CD1 . TYR A 0 60 . -3.327 -2.667 -11.418 1.00 94.86 60 A 1 ATOM 460 C CD2 . TYR A 0 60 . -1.952 -4.519 -12.210 1.00 94.86 60 A 1 ATOM 461 C CE1 . TYR A 0 60 . -3.506 -2.230 -12.742 1.00 94.86 60 A 1 ATOM 462 C CE2 . TYR A 0 60 . -2.144 -4.094 -13.538 1.00 94.86 60 A 1 ATOM 463 O OH . TYR A 0 60 . -3.099 -2.515 -15.078 1.00 94.86 60 A 1 ATOM 464 C CZ . TYR A 0 60 . -2.920 -2.944 -13.803 1.00 94.86 60 A 1 ATOM 465 N N . LEU A 0 61 . -1.084 -4.277 -6.783 1.00 96.35 61 A 1 ATOM 466 C CA . LEU A 0 61 . -0.927 -4.809 -5.430 1.00 96.35 61 A 1 ATOM 467 C C . LEU A 0 61 . -1.332 -3.773 -4.373 1.00 96.35 61 A 1 ATOM 468 C CB . LEU A 0 61 . 0.526 -5.272 -5.238 1.00 96.35 61 A 1 ATOM 469 O O . LEU A 0 61 . -2.070 -4.101 -3.449 1.00 96.35 61 A 1 ATOM 470 C CG . LEU A 0 61 . 0.800 -5.899 -3.858 1.00 96.35 61 A 1 ATOM 471 C CD1 . LEU A 0 61 . 0.030 -7.205 -3.659 1.00 96.35 61 A 1 ATOM 472 C CD2 . LEU A 0 61 . 2.294 -6.188 -3.720 1.00 96.35 61 A 1 ATOM 473 N N . CYS A 0 62 . -0.901 -2.520 -4.528 1.00 97.08 62 A 1 ATOM 474 C CA . CYS A 0 62 . -1.240 -1.438 -3.609 1.00 97.08 62 A 1 ATOM 475 C C . CYS A 0 62 . -2.727 -1.055 -3.666 1.00 97.08 62 A 1 ATOM 476 C CB . CYS A 0 62 . -0.322 -0.246 -3.898 1.00 97.08 62 A 1 ATOM 477 O O . CYS A 0 62 . -3.310 -0.769 -2.623 1.00 97.08 62 A 1 ATOM 478 S SG . CYS A 0 62 . 1.380 -0.694 -3.449 1.00 97.08 62 A 1 ATOM 479 N N . GLN A 0 63 . -3.373 -1.109 -4.838 1.00 96.51 63 A 1 ATOM 480 C CA . GLN A 0 63 . -4.828 -0.927 -4.954 1.00 96.51 63 A 1 ATOM 481 C C . GLN A 0 63 . -5.598 -2.041 -4.226 1.00 96.51 63 A 1 ATOM 482 C CB . GLN A 0 63 . -5.247 -0.852 -6.433 1.00 96.51 63 A 1 ATOM 483 O O . GLN A 0 63 . -6.510 -1.747 -3.452 1.00 96.51 63 A 1 ATOM 484 C CG . GLN A 0 63 . -4.862 0.483 -7.089 1.00 96.51 63 A 1 ATOM 485 C CD . GLN A 0 63 . -5.236 0.531 -8.571 1.00 96.51 63 A 1 ATOM 486 N NE2 . GLN A 0 63 . -4.303 0.787 -9.450 1.00 96.51 63 A 1 ATOM 487 O OE1 . GLN A 0 63 . -6.372 0.387 -8.978 1.00 96.51 63 A 1 ATOM 488 N N . CYS A 0 64 . -5.191 -3.304 -4.394 1.00 96.45 64 A 1 ATOM 489 C CA . CYS A 0 64 . -5.768 -4.433 -3.658 1.00 96.45 64 A 1 ATOM 490 C C . CYS A 0 64 . -5.537 -4.306 -2.147 1.00 96.45 64 A 1 ATOM 491 C CB . CYS A 0 64 . -5.160 -5.744 -4.174 1.00 96.45 64 A 1 ATOM 492 O O . CYS A 0 64 . -6.461 -4.495 -1.361 1.00 96.45 64 A 1 ATOM 493 S SG . CYS A 0 64 . -5.723 -6.073 -5.867 1.00 96.45 64 A 1 ATOM 494 N N . LEU A 0 65 . -4.323 -3.943 -1.730 1.00 96.16 65 A 1 ATOM 495 C CA . LEU A 0 65 . -3.994 -3.726 -0.323 1.00 96.16 65 A 1 ATOM 496 C C . LEU A 0 65 . -4.835 -2.592 0.279 1.00 96.16 65 A 1 ATOM 497 C CB . LEU A 0 65 . -2.485 -3.452 -0.213 1.00 96.16 65 A 1 ATOM 498 O O . LEU A 0 65 . -5.347 -2.727 1.387 1.00 96.16 65 A 1 ATOM 499 C CG . LEU A 0 65 . -1.986 -3.268 1.229 1.00 96.16 65 A 1 ATOM 500 C CD1 . LEU A 0 65 . -2.208 -4.513 2.089 1.00 96.16 65 A 1 ATOM 501 C CD2 . LEU A 0 65 . -0.495 -2.938 1.218 1.00 96.16 65 A 1 ATOM 502 N N . CYS A 0 66 . -5.040 -1.503 -0.464 1.00 96.52 66 A 1 ATOM 503 C CA . CYS A 0 66 . -5.911 -0.408 -0.053 1.00 96.52 66 A 1 ATOM 504 C C . CYS A 0 66 . -7.354 -0.874 0.169 1.00 96.52 66 A 1 ATOM 505 C CB . CYS A 0 66 . -5.813 0.710 -1.101 1.00 96.52 66 A 1 ATOM 506 O O . CYS A 0 66 . -7.951 -0.522 1.189 1.00 96.52 66 A 1 ATOM 507 S SG . CYS A 0 66 . -6.662 2.199 -0.506 1.00 96.52 66 A 1 ATOM 508 N N . ALA A 0 67 . -7.886 -1.716 -0.721 1.00 96.16 67 A 1 ATOM 509 C CA . ALA A 0 67 . -9.194 -2.340 -0.544 1.00 96.16 67 A 1 ATOM 510 C C . ALA A 0 67 . -9.250 -3.186 0.738 1.00 96.16 67 A 1 ATOM 511 C CB . ALA A 0 67 . -9.532 -3.156 -1.798 1.00 96.16 67 A 1 ATOM 512 O O . ALA A 0 67 . -10.142 -2.987 1.558 1.00 96.16 67 A 1 ATOM 513 N N . LEU A 0 68 . -8.268 -4.066 0.953 1.00 95.15 68 A 1 ATOM 514 C CA . LEU A 0 68 . -8.218 -4.946 2.127 1.00 95.15 68 A 1 ATOM 515 C C . LEU A 0 68 . -8.137 -4.185 3.457 1.00 95.15 68 A 1 ATOM 516 C CB . LEU A 0 68 . -7.011 -5.892 1.997 1.00 95.15 68 A 1 ATOM 517 O O . LEU A 0 68 . -8.701 -4.637 4.447 1.00 95.15 68 A 1 ATOM 518 C CG . LEU A 0 68 . -7.133 -6.945 0.883 1.00 95.15 68 A 1 ATOM 519 C CD1 . LEU A 0 68 . -5.807 -7.696 0.754 1.00 95.15 68 A 1 ATOM 520 C CD2 . LEU A 0 68 . -8.241 -7.962 1.164 1.00 95.15 68 A 1 ATOM 521 N N . ILE A 0 69 . -7.445 -3.044 3.487 1.00 94.86 69 A 1 ATOM 522 C CA . ILE A 0 69 . -7.288 -2.233 4.703 1.00 94.86 69 A 1 ATOM 523 C C . ILE A 0 69 . -8.552 -1.421 5.016 1.00 94.86 69 A 1 ATOM 524 C CB . ILE A 0 69 . -6.042 -1.328 4.560 1.00 94.86 69 A 1 ATOM 525 O O . ILE A 0 69 . -8.874 -1.218 6.184 1.00 94.86 69 A 1 ATOM 526 C CG1 . ILE A 0 69 . -4.751 -2.180 4.563 1.00 94.86 69 A 1 ATOM 527 C CG2 . ILE A 0 69 . -5.967 -0.290 5.693 1.00 94.86 69 A 1 ATOM 528 C CD1 . ILE A 0 69 . -3.505 -1.401 4.124 1.00 94.86 69 A 1 ATOM 529 N N . ASN A 0 70 . -9.243 -0.915 3.992 1.00 95.96 70 A 1 ATOM 530 C CA . ASN A 0 70 . -10.279 0.105 4.172 1.00 95.96 70 A 1 ATOM 531 C C . ASN A 0 70 . -11.710 -0.418 4.038 1.00 95.96 70 A 1 ATOM 532 C CB . ASN A 0 70 . -10.023 1.257 3.190 1.00 95.96 70 A 1 ATOM 533 O O . ASN A 0 70 . -12.633 0.271 4.471 1.00 95.96 70 A 1 ATOM 534 C CG . ASN A 0 70 . -8.766 2.020 3.539 1.00 95.96 70 A 1 ATOM 535 N ND2 . ASN A 0 70 . -7.665 1.752 2.882 1.00 95.96 70 A 1 ATOM 536 O OD1 . ASN A 0 70 . -8.763 2.865 4.410 1.00 95.96 70 A 1 ATOM 537 N N . LEU A 0 71 . -11.926 -1.582 3.419 1.00 95.70 71 A 1 ATOM 538 C CA . LEU A 0 71 . -13.266 -2.141 3.258 1.00 95.70 71 A 1 ATOM 539 C C . LEU A 0 71 . -13.811 -2.678 4.581 1.00 95.70 71 A 1 ATOM 540 C CB . LEU A 0 71 . -13.285 -3.237 2.181 1.00 95.70 71 A 1 ATOM 541 O O . LEU A 0 71 . -13.125 -3.365 5.339 1.00 95.70 71 A 1 ATOM 542 C CG . LEU A 0 71 . -13.240 -2.700 0.740 1.00 95.70 71 A 1 ATOM 543 C CD1 . LEU A 0 71 . -13.004 -3.856 -0.231 1.00 95.70 71 A 1 ATOM 544 C CD2 . LEU A 0 71 . -14.558 -2.033 0.335 1.00 95.70 71 A 1 ATOM 545 N N . ARG A 0 72 . -15.095 -2.412 4.816 1.00 93.66 72 A 1 ATOM 546 C CA . ARG A 0 72 . -15.844 -3.010 5.918 1.00 93.66 72 A 1 ATOM 547 C C . ARG A 0 72 . -15.968 -4.532 5.723 1.00 93.66 72 A 1 ATOM 548 C CB . ARG A 0 72 . -17.214 -2.329 6.008 1.00 93.66 72 A 1 ATOM 549 O O . ARG A 0 72 . -16.301 -4.970 4.620 1.00 93.66 72 A 1 ATOM 550 C CG . ARG A 0 72 . -18.043 -2.882 7.172 1.00 93.66 72 A 1 ATOM 551 C CD . ARG A 0 72 . -19.326 -2.076 7.342 1.00 93.66 72 A 1 ATOM 552 N NE . ARG A 0 72 . -20.133 -2.622 8.444 1.00 93.66 72 A 1 ATOM 553 N NH1 . ARG A 0 72 . -22.006 -1.342 8.084 1.00 93.66 72 A 1 ATOM 554 N NH2 . ARG A 0 72 . -21.947 -2.774 9.801 1.00 93.66 72 A 1 ATOM 555 C CZ . ARG A 0 72 . -21.354 -2.244 8.767 1.00 93.66 72 A 1 ATOM 556 N N . PRO A 0 73 . -15.802 -5.352 6.778 1.00 88.75 73 A 1 ATOM 557 C CA . PRO A 0 73 . -16.108 -6.780 6.713 1.00 88.75 73 A 1 ATOM 558 C C . PRO A 0 73 . -17.581 -7.033 6.353 1.00 88.75 73 A 1 ATOM 559 C CB . PRO A 0 73 . -15.752 -7.343 8.094 1.00 88.75 73 A 1 ATOM 560 O O . PRO A 0 73 . -18.482 -6.461 6.967 1.00 88.75 73 A 1 ATOM 561 C CG . PRO A 0 73 . -14.726 -6.347 8.634 1.00 88.75 73 A 1 ATOM 562 C CD . PRO A 0 73 . -15.200 -5.017 8.058 1.00 88.75 73 A 1 ATOM 563 N N . ALA A 0 74 . -17.829 -7.911 5.376 1.00 76.35 74 A 1 ATOM 564 C CA . ALA A 0 74 . -19.184 -8.251 4.923 1.00 76.35 74 A 1 ATOM 565 C C . ALA A 0 74 . -19.983 -9.061 5.961 1.00 76.35 74 A 1 ATOM 566 C CB . ALA A 0 74 . -19.068 -9.016 3.600 1.00 76.35 74 A 1 ATOM 567 O O . ALA A 0 74 . -21.201 -8.928 6.059 1.00 76.35 74 A 1 ATOM 568 N N . ILE A 0 75 . -19.301 -9.881 6.766 1.00 67.67 75 A 1 ATOM 569 C CA . ILE A 0 75 . -19.905 -10.505 7.944 1.00 67.67 75 A 1 ATOM 570 C C . ILE A 0 75 . -20.095 -9.391 8.961 1.00 67.67 75 A 1 ATOM 571 C CB . ILE A 0 75 . -19.025 -11.662 8.468 1.00 67.67 75 A 1 ATOM 572 O O . ILE A 0 75 . -19.117 -8.760 9.354 1.00 67.67 75 A 1 ATOM 573 C CG1 . ILE A 0 75 . -19.111 -12.834 7.462 1.00 67.67 75 A 1 ATOM 574 C CG2 . ILE A 0 75 . -19.452 -12.116 9.878 1.00 67.67 75 A 1 ATOM 575 C CD1 . ILE A 0 75 . -18.074 -13.938 7.694 1.00 67.67 75 A 1 ATOM 576 N N . GLY A 0 76 . -21.344 -9.140 9.361 1.00 54.08 76 A 1 ATOM 577 C CA . GLY A 0 76 . -21.683 -8.143 10.367 1.00 54.08 76 A 1 ATOM 578 C C . GLY A 0 76 . -20.840 -8.347 11.620 1.00 54.08 76 A 1 ATOM 579 O O . GLY A 0 76 . -21.167 -9.177 12.465 1.00 54.08 76 A 1 ATOM 580 N N . SER A 0 77 . -19.741 -7.600 11.734 1.00 49.87 77 A 1 ATOM 581 C CA . SER A 0 77 . -18.928 -7.561 12.941 1.00 49.87 77 A 1 ATOM 582 C C . SER A 0 77 . -19.715 -6.817 14.006 1.00 49.87 77 A 1 ATOM 583 C CB . SER A 0 77 . -17.545 -6.943 12.697 1.00 49.87 77 A 1 ATOM 584 O O . SER A 0 77 . -19.477 -5.649 14.285 1.00 49.87 77 A 1 ATOM 585 O OG . SER A 0 77 . -16.655 -7.939 12.231 1.00 49.87 77 A 1 ATOM 586 N N . ASN A 0 78 . -20.627 -7.545 14.642 1.00 43.91 78 A 1 ATOM 587 C CA . ASN A 0 78 . -21.047 -7.320 16.015 1.00 43.91 78 A 1 ATOM 588 C C . ASN A 0 78 . -19.946 -7.861 16.956 1.00 43.91 78 A 1 ATOM 589 C CB . ASN A 0 78 . -22.449 -7.943 16.199 1.00 43.91 78 A 1 ATOM 590 O O . ASN A 0 78 . -20.185 -8.684 17.835 1.00 43.91 78 A 1 ATOM 591 C CG . ASN A 0 78 . -23.338 -7.144 17.133 1.00 43.91 78 A 1 ATOM 592 N ND2 . ASN A 0 78 . -24.546 -7.598 17.366 1.00 43.91 78 A 1 ATOM 593 O OD1 . ASN A 0 78 . -22.993 -6.084 17.619 1.00 43.91 78 A 1 ATOM 594 N N . LYS A 0 79 . -18.692 -7.462 16.701 1.00 47.94 79 A 1 ATOM 595 C CA . LYS A 0 79 . -17.512 -7.809 17.501 1.00 47.94 79 A 1 ATOM 596 C C . LYS A 0 79 . -16.974 -6.548 18.173 1.00 47.94 79 A 1 ATOM 597 C CB . LYS A 0 79 . -16.438 -8.557 16.680 1.00 47.94 79 A 1 ATOM 598 O O . LYS A 0 79 . -15.898 -6.087 17.816 1.00 47.94 79 A 1 ATOM 599 C CG . LYS A 0 79 . -16.784 -10.030 16.402 1.00 47.94 79 A 1 ATOM 600 C CD . LYS A 0 79 . -15.499 -10.862 16.246 1.00 47.94 79 A 1 ATOM 601 C CE . LYS A 0 79 . -15.825 -12.339 16.000 1.00 47.94 79 A 1 ATOM 602 N NZ . LYS A 0 79 . -14.601 -13.179 16.042 1.00 47.94 79 A 1 ATOM 603 N N . ALA A 0 80 . -17.782 -5.989 19.074 1.00 47.47 80 A 1 ATOM 604 C CA . ALA A 0 80 . -17.393 -5.277 20.302 1.00 47.47 80 A 1 ATOM 605 C C . ALA A 0 80 . -18.611 -4.536 20.897 1.00 47.47 80 A 1 ATOM 606 C CB . ALA A 0 80 . -16.191 -4.337 20.104 1.00 47.47 80 A 1 ATOM 607 O O . ALA A 0 80 . -18.602 -3.322 21.065 1.00 47.47 80 A 1 ATOM 608 N N . ASP A 0 81 . -19.674 -5.278 21.209 1.00 42.19 81 A 1 ATOM 609 C CA . ASP A 0 81 . -20.411 -5.037 22.452 1.00 42.19 81 A 1 ATOM 610 C C . ASP A 0 81 . -19.559 -5.667 23.581 1.00 42.19 81 A 1 ATOM 611 C CB . ASP A 0 81 . -21.822 -5.660 22.322 1.00 42.19 81 A 1 ATOM 612 O O . ASP A 0 81 . -19.031 -6.766 23.391 1.00 42.19 81 A 1 ATOM 613 C CG . ASP A 0 81 . -22.682 -5.555 23.589 1.00 42.19 81 A 1 ATOM 614 O OD1 . ASP A 0 81 . -22.521 -4.551 24.315 1.00 42.19 81 A 1 ATOM 615 O OD2 . ASP A 0 81 . -23.434 -6.519 23.877 1.00 42.19 81 A 1 ATOM 616 N N . LYS A 0 82 . -19.443 -4.997 24.737 1.00 35.75 82 A 1 ATOM 617 C CA . LYS A 0 82 . -18.852 -5.464 26.020 1.00 35.75 82 A 1 ATOM 618 C C . LYS A 0 82 . -17.326 -5.371 26.242 1.00 35.75 82 A 1 ATOM 619 C CB . LYS A 0 82 . -19.400 -6.852 26.423 1.00 35.75 82 A 1 ATOM 620 O O . LYS A 0 82 . -16.626 -6.385 26.274 1.00 35.75 82 A 1 ATOM 621 C CG . LYS A 0 82 . -20.920 -6.945 26.274 1.00 35.75 82 A 1 ATOM 622 C CD . LYS A 0 82 . -21.505 -8.224 26.860 1.00 35.75 82 A 1 ATOM 623 C CE . LYS A 0 82 . -22.999 -8.180 26.535 1.00 35.75 82 A 1 ATOM 624 N NZ . LYS A 0 82 . -23.727 -9.330 27.113 1.00 35.75 82 A 1 ATOM 625 N N . LYS A 0 83 . -16.851 -4.174 26.608 1.00 36.51 83 A 1 ATOM 626 C CA . LYS A 0 83 . -16.323 -3.891 27.963 1.00 36.51 83 A 1 ATOM 627 C C . LYS A 0 83 . -16.328 -2.397 28.261 1.00 36.51 83 A 1 ATOM 628 C CB . LYS A 0 83 . -14.916 -4.465 28.211 1.00 36.51 83 A 1 ATOM 629 O O . LYS A 0 83 . -15.993 -1.628 27.339 1.00 36.51 83 A 1 ATOM 630 C CG . LYS A 0 83 . -14.995 -5.646 29.188 1.00 36.51 83 A 1 ATOM 631 C CD . LYS A 0 83 . -13.609 -6.038 29.703 1.00 36.51 83 A 1 ATOM 632 C CE . LYS A 0 83 . -13.749 -7.256 30.620 1.00 36.51 83 A 1 ATOM 633 N NZ . LYS A 0 83 . -12.526 -7.470 31.430 1.00 36.51 83 A 1 ATOM 634 O OXT . LYS A 0 83 . -16.668 -2.104 29.423 1.00 36.51 83 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 88.52 # loop_ _atom_type.symbol C N O S #