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 THR 0 3 CYS 0 4 ARG 0 5 TYR 0 6 PRO 0 7 CYS 0 8 ARG 0 9 HIS 0 10 ILE 0 11 LEU 0 12 LEU 0 13 THR 0 14 TYR 0 15 VAL 0 16 LYS 0 17 ARG 0 18 PRO 0 19 THR 0 20 LEU 0 21 THR 0 22 ALA 0 23 HIS 0 24 HIS 0 25 ILE 0 26 LEU 0 27 ARG 0 28 PRO 0 29 CYS 0 30 SER 0 31 ARG 0 32 TRP 0 33 LYS 0 34 LEU 0 35 ASN 0 36 ASN 0 37 THR 0 38 HIS 0 39 ASN 0 40 PHE 0 41 HIS 0 42 TYR 0 43 ASN 0 44 THR 0 45 THR 0 46 THR 0 47 LEU 0 48 PRO 0 49 ARG 0 50 ARG 0 51 SER 0 52 GLU 0 53 GLU 0 54 TYR 0 55 ILE 0 56 ARG 0 57 ILE 0 58 GLN 0 59 ARG 0 60 SER 0 61 GLN 0 62 LYS 0 63 ILE 0 64 HIS 0 65 LYS 0 66 GLN 0 67 GLN 0 68 ILE 0 69 VAL 0 70 GLU 0 71 LYS 0 72 TYR 0 73 GLY 0 74 GLU 0 75 HIS 0 76 PHE 0 77 ALA 0 78 MET 0 79 VAL 0 80 VAL 0 81 GLU 0 82 LYS 0 83 LYS 0 84 VAL 0 85 ASP 0 86 ASN 0 87 TYR 0 88 HIS 0 89 LEU 0 90 LYS 0 91 ILE 0 92 ASN 0 93 ASN # 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 . 9.691 28.123 6.839 1.00 36.36 1 A 1 ATOM 2 C CA . MET A 0 1 . 9.269 26.852 7.475 1.00 36.36 1 A 1 ATOM 3 C C . MET A 0 1 . 9.036 25.818 6.386 1.00 36.36 1 A 1 ATOM 4 C CB . MET A 0 1 . 7.983 27.043 8.291 1.00 36.36 1 A 1 ATOM 5 O O . MET A 0 1 . 8.180 26.035 5.543 1.00 36.36 1 A 1 ATOM 6 C CG . MET A 0 1 . 8.171 28.056 9.421 1.00 36.36 1 A 1 ATOM 7 S SD . MET A 0 1 . 6.749 28.128 10.526 1.00 36.36 1 A 1 ATOM 8 C CE . MET A 0 1 . 7.275 29.474 11.625 1.00 36.36 1 A 1 ATOM 9 N N . THR A 0 2 . 9.829 24.748 6.318 1.00 40.60 2 A 1 ATOM 10 C CA . THR A 0 2 . 9.711 23.773 5.219 1.00 40.60 2 A 1 ATOM 11 C C . THR A 0 2 . 9.151 22.471 5.762 1.00 40.60 2 A 1 ATOM 12 C CB . THR A 0 2 . 11.015 23.605 4.431 1.00 40.60 2 A 1 ATOM 13 O O . THR A 0 2 . 9.809 21.786 6.539 1.00 40.60 2 A 1 ATOM 14 C CG2 . THR A 0 2 . 11.468 24.945 3.834 1.00 40.60 2 A 1 ATOM 15 O OG1 . THR A 0 2 . 12.108 23.087 5.164 1.00 40.60 2 A 1 ATOM 16 N N . CYS A 0 3 . 7.892 22.172 5.442 1.00 41.65 3 A 1 ATOM 17 C CA . CYS A 0 3 . 7.245 20.974 5.958 1.00 41.65 3 A 1 ATOM 18 C C . CYS A 0 3 . 7.692 19.759 5.130 1.00 41.65 3 A 1 ATOM 19 C CB . CYS A 0 3 . 5.728 21.181 6.001 1.00 41.65 3 A 1 ATOM 20 O O . CYS A 0 3 . 7.487 19.727 3.920 1.00 41.65 3 A 1 ATOM 21 S SG . CYS A 0 3 . 5.096 20.255 7.430 1.00 41.65 3 A 1 ATOM 22 N N . ARG A 0 4 . 8.365 18.798 5.779 1.00 47.01 4 A 1 ATOM 23 C CA . ARG A 0 4 . 8.962 17.594 5.160 1.00 47.01 4 A 1 ATOM 24 C C . ARG A 0 4 . 7.983 16.440 4.930 1.00 47.01 4 A 1 ATOM 25 C CB . ARG A 0 4 . 10.158 17.109 6.005 1.00 47.01 4 A 1 ATOM 26 O O . ARG A 0 4 . 8.355 15.459 4.305 1.00 47.01 4 A 1 ATOM 27 C CG . ARG A 0 4 . 11.477 17.772 5.590 1.00 47.01 4 A 1 ATOM 28 C CD . ARG A 0 4 . 12.626 17.238 6.459 1.00 47.01 4 A 1 ATOM 29 N NE . ARG A 0 4 . 13.941 17.766 6.035 1.00 47.01 4 A 1 ATOM 30 N NH1 . ARG A 0 4 . 14.390 19.135 7.837 1.00 47.01 4 A 1 ATOM 31 N NH2 . ARG A 0 4 . 15.903 18.908 6.220 1.00 47.01 4 A 1 ATOM 32 C CZ . ARG A 0 4 . 14.730 18.598 6.698 1.00 47.01 4 A 1 ATOM 33 N N . TYR A 0 5 . 6.756 16.554 5.408 1.00 43.88 5 A 1 ATOM 34 C CA . TYR A 0 5 . 5.686 15.592 5.157 1.00 43.88 5 A 1 ATOM 35 C C . TYR A 0 5 . 4.538 16.312 4.459 1.00 43.88 5 A 1 ATOM 36 C CB . TYR A 0 5 . 5.275 14.935 6.483 1.00 43.88 5 A 1 ATOM 37 O O . TYR A 0 5 . 4.476 17.541 4.593 1.00 43.88 5 A 1 ATOM 38 C CG . TYR A 0 5 . 5.994 13.619 6.691 1.00 43.88 5 A 1 ATOM 39 C CD1 . TYR A 0 5 . 5.321 12.415 6.410 1.00 43.88 5 A 1 ATOM 40 C CD2 . TYR A 0 5 . 7.349 13.594 7.083 1.00 43.88 5 A 1 ATOM 41 C CE1 . TYR A 0 5 . 6.004 11.190 6.496 1.00 43.88 5 A 1 ATOM 42 C CE2 . TYR A 0 5 . 8.032 12.365 7.181 1.00 43.88 5 A 1 ATOM 43 O OH . TYR A 0 5 . 7.999 9.968 6.954 1.00 43.88 5 A 1 ATOM 44 C CZ . TYR A 0 5 . 7.359 11.161 6.878 1.00 43.88 5 A 1 ATOM 45 N N . PRO A 0 6 . 3.638 15.612 3.731 1.00 50.44 6 A 1 ATOM 46 C CA . PRO A 0 6 . 2.364 16.199 3.348 1.00 50.44 6 A 1 ATOM 47 C C . PRO A 0 6 . 1.734 16.715 4.633 1.00 50.44 6 A 1 ATOM 48 C CB . PRO A 0 6 . 1.548 15.091 2.674 1.00 50.44 6 A 1 ATOM 49 O O . PRO A 0 6 . 1.322 15.959 5.510 1.00 50.44 6 A 1 ATOM 50 C CG . PRO A 0 6 . 2.149 13.812 3.249 1.00 50.44 6 A 1 ATOM 51 C CD . PRO A 0 6 . 3.619 14.183 3.455 1.00 50.44 6 A 1 ATOM 52 N N . CYS A 0 7 . 1.855 18.021 4.821 1.00 51.37 7 A 1 ATOM 53 C CA . CYS A 0 7 . 1.685 18.616 6.122 1.00 51.37 7 A 1 ATOM 54 C C . CYS A 0 7 . 0.228 18.432 6.524 1.00 51.37 7 A 1 ATOM 55 C CB . CYS A 0 7 . 2.201 20.056 6.037 1.00 51.37 7 A 1 ATOM 56 O O . CYS A 0 7 . -0.636 18.256 5.666 1.00 51.37 7 A 1 ATOM 57 S SG . CYS A 0 7 . 1.389 21.021 4.745 1.00 51.37 7 A 1 ATOM 58 N N . ARG A 0 8 . -0.079 18.504 7.817 1.00 54.56 8 A 1 ATOM 59 C CA . ARG A 0 8 . -1.465 18.497 8.307 1.00 54.56 8 A 1 ATOM 60 C C . ARG A 0 8 . -2.386 19.429 7.491 1.00 54.56 8 A 1 ATOM 61 C CB . ARG A 0 8 . -1.403 18.851 9.798 1.00 54.56 8 A 1 ATOM 62 O O . ARG A 0 8 . -3.570 19.143 7.359 1.00 54.56 8 A 1 ATOM 63 C CG . ARG A 0 8 . -2.759 18.793 10.506 1.00 54.56 8 A 1 ATOM 64 C CD . ARG A 0 8 . -2.550 18.994 12.013 1.00 54.56 8 A 1 ATOM 65 N NE . ARG A 0 8 . -3.836 19.109 12.726 1.00 54.56 8 A 1 ATOM 66 N NH1 . ARG A 0 8 . -3.951 21.407 12.883 1.00 54.56 8 A 1 ATOM 67 N NH2 . ARG A 0 8 . -5.566 20.152 13.767 1.00 54.56 8 A 1 ATOM 68 C CZ . ARG A 0 8 . -4.439 20.219 13.118 1.00 54.56 8 A 1 ATOM 69 N N . HIS A 0 9 . -1.842 20.482 6.869 1.00 56.12 9 A 1 ATOM 70 C CA . HIS A 0 9 . -2.547 21.341 5.917 1.00 56.12 9 A 1 ATOM 71 C C . HIS A 0 9 . -3.037 20.626 4.652 1.00 56.12 9 A 1 ATOM 72 C CB . HIS A 0 9 . -1.684 22.540 5.508 1.00 56.12 9 A 1 ATOM 73 O O . HIS A 0 9 . -4.148 20.909 4.236 1.00 56.12 9 A 1 ATOM 74 C CG . HIS A 0 9 . -1.036 23.242 6.669 1.00 56.12 9 A 1 ATOM 75 C CD2 . HIS A 0 9 . -1.636 24.169 7.473 1.00 56.12 9 A 1 ATOM 76 N ND1 . HIS A 0 9 . 0.249 23.064 7.132 1.00 56.12 9 A 1 ATOM 77 C CE1 . HIS A 0 9 . 0.418 23.873 8.193 1.00 56.12 9 A 1 ATOM 78 N NE2 . HIS A 0 9 . -0.711 24.547 8.446 1.00 56.12 9 A 1 ATOM 79 N N . ILE A 0 10 . -2.288 19.699 4.047 1.00 57.96 10 A 1 ATOM 80 C CA . ILE A 0 10 . -2.739 18.940 2.864 1.00 57.96 10 A 1 ATOM 81 C C . ILE A 0 10 . -3.972 18.109 3.216 1.00 57.96 10 A 1 ATOM 82 C CB . ILE A 0 10 . -1.591 18.066 2.300 1.00 57.96 10 A 1 ATOM 83 O O . ILE A 0 10 . -4.979 18.178 2.512 1.00 57.96 10 A 1 ATOM 84 C CG1 . ILE A 0 10 . -0.477 19.007 1.782 1.00 57.96 10 A 1 ATOM 85 C CG2 . ILE A 0 10 . -2.089 17.041 1.257 1.00 57.96 10 A 1 ATOM 86 C CD1 . ILE A 0 10 . 0.618 18.345 0.943 1.00 57.96 10 A 1 ATOM 87 N N . LEU A 0 11 . -3.923 17.406 4.353 1.00 58.60 11 A 1 ATOM 88 C CA . LEU A 0 11 . -5.057 16.636 4.857 1.00 58.60 11 A 1 ATOM 89 C C . LEU A 0 11 . -6.264 17.544 5.143 1.00 58.60 11 A 1 ATOM 90 C CB . LEU A 0 11 . -4.607 15.850 6.103 1.00 58.60 11 A 1 ATOM 91 O O . LEU A 0 11 . -7.365 17.269 4.678 1.00 58.60 11 A 1 ATOM 92 C CG . LEU A 0 11 . -5.648 14.826 6.595 1.00 58.60 11 A 1 ATOM 93 C CD1 . LEU A 0 11 . -5.816 13.668 5.609 1.00 58.60 11 A 1 ATOM 94 C CD2 . LEU A 0 11 . -5.201 14.254 7.939 1.00 58.60 11 A 1 ATOM 95 N N . LEU A 0 12 . -6.054 18.669 5.838 1.00 57.12 12 A 1 ATOM 96 C CA . LEU A 0 12 . -7.113 19.645 6.123 1.00 57.12 12 A 1 ATOM 97 C C . LEU A 0 12 . -7.700 20.280 4.853 1.00 57.12 12 A 1 ATOM 98 C CB . LEU A 0 12 . -6.559 20.747 7.046 1.00 57.12 12 A 1 ATOM 99 O O . LEU A 0 12 . -8.903 20.520 4.795 1.00 57.12 12 A 1 ATOM 100 C CG . LEU A 0 12 . -6.397 20.328 8.518 1.00 57.12 12 A 1 ATOM 101 C CD1 . LEU A 0 12 . -5.559 21.373 9.258 1.00 57.12 12 A 1 ATOM 102 C CD2 . LEU A 0 12 . -7.749 20.223 9.226 1.00 57.12 12 A 1 ATOM 103 N N . THR A 0 13 . -6.878 20.555 3.840 1.00 58.99 13 A 1 ATOM 104 C CA . THR A 0 13 . -7.333 21.155 2.576 1.00 58.99 13 A 1 ATOM 105 C C . THR A 0 13 . -8.195 20.171 1.793 1.00 58.99 13 A 1 ATOM 106 C CB . THR A 0 13 . -6.168 21.639 1.694 1.00 58.99 13 A 1 ATOM 107 O O . THR A 0 13 . -9.241 20.565 1.287 1.00 58.99 13 A 1 ATOM 108 C CG2 . THR A 0 13 . -6.648 22.598 0.611 1.00 58.99 13 A 1 ATOM 109 O OG1 . THR A 0 13 . -5.237 22.394 2.427 1.00 58.99 13 A 1 ATOM 110 N N . TYR A 0 14 . -7.803 18.892 1.758 1.00 56.99 14 A 1 ATOM 111 C CA . TYR A 0 14 . -8.589 17.829 1.131 1.00 56.99 14 A 1 ATOM 112 C C . TYR A 0 14 . -9.949 17.639 1.822 1.00 56.99 14 A 1 ATOM 113 C CB . TYR A 0 14 . -7.766 16.535 1.143 1.00 56.99 14 A 1 ATOM 114 O O . TYR A 0 14 . -10.973 17.574 1.150 1.00 56.99 14 A 1 ATOM 115 C CG . TYR A 0 14 . -8.425 15.395 0.395 1.00 56.99 14 A 1 ATOM 116 C CD1 . TYR A 0 14 . -9.114 14.385 1.096 1.00 56.99 14 A 1 ATOM 117 C CD2 . TYR A 0 14 . -8.381 15.371 -1.013 1.00 56.99 14 A 1 ATOM 118 C CE1 . TYR A 0 14 . -9.753 13.347 0.391 1.00 56.99 14 A 1 ATOM 119 C CE2 . TYR A 0 14 . -9.012 14.330 -1.719 1.00 56.99 14 A 1 ATOM 120 O OH . TYR A 0 14 . -10.311 12.320 -1.709 1.00 56.99 14 A 1 ATOM 121 C CZ . TYR A 0 14 . -9.700 13.318 -1.020 1.00 56.99 14 A 1 ATOM 122 N N . VAL A 0 15 . -9.981 17.646 3.162 1.00 62.76 15 A 1 ATOM 123 C CA . VAL A 0 15 . -11.236 17.555 3.933 1.00 62.76 15 A 1 ATOM 124 C C . VAL A 0 15 . -12.146 18.765 3.689 1.00 62.76 15 A 1 ATOM 125 C CB . VAL A 0 15 . -10.941 17.377 5.438 1.00 62.76 15 A 1 ATOM 126 O O . VAL A 0 15 . -13.350 18.602 3.526 1.00 62.76 15 A 1 ATOM 127 C CG1 . VAL A 0 15 . -12.204 17.434 6.307 1.00 62.76 15 A 1 ATOM 128 C CG2 . VAL A 0 15 . -10.276 16.020 5.711 1.00 62.76 15 A 1 ATOM 129 N N . LYS A 0 16 . -11.595 19.987 3.638 1.00 62.88 16 A 1 ATOM 130 C CA . LYS A 0 16 . -12.387 21.213 3.422 1.00 62.88 16 A 1 ATOM 131 C C . LYS A 0 16 . -12.848 21.413 1.976 1.00 62.88 16 A 1 ATOM 132 C CB . LYS A 0 16 . -11.603 22.446 3.897 1.00 62.88 16 A 1 ATOM 133 O O . LYS A 0 16 . -13.785 22.172 1.747 1.00 62.88 16 A 1 ATOM 134 C CG . LYS A 0 16 . -11.581 22.565 5.427 1.00 62.88 16 A 1 ATOM 135 C CD . LYS A 0 16 . -10.958 23.902 5.852 1.00 62.88 16 A 1 ATOM 136 C CE . LYS A 0 16 . -11.037 24.055 7.376 1.00 62.88 16 A 1 ATOM 137 N NZ . LYS A 0 16 . -10.662 25.424 7.817 1.00 62.88 16 A 1 ATOM 138 N N . ARG A 0 17 . -12.168 20.814 0.997 1.00 61.49 17 A 1 ATOM 139 C CA . ARG A 0 17 . -12.451 20.985 -0.435 1.00 61.49 17 A 1 ATOM 140 C C . ARG A 0 17 . -12.290 19.646 -1.160 1.00 61.49 17 A 1 ATOM 141 C CB . ARG A 0 17 . -11.535 22.064 -1.027 1.00 61.49 17 A 1 ATOM 142 O O . ARG A 0 17 . -11.255 19.422 -1.783 1.00 61.49 17 A 1 ATOM 143 C CG . ARG A 0 17 . -11.845 23.477 -0.517 1.00 61.49 17 A 1 ATOM 144 C CD . ARG A 0 17 . -11.015 24.504 -1.291 1.00 61.49 17 A 1 ATOM 145 N NE . ARG A 0 17 . -11.301 25.883 -0.854 1.00 61.49 17 A 1 ATOM 146 N NH1 . ARG A 0 17 . -9.986 26.961 -2.401 1.00 61.49 17 A 1 ATOM 147 N NH2 . ARG A 0 17 . -11.098 28.153 -0.880 1.00 61.49 17 A 1 ATOM 148 C CZ . ARG A 0 17 . -10.795 26.987 -1.377 1.00 61.49 17 A 1 ATOM 149 N N . PRO A 0 18 . -13.311 18.774 -1.135 1.00 59.11 18 A 1 ATOM 150 C CA . PRO A 0 18 . -13.240 17.455 -1.767 1.00 59.11 18 A 1 ATOM 151 C C . PRO A 0 18 . -13.060 17.511 -3.295 1.00 59.11 18 A 1 ATOM 152 C CB . PRO A 0 18 . -14.534 16.742 -1.355 1.00 59.11 18 A 1 ATOM 153 O O . PRO A 0 18 . -12.602 16.545 -3.896 1.00 59.11 18 A 1 ATOM 154 C CG . PRO A 0 18 . -15.500 17.873 -1.002 1.00 59.11 18 A 1 ATOM 155 C CD . PRO A 0 18 . -14.582 18.957 -0.450 1.00 59.11 18 A 1 ATOM 156 N N . THR A 0 19 . -13.362 18.647 -3.935 1.00 68.12 19 A 1 ATOM 157 C CA . THR A 0 19 . -13.109 18.874 -5.369 1.00 68.12 19 A 1 ATOM 158 C C . THR A 0 19 . -11.630 19.108 -5.696 1.00 68.12 19 A 1 ATOM 159 C CB . THR A 0 19 . -13.927 20.067 -5.882 1.00 68.12 19 A 1 ATOM 160 O O . THR A 0 19 . -11.227 18.987 -6.855 1.00 68.12 19 A 1 ATOM 161 C CG2 . THR A 0 19 . -15.433 19.829 -5.767 1.00 68.12 19 A 1 ATOM 162 O OG1 . THR A 0 19 . -13.636 21.224 -5.125 1.00 68.12 19 A 1 ATOM 163 N N . LEU A 0 20 . -10.790 19.420 -4.699 1.00 57.29 20 A 1 ATOM 164 C CA . LEU A 0 20 . -9.346 19.524 -4.884 1.00 57.29 20 A 1 ATOM 165 C C . LEU A 0 20 . -8.738 18.124 -4.916 1.00 57.29 20 A 1 ATOM 166 C CB . LEU A 0 20 . -8.696 20.404 -3.802 1.00 57.29 20 A 1 ATOM 167 O O . LEU A 0 20 . -8.440 17.514 -3.890 1.00 57.29 20 A 1 ATOM 168 C CG . LEU A 0 20 . -8.992 21.906 -3.935 1.00 57.29 20 A 1 ATOM 169 C CD1 . LEU A 0 20 . -8.348 22.651 -2.768 1.00 57.29 20 A 1 ATOM 170 C CD2 . LEU A 0 20 . -8.398 22.516 -5.208 1.00 57.29 20 A 1 ATOM 171 N N . THR A 0 21 . -8.507 17.626 -6.127 1.00 58.53 21 A 1 ATOM 172 C CA . THR A 0 21 . -7.743 16.394 -6.329 1.00 58.53 21 A 1 ATOM 173 C C . THR A 0 21 . -6.343 16.526 -5.722 1.00 58.53 21 A 1 ATOM 174 C CB . THR A 0 21 . -7.662 16.012 -7.815 1.00 58.53 21 A 1 ATOM 175 O O . THR A 0 21 . -5.750 17.609 -5.722 1.00 58.53 21 A 1 ATOM 176 C CG2 . THR A 0 21 . -9.042 15.797 -8.432 1.00 58.53 21 A 1 ATOM 177 O OG1 . THR A 0 21 . -7.024 17.018 -8.567 1.00 58.53 21 A 1 ATOM 178 N N . ALA A 0 22 . -5.778 15.413 -5.238 1.00 56.45 22 A 1 ATOM 179 C CA . ALA A 0 22 . -4.430 15.379 -4.657 1.00 56.45 22 A 1 ATOM 180 C C . ALA A 0 22 . -3.383 16.067 -5.556 1.00 56.45 22 A 1 ATOM 181 C CB . ALA A 0 22 . -4.058 13.912 -4.405 1.00 56.45 22 A 1 ATOM 182 O O . ALA A 0 22 . -2.476 16.731 -5.063 1.00 56.45 22 A 1 ATOM 183 N N . HIS A 0 23 . -3.562 16.000 -6.877 1.00 55.48 23 A 1 ATOM 184 C CA . HIS A 0 23 . -2.727 16.684 -7.860 1.00 55.48 23 A 1 ATOM 185 C C . HIS A 0 23 . -2.659 18.211 -7.658 1.00 55.48 23 A 1 ATOM 186 C CB . HIS A 0 23 . -3.263 16.330 -9.251 1.00 55.48 23 A 1 ATOM 187 O O . HIS A 0 23 . -1.569 18.780 -7.699 1.00 55.48 23 A 1 ATOM 188 C CG . HIS A 0 23 . -2.405 16.888 -10.351 1.00 55.48 23 A 1 ATOM 189 C CD2 . HIS A 0 23 . -1.266 16.326 -10.863 1.00 55.48 23 A 1 ATOM 190 N ND1 . HIS A 0 23 . -2.605 18.081 -11.006 1.00 55.48 23 A 1 ATOM 191 C CE1 . HIS A 0 23 . -1.613 18.229 -11.899 1.00 55.48 23 A 1 ATOM 192 N NE2 . HIS A 0 23 . -0.760 17.197 -11.833 1.00 55.48 23 A 1 ATOM 193 N N . HIS A 0 24 . -3.783 18.884 -7.383 1.00 58.33 24 A 1 ATOM 194 C CA . HIS A 0 24 . -3.805 20.332 -7.130 1.00 58.33 24 A 1 ATOM 195 C C . HIS A 0 24 . -3.062 20.716 -5.851 1.00 58.33 24 A 1 ATOM 196 C CB . HIS A 0 24 . -5.252 20.829 -7.033 1.00 58.33 24 A 1 ATOM 197 O O . HIS A 0 24 . -2.432 21.768 -5.797 1.00 58.33 24 A 1 ATOM 198 C CG . HIS A 0 24 . -5.987 20.765 -8.340 1.00 58.33 24 A 1 ATOM 199 C CD2 . HIS A 0 24 . -5.768 21.556 -9.433 1.00 58.33 24 A 1 ATOM 200 N ND1 . HIS A 0 24 . -7.004 19.899 -8.662 1.00 58.33 24 A 1 ATOM 201 C CE1 . HIS A 0 24 . -7.397 20.168 -9.918 1.00 58.33 24 A 1 ATOM 202 N NE2 . HIS A 0 24 . -6.648 21.153 -10.436 1.00 58.33 24 A 1 ATOM 203 N N . ILE A 0 25 . -3.115 19.857 -4.832 1.00 56.75 25 A 1 ATOM 204 C CA . ILE A 0 25 . -2.491 20.114 -3.531 1.00 56.75 25 A 1 ATOM 205 C C . ILE A 0 25 . -0.984 19.813 -3.564 1.00 56.75 25 A 1 ATOM 206 C CB . ILE A 0 25 . -3.219 19.322 -2.420 1.00 56.75 25 A 1 ATOM 207 O O . ILE A 0 25 . -0.203 20.444 -2.855 1.00 56.75 25 A 1 ATOM 208 C CG1 . ILE A 0 25 . -4.751 19.559 -2.424 1.00 56.75 25 A 1 ATOM 209 C CG2 . ILE A 0 25 . -2.620 19.754 -1.073 1.00 56.75 25 A 1 ATOM 210 C CD1 . ILE A 0 25 . -5.533 18.624 -1.489 1.00 56.75 25 A 1 ATOM 211 N N . LEU A 0 26 . -0.559 18.870 -4.408 1.00 53.46 26 A 1 ATOM 212 C CA . LEU A 0 26 . 0.842 18.470 -4.549 1.00 53.46 26 A 1 ATOM 213 C C . LEU A 0 26 . 1.631 19.361 -5.524 1.00 53.46 26 A 1 ATOM 214 C CB . LEU A 0 26 . 0.889 16.987 -4.954 1.00 53.46 26 A 1 ATOM 215 O O . LEU A 0 26 . 2.850 19.462 -5.392 1.00 53.46 26 A 1 ATOM 216 C CG . LEU A 0 26 . 0.362 16.015 -3.875 1.00 53.46 26 A 1 ATOM 217 C CD1 . LEU A 0 26 . 0.255 14.612 -4.471 1.00 53.46 26 A 1 ATOM 218 C CD2 . LEU A 0 26 . 1.258 15.970 -2.638 1.00 53.46 26 A 1 ATOM 219 N N . ARG A 0 27 . 0.962 20.049 -6.464 1.00 53.14 27 A 1 ATOM 220 C CA . ARG A 0 27 . 1.600 20.932 -7.464 1.00 53.14 27 A 1 ATOM 221 C C . ARG A 0 27 . 2.432 22.085 -6.866 1.00 53.14 27 A 1 ATOM 222 C CB . ARG A 0 27 . 0.540 21.457 -8.453 1.00 53.14 27 A 1 ATOM 223 O O . ARG A 0 27 . 3.522 22.322 -7.381 1.00 53.14 27 A 1 ATOM 224 C CG . ARG A 0 27 . 1.056 21.507 -9.898 1.00 53.14 27 A 1 ATOM 225 C CD . ARG A 0 27 . -0.053 22.012 -10.833 1.00 53.14 27 A 1 ATOM 226 N NE . ARG A 0 27 . 0.359 21.971 -12.253 1.00 53.14 27 A 1 ATOM 227 N NH1 . ARG A 0 27 . -0.943 23.709 -13.027 1.00 53.14 27 A 1 ATOM 228 N NH2 . ARG A 0 27 . 0.357 22.598 -14.447 1.00 53.14 27 A 1 ATOM 229 C CZ . ARG A 0 27 . -0.074 22.757 -13.228 1.00 53.14 27 A 1 ATOM 230 N N . PRO A 0 28 . 1.995 22.774 -5.789 1.00 52.82 28 A 1 ATOM 231 C CA . PRO A 0 28 . 2.786 23.826 -5.145 1.00 52.82 28 A 1 ATOM 232 C C . PRO A 0 28 . 4.020 23.300 -4.399 1.00 52.82 28 A 1 ATOM 233 C CB . PRO A 0 28 . 1.837 24.537 -4.168 1.00 52.82 28 A 1 ATOM 234 O O . PRO A 0 28 . 4.909 24.077 -4.058 1.00 52.82 28 A 1 ATOM 235 C CG . PRO A 0 28 . 0.438 24.125 -4.617 1.00 52.82 28 A 1 ATOM 236 C CD . PRO A 0 28 . 0.668 22.741 -5.203 1.00 52.82 28 A 1 ATOM 237 N N . CYS A 0 29 . 4.108 21.994 -4.123 1.00 52.67 29 A 1 ATOM 238 C CA . CYS A 0 29 . 5.241 21.426 -3.403 1.00 52.67 29 A 1 ATOM 239 C C . CYS A 0 29 . 6.318 20.941 -4.382 1.00 52.67 29 A 1 ATOM 240 C CB . CYS A 0 29 . 4.755 20.369 -2.408 1.00 52.67 29 A 1 ATOM 241 O O . CYS A 0 29 . 6.532 19.744 -4.574 1.00 52.67 29 A 1 ATOM 242 S SG . CYS A 0 29 . 6.042 20.175 -1.136 1.00 52.67 29 A 1 ATOM 243 N N . SER A 0 30 . 7.040 21.886 -4.984 1.00 50.10 30 A 1 ATOM 244 C CA . SER A 0 30 . 8.216 21.611 -5.827 1.00 50.10 30 A 1 ATOM 245 C C . SER A 0 30 . 9.252 20.713 -5.130 1.00 50.10 30 A 1 ATOM 246 C CB . SER A 0 30 . 8.853 22.943 -6.238 1.00 50.10 30 A 1 ATOM 247 O O . SER A 0 30 . 9.843 19.837 -5.762 1.00 50.10 30 A 1 ATOM 248 O OG . SER A 0 30 . 9.050 23.763 -5.097 1.00 50.10 30 A 1 ATOM 249 N N . ARG A 0 31 . 9.402 20.837 -3.802 1.00 49.51 31 A 1 ATOM 250 C CA . ARG A 0 31 . 10.262 19.954 -2.991 1.00 49.51 31 A 1 ATOM 251 C C . ARG A 0 31 . 9.789 18.502 -2.927 1.00 49.51 31 A 1 ATOM 252 C CB . ARG A 0 31 . 10.432 20.509 -1.568 1.00 49.51 31 A 1 ATOM 253 O O . ARG A 0 31 . 10.629 17.620 -2.779 1.00 49.51 31 A 1 ATOM 254 C CG . ARG A 0 31 . 11.422 21.682 -1.545 1.00 49.51 31 A 1 ATOM 255 C CD . ARG A 0 31 . 11.710 22.172 -0.122 1.00 49.51 31 A 1 ATOM 256 N NE . ARG A 0 31 . 12.491 21.192 0.665 1.00 49.51 31 A 1 ATOM 257 N NH1 . ARG A 0 31 . 12.946 22.566 2.418 1.00 49.51 31 A 1 ATOM 258 N NH2 . ARG A 0 31 . 13.655 20.479 2.504 1.00 49.51 31 A 1 ATOM 259 C CZ . ARG A 0 31 . 13.021 21.407 1.854 1.00 49.51 31 A 1 ATOM 260 N N . TRP A 0 32 . 8.487 18.227 -3.035 1.00 45.38 32 A 1 ATOM 261 C CA . TRP A 0 32 . 7.987 16.848 -2.997 1.00 45.38 32 A 1 ATOM 262 C C . TRP A 0 32 . 8.252 16.119 -4.312 1.00 45.38 32 A 1 ATOM 263 C CB . TRP A 0 32 . 6.502 16.817 -2.621 1.00 45.38 32 A 1 ATOM 264 O O . TRP A 0 32 . 8.646 14.956 -4.292 1.00 45.38 32 A 1 ATOM 265 C CG . TRP A 0 32 . 6.073 15.581 -1.899 1.00 45.38 32 A 1 ATOM 266 C CD1 . TRP A 0 32 . 6.467 15.242 -0.649 1.00 45.38 32 A 1 ATOM 267 C CD2 . TRP A 0 32 . 5.185 14.508 -2.343 1.00 45.38 32 A 1 ATOM 268 C CE2 . TRP A 0 32 . 5.073 13.556 -1.285 1.00 45.38 32 A 1 ATOM 269 C CE3 . TRP A 0 32 . 4.465 14.239 -3.528 1.00 45.38 32 A 1 ATOM 270 N NE1 . TRP A 0 32 . 5.891 14.041 -0.290 1.00 45.38 32 A 1 ATOM 271 C CH2 . TRP A 0 32 . 3.547 12.186 -2.565 1.00 45.38 32 A 1 ATOM 272 C CZ2 . TRP A 0 32 . 4.272 12.411 -1.383 1.00 45.38 32 A 1 ATOM 273 C CZ3 . TRP A 0 32 . 3.652 13.093 -3.635 1.00 45.38 32 A 1 ATOM 274 N N . LYS A 0 33 . 8.130 16.821 -5.448 1.00 46.82 33 A 1 ATOM 275 C CA . LYS A 0 33 . 8.451 16.255 -6.766 1.00 46.82 33 A 1 ATOM 276 C C . LYS A 0 33 . 9.923 15.835 -6.849 1.00 46.82 33 A 1 ATOM 277 C CB . LYS A 0 33 . 8.040 17.239 -7.877 1.00 46.82 33 A 1 ATOM 278 O O . LYS A 0 33 . 10.203 14.740 -7.312 1.00 46.82 33 A 1 ATOM 279 C CG . LYS A 0 33 . 7.815 16.512 -9.213 1.00 46.82 33 A 1 ATOM 280 C CD . LYS A 0 33 . 7.340 17.469 -10.318 1.00 46.82 33 A 1 ATOM 281 C CE . LYS A 0 33 . 7.008 16.665 -11.585 1.00 46.82 33 A 1 ATOM 282 N NZ . LYS A 0 33 . 6.645 17.534 -12.736 1.00 46.82 33 A 1 ATOM 283 N N . LEU A 0 34 . 10.843 16.656 -6.331 1.00 45.51 34 A 1 ATOM 284 C CA . LEU A 0 34 . 12.275 16.326 -6.291 1.00 45.51 34 A 1 ATOM 285 C C . LEU A 0 34 . 12.589 15.168 -5.334 1.00 45.51 34 A 1 ATOM 286 C CB . LEU A 0 34 . 13.080 17.585 -5.924 1.00 45.51 34 A 1 ATOM 287 O O . LEU A 0 34 . 13.321 14.253 -5.703 1.00 45.51 34 A 1 ATOM 288 C CG . LEU A 0 34 . 13.205 18.590 -7.084 1.00 45.51 34 A 1 ATOM 289 C CD1 . LEU A 0 34 . 13.713 19.929 -6.551 1.00 45.51 34 A 1 ATOM 290 C CD2 . LEU A 0 34 . 14.176 18.099 -8.161 1.00 45.51 34 A 1 ATOM 291 N N . ASN A 0 35 . 12.001 15.160 -4.134 1.00 48.25 35 A 1 ATOM 292 C CA . ASN A 0 35 . 12.260 14.088 -3.175 1.00 48.25 35 A 1 ATOM 293 C C . ASN A 0 35 . 11.672 12.743 -3.613 1.00 48.25 35 A 1 ATOM 294 C CB . ASN A 0 35 . 11.767 14.483 -1.771 1.00 48.25 35 A 1 ATOM 295 O O . ASN A 0 35 . 12.309 11.725 -3.367 1.00 48.25 35 A 1 ATOM 296 C CG . ASN A 0 35 . 12.849 15.127 -0.923 1.00 48.25 35 A 1 ATOM 297 N ND2 . ASN A 0 35 . 12.710 15.080 0.380 1.00 48.25 35 A 1 ATOM 298 O OD1 . ASN A 0 35 . 13.840 15.662 -1.380 1.00 48.25 35 A 1 ATOM 299 N N . ASN A 0 36 . 10.497 12.692 -4.244 1.00 41.32 36 A 1 ATOM 300 C CA . ASN A 0 36 . 9.929 11.402 -4.642 1.00 41.32 36 A 1 ATOM 301 C C . ASN A 0 36 . 10.719 10.755 -5.774 1.00 41.32 36 A 1 ATOM 302 C CB . ASN A 0 36 . 8.433 11.519 -4.973 1.00 41.32 36 A 1 ATOM 303 O O . ASN A 0 36 . 11.040 9.581 -5.647 1.00 41.32 36 A 1 ATOM 304 C CG . ASN A 0 36 . 7.538 11.184 -3.793 1.00 41.32 36 A 1 ATOM 305 N ND2 . ASN A 0 36 . 6.248 11.162 -4.015 1.00 41.32 36 A 1 ATOM 306 O OD1 . ASN A 0 36 . 7.958 10.945 -2.674 1.00 41.32 36 A 1 ATOM 307 N N . THR A 0 37 . 11.093 11.489 -6.827 1.00 45.80 37 A 1 ATOM 308 C CA . THR A 0 37 . 11.865 10.896 -7.933 1.00 45.80 37 A 1 ATOM 309 C C . THR A 0 37 . 13.215 10.367 -7.450 1.00 45.80 37 A 1 ATOM 310 C CB . THR A 0 37 . 12.091 11.900 -9.072 1.00 45.80 37 A 1 ATOM 311 O O . THR A 0 37 . 13.626 9.282 -7.848 1.00 45.80 37 A 1 ATOM 312 C CG2 . THR A 0 37 . 12.412 11.205 -10.392 1.00 45.80 37 A 1 ATOM 313 O OG1 . THR A 0 37 . 10.931 12.661 -9.309 1.00 45.80 37 A 1 ATOM 314 N N . HIS A 0 38 . 13.874 11.088 -6.536 1.00 43.83 38 A 1 ATOM 315 C CA . HIS A 0 38 . 15.149 10.649 -5.976 1.00 43.83 38 A 1 ATOM 316 C C . HIS A 0 38 . 14.978 9.447 -5.027 1.00 43.83 38 A 1 ATOM 317 C CB . HIS A 0 38 . 15.852 11.851 -5.324 1.00 43.83 38 A 1 ATOM 318 O O . HIS A 0 38 . 15.658 8.443 -5.181 1.00 43.83 38 A 1 ATOM 319 C CG . HIS A 0 38 . 17.344 11.850 -5.531 1.00 43.83 38 A 1 ATOM 320 C CD2 . HIS A 0 38 . 18.306 11.610 -4.589 1.00 43.83 38 A 1 ATOM 321 N ND1 . HIS A 0 38 . 17.997 12.144 -6.710 1.00 43.83 38 A 1 ATOM 322 C CE1 . HIS A 0 38 . 19.319 12.088 -6.480 1.00 43.83 38 A 1 ATOM 323 N NE2 . HIS A 0 38 . 19.551 11.777 -5.198 1.00 43.83 38 A 1 ATOM 324 N N . ASN A 0 39 . 14.019 9.472 -4.094 1.00 41.39 39 A 1 ATOM 325 C CA . ASN A 0 39 . 13.845 8.364 -3.142 1.00 41.39 39 A 1 ATOM 326 C C . ASN A 0 39 . 13.285 7.080 -3.783 1.00 41.39 39 A 1 ATOM 327 C CB . ASN A 0 39 . 12.968 8.817 -1.964 1.00 41.39 39 A 1 ATOM 328 O O . ASN A 0 39 . 13.587 5.987 -3.307 1.00 41.39 39 A 1 ATOM 329 C CG . ASN A 0 39 . 13.693 9.776 -1.038 1.00 41.39 39 A 1 ATOM 330 N ND2 . ASN A 0 39 . 13.230 10.990 -0.895 1.00 41.39 39 A 1 ATOM 331 O OD1 . ASN A 0 39 . 14.692 9.466 -0.424 1.00 41.39 39 A 1 ATOM 332 N N . PHE A 0 40 . 12.480 7.182 -4.847 1.00 42.12 40 A 1 ATOM 333 C CA . PHE A 0 40 . 11.955 5.997 -5.535 1.00 42.12 40 A 1 ATOM 334 C C . PHE A 0 40 . 13.017 5.290 -6.376 1.00 42.12 40 A 1 ATOM 335 C CB . PHE A 0 40 . 10.739 6.352 -6.403 1.00 42.12 40 A 1 ATOM 336 O O . PHE A 0 40 . 13.032 4.063 -6.417 1.00 42.12 40 A 1 ATOM 337 C CG . PHE A 0 40 . 9.458 5.715 -5.924 1.00 42.12 40 A 1 ATOM 338 C CD1 . PHE A 0 40 . 8.977 4.573 -6.581 1.00 42.12 40 A 1 ATOM 339 C CD2 . PHE A 0 40 . 8.746 6.254 -4.834 1.00 42.12 40 A 1 ATOM 340 C CE1 . PHE A 0 40 . 7.772 3.989 -6.172 1.00 42.12 40 A 1 ATOM 341 C CE2 . PHE A 0 40 . 7.553 5.643 -4.403 1.00 42.12 40 A 1 ATOM 342 C CZ . PHE A 0 40 . 7.063 4.508 -5.075 1.00 42.12 40 A 1 ATOM 343 N N . HIS A 0 41 . 13.906 6.043 -7.031 1.00 41.06 41 A 1 ATOM 344 C CA . HIS A 0 41 . 14.891 5.457 -7.939 1.00 41.06 41 A 1 ATOM 345 C C . HIS A 0 41 . 16.007 4.697 -7.203 1.00 41.06 41 A 1 ATOM 346 C CB . HIS A 0 41 . 15.441 6.557 -8.856 1.00 41.06 41 A 1 ATOM 347 O O . HIS A 0 41 . 16.504 3.703 -7.723 1.00 41.06 41 A 1 ATOM 348 C CG . HIS A 0 41 . 16.166 6.006 -10.056 1.00 41.06 41 A 1 ATOM 349 C CD2 . HIS A 0 41 . 17.515 6.041 -10.288 1.00 41.06 41 A 1 ATOM 350 N ND1 . HIS A 0 41 . 15.588 5.358 -11.126 1.00 41.06 41 A 1 ATOM 351 C CE1 . HIS A 0 41 . 16.564 5.013 -11.981 1.00 41.06 41 A 1 ATOM 352 N NE2 . HIS A 0 41 . 17.755 5.418 -11.516 1.00 41.06 41 A 1 ATOM 353 N N . TYR A 0 42 . 16.374 5.114 -5.985 1.00 38.05 42 A 1 ATOM 354 C CA . TYR A 0 42 . 17.528 4.537 -5.286 1.00 38.05 42 A 1 ATOM 355 C C . TYR A 0 42 . 17.214 3.362 -4.348 1.00 38.05 42 A 1 ATOM 356 C CB . TYR A 0 42 . 18.308 5.658 -4.582 1.00 38.05 42 A 1 ATOM 357 O O . TYR A 0 42 . 18.085 2.525 -4.133 1.00 38.05 42 A 1 ATOM 358 C CG . TYR A 0 42 . 19.148 6.475 -5.551 1.00 38.05 42 A 1 ATOM 359 C CD1 . TYR A 0 42 . 20.315 5.913 -6.102 1.00 38.05 42 A 1 ATOM 360 C CD2 . TYR A 0 42 . 18.765 7.775 -5.926 1.00 38.05 42 A 1 ATOM 361 C CE1 . TYR A 0 42 . 21.081 6.638 -7.037 1.00 38.05 42 A 1 ATOM 362 C CE2 . TYR A 0 42 . 19.508 8.493 -6.877 1.00 38.05 42 A 1 ATOM 363 O OH . TYR A 0 42 . 21.394 8.639 -8.336 1.00 38.05 42 A 1 ATOM 364 C CZ . TYR A 0 42 . 20.671 7.929 -7.432 1.00 38.05 42 A 1 ATOM 365 N N . ASN A 0 43 . 16.000 3.243 -3.800 1.00 41.85 43 A 1 ATOM 366 C CA . ASN A 0 43 . 15.839 2.430 -2.585 1.00 41.85 43 A 1 ATOM 367 C C . ASN A 0 43 . 15.378 0.979 -2.793 1.00 41.85 43 A 1 ATOM 368 C CB . ASN A 0 43 . 14.950 3.188 -1.584 1.00 41.85 43 A 1 ATOM 369 O O . ASN A 0 43 . 15.418 0.214 -1.835 1.00 41.85 43 A 1 ATOM 370 C CG . ASN A 0 43 . 15.593 4.466 -1.068 1.00 41.85 43 A 1 ATOM 371 N ND2 . ASN A 0 43 . 14.878 5.231 -0.279 1.00 41.85 43 A 1 ATOM 372 O OD1 . ASN A 0 43 . 16.723 4.814 -1.355 1.00 41.85 43 A 1 ATOM 373 N N . THR A 0 44 . 14.908 0.561 -3.974 1.00 44.12 44 A 1 ATOM 374 C CA . THR A 0 44 . 14.345 -0.807 -4.115 1.00 44.12 44 A 1 ATOM 375 C C . THR A 0 44 . 14.764 -1.584 -5.352 1.00 44.12 44 A 1 ATOM 376 C CB . THR A 0 44 . 12.812 -0.823 -3.986 1.00 44.12 44 A 1 ATOM 377 O O . THR A 0 44 . 14.855 -2.805 -5.268 1.00 44.12 44 A 1 ATOM 378 C CG2 . THR A 0 44 . 12.356 -0.762 -2.528 1.00 44.12 44 A 1 ATOM 379 O OG1 . THR A 0 44 . 12.222 0.269 -4.652 1.00 44.12 44 A 1 ATOM 380 N N . THR A 0 45 . 15.071 -0.937 -6.474 1.00 49.76 45 A 1 ATOM 381 C CA . THR A 0 45 . 15.363 -1.657 -7.726 1.00 49.76 45 A 1 ATOM 382 C C . THR A 0 45 . 16.795 -2.183 -7.826 1.00 49.76 45 A 1 ATOM 383 C CB . THR A 0 45 . 15.025 -0.800 -8.964 1.00 49.76 45 A 1 ATOM 384 O O . THR A 0 45 . 17.030 -3.137 -8.558 1.00 49.76 45 A 1 ATOM 385 C CG2 . THR A 0 45 . 13.910 -1.445 -9.784 1.00 49.76 45 A 1 ATOM 386 O OG1 . THR A 0 45 . 14.576 0.491 -8.600 1.00 49.76 45 A 1 ATOM 387 N N . THR A 0 46 . 17.753 -1.601 -7.099 1.00 53.64 46 A 1 ATOM 388 C CA . THR A 0 46 . 19.187 -1.934 -7.227 1.00 53.64 46 A 1 ATOM 389 C C . THR A 0 46 . 19.761 -2.707 -6.044 1.00 53.64 46 A 1 ATOM 390 C CB . THR A 0 46 . 20.019 -0.663 -7.422 1.00 53.64 46 A 1 ATOM 391 O O . THR A 0 46 . 20.884 -3.203 -6.129 1.00 53.64 46 A 1 ATOM 392 C CG2 . THR A 0 46 . 19.662 0.064 -8.717 1.00 53.64 46 A 1 ATOM 393 O OG1 . THR A 0 46 . 19.759 0.209 -6.348 1.00 53.64 46 A 1 ATOM 394 N N . LEU A 0 47 . 19.022 -2.832 -4.937 1.00 53.08 47 A 1 ATOM 395 C CA . LEU A 0 47 . 19.514 -3.576 -3.784 1.00 53.08 47 A 1 ATOM 396 C C . LEU A 0 47 . 19.602 -5.066 -4.141 1.00 53.08 47 A 1 ATOM 397 C CB . LEU A 0 47 . 18.628 -3.340 -2.550 1.00 53.08 47 A 1 ATOM 398 O O . LEU A 0 47 . 18.598 -5.653 -4.557 1.00 53.08 47 A 1 ATOM 399 C CG . LEU A 0 47 . 18.788 -1.946 -1.914 1.00 53.08 47 A 1 ATOM 400 C CD1 . LEU A 0 47 . 17.741 -1.792 -0.815 1.00 53.08 47 A 1 ATOM 401 C CD2 . LEU A 0 47 . 20.161 -1.742 -1.266 1.00 53.08 47 A 1 ATOM 402 N N . PRO A 0 48 . 20.762 -5.719 -3.940 1.00 60.43 48 A 1 ATOM 403 C CA . PRO A 0 48 . 20.847 -7.163 -4.058 1.00 60.43 48 A 1 ATOM 404 C C . PRO A 0 48 . 19.777 -7.793 -3.168 1.00 60.43 48 A 1 ATOM 405 C CB . PRO A 0 48 . 22.263 -7.543 -3.606 1.00 60.43 48 A 1 ATOM 406 O O . PRO A 0 48 . 19.655 -7.428 -2.001 1.00 60.43 48 A 1 ATOM 407 C CG . PRO A 0 48 . 23.066 -6.259 -3.807 1.00 60.43 48 A 1 ATOM 408 C CD . PRO A 0 48 . 22.045 -5.153 -3.560 1.00 60.43 48 A 1 ATOM 409 N N . ARG A 0 49 . 19.042 -8.786 -3.676 1.00 62.45 49 A 1 ATOM 410 C CA . ARG A 0 49 . 17.984 -9.501 -2.929 1.00 62.45 49 A 1 ATOM 411 C C . ARG A 0 49 . 18.453 -10.069 -1.573 1.00 62.45 49 A 1 ATOM 412 C CB . ARG A 0 49 . 17.426 -10.590 -3.864 1.00 62.45 49 A 1 ATOM 413 O O . ARG A 0 49 . 17.633 -10.442 -0.741 1.00 62.45 49 A 1 ATOM 414 C CG . ARG A 0 49 . 16.200 -11.329 -3.310 1.00 62.45 49 A 1 ATOM 415 C CD . ARG A 0 49 . 15.624 -12.276 -4.369 1.00 62.45 49 A 1 ATOM 416 N NE . ARG A 0 49 . 14.555 -13.124 -3.805 1.00 62.45 49 A 1 ATOM 417 N NH1 . ARG A 0 49 . 13.323 -13.411 -5.727 1.00 62.45 49 A 1 ATOM 418 N NH2 . ARG A 0 49 . 12.658 -14.386 -3.839 1.00 62.45 49 A 1 ATOM 419 C CZ . ARG A 0 49 . 13.523 -13.633 -4.458 1.00 62.45 49 A 1 ATOM 420 N N . ARG A 0 50 . 19.769 -10.164 -1.357 1.00 70.92 50 A 1 ATOM 421 C CA . ARG A 0 50 . 20.418 -10.627 -0.121 1.00 70.92 50 A 1 ATOM 422 C C . ARG A 0 50 . 21.049 -9.521 0.735 1.00 70.92 50 A 1 ATOM 423 C CB . ARG A 0 50 . 21.451 -11.715 -0.461 1.00 70.92 50 A 1 ATOM 424 O O . ARG A 0 50 . 21.676 -9.853 1.733 1.00 70.92 50 A 1 ATOM 425 C CG . ARG A 0 50 . 20.791 -13.055 -0.802 1.00 70.92 50 A 1 ATOM 426 C CD . ARG A 0 50 . 21.881 -14.123 -0.946 1.00 70.92 50 A 1 ATOM 427 N NE . ARG A 0 50 . 21.312 -15.466 -1.172 1.00 70.92 50 A 1 ATOM 428 N NH1 . ARG A 0 50 . 23.310 -16.563 -1.477 1.00 70.92 50 A 1 ATOM 429 N NH2 . ARG A 0 50 . 21.401 -17.707 -1.580 1.00 70.92 50 A 1 ATOM 430 C CZ . ARG A 0 50 . 22.007 -16.567 -1.407 1.00 70.92 50 A 1 ATOM 431 N N . SER A 0 51 . 20.920 -8.241 0.385 1.00 77.42 51 A 1 ATOM 432 C CA . SER A 0 51 . 21.454 -7.172 1.232 1.00 77.42 51 A 1 ATOM 433 C C . SER A 0 51 . 20.682 -7.096 2.553 1.00 77.42 51 A 1 ATOM 434 C CB . SER A 0 51 . 21.487 -5.825 0.497 1.00 77.42 51 A 1 ATOM 435 O O . SER A 0 51 . 19.468 -7.317 2.605 1.00 77.42 51 A 1 ATOM 436 O OG . SER A 0 51 . 20.196 -5.272 0.345 1.00 77.42 51 A 1 ATOM 437 N N . GLU A 0 52 . 21.379 -6.768 3.641 1.00 80.86 52 A 1 ATOM 438 C CA . GLU A 0 52 . 20.754 -6.576 4.957 1.00 80.86 52 A 1 ATOM 439 C C . GLU A 0 52 . 19.660 -5.502 4.916 1.00 80.86 52 A 1 ATOM 440 C CB . GLU A 0 52 . 21.815 -6.132 5.965 1.00 80.86 52 A 1 ATOM 441 O O . GLU A 0 52 . 18.638 -5.603 5.595 1.00 80.86 52 A 1 ATOM 442 C CG . GLU A 0 52 . 22.856 -7.221 6.254 1.00 80.86 52 A 1 ATOM 443 C CD . GLU A 0 52 . 23.917 -6.752 7.259 1.00 80.86 52 A 1 ATOM 444 O OE1 . GLU A 0 52 . 24.804 -7.577 7.554 1.00 80.86 52 A 1 ATOM 445 O OE2 . GLU A 0 52 . 23.817 -5.590 7.718 1.00 80.86 52 A 1 ATOM 446 N N . GLU A 0 53 . 19.848 -4.480 4.081 1.00 78.03 53 A 1 ATOM 447 C CA . GLU A 0 53 . 18.868 -3.423 3.860 1.00 78.03 53 A 1 ATOM 448 C C . GLU A 0 53 . 17.601 -3.935 3.172 1.00 78.03 53 A 1 ATOM 449 C CB . GLU A 0 53 . 19.548 -2.284 3.101 1.00 78.03 53 A 1 ATOM 450 O O . GLU A 0 53 . 16.503 -3.667 3.661 1.00 78.03 53 A 1 ATOM 451 C CG . GLU A 0 53 . 18.636 -1.052 3.005 1.00 78.03 53 A 1 ATOM 452 C CD . GLU A 0 53 . 19.416 0.268 3.036 1.00 78.03 53 A 1 ATOM 453 O OE1 . GLU A 0 53 . 18.783 1.273 3.426 1.00 78.03 53 A 1 ATOM 454 O OE2 . GLU A 0 53 . 20.636 0.244 2.768 1.00 78.03 53 A 1 ATOM 455 N N . TYR A 0 54 . 17.728 -4.767 2.134 1.00 74.66 54 A 1 ATOM 456 C CA . TYR A 0 54 . 16.578 -5.414 1.500 1.00 74.66 54 A 1 ATOM 457 C C . TYR A 0 54 . 15.797 -6.277 2.502 1.00 74.66 54 A 1 ATOM 458 C CB . TYR A 0 54 . 17.057 -6.251 0.306 1.00 74.66 54 A 1 ATOM 459 O O . TYR A 0 54 . 14.573 -6.174 2.597 1.00 74.66 54 A 1 ATOM 460 C CG . TYR A 0 54 . 15.933 -6.967 -0.410 1.00 74.66 54 A 1 ATOM 461 C CD1 . TYR A 0 54 . 15.569 -8.272 -0.027 1.00 74.66 54 A 1 ATOM 462 C CD2 . TYR A 0 54 . 15.236 -6.316 -1.444 1.00 74.66 54 A 1 ATOM 463 C CE1 . TYR A 0 54 . 14.501 -8.926 -0.669 1.00 74.66 54 A 1 ATOM 464 C CE2 . TYR A 0 54 . 14.173 -6.969 -2.094 1.00 74.66 54 A 1 ATOM 465 O OH . TYR A 0 54 . 12.757 -8.885 -2.317 1.00 74.66 54 A 1 ATOM 466 C CZ . TYR A 0 54 . 13.799 -8.270 -1.703 1.00 74.66 54 A 1 ATOM 467 N N . ILE A 0 55 . 16.496 -7.082 3.311 1.00 77.43 55 A 1 ATOM 468 C CA . ILE A 0 55 . 15.868 -7.923 4.345 1.00 77.43 55 A 1 ATOM 469 C C . ILE A 0 55 . 15.125 -7.059 5.375 1.00 77.43 55 A 1 ATOM 470 C CB . ILE A 0 55 . 16.924 -8.837 5.013 1.00 77.43 55 A 1 ATOM 471 O O . ILE A 0 55 . 14.009 -7.393 5.778 1.00 77.43 55 A 1 ATOM 472 C CG1 . ILE A 0 55 . 17.483 -9.845 3.980 1.00 77.43 55 A 1 ATOM 473 C CG2 . ILE A 0 55 . 16.326 -9.589 6.222 1.00 77.43 55 A 1 ATOM 474 C CD1 . ILE A 0 55 . 18.706 -10.632 4.471 1.00 77.43 55 A 1 ATOM 475 N N . ARG A 0 56 . 15.712 -5.932 5.790 1.00 83.77 56 A 1 ATOM 476 C CA . ARG A 0 56 . 15.103 -4.990 6.741 1.00 83.77 56 A 1 ATOM 477 C C . ARG A 0 56 . 13.836 -4.346 6.182 1.00 83.77 56 A 1 ATOM 478 C CB . ARG A 0 56 . 16.150 -3.929 7.085 1.00 83.77 56 A 1 ATOM 479 O O . ARG A 0 56 . 12.837 -4.278 6.896 1.00 83.77 56 A 1 ATOM 480 C CG . ARG A 0 56 . 15.818 -3.085 8.325 1.00 83.77 56 A 1 ATOM 481 C CD . ARG A 0 56 . 16.750 -1.865 8.460 1.00 83.77 56 A 1 ATOM 482 N NE . ARG A 0 56 . 18.095 -2.100 7.890 1.00 83.77 56 A 1 ATOM 483 N NH1 . ARG A 0 56 . 19.156 -0.219 8.664 1.00 83.77 56 A 1 ATOM 484 N NH2 . ARG A 0 56 . 20.182 -1.541 7.190 1.00 83.77 56 A 1 ATOM 485 C CZ . ARG A 0 56 . 19.134 -1.287 7.919 1.00 83.77 56 A 1 ATOM 486 N N . ILE A 0 57 . 13.866 -3.922 4.918 1.00 81.07 57 A 1 ATOM 487 C CA . ILE A 0 57 . 12.709 -3.353 4.213 1.00 81.07 57 A 1 ATOM 488 C C . ILE A 0 57 . 11.589 -4.393 4.103 1.00 81.07 57 A 1 ATOM 489 C CB . ILE A 0 57 . 13.139 -2.803 2.831 1.00 81.07 57 A 1 ATOM 490 O O . ILE A 0 57 . 10.444 -4.102 4.429 1.00 81.07 57 A 1 ATOM 491 C CG1 . ILE A 0 57 . 14.045 -1.560 3.005 1.00 81.07 57 A 1 ATOM 492 C CG2 . ILE A 0 57 . 11.911 -2.437 1.974 1.00 81.07 57 A 1 ATOM 493 C CD1 . ILE A 0 57 . 14.793 -1.156 1.726 1.00 81.07 57 A 1 ATOM 494 N N . GLN A 0 58 . 11.910 -5.631 3.726 1.00 78.63 58 A 1 ATOM 495 C CA . GLN A 0 58 . 10.921 -6.711 3.636 1.00 78.63 58 A 1 ATOM 496 C C . GLN A 0 58 . 10.279 -7.028 4.996 1.00 78.63 58 A 1 ATOM 497 C CB . GLN A 0 58 . 11.607 -7.957 3.055 1.00 78.63 58 A 1 ATOM 498 O O . GLN A 0 58 . 9.062 -7.194 5.099 1.00 78.63 58 A 1 ATOM 499 C CG . GLN A 0 58 . 11.896 -7.814 1.551 1.00 78.63 58 A 1 ATOM 500 C CD . GLN A 0 58 . 10.628 -7.784 0.707 1.00 78.63 58 A 1 ATOM 501 N NE2 . GLN A 0 58 . 10.629 -7.097 -0.411 1.00 78.63 58 A 1 ATOM 502 O OE1 . GLN A 0 58 . 9.630 -8.404 1.027 1.00 78.63 58 A 1 ATOM 503 N N . ARG A 0 59 . 11.077 -7.064 6.073 1.00 82.87 59 A 1 ATOM 504 C CA . ARG A 0 59 . 10.559 -7.260 7.437 1.00 82.87 59 A 1 ATOM 505 C C . ARG A 0 59 . 9.635 -6.123 7.868 1.00 82.87 59 A 1 ATOM 506 C CB . ARG A 0 59 . 11.711 -7.417 8.438 1.00 82.87 59 A 1 ATOM 507 O O . ARG A 0 59 . 8.560 -6.400 8.395 1.00 82.87 59 A 1 ATOM 508 C CG . ARG A 0 59 . 12.382 -8.795 8.357 1.00 82.87 59 A 1 ATOM 509 C CD . ARG A 0 59 . 13.531 -8.860 9.370 1.00 82.87 59 A 1 ATOM 510 N NE . ARG A 0 59 . 14.251 -10.146 9.312 1.00 82.87 59 A 1 ATOM 511 N NH1 . ARG A 0 59 . 15.676 -9.764 11.077 1.00 82.87 59 A 1 ATOM 512 N NH2 . ARG A 0 59 . 15.832 -11.668 9.934 1.00 82.87 59 A 1 ATOM 513 C CZ . ARG A 0 59 . 15.243 -10.518 10.105 1.00 82.87 59 A 1 ATOM 514 N N . SER A 0 60 . 10.022 -4.868 7.640 1.00 85.02 60 A 1 ATOM 515 C CA . SER A 0 60 . 9.195 -3.717 8.020 1.00 85.02 60 A 1 ATOM 516 C C . SER A 0 60 . 7.899 -3.656 7.210 1.00 85.02 60 A 1 ATOM 517 C CB . SER A 0 60 . 9.985 -2.411 7.917 1.00 85.02 60 A 1 ATOM 518 O O . SER A 0 60 . 6.838 -3.437 7.787 1.00 85.02 60 A 1 ATOM 519 O OG . SER A 0 60 . 10.304 -2.098 6.578 1.00 85.02 60 A 1 ATOM 520 N N . GLN A 0 61 . 7.946 -3.948 5.906 1.00 82.81 61 A 1 ATOM 521 C CA . GLN A 0 61 . 6.755 -4.068 5.060 1.00 82.81 61 A 1 ATOM 522 C C . GLN A 0 61 . 5.790 -5.137 5.583 1.00 82.81 61 A 1 ATOM 523 C CB . GLN A 0 61 . 7.167 -4.389 3.617 1.00 82.81 61 A 1 ATOM 524 O O . GLN A 0 61 . 4.593 -4.870 5.691 1.00 82.81 61 A 1 ATOM 525 C CG . GLN A 0 61 . 7.726 -3.160 2.883 1.00 82.81 61 A 1 ATOM 526 C CD . GLN A 0 61 . 8.200 -3.485 1.469 1.00 82.81 61 A 1 ATOM 527 N NE2 . GLN A 0 61 . 8.542 -2.491 0.682 1.00 82.81 61 A 1 ATOM 528 O OE1 . GLN A 0 61 . 8.279 -4.620 1.034 1.00 82.81 61 A 1 ATOM 529 N N . LYS A 0 62 . 6.299 -6.311 5.982 1.00 84.86 62 A 1 ATOM 530 C CA . LYS A 0 62 . 5.476 -7.376 6.574 1.00 84.86 62 A 1 ATOM 531 C C . LYS A 0 62 . 4.786 -6.922 7.865 1.00 84.86 62 A 1 ATOM 532 C CB . LYS A 0 62 . 6.338 -8.632 6.787 1.00 84.86 62 A 1 ATOM 533 O O . LYS A 0 62 . 3.588 -7.143 8.017 1.00 84.86 62 A 1 ATOM 534 C CG . LYS A 0 62 . 5.482 -9.822 7.246 1.00 84.86 62 A 1 ATOM 535 C CD . LYS A 0 62 . 6.317 -11.093 7.435 1.00 84.86 62 A 1 ATOM 536 C CE . LYS A 0 62 . 5.383 -12.221 7.896 1.00 84.86 62 A 1 ATOM 537 N NZ . LYS A 0 62 . 6.105 -13.496 8.134 1.00 84.86 62 A 1 ATOM 538 N N . ILE A 0 63 . 5.520 -6.264 8.765 1.00 84.82 63 A 1 ATOM 539 C CA . ILE A 0 63 . 4.974 -5.752 10.032 1.00 84.82 63 A 1 ATOM 540 C C . ILE A 0 63 . 3.904 -4.686 9.770 1.00 84.82 63 A 1 ATOM 541 C CB . ILE A 0 63 . 6.109 -5.216 10.936 1.00 84.82 63 A 1 ATOM 542 O O . ILE A 0 63 . 2.810 -4.768 10.320 1.00 84.82 63 A 1 ATOM 543 C CG1 . ILE A 0 63 . 7.012 -6.382 11.403 1.00 84.82 63 A 1 ATOM 544 C CG2 . ILE A 0 63 . 5.542 -4.467 12.159 1.00 84.82 63 A 1 ATOM 545 C CD1 . ILE A 0 63 . 8.345 -5.923 12.009 1.00 84.82 63 A 1 ATOM 546 N N . HIS A 0 64 . 4.178 -3.713 8.898 1.00 84.41 64 A 1 ATOM 547 C CA . HIS A 0 64 . 3.211 -2.665 8.572 1.00 84.41 64 A 1 ATOM 548 C C . HIS A 0 64 . 1.951 -3.227 7.906 1.00 84.41 64 A 1 ATOM 549 C CB . HIS A 0 64 . 3.858 -1.618 7.660 1.00 84.41 64 A 1 ATOM 550 O O . HIS A 0 64 . 0.849 -2.791 8.232 1.00 84.41 64 A 1 ATOM 551 C CG . HIS A 0 64 . 4.998 -0.852 8.280 1.00 84.41 64 A 1 ATOM 552 C CD2 . HIS A 0 64 . 5.142 -0.474 9.590 1.00 84.41 64 A 1 ATOM 553 N ND1 . HIS A 0 64 . 6.085 -0.361 7.596 1.00 84.41 64 A 1 ATOM 554 C CE1 . HIS A 0 64 . 6.867 0.291 8.469 1.00 84.41 64 A 1 ATOM 555 N NE2 . HIS A 0 64 . 6.336 0.250 9.698 1.00 84.41 64 A 1 ATOM 556 N N . LYS A 0 65 . 2.085 -4.217 7.013 1.00 82.11 65 A 1 ATOM 557 C CA . LYS A 0 65 . 0.934 -4.911 6.420 1.00 82.11 65 A 1 ATOM 558 C C . LYS A 0 65 . 0.060 -5.533 7.504 1.00 82.11 65 A 1 ATOM 559 C CB . LYS A 0 65 . 1.415 -5.966 5.411 1.00 82.11 65 A 1 ATOM 560 O O . LYS A 0 65 . -1.149 -5.330 7.496 1.00 82.11 65 A 1 ATOM 561 C CG . LYS A 0 65 . 0.229 -6.698 4.762 1.00 82.11 65 A 1 ATOM 562 C CD . LYS A 0 65 . 0.689 -7.724 3.723 1.00 82.11 65 A 1 ATOM 563 C CE . LYS A 0 65 . -0.552 -8.363 3.080 1.00 82.11 65 A 1 ATOM 564 N NZ . LYS A 0 65 . -0.260 -8.909 1.736 1.00 82.11 65 A 1 ATOM 565 N N . GLN A 0 66 . 0.672 -6.239 8.451 1.00 83.95 66 A 1 ATOM 566 C CA . GLN A 0 66 . -0.054 -6.860 9.551 1.00 83.95 66 A 1 ATOM 567 C C . GLN A 0 66 . -0.762 -5.824 10.435 1.00 83.95 66 A 1 ATOM 568 C CB . GLN A 0 66 . 0.912 -7.766 10.318 1.00 83.95 66 A 1 ATOM 569 O O . GLN A 0 66 . -1.946 -5.975 10.709 1.00 83.95 66 A 1 ATOM 570 C CG . GLN A 0 66 . 0.172 -8.573 11.389 1.00 83.95 66 A 1 ATOM 571 C CD . GLN A 0 66 . 0.866 -9.879 11.757 1.00 83.95 66 A 1 ATOM 572 N NE2 . GLN A 0 66 . 0.208 -10.686 12.553 1.00 83.95 66 A 1 ATOM 573 O OE1 . GLN A 0 66 . 1.968 -10.207 11.328 1.00 83.95 66 A 1 ATOM 574 N N . GLN A 0 67 . -0.105 -4.708 10.762 1.00 87.06 67 A 1 ATOM 575 C CA . GLN A 0 67 . -0.735 -3.604 11.499 1.00 87.06 67 A 1 ATOM 576 C C . GLN A 0 67 . -1.929 -2.985 10.756 1.00 87.06 67 A 1 ATOM 577 C CB . GLN A 0 67 . 0.307 -2.510 11.753 1.00 87.06 67 A 1 ATOM 578 O O . GLN A 0 67 . -2.917 -2.593 11.377 1.00 87.06 67 A 1 ATOM 579 C CG . GLN A 0 67 . 1.354 -2.929 12.791 1.00 87.06 67 A 1 ATOM 580 C CD . GLN A 0 67 . 2.435 -1.873 12.978 1.00 87.06 67 A 1 ATOM 581 N NE2 . GLN A 0 67 . 3.166 -1.931 14.067 1.00 87.06 67 A 1 ATOM 582 O OE1 . GLN A 0 67 . 2.652 -0.980 12.172 1.00 87.06 67 A 1 ATOM 583 N N . ILE A 0 68 . -1.860 -2.876 9.425 1.00 83.11 68 A 1 ATOM 584 C CA . ILE A 0 68 . -2.981 -2.381 8.613 1.00 83.11 68 A 1 ATOM 585 C C . ILE A 0 68 . -4.145 -3.372 8.655 1.00 83.11 68 A 1 ATOM 586 C CB . ILE A 0 68 . -2.528 -2.083 7.165 1.00 83.11 68 A 1 ATOM 587 O O . ILE A 0 68 . -5.286 -2.946 8.829 1.00 83.11 68 A 1 ATOM 588 C CG1 . ILE A 0 68 . -1.570 -0.870 7.151 1.00 83.11 68 A 1 ATOM 589 C CG2 . ILE A 0 68 . -3.725 -1.789 6.235 1.00 83.11 68 A 1 ATOM 590 C CD1 . ILE A 0 68 . -0.794 -0.726 5.836 1.00 83.11 68 A 1 ATOM 591 N N . VAL A 0 69 . -3.864 -4.671 8.525 1.00 85.91 69 A 1 ATOM 592 C CA . VAL A 0 69 . -4.875 -5.733 8.618 1.00 85.91 69 A 1 ATOM 593 C C . VAL A 0 69 . -5.547 -5.729 9.990 1.00 85.91 69 A 1 ATOM 594 C CB . VAL A 0 69 . -4.249 -7.108 8.313 1.00 85.91 69 A 1 ATOM 595 O O . VAL A 0 69 . -6.770 -5.714 10.059 1.00 85.91 69 A 1 ATOM 596 C CG1 . VAL A 0 69 . -5.210 -8.257 8.628 1.00 85.91 69 A 1 ATOM 597 C CG2 . VAL A 0 69 . -3.863 -7.218 6.832 1.00 85.91 69 A 1 ATOM 598 N N . GLU A 0 70 . -4.775 -5.662 11.074 1.00 87.18 70 A 1 ATOM 599 C CA . GLU A 0 70 . -5.305 -5.627 12.444 1.00 87.18 70 A 1 ATOM 600 C C . GLU A 0 70 . -6.183 -4.395 12.697 1.00 87.18 70 A 1 ATOM 601 C CB . GLU A 0 70 . -4.133 -5.635 13.438 1.00 87.18 70 A 1 ATOM 602 O O . GLU A 0 70 . -7.202 -4.482 13.377 1.00 87.18 70 A 1 ATOM 603 C CG . GLU A 0 70 . -3.463 -7.016 13.540 1.00 87.18 70 A 1 ATOM 604 C CD . GLU A 0 70 . -2.163 -7.008 14.362 1.00 87.18 70 A 1 ATOM 605 O OE1 . GLU A 0 70 . -1.500 -8.073 14.378 1.00 87.18 70 A 1 ATOM 606 O OE2 . GLU A 0 70 . -1.804 -5.945 14.922 1.00 87.18 70 A 1 ATOM 607 N N . LYS A 0 71 . -5.813 -3.237 12.135 1.00 91.22 71 A 1 ATOM 608 C CA . LYS A 0 71 . -6.510 -1.971 12.392 1.00 91.22 71 A 1 ATOM 609 C C . LYS A 0 71 . -7.717 -1.719 11.488 1.00 91.22 71 A 1 ATOM 610 C CB . LYS A 0 71 . -5.479 -0.844 12.308 1.00 91.22 71 A 1 ATOM 611 O O . LYS A 0 71 . -8.670 -1.073 11.920 1.00 91.22 71 A 1 ATOM 612 C CG . LYS A 0 71 . -6.071 0.494 12.758 1.00 91.22 71 A 1 ATOM 613 C CD . LYS A 0 71 . -4.967 1.541 12.870 1.00 91.22 71 A 1 ATOM 614 C CE . LYS A 0 71 . -5.587 2.857 13.332 1.00 91.22 71 A 1 ATOM 615 N NZ . LYS A 0 71 . -4.557 3.917 13.402 1.00 91.22 71 A 1 ATOM 616 N N . TYR A 0 72 . -7.661 -2.150 10.230 1.00 89.33 72 A 1 ATOM 617 C CA . TYR A 0 72 . -8.653 -1.804 9.203 1.00 89.33 72 A 1 ATOM 618 C C . TYR A 0 72 . -9.312 -3.021 8.540 1.00 89.33 72 A 1 ATOM 619 C CB . TYR A 0 72 . -7.997 -0.899 8.152 1.00 89.33 72 A 1 ATOM 620 O O . TYR A 0 72 . -10.219 -2.853 7.725 1.00 89.33 72 A 1 ATOM 621 C CG . TYR A 0 72 . -7.427 0.405 8.683 1.00 89.33 72 A 1 ATOM 622 C CD1 . TYR A 0 72 . -8.295 1.455 9.032 1.00 89.33 72 A 1 ATOM 623 C CD2 . TYR A 0 72 . -6.035 0.571 8.820 1.00 89.33 72 A 1 ATOM 624 C CE1 . TYR A 0 72 . -7.780 2.671 9.517 1.00 89.33 72 A 1 ATOM 625 C CE2 . TYR A 0 72 . -5.511 1.786 9.302 1.00 89.33 72 A 1 ATOM 626 O OH . TYR A 0 72 . -5.897 4.005 10.156 1.00 89.33 72 A 1 ATOM 627 C CZ . TYR A 0 72 . -6.385 2.836 9.657 1.00 89.33 72 A 1 ATOM 628 N N . GLY A 0 73 . -8.876 -4.234 8.877 1.00 83.31 73 A 1 ATOM 629 C CA . GLY A 0 73 . -9.335 -5.477 8.270 1.00 83.31 73 A 1 ATOM 630 C C . GLY A 0 73 . -8.603 -5.838 6.975 1.00 83.31 73 A 1 ATOM 631 O O . GLY A 0 73 . -8.035 -4.995 6.271 1.00 83.31 73 A 1 ATOM 632 N N . GLU A 0 74 . -8.650 -7.125 6.633 1.00 88.64 74 A 1 ATOM 633 C CA . GLU A 0 74 . -7.972 -7.705 5.465 1.00 88.64 74 A 1 ATOM 634 C C . GLU A 0 74 . -8.427 -7.089 4.140 1.00 88.64 74 A 1 ATOM 635 C CB . GLU A 0 74 . -8.243 -9.213 5.415 1.00 88.64 74 A 1 ATOM 636 O O . GLU A 0 74 . -7.605 -6.765 3.282 1.00 88.64 74 A 1 ATOM 637 C CG . GLU A 0 74 . -7.574 -9.959 6.576 1.00 88.64 74 A 1 ATOM 638 C CD . GLU A 0 74 . -7.788 -11.475 6.515 1.00 88.64 74 A 1 ATOM 639 O OE1 . GLU A 0 74 . -7.106 -12.164 7.303 1.00 88.64 74 A 1 ATOM 640 O OE2 . GLU A 0 74 . -8.609 -11.920 5.683 1.00 88.64 74 A 1 ATOM 641 N N . HIS A 0 75 . -9.734 -6.857 3.991 1.00 88.13 75 A 1 ATOM 642 C CA . HIS A 0 75 . -10.297 -6.289 2.768 1.00 88.13 75 A 1 ATOM 643 C C . HIS A 0 75 . -9.715 -4.901 2.462 1.00 88.13 75 A 1 ATOM 644 C CB . HIS A 0 75 . -11.824 -6.235 2.903 1.00 88.13 75 A 1 ATOM 645 O O . HIS A 0 75 . -9.358 -4.603 1.321 1.00 88.13 75 A 1 ATOM 646 C CG . HIS A 0 75 . -12.487 -5.671 1.675 1.00 88.13 75 A 1 ATOM 647 C CD2 . HIS A 0 75 . -12.759 -6.342 0.513 1.00 88.13 75 A 1 ATOM 648 N ND1 . HIS A 0 75 . -12.880 -4.365 1.493 1.00 88.13 75 A 1 ATOM 649 C CE1 . HIS A 0 75 . -13.381 -4.254 0.252 1.00 88.13 75 A 1 ATOM 650 N NE2 . HIS A 0 75 . -13.319 -5.429 -0.388 1.00 88.13 75 A 1 ATOM 651 N N . PHE A 0 76 . -9.563 -4.051 3.482 1.00 86.92 76 A 1 ATOM 652 C CA . PHE A 0 76 . -8.952 -2.737 3.306 1.00 86.92 76 A 1 ATOM 653 C C . PHE A 0 76 . -7.476 -2.854 2.915 1.00 86.92 76 A 1 ATOM 654 C CB . PHE A 0 76 . -9.118 -1.916 4.587 1.00 86.92 76 A 1 ATOM 655 O O . PHE A 0 76 . -7.038 -2.179 1.980 1.00 86.92 76 A 1 ATOM 656 C CG . PHE A 0 76 . -8.527 -0.526 4.469 1.00 86.92 76 A 1 ATOM 657 C CD1 . PHE A 0 76 . -7.225 -0.270 4.939 1.00 86.92 76 A 1 ATOM 658 C CD2 . PHE A 0 76 . -9.266 0.505 3.862 1.00 86.92 76 A 1 ATOM 659 C CE1 . PHE A 0 76 . -6.676 1.018 4.829 1.00 86.92 76 A 1 ATOM 660 C CE2 . PHE A 0 76 . -8.712 1.792 3.740 1.00 86.92 76 A 1 ATOM 661 C CZ . PHE A 0 76 . -7.419 2.049 4.228 1.00 86.92 76 A 1 ATOM 662 N N . ALA A 0 77 . -6.726 -3.738 3.580 1.00 85.37 77 A 1 ATOM 663 C CA . ALA A 0 77 . -5.321 -3.979 3.268 1.00 85.37 77 A 1 ATOM 664 C C . ALA A 0 77 . -5.130 -4.403 1.801 1.00 85.37 77 A 1 ATOM 665 C CB . ALA A 0 77 . -4.769 -5.020 4.247 1.00 85.37 77 A 1 ATOM 666 O O . ALA A 0 77 . -4.315 -3.808 1.096 1.00 85.37 77 A 1 ATOM 667 N N . MET A 0 78 . -5.949 -5.337 1.303 1.00 85.72 78 A 1 ATOM 668 C CA . MET A 0 78 . -5.914 -5.778 -0.097 1.00 85.72 78 A 1 ATOM 669 C C . MET A 0 78 . -6.191 -4.647 -1.095 1.00 85.72 78 A 1 ATOM 670 C CB . MET A 0 78 . -6.962 -6.871 -0.324 1.00 85.72 78 A 1 ATOM 671 O O . MET A 0 78 . -5.526 -4.542 -2.128 1.00 85.72 78 A 1 ATOM 672 C CG . MET A 0 78 . -6.519 -8.245 0.177 1.00 85.72 78 A 1 ATOM 673 S SD . MET A 0 78 . -7.727 -9.564 -0.140 1.00 85.72 78 A 1 ATOM 674 C CE . MET A 0 78 . -8.049 -9.376 -1.916 1.00 85.72 78 A 1 ATOM 675 N N . VAL A 0 79 . -7.170 -3.782 -0.811 1.00 86.56 79 A 1 ATOM 676 C CA . VAL A 0 79 . -7.494 -2.643 -1.688 1.00 86.56 79 A 1 ATOM 677 C C . VAL A 0 79 . -6.331 -1.650 -1.753 1.00 86.56 79 A 1 ATOM 678 C CB . VAL A 0 79 . -8.794 -1.953 -1.229 1.00 86.56 79 A 1 ATOM 679 O O . VAL A 0 79 . -6.056 -1.095 -2.821 1.00 86.56 79 A 1 ATOM 680 C CG1 . VAL A 0 79 . -9.063 -0.636 -1.978 1.00 86.56 79 A 1 ATOM 681 C CG2 . VAL A 0 79 . -10.008 -2.858 -1.479 1.00 86.56 79 A 1 ATOM 682 N N . VAL A 0 80 . -5.643 -1.420 -0.631 1.00 82.28 80 A 1 ATOM 683 C CA . VAL A 0 80 . -4.453 -0.561 -0.581 1.00 82.28 80 A 1 ATOM 684 C C . VAL A 0 80 . -3.300 -1.182 -1.367 1.00 82.28 80 A 1 ATOM 685 C CB . VAL A 0 80 . -4.054 -0.241 0.872 1.00 82.28 80 A 1 ATOM 686 O O . VAL A 0 80 . -2.735 -0.489 -2.210 1.00 82.28 80 A 1 ATOM 687 C CG1 . VAL A 0 80 . -2.728 0.529 0.954 1.00 82.28 80 A 1 ATOM 688 C CG2 . VAL A 0 80 . -5.125 0.636 1.538 1.00 82.28 80 A 1 ATOM 689 N N . GLU A 0 81 . -3.000 -2.470 -1.170 1.00 81.24 81 A 1 ATOM 690 C CA . GLU A 0 81 . -1.950 -3.177 -1.925 1.00 81.24 81 A 1 ATOM 691 C C . GLU A 0 81 . -2.193 -3.091 -3.431 1.00 81.24 81 A 1 ATOM 692 C CB . GLU A 0 81 . -1.856 -4.650 -1.495 1.00 81.24 81 A 1 ATOM 693 O O . GLU A 0 81 . -1.344 -2.593 -4.167 1.00 81.24 81 A 1 ATOM 694 C CG . GLU A 0 81 . -1.191 -4.787 -0.123 1.00 81.24 81 A 1 ATOM 695 C CD . GLU A 0 81 . -0.848 -6.238 0.231 1.00 81.24 81 A 1 ATOM 696 O OE1 . GLU A 0 81 . 0.225 -6.451 0.838 1.00 81.24 81 A 1 ATOM 697 O OE2 . GLU A 0 81 . -1.651 -7.174 0.014 1.00 81.24 81 A 1 ATOM 698 N N . LYS A 0 82 . -3.408 -3.417 -3.885 1.00 82.96 82 A 1 ATOM 699 C CA . LYS A 0 82 . -3.763 -3.334 -5.306 1.00 82.96 82 A 1 ATOM 700 C C . LYS A 0 82 . -3.597 -1.920 -5.870 1.00 82.96 82 A 1 ATOM 701 C CB . LYS A 0 82 . -5.191 -3.869 -5.483 1.00 82.96 82 A 1 ATOM 702 O O . LYS A 0 82 . -3.237 -1.757 -7.034 1.00 82.96 82 A 1 ATOM 703 C CG . LYS A 0 82 . -5.573 -4.019 -6.963 1.00 82.96 82 A 1 ATOM 704 C CD . LYS A 0 82 . -6.939 -4.697 -7.120 1.00 82.96 82 A 1 ATOM 705 C CE . LYS A 0 82 . -7.251 -4.911 -8.608 1.00 82.96 82 A 1 ATOM 706 N NZ . LYS A 0 82 . -8.530 -5.642 -8.801 1.00 82.96 82 A 1 ATOM 707 N N . LYS A 0 83 . -3.882 -0.869 -5.091 1.00 80.67 83 A 1 ATOM 708 C CA . LYS A 0 83 . -3.669 0.523 -5.531 1.00 80.67 83 A 1 ATOM 709 C C . LYS A 0 83 . -2.187 0.872 -5.636 1.00 80.67 83 A 1 ATOM 710 C CB . LYS A 0 83 . -4.371 1.507 -4.588 1.00 80.67 83 A 1 ATOM 711 O O . LYS A 0 83 . -1.817 1.577 -6.574 1.00 80.67 83 A 1 ATOM 712 C CG . LYS A 0 83 . -5.870 1.608 -4.885 1.00 80.67 83 A 1 ATOM 713 C CD . LYS A 0 83 . -6.518 2.614 -3.929 1.00 80.67 83 A 1 ATOM 714 C CE . LYS A 0 83 . -8.017 2.717 -4.226 1.00 80.67 83 A 1 ATOM 715 N NZ . LYS A 0 83 . -8.690 3.666 -3.304 1.00 80.67 83 A 1 ATOM 716 N N . VAL A 0 84 . -1.370 0.390 -4.703 1.00 77.61 84 A 1 ATOM 717 C CA . VAL A 0 84 . 0.085 0.571 -4.721 1.00 77.61 84 A 1 ATOM 718 C C . VAL A 0 84 . 0.685 -0.151 -5.929 1.00 77.61 84 A 1 ATOM 719 C CB . VAL A 0 84 . 0.700 0.124 -3.379 1.00 77.61 84 A 1 ATOM 720 O O . VAL A 0 84 . 1.371 0.491 -6.721 1.00 77.61 84 A 1 ATOM 721 C CG1 . VAL A 0 84 . 2.229 0.114 -3.408 1.00 77.61 84 A 1 ATOM 722 C CG2 . VAL A 0 84 . 0.274 1.080 -2.254 1.00 77.61 84 A 1 ATOM 723 N N . ASP A 0 85 . 0.329 -1.414 -6.164 1.00 74.31 85 A 1 ATOM 724 C CA . ASP A 0 85 . 0.801 -2.191 -7.320 1.00 74.31 85 A 1 ATOM 725 C C . ASP A 0 85 . 0.424 -1.529 -8.649 1.00 74.31 85 A 1 ATOM 726 C CB . ASP A 0 85 . 0.211 -3.608 -7.279 1.00 74.31 85 A 1 ATOM 727 O O . ASP A 0 85 . 1.261 -1.361 -9.534 1.00 74.31 85 A 1 ATOM 728 C CG . ASP A 0 85 . 0.750 -4.466 -6.133 1.00 74.31 85 A 1 ATOM 729 O OD1 . ASP A 0 85 . 1.847 -4.145 -5.624 1.00 74.31 85 A 1 ATOM 730 O OD2 . ASP A 0 85 . 0.043 -5.441 -5.797 1.00 74.31 85 A 1 ATOM 731 N N . ASN A 0 86 . -0.820 -1.056 -8.775 1.00 73.69 86 A 1 ATOM 732 C CA . ASN A 0 86 . -1.252 -0.312 -9.960 1.00 73.69 86 A 1 ATOM 733 C C . ASN A 0 86 . -0.474 0.998 -10.156 1.00 73.69 86 A 1 ATOM 734 C CB . ASN A 0 86 . -2.754 -0.016 -9.861 1.00 73.69 86 A 1 ATOM 735 O O . ASN A 0 86 . -0.253 1.413 -11.291 1.00 73.69 86 A 1 ATOM 736 C CG . ASN A 0 86 . -3.599 -1.202 -10.271 1.00 73.69 86 A 1 ATOM 737 N ND2 . ASN A 0 86 . -4.543 -1.610 -9.469 1.00 73.69 86 A 1 ATOM 738 O OD1 . ASN A 0 86 . -3.459 -1.769 -11.333 1.00 73.69 86 A 1 ATOM 739 N N . TYR A 0 87 . -0.077 1.671 -9.074 1.00 68.83 87 A 1 ATOM 740 C CA . TYR A 0 87 . 0.746 2.875 -9.158 1.00 68.83 87 A 1 ATOM 741 C C . TYR A 0 87 . 2.166 2.547 -9.641 1.00 68.83 87 A 1 ATOM 742 C CB . TYR A 0 87 . 0.738 3.592 -7.803 1.00 68.83 87 A 1 ATOM 743 O O . TYR A 0 87 . 2.686 3.256 -10.498 1.00 68.83 87 A 1 ATOM 744 C CG . TYR A 0 87 . 1.435 4.935 -7.813 1.00 68.83 87 A 1 ATOM 745 C CD1 . TYR A 0 87 . 2.761 5.039 -7.353 1.00 68.83 87 A 1 ATOM 746 C CD2 . TYR A 0 87 . 0.757 6.077 -8.281 1.00 68.83 87 A 1 ATOM 747 C CE1 . TYR A 0 87 . 3.409 6.287 -7.352 1.00 68.83 87 A 1 ATOM 748 C CE2 . TYR A 0 87 . 1.409 7.325 -8.300 1.00 68.83 87 A 1 ATOM 749 O OH . TYR A 0 87 . 3.386 8.623 -7.897 1.00 68.83 87 A 1 ATOM 750 C CZ . TYR A 0 87 . 2.740 7.428 -7.845 1.00 68.83 87 A 1 ATOM 751 N N . HIS A 0 88 . 2.755 1.441 -9.174 1.00 61.33 88 A 1 ATOM 752 C CA . HIS A 0 88 . 4.048 0.954 -9.664 1.00 61.33 88 A 1 ATOM 753 C C . HIS A 0 88 . 3.997 0.553 -11.145 1.00 61.33 88 A 1 ATOM 754 C CB . HIS A 0 88 . 4.529 -0.215 -8.794 1.00 61.33 88 A 1 ATOM 755 O O . HIS A 0 88 . 4.863 0.959 -11.917 1.00 61.33 88 A 1 ATOM 756 C CG . HIS A 0 88 . 4.985 0.220 -7.427 1.00 61.33 88 A 1 ATOM 757 C CD2 . HIS A 0 88 . 4.366 -0.021 -6.231 1.00 61.33 88 A 1 ATOM 758 N ND1 . HIS A 0 88 . 6.158 0.877 -7.146 1.00 61.33 88 A 1 ATOM 759 C CE1 . HIS A 0 88 . 6.237 1.034 -5.814 1.00 61.33 88 A 1 ATOM 760 N NE2 . HIS A 0 88 . 5.150 0.536 -5.214 1.00 61.33 88 A 1 ATOM 761 N N . LEU A 0 89 . 2.955 -0.170 -11.570 1.00 63.81 89 A 1 ATOM 762 C CA . LEU A 0 89 . 2.765 -0.551 -12.976 1.00 63.81 89 A 1 ATOM 763 C C . LEU A 0 89 . 2.621 0.664 -13.904 1.00 63.81 89 A 1 ATOM 764 C CB . LEU A 0 89 . 1.531 -1.462 -13.099 1.00 63.81 89 A 1 ATOM 765 O O . LEU A 0 89 . 3.105 0.627 -15.027 1.00 63.81 89 A 1 ATOM 766 C CG . LEU A 0 89 . 1.714 -2.880 -12.528 1.00 63.81 89 A 1 ATOM 767 C CD1 . LEU A 0 89 . 0.364 -3.599 -12.523 1.00 63.81 89 A 1 ATOM 768 C CD2 . LEU A 0 89 . 2.698 -3.711 -13.355 1.00 63.81 89 A 1 ATOM 769 N N . LYS A 0 90 . 1.987 1.750 -13.442 1.00 67.80 90 A 1 ATOM 770 C CA . LYS A 0 90 . 1.847 3.000 -14.212 1.00 67.80 90 A 1 ATOM 771 C C . LYS A 0 90 . 3.117 3.844 -14.304 1.00 67.80 90 A 1 ATOM 772 C CB . LYS A 0 90 . 0.743 3.869 -13.601 1.00 67.80 90 A 1 ATOM 773 O O . LYS A 0 90 . 3.142 4.764 -15.105 1.00 67.80 90 A 1 ATOM 774 C CG . LYS A 0 90 . -0.654 3.375 -13.969 1.00 67.80 90 A 1 ATOM 775 C CD . LYS A 0 90 . -1.683 4.357 -13.405 1.00 67.80 90 A 1 ATOM 776 C CE . LYS A 0 90 . -3.085 3.836 -13.713 1.00 67.80 90 A 1 ATOM 777 N NZ . LYS A 0 90 . -4.117 4.837 -13.359 1.00 67.80 90 A 1 ATOM 778 N N . ILE A 0 91 . 4.100 3.625 -13.432 1.00 63.72 91 A 1 ATOM 779 C CA . ILE A 0 91 . 5.389 4.334 -13.487 1.00 63.72 91 A 1 ATOM 780 C C . ILE A 0 91 . 6.377 3.583 -14.380 1.00 63.72 91 A 1 ATOM 781 C CB . ILE A 0 91 . 5.934 4.558 -12.058 1.00 63.72 91 A 1 ATOM 782 O O . ILE A 0 91 . 7.229 4.208 -15.004 1.00 63.72 91 A 1 ATOM 783 C CG1 . ILE A 0 91 . 5.062 5.622 -11.361 1.00 63.72 91 A 1 ATOM 784 C CG2 . ILE A 0 91 . 7.411 5.007 -12.061 1.00 63.72 91 A 1 ATOM 785 C CD1 . ILE A 0 91 . 5.371 5.816 -9.877 1.00 63.72 91 A 1 ATOM 786 N N . ASN A 0 92 . 6.277 2.253 -14.412 1.00 53.53 92 A 1 ATOM 787 C CA . ASN A 0 92 . 7.170 1.406 -15.197 1.00 53.53 92 A 1 ATOM 788 C C . ASN A 0 92 . 6.735 1.245 -16.666 1.00 53.53 92 A 1 ATOM 789 C CB . ASN A 0 92 . 7.289 0.042 -14.499 1.00 53.53 92 A 1 ATOM 790 O O . ASN A 0 92 . 7.561 0.824 -17.471 1.00 53.53 92 A 1 ATOM 791 C CG . ASN A 0 92 . 8.027 0.073 -13.170 1.00 53.53 92 A 1 ATOM 792 N ND2 . ASN A 0 92 . 8.120 -1.065 -12.521 1.00 53.53 92 A 1 ATOM 793 O OD1 . ASN A 0 92 . 8.539 1.069 -12.686 1.00 53.53 92 A 1 ATOM 794 N N . ASN A 0 93 . 5.473 1.550 -16.993 1.00 50.07 93 A 1 ATOM 795 C CA . ASN A 0 93 . 4.954 1.665 -18.363 1.00 50.07 93 A 1 ATOM 796 C C . ASN A 0 93 . 4.901 3.133 -18.786 1.00 50.07 93 A 1 ATOM 797 C CB . ASN A 0 93 . 3.542 1.050 -18.442 1.00 50.07 93 A 1 ATOM 798 O O . ASN A 0 93 . 5.191 3.407 -19.969 1.00 50.07 93 A 1 ATOM 799 C CG . ASN A 0 93 . 3.472 -0.461 -18.341 1.00 50.07 93 A 1 ATOM 800 N ND2 . ASN A 0 93 . 2.386 -0.977 -17.816 1.00 50.07 93 A 1 ATOM 801 O OD1 . ASN A 0 93 . 4.329 -1.217 -18.760 1.00 50.07 93 A 1 ATOM 802 O OXT . ASN A 0 93 . 4.473 3.929 -17.922 1.00 50.07 93 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 64.56 # loop_ _atom_type.symbol C N O S #