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 VAL 0 3 TYR 0 4 LEU 0 5 ILE 0 6 SER 0 7 ALA 0 8 SER 0 9 ARG 0 10 LYS 0 11 SER 0 12 LYS 0 13 PHE 0 14 ILE 0 15 GLN 0 16 ILE 0 17 LYS 0 18 VAL 0 19 SER 0 20 PHE 0 21 PHE 0 22 VAL 0 23 LEU 0 24 PHE 0 25 TRP 0 26 ILE 0 27 LYS 0 28 LYS 0 29 LYS 0 30 PHE 0 31 ALA 0 32 VAL 0 33 PRO 0 34 LEU 0 35 TYR 0 36 CYS 0 37 ASN 0 38 ASN 0 39 GLU 0 40 TYR 0 41 GLY 0 42 ILE 0 43 LEU 0 44 ILE 0 45 LEU 0 46 ALA 0 47 LEU 0 48 HIS 0 49 SER 0 50 THR 0 51 ARG 0 52 TYR 0 53 CYS 0 54 LEU 0 55 SER 0 56 MET 0 57 SER 0 58 CYS 0 59 SER 0 60 SER 0 61 ASN 0 62 LEU 0 63 VAL 0 64 SER 0 65 MET 0 66 SER 0 67 PHE 0 68 THR 0 69 THR 0 70 ARG 0 71 LEU 0 72 CYS 0 73 GLY 0 74 GLU 0 75 SER # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 0 1 . -35.688 8.081 29.379 1.00 55.75 1 A 1 ATOM 2 C CA . MET A 0 1 . -34.544 8.598 28.591 1.00 55.75 1 A 1 ATOM 3 C C . MET A 0 1 . -33.911 7.468 27.770 1.00 55.75 1 A 1 ATOM 4 C CB . MET A 0 1 . -33.552 9.258 29.569 1.00 55.75 1 A 1 ATOM 5 O O . MET A 0 1 . -32.836 7.002 28.100 1.00 55.75 1 A 1 ATOM 6 C CG . MET A 0 1 . -32.345 9.958 28.937 1.00 55.75 1 A 1 ATOM 7 S SD . MET A 0 1 . -31.416 10.880 30.187 1.00 55.75 1 A 1 ATOM 8 C CE . MET A 0 1 . -30.007 11.476 29.218 1.00 55.75 1 A 1 ATOM 9 N N . VAL A 0 2 . -34.593 6.968 26.730 1.00 54.09 2 A 1 ATOM 10 C CA . VAL A 0 2 . -34.104 5.810 25.935 1.00 54.09 2 A 1 ATOM 11 C C . VAL A 0 2 . -34.035 6.126 24.431 1.00 54.09 2 A 1 ATOM 12 C CB . VAL A 0 2 . -34.929 4.535 26.247 1.00 54.09 2 A 1 ATOM 13 O O . VAL A 0 2 . -33.200 5.584 23.715 1.00 54.09 2 A 1 ATOM 14 C CG1 . VAL A 0 2 . -34.340 3.282 25.589 1.00 54.09 2 A 1 ATOM 15 C CG2 . VAL A 0 2 . -34.985 4.262 27.760 1.00 54.09 2 A 1 ATOM 16 N N . TYR A 0 3 . -34.807 7.106 23.952 1.00 56.14 3 A 1 ATOM 17 C CA . TYR A 0 3 . -34.915 7.407 22.521 1.00 56.14 3 A 1 ATOM 18 C C . TYR A 0 3 . -33.763 8.249 21.930 1.00 56.14 3 A 1 ATOM 19 C CB . TYR A 0 3 . -36.307 8.008 22.271 1.00 56.14 3 A 1 ATOM 20 O O . TYR A 0 3 . -33.544 8.213 20.723 1.00 56.14 3 A 1 ATOM 21 C CG . TYR A 0 3 . -37.426 7.035 22.614 1.00 56.14 3 A 1 ATOM 22 C CD1 . TYR A 0 3 . -37.686 5.958 21.745 1.00 56.14 3 A 1 ATOM 23 C CD2 . TYR A 0 3 . -38.181 7.176 23.799 1.00 56.14 3 A 1 ATOM 24 C CE1 . TYR A 0 3 . -38.688 5.021 22.057 1.00 56.14 3 A 1 ATOM 25 C CE2 . TYR A 0 3 . -39.185 6.236 24.114 1.00 56.14 3 A 1 ATOM 26 O OH . TYR A 0 3 . -40.411 4.247 23.514 1.00 56.14 3 A 1 ATOM 27 C CZ . TYR A 0 3 . -39.442 5.157 23.239 1.00 56.14 3 A 1 ATOM 28 N N . LEU A 0 4 . -32.958 8.945 22.747 1.00 54.57 4 A 1 ATOM 29 C CA . LEU A 0 4 . -31.888 9.837 22.251 1.00 54.57 4 A 1 ATOM 30 C C . LEU A 0 4 . -30.564 9.124 21.911 1.00 54.57 4 A 1 ATOM 31 C CB . LEU A 0 4 . -31.674 10.980 23.262 1.00 54.57 4 A 1 ATOM 32 O O . LEU A 0 4 . -29.778 9.618 21.104 1.00 54.57 4 A 1 ATOM 33 C CG . LEU A 0 4 . -32.782 12.053 23.215 1.00 54.57 4 A 1 ATOM 34 C CD1 . LEU A 0 4 . -32.699 12.941 24.454 1.00 54.57 4 A 1 ATOM 35 C CD2 . LEU A 0 4 . -32.657 12.944 21.977 1.00 54.57 4 A 1 ATOM 36 N N . ILE A 0 5 . -30.313 7.937 22.467 1.00 54.96 5 A 1 ATOM 37 C CA . ILE A 0 5 . -29.036 7.226 22.271 1.00 54.96 5 A 1 ATOM 38 C C . ILE A 0 5 . -28.949 6.610 20.861 1.00 54.96 5 A 1 ATOM 39 C CB . ILE A 0 5 . -28.826 6.197 23.410 1.00 54.96 5 A 1 ATOM 40 O O . ILE A 0 5 . -27.858 6.494 20.300 1.00 54.96 5 A 1 ATOM 41 C CG1 . ILE A 0 5 . -28.799 6.919 24.783 1.00 54.96 5 A 1 ATOM 42 C CG2 . ILE A 0 5 . -27.526 5.394 23.206 1.00 54.96 5 A 1 ATOM 43 C CD1 . ILE A 0 5 . -28.802 5.979 25.994 1.00 54.96 5 A 1 ATOM 44 N N . SER A 0 6 . -30.086 6.260 20.251 1.00 55.29 6 A 1 ATOM 45 C CA . SER A 0 6 . -30.112 5.555 18.960 1.00 55.29 6 A 1 ATOM 46 C C . SER A 0 6 . -29.777 6.466 17.766 1.00 55.29 6 A 1 ATOM 47 C CB . SER A 0 6 . -31.462 4.850 18.791 1.00 55.29 6 A 1 ATOM 48 O O . SER A 0 6 . -29.069 6.053 16.846 1.00 55.29 6 A 1 ATOM 49 O OG . SER A 0 6 . -31.300 3.709 17.976 1.00 55.29 6 A 1 ATOM 50 N N . ALA A 0 7 . -30.185 7.742 17.802 1.00 55.71 7 A 1 ATOM 51 C CA . ALA A 0 7 . -29.889 8.702 16.732 1.00 55.71 7 A 1 ATOM 52 C C . ALA A 0 7 . -28.402 9.112 16.695 1.00 55.71 7 A 1 ATOM 53 C CB . ALA A 0 7 . -30.813 9.914 16.897 1.00 55.71 7 A 1 ATOM 54 O O . ALA A 0 7 . -27.805 9.210 15.621 1.00 55.71 7 A 1 ATOM 55 N N . SER A 0 8 . -27.767 9.270 17.865 1.00 58.01 8 A 1 ATOM 56 C CA . SER A 0 8 . -26.356 9.680 17.971 1.00 58.01 8 A 1 ATOM 57 C C . SER A 0 8 . -25.389 8.665 17.343 1.00 58.01 8 A 1 ATOM 58 C CB . SER A 0 8 . -26.005 9.894 19.449 1.00 58.01 8 A 1 ATOM 59 O O . SER A 0 8 . -24.358 9.036 16.779 1.00 58.01 8 A 1 ATOM 60 O OG . SER A 0 8 . -24.742 10.524 19.582 1.00 58.01 8 A 1 ATOM 61 N N . ARG A 0 9 . -25.730 7.370 17.385 1.00 61.38 9 A 1 ATOM 62 C CA . ARG A 0 9 . -24.860 6.295 16.883 1.00 61.38 9 A 1 ATOM 63 C C . ARG A 0 9 . -24.818 6.225 15.355 1.00 61.38 9 A 1 ATOM 64 C CB . ARG A 0 9 . -25.273 4.955 17.513 1.00 61.38 9 A 1 ATOM 65 O O . ARG A 0 9 . -23.748 5.986 14.801 1.00 61.38 9 A 1 ATOM 66 C CG . ARG A 0 9 . -24.993 4.924 19.026 1.00 61.38 9 A 1 ATOM 67 C CD . ARG A 0 9 . -25.423 3.582 19.630 1.00 61.38 9 A 1 ATOM 68 N NE . ARG A 0 9 . -25.267 3.566 21.099 1.00 61.38 9 A 1 ATOM 69 N NH1 . ARG A 0 9 . -25.633 1.320 21.422 1.00 61.38 9 A 1 ATOM 70 N NH2 . ARG A 0 9 . -25.249 2.629 23.181 1.00 61.38 9 A 1 ATOM 71 C CZ . ARG A 0 9 . -25.382 2.511 21.889 1.00 61.38 9 A 1 ATOM 72 N N . LYS A 0 10 . -25.936 6.489 14.664 1.00 61.14 10 A 1 ATOM 73 C CA . LYS A 0 10 . -25.991 6.438 13.188 1.00 61.14 10 A 1 ATOM 74 C C . LYS A 0 10 . -25.157 7.542 12.531 1.00 61.14 10 A 1 ATOM 75 C CB . LYS A 0 10 . -27.447 6.461 12.689 1.00 61.14 10 A 1 ATOM 76 O O . LYS A 0 10 . -24.412 7.249 11.601 1.00 61.14 10 A 1 ATOM 77 C CG . LYS A 0 10 . -28.143 5.100 12.860 1.00 61.14 10 A 1 ATOM 78 C CD . LYS A 0 10 . -29.552 5.117 12.242 1.00 61.14 10 A 1 ATOM 79 C CE . LYS A 0 10 . -30.221 3.739 12.360 1.00 61.14 10 A 1 ATOM 80 N NZ . LYS A 0 10 . -31.584 3.730 11.763 1.00 61.14 10 A 1 ATOM 81 N N . SER A 0 11 . -25.215 8.772 13.047 1.00 61.06 11 A 1 ATOM 82 C CA . SER A 0 11 . -24.424 9.892 12.504 1.00 61.06 11 A 1 ATOM 83 C C . SER A 0 11 . -22.915 9.667 12.685 1.00 61.06 11 A 1 ATOM 84 C CB . SER A 0 11 . -24.879 11.207 13.146 1.00 61.06 11 A 1 ATOM 85 O O . SER A 0 11 . -22.137 9.800 11.739 1.00 61.06 11 A 1 ATOM 86 O OG . SER A 0 11 . -24.222 12.277 12.512 1.00 61.06 11 A 1 ATOM 87 N N . LYS A 0 12 . -22.504 9.178 13.865 1.00 64.57 12 A 1 ATOM 88 C CA . LYS A 0 12 . -21.097 8.842 14.144 1.00 64.57 12 A 1 ATOM 89 C C . LYS A 0 12 . -20.576 7.696 13.275 1.00 64.57 12 A 1 ATOM 90 C CB . LYS A 0 12 . -20.915 8.530 15.636 1.00 64.57 12 A 1 ATOM 91 O O . LYS A 0 12 . -19.441 7.758 12.812 1.00 64.57 12 A 1 ATOM 92 C CG . LYS A 0 12 . -21.047 9.798 16.492 1.00 64.57 12 A 1 ATOM 93 C CD . LYS A 0 12 . -20.823 9.488 17.978 1.00 64.57 12 A 1 ATOM 94 C CE . LYS A 0 12 . -20.986 10.774 18.796 1.00 64.57 12 A 1 ATOM 95 N NZ . LYS A 0 12 . -20.685 10.563 20.235 1.00 64.57 12 A 1 ATOM 96 N N . PHE A 0 13 . -21.391 6.673 13.011 1.00 69.62 13 A 1 ATOM 97 C CA . PHE A 0 13 . -20.977 5.554 12.161 1.00 69.62 13 A 1 ATOM 98 C C . PHE A 0 13 . -20.705 5.995 10.717 1.00 69.62 13 A 1 ATOM 99 C CB . PHE A 0 13 . -22.044 4.457 12.213 1.00 69.62 13 A 1 ATOM 100 O O . PHE A 0 13 . -19.709 5.592 10.114 1.00 69.62 13 A 1 ATOM 101 C CG . PHE A 0 13 . -21.584 3.170 11.562 1.00 69.62 13 A 1 ATOM 102 C CD1 . PHE A 0 13 . -21.953 2.863 10.238 1.00 69.62 13 A 1 ATOM 103 C CD2 . PHE A 0 13 . -20.757 2.288 12.282 1.00 69.62 13 A 1 ATOM 104 C CE1 . PHE A 0 13 . -21.504 1.670 9.643 1.00 69.62 13 A 1 ATOM 105 C CE2 . PHE A 0 13 . -20.306 1.098 11.685 1.00 69.62 13 A 1 ATOM 106 C CZ . PHE A 0 13 . -20.681 0.788 10.367 1.00 69.62 13 A 1 ATOM 107 N N . ILE A 0 14 . -21.552 6.876 10.178 1.00 71.68 14 A 1 ATOM 108 C CA . ILE A 0 14 . -21.361 7.433 8.836 1.00 71.68 14 A 1 ATOM 109 C C . ILE A 0 14 . -20.089 8.287 8.797 1.00 71.68 14 A 1 ATOM 110 C CB . ILE A 0 14 . -22.620 8.206 8.389 1.00 71.68 14 A 1 ATOM 111 O O . ILE A 0 14 . -19.277 8.111 7.891 1.00 71.68 14 A 1 ATOM 112 C CG1 . ILE A 0 14 . -23.818 7.234 8.256 1.00 71.68 14 A 1 ATOM 113 C CG2 . ILE A 0 14 . -22.376 8.920 7.045 1.00 71.68 14 A 1 ATOM 114 C CD1 . ILE A 0 14 . -25.175 7.944 8.182 1.00 71.68 14 A 1 ATOM 115 N N . GLN A 0 15 . -19.855 9.137 9.801 1.00 68.48 15 A 1 ATOM 116 C CA . GLN A 0 15 . -18.661 9.985 9.856 1.00 68.48 15 A 1 ATOM 117 C C . GLN A 0 15 . -17.357 9.168 9.891 1.00 68.48 15 A 1 ATOM 118 C CB . GLN A 0 15 . -18.787 10.920 11.066 1.00 68.48 15 A 1 ATOM 119 O O . GLN A 0 15 . -16.403 9.501 9.186 1.00 68.48 15 A 1 ATOM 120 C CG . GLN A 0 15 . -17.702 12.007 11.082 1.00 68.48 15 A 1 ATOM 121 C CD . GLN A 0 15 . -17.870 12.980 12.246 1.00 68.48 15 A 1 ATOM 122 N NE2 . GLN A 0 15 . -16.811 13.629 12.677 1.00 68.48 15 A 1 ATOM 123 O OE1 . GLN A 0 15 . -18.937 13.168 12.802 1.00 68.48 15 A 1 ATOM 124 N N . ILE A 0 16 . -17.324 8.062 10.643 1.00 71.91 16 A 1 ATOM 125 C CA . ILE A 0 16 . -16.162 7.160 10.679 1.00 71.91 16 A 1 ATOM 126 C C . ILE A 0 16 . -15.951 6.496 9.310 1.00 71.91 16 A 1 ATOM 127 C CB . ILE A 0 16 . -16.314 6.121 11.814 1.00 71.91 16 A 1 ATOM 128 O O . ILE A 0 16 . -14.822 6.446 8.822 1.00 71.91 16 A 1 ATOM 129 C CG1 . ILE A 0 16 . -16.302 6.820 13.195 1.00 71.91 16 A 1 ATOM 130 C CG2 . ILE A 0 16 . -15.182 5.076 11.762 1.00 71.91 16 A 1 ATOM 131 C CD1 . ILE A 0 16 . -16.855 5.943 14.326 1.00 71.91 16 A 1 ATOM 132 N N . LYS A 0 17 . -17.027 6.045 8.650 1.00 78.62 17 A 1 ATOM 133 C CA . LYS A 0 17 . -16.943 5.421 7.319 1.00 78.62 17 A 1 ATOM 134 C C . LYS A 0 17 . -16.437 6.400 6.256 1.00 78.62 17 A 1 ATOM 135 C CB . LYS A 0 17 . -18.310 4.819 6.955 1.00 78.62 17 A 1 ATOM 136 O O . LYS A 0 17 . -15.605 6.019 5.434 1.00 78.62 17 A 1 ATOM 137 C CG . LYS A 0 17 . -18.226 3.940 5.697 1.00 78.62 17 A 1 ATOM 138 C CD . LYS A 0 17 . -19.562 3.239 5.417 1.00 78.62 17 A 1 ATOM 139 C CE . LYS A 0 17 . -19.426 2.344 4.177 1.00 78.62 17 A 1 ATOM 140 N NZ . LYS A 0 17 . -20.688 1.625 3.862 1.00 78.62 17 A 1 ATOM 141 N N . VAL A 0 18 . -16.896 7.652 6.295 1.00 75.99 18 A 1 ATOM 142 C CA . VAL A 0 18 . -16.429 8.710 5.386 1.00 75.99 18 A 1 ATOM 143 C C . VAL A 0 18 . -14.954 9.021 5.643 1.00 75.99 18 A 1 ATOM 144 C CB . VAL A 0 18 . -17.310 9.971 5.497 1.00 75.99 18 A 1 ATOM 145 O O . VAL A 0 18 . -14.173 9.061 4.694 1.00 75.99 18 A 1 ATOM 146 C CG1 . VAL A 0 18 . -16.772 11.125 4.642 1.00 75.99 18 A 1 ATOM 147 C CG2 . VAL A 0 18 . -18.738 9.687 5.009 1.00 75.99 18 A 1 ATOM 148 N N . SER A 0 19 . -14.543 9.143 6.909 1.00 76.97 19 A 1 ATOM 149 C CA . SER A 0 19 . -13.139 9.385 7.266 1.00 76.97 19 A 1 ATOM 150 C C . SER A 0 19 . -12.217 8.258 6.773 1.00 76.97 19 A 1 ATOM 151 C CB . SER A 0 19 . -13.026 9.577 8.781 1.00 76.97 19 A 1 ATOM 152 O O . SER A 0 19 . -11.188 8.513 6.145 1.00 76.97 19 A 1 ATOM 153 O OG . SER A 0 19 . -11.735 10.044 9.107 1.00 76.97 19 A 1 ATOM 154 N N . PHE A 0 20 . -12.625 6.996 6.946 1.00 78.15 20 A 1 ATOM 155 C CA . PHE A 0 20 . -11.849 5.845 6.477 1.00 78.15 20 A 1 ATOM 156 C C . PHE A 0 20 . -11.767 5.765 4.945 1.00 78.15 20 A 1 ATOM 157 C CB . PHE A 0 20 . -12.442 4.562 7.068 1.00 78.15 20 A 1 ATOM 158 O O . PHE A 0 20 . -10.704 5.477 4.393 1.00 78.15 20 A 1 ATOM 159 C CG . PHE A 0 20 . -11.498 3.381 6.970 1.00 78.15 20 A 1 ATOM 160 C CD1 . PHE A 0 20 . -11.568 2.490 5.881 1.00 78.15 20 A 1 ATOM 161 C CD2 . PHE A 0 20 . -10.525 3.188 7.969 1.00 78.15 20 A 1 ATOM 162 C CE1 . PHE A 0 20 . -10.675 1.407 5.800 1.00 78.15 20 A 1 ATOM 163 C CE2 . PHE A 0 20 . -9.634 2.104 7.888 1.00 78.15 20 A 1 ATOM 164 C CZ . PHE A 0 20 . -9.711 1.212 6.805 1.00 78.15 20 A 1 ATOM 165 N N . PHE A 0 21 . -12.865 6.064 4.244 1.00 82.48 21 A 1 ATOM 166 C CA . PHE A 0 21 . -12.891 6.089 2.782 1.00 82.48 21 A 1 ATOM 167 C C . PHE A 0 21 . -11.947 7.151 2.211 1.00 82.48 21 A 1 ATOM 168 C CB . PHE A 0 21 . -14.328 6.322 2.311 1.00 82.48 21 A 1 ATOM 169 O O . PHE A 0 21 . -11.193 6.861 1.284 1.00 82.48 21 A 1 ATOM 170 C CG . PHE A 0 21 . -14.477 6.362 0.804 1.00 82.48 21 A 1 ATOM 171 C CD1 . PHE A 0 21 . -14.538 7.597 0.131 1.00 82.48 21 A 1 ATOM 172 C CD2 . PHE A 0 21 . -14.568 5.160 0.076 1.00 82.48 21 A 1 ATOM 173 C CE1 . PHE A 0 21 . -14.742 7.630 -1.258 1.00 82.48 21 A 1 ATOM 174 C CE2 . PHE A 0 21 . -14.776 5.194 -1.314 1.00 82.48 21 A 1 ATOM 175 C CZ . PHE A 0 21 . -14.891 6.430 -1.972 1.00 82.48 21 A 1 ATOM 176 N N . VAL A 0 22 . -11.929 8.353 2.796 1.00 78.59 22 A 1 ATOM 177 C CA . VAL A 0 22 . -11.020 9.429 2.378 1.00 78.59 22 A 1 ATOM 178 C C . VAL A 0 22 . -9.562 9.036 2.618 1.00 78.59 22 A 1 ATOM 179 C CB . VAL A 0 22 . -11.384 10.749 3.084 1.00 78.59 22 A 1 ATOM 180 O O . VAL A 0 22 . -8.740 9.194 1.718 1.00 78.59 22 A 1 ATOM 181 C CG1 . VAL A 0 22 . -10.367 11.859 2.799 1.00 78.59 22 A 1 ATOM 182 C CG2 . VAL A 0 22 . -12.751 11.256 2.604 1.00 78.59 22 A 1 ATOM 183 N N . LEU A 0 23 . -9.234 8.446 3.771 1.00 76.49 23 A 1 ATOM 184 C CA . LEU A 0 23 . -7.876 7.958 4.048 1.00 76.49 23 A 1 ATOM 185 C C . LEU A 0 23 . -7.426 6.883 3.047 1.00 76.49 23 A 1 ATOM 186 C CB . LEU A 0 23 . -7.814 7.413 5.484 1.00 76.49 23 A 1 ATOM 187 O O . LEU A 0 23 . -6.294 6.928 2.562 1.00 76.49 23 A 1 ATOM 188 C CG . LEU A 0 23 . -7.835 8.499 6.573 1.00 76.49 23 A 1 ATOM 189 C CD1 . LEU A 0 23 . -8.034 7.837 7.937 1.00 76.49 23 A 1 ATOM 190 C CD2 . LEU A 0 23 . -6.524 9.289 6.611 1.00 76.49 23 A 1 ATOM 191 N N . PHE A 0 24 . -8.305 5.938 2.702 1.00 78.47 24 A 1 ATOM 192 C CA . PHE A 0 24 . -8.018 4.913 1.696 1.00 78.47 24 A 1 ATOM 193 C C . PHE A 0 24 . -7.825 5.526 0.304 1.00 78.47 24 A 1 ATOM 194 C CB . PHE A 0 24 . -9.156 3.886 1.690 1.00 78.47 24 A 1 ATOM 195 O O . PHE A 0 24 . -6.902 5.162 -0.428 1.00 78.47 24 A 1 ATOM 196 C CG . PHE A 0 24 . -8.854 2.669 0.840 1.00 78.47 24 A 1 ATOM 197 C CD1 . PHE A 0 24 . -9.289 2.601 -0.498 1.00 78.47 24 A 1 ATOM 198 C CD2 . PHE A 0 24 . -8.120 1.603 1.391 1.00 78.47 24 A 1 ATOM 199 C CE1 . PHE A 0 24 . -8.996 1.466 -1.276 1.00 78.47 24 A 1 ATOM 200 C CE2 . PHE A 0 24 . -7.825 0.471 0.612 1.00 78.47 24 A 1 ATOM 201 C CZ . PHE A 0 24 . -8.264 0.401 -0.721 1.00 78.47 24 A 1 ATOM 202 N N . TRP A 0 25 . -8.664 6.501 -0.042 1.00 77.22 25 A 1 ATOM 203 C CA . TRP A 0 25 . -8.607 7.191 -1.321 1.00 77.22 25 A 1 ATOM 204 C C . TRP A 0 25 . -7.336 8.027 -1.469 1.00 77.22 25 A 1 ATOM 205 C CB . TRP A 0 25 . -9.859 8.053 -1.473 1.00 77.22 25 A 1 ATOM 206 O O . TRP A 0 25 . -6.705 7.978 -2.523 1.00 77.22 25 A 1 ATOM 207 C CG . TRP A 0 25 . -10.131 8.481 -2.872 1.00 77.22 25 A 1 ATOM 208 C CD1 . TRP A 0 25 . -9.459 9.429 -3.555 1.00 77.22 25 A 1 ATOM 209 C CD2 . TRP A 0 25 . -11.156 7.975 -3.778 1.00 77.22 25 A 1 ATOM 210 C CE2 . TRP A 0 25 . -11.057 8.684 -5.008 1.00 77.22 25 A 1 ATOM 211 C CE3 . TRP A 0 25 . -12.158 6.989 -3.683 1.00 77.22 25 A 1 ATOM 212 N NE1 . TRP A 0 25 . -10.022 9.568 -4.805 1.00 77.22 25 A 1 ATOM 213 C CH2 . TRP A 0 25 . -12.911 7.464 -5.960 1.00 77.22 25 A 1 ATOM 214 C CZ2 . TRP A 0 25 . -11.919 8.449 -6.089 1.00 77.22 25 A 1 ATOM 215 C CZ3 . TRP A 0 25 . -13.019 6.730 -4.767 1.00 77.22 25 A 1 ATOM 216 N N . ILE A 0 26 . -6.922 8.748 -0.422 1.00 74.64 26 A 1 ATOM 217 C CA . ILE A 0 26 . -5.677 9.529 -0.415 1.00 74.64 26 A 1 ATOM 218 C C . ILE A 0 26 . -4.474 8.595 -0.507 1.00 74.64 26 A 1 ATOM 219 C CB . ILE A 0 26 . -5.595 10.451 0.821 1.00 74.64 26 A 1 ATOM 220 O O . ILE A 0 26 . -3.608 8.826 -1.344 1.00 74.64 26 A 1 ATOM 221 C CG1 . ILE A 0 26 . -6.682 11.548 0.743 1.00 74.64 26 A 1 ATOM 222 C CG2 . ILE A 0 26 . -4.205 11.114 0.921 1.00 74.64 26 A 1 ATOM 223 C CD1 . ILE A 0 26 . -6.871 12.309 2.061 1.00 74.64 26 A 1 ATOM 224 N N . LYS A 0 27 . -4.438 7.499 0.267 1.00 68.38 27 A 1 ATOM 225 C CA . LYS A 0 27 . -3.355 6.509 0.154 1.00 68.38 27 A 1 ATOM 226 C C . LYS A 0 27 . -3.266 5.954 -1.262 1.00 68.38 27 A 1 ATOM 227 C CB . LYS A 0 27 . -3.519 5.378 1.176 1.00 68.38 27 A 1 ATOM 228 O O . LYS A 0 27 . -2.178 5.930 -1.816 1.00 68.38 27 A 1 ATOM 229 C CG . LYS A 0 27 . -3.079 5.829 2.575 1.00 68.38 27 A 1 ATOM 230 C CD . LYS A 0 27 . -3.154 4.662 3.567 1.00 68.38 27 A 1 ATOM 231 C CE . LYS A 0 27 . -2.682 5.129 4.949 1.00 68.38 27 A 1 ATOM 232 N NZ . LYS A 0 27 . -2.651 4.012 5.927 1.00 68.38 27 A 1 ATOM 233 N N . LYS A 0 28 . -4.391 5.591 -1.884 1.00 67.86 28 A 1 ATOM 234 C CA . LYS A 0 28 . -4.398 5.077 -3.260 1.00 67.86 28 A 1 ATOM 235 C C . LYS A 0 28 . -3.992 6.146 -4.281 1.00 67.86 28 A 1 ATOM 236 C CB . LYS A 0 28 . -5.766 4.443 -3.555 1.00 67.86 28 A 1 ATOM 237 O O . LYS A 0 28 . -3.166 5.865 -5.138 1.00 67.86 28 A 1 ATOM 238 C CG . LYS A 0 28 . -5.734 3.604 -4.842 1.00 67.86 28 A 1 ATOM 239 C CD . LYS A 0 28 . -7.045 2.829 -5.034 1.00 67.86 28 A 1 ATOM 240 C CE . LYS A 0 28 . -6.945 1.968 -6.302 1.00 67.86 28 A 1 ATOM 241 N NZ . LYS A 0 28 . -8.148 1.121 -6.510 1.00 67.86 28 A 1 ATOM 242 N N . LYS A 0 29 . -4.520 7.371 -4.188 1.00 67.09 29 A 1 ATOM 243 C CA . LYS A 0 29 . -4.198 8.457 -5.131 1.00 67.09 29 A 1 ATOM 244 C C . LYS A 0 29 . -2.790 9.014 -4.974 1.00 67.09 29 A 1 ATOM 245 C CB . LYS A 0 29 . -5.200 9.618 -5.025 1.00 67.09 29 A 1 ATOM 246 O O . LYS A 0 29 . -2.270 9.512 -5.957 1.00 67.09 29 A 1 ATOM 247 C CG . LYS A 0 29 . -6.428 9.412 -5.922 1.00 67.09 29 A 1 ATOM 248 C CD . LYS A 0 29 . -7.165 10.745 -6.127 1.00 67.09 29 A 1 ATOM 249 C CE . LYS A 0 29 . -8.231 10.614 -7.224 1.00 67.09 29 A 1 ATOM 250 N NZ . LYS A 0 29 . -8.905 11.914 -7.496 1.00 67.09 29 A 1 ATOM 251 N N . PHE A 0 30 . -2.205 8.974 -3.781 1.00 65.69 30 A 1 ATOM 252 C CA . PHE A 0 30 . -0.876 9.532 -3.536 1.00 65.69 30 A 1 ATOM 253 C C . PHE A 0 30 . 0.217 8.477 -3.719 1.00 65.69 30 A 1 ATOM 254 C CB . PHE A 0 30 . -0.851 10.183 -2.149 1.00 65.69 30 A 1 ATOM 255 O O . PHE A 0 30 . 1.224 8.751 -4.360 1.00 65.69 30 A 1 ATOM 256 C CG . PHE A 0 30 . 0.297 11.152 -1.956 1.00 65.69 30 A 1 ATOM 257 C CD1 . PHE A 0 30 . 1.391 10.814 -1.139 1.00 65.69 30 A 1 ATOM 258 C CD2 . PHE A 0 30 . 0.261 12.408 -2.593 1.00 65.69 30 A 1 ATOM 259 C CE1 . PHE A 0 30 . 2.438 11.735 -0.954 1.00 65.69 30 A 1 ATOM 260 C CE2 . PHE A 0 30 . 1.320 13.317 -2.425 1.00 65.69 30 A 1 ATOM 261 C CZ . PHE A 0 30 . 2.411 12.978 -1.607 1.00 65.69 30 A 1 ATOM 262 N N . ALA A 0 31 . -0.011 7.244 -3.252 1.00 62.46 31 A 1 ATOM 263 C CA . ALA A 0 31 . 0.944 6.154 -3.426 1.00 62.46 31 A 1 ATOM 264 C C . ALA A 0 31 . 1.113 5.770 -4.901 1.00 62.46 31 A 1 ATOM 265 C CB . ALA A 0 31 . 0.486 4.946 -2.600 1.00 62.46 31 A 1 ATOM 266 O O . ALA A 0 31 . 2.234 5.680 -5.384 1.00 62.46 31 A 1 ATOM 267 N N . VAL A 0 32 . 0.016 5.570 -5.639 1.00 58.59 32 A 1 ATOM 268 C CA . VAL A 0 32 . 0.073 5.051 -7.018 1.00 58.59 32 A 1 ATOM 269 C C . VAL A 0 32 . 0.932 5.910 -7.969 1.00 58.59 32 A 1 ATOM 270 C CB . VAL A 0 32 . -1.344 4.783 -7.561 1.00 58.59 32 A 1 ATOM 271 O O . VAL A 0 32 . 1.784 5.329 -8.637 1.00 58.59 32 A 1 ATOM 272 C CG1 . VAL A 0 32 . -1.353 4.371 -9.036 1.00 58.59 32 A 1 ATOM 273 C CG2 . VAL A 0 32 . -2.004 3.631 -6.782 1.00 58.59 32 A 1 ATOM 274 N N . PRO A 0 33 . 0.809 7.253 -8.033 1.00 53.69 33 A 1 ATOM 275 C CA . PRO A 0 33 . 1.671 8.062 -8.895 1.00 53.69 33 A 1 ATOM 276 C C . PRO A 0 33 . 3.103 8.192 -8.361 1.00 53.69 33 A 1 ATOM 277 C CB . PRO A 0 33 . 0.982 9.421 -9.015 1.00 53.69 33 A 1 ATOM 278 O O . PRO A 0 33 . 4.029 8.214 -9.164 1.00 53.69 33 A 1 ATOM 279 C CG . PRO A 0 33 . 0.209 9.536 -7.709 1.00 53.69 33 A 1 ATOM 280 C CD . PRO A 0 33 . -0.202 8.092 -7.419 1.00 53.69 33 A 1 ATOM 281 N N . LEU A 0 34 . 3.313 8.221 -7.035 1.00 60.06 34 A 1 ATOM 282 C CA . LEU A 0 34 . 4.664 8.248 -6.455 1.00 60.06 34 A 1 ATOM 283 C C . LEU A 0 34 . 5.469 7.000 -6.827 1.00 60.06 34 A 1 ATOM 284 C CB . LEU A 0 34 . 4.581 8.374 -4.923 1.00 60.06 34 A 1 ATOM 285 O O . LEU A 0 34 . 6.647 7.105 -7.152 1.00 60.06 34 A 1 ATOM 286 C CG . LEU A 0 34 . 4.537 9.828 -4.435 1.00 60.06 34 A 1 ATOM 287 C CD1 . LEU A 0 34 . 4.123 9.858 -2.971 1.00 60.06 34 A 1 ATOM 288 C CD2 . LEU A 0 34 . 5.914 10.495 -4.509 1.00 60.06 34 A 1 ATOM 289 N N . TYR A 0 35 . 4.829 5.831 -6.813 1.00 58.60 35 A 1 ATOM 290 C CA . TYR A 0 35 . 5.486 4.575 -7.161 1.00 58.60 35 A 1 ATOM 291 C C . TYR A 0 35 . 5.603 4.344 -8.675 1.00 58.60 35 A 1 ATOM 292 C CB . TYR A 0 35 . 4.778 3.413 -6.457 1.00 58.60 35 A 1 ATOM 293 O O . TYR A 0 35 . 6.477 3.586 -9.072 1.00 58.60 35 A 1 ATOM 294 C CG . TYR A 0 35 . 4.913 3.392 -4.950 1.00 58.60 35 A 1 ATOM 295 C CD1 . TYR A 0 35 . 6.180 3.199 -4.372 1.00 58.60 35 A 1 ATOM 296 C CD2 . TYR A 0 35 . 3.784 3.524 -4.122 1.00 58.60 35 A 1 ATOM 297 C CE1 . TYR A 0 35 . 6.328 3.203 -2.973 1.00 58.60 35 A 1 ATOM 298 C CE2 . TYR A 0 35 . 3.934 3.584 -2.724 1.00 58.60 35 A 1 ATOM 299 O OH . TYR A 0 35 . 5.323 3.422 -0.798 1.00 58.60 35 A 1 ATOM 300 C CZ . TYR A 0 35 . 5.205 3.426 -2.150 1.00 58.60 35 A 1 ATOM 301 N N . CYS A 0 36 . 4.786 4.996 -9.513 1.00 60.63 36 A 1 ATOM 302 C CA . CYS A 0 36 . 4.930 4.928 -10.975 1.00 60.63 36 A 1 ATOM 303 C C . CYS A 0 36 . 5.883 5.952 -11.587 1.00 60.63 36 A 1 ATOM 304 C CB . CYS A 0 36 . 3.568 5.044 -11.663 1.00 60.63 36 A 1 ATOM 305 O O . CYS A 0 36 . 6.223 5.820 -12.758 1.00 60.63 36 A 1 ATOM 306 S SG . CYS A 0 36 . 2.609 3.524 -11.738 1.00 60.63 36 A 1 ATOM 307 N N . ASN A 0 37 . 6.302 6.965 -10.830 1.00 63.17 37 A 1 ATOM 308 C CA . ASN A 0 37 . 7.302 7.920 -11.305 1.00 63.17 37 A 1 ATOM 309 C C . ASN A 0 37 . 8.728 7.334 -11.287 1.00 63.17 37 A 1 ATOM 310 C CB . ASN A 0 37 . 7.182 9.196 -10.458 1.00 63.17 37 A 1 ATOM 311 O O . ASN A 0 37 . 9.617 7.845 -11.955 1.00 63.17 37 A 1 ATOM 312 C CG . ASN A 0 37 . 7.719 10.420 -11.174 1.00 63.17 37 A 1 ATOM 313 N ND2 . ASN A 0 37 . 7.981 11.480 -10.447 1.00 63.17 37 A 1 ATOM 314 O OD1 . ASN A 0 37 . 7.837 10.495 -12.380 1.00 63.17 37 A 1 ATOM 315 N N . ASN A 0 38 . 8.939 6.247 -10.540 1.00 61.11 38 A 1 ATOM 316 C CA . ASN A 0 38 . 10.155 5.447 -10.599 1.00 61.11 38 A 1 ATOM 317 C C . ASN A 0 38 . 9.848 4.202 -11.438 1.00 61.11 38 A 1 ATOM 318 C CB . ASN A 0 38 . 10.605 5.120 -9.163 1.00 61.11 38 A 1 ATOM 319 O O . ASN A 0 38 . 8.940 3.451 -11.091 1.00 61.11 38 A 1 ATOM 320 C CG . ASN A 0 38 . 11.162 6.327 -8.423 1.00 61.11 38 A 1 ATOM 321 N ND2 . ASN A 0 38 . 11.157 6.302 -7.110 1.00 61.11 38 A 1 ATOM 322 O OD1 . ASN A 0 38 . 11.634 7.297 -8.982 1.00 61.11 38 A 1 ATOM 323 N N . GLU A 0 39 . 10.596 3.966 -12.521 1.00 59.45 39 A 1 ATOM 324 C CA . GLU A 0 39 . 10.365 2.867 -13.485 1.00 59.45 39 A 1 ATOM 325 C C . GLU A 0 39 . 10.303 1.462 -12.841 1.00 59.45 39 A 1 ATOM 326 C CB . GLU A 0 39 . 11.457 2.908 -14.571 1.00 59.45 39 A 1 ATOM 327 O O . GLU A 0 39 . 9.786 0.519 -13.438 1.00 59.45 39 A 1 ATOM 328 C CG . GLU A 0 39 . 11.325 4.124 -15.502 1.00 59.45 39 A 1 ATOM 329 C CD . GLU A 0 39 . 12.408 4.118 -16.592 1.00 59.45 39 A 1 ATOM 330 O OE1 . GLU A 0 39 . 12.038 4.090 -17.788 1.00 59.45 39 A 1 ATOM 331 O OE2 . GLU A 0 39 . 13.600 4.139 -16.209 1.00 59.45 39 A 1 ATOM 332 N N . TYR A 0 40 . 10.761 1.330 -11.593 1.00 60.25 40 A 1 ATOM 333 C CA . TYR A 0 40 . 10.614 0.153 -10.743 1.00 60.25 40 A 1 ATOM 334 C C . TYR A 0 40 . 10.267 0.575 -9.306 1.00 60.25 40 A 1 ATOM 335 C CB . TYR A 0 40 . 11.918 -0.663 -10.800 1.00 60.25 40 A 1 ATOM 336 O O . TYR A 0 40 . 11.118 1.074 -8.566 1.00 60.25 40 A 1 ATOM 337 C CG . TYR A 0 40 . 11.765 -2.012 -11.465 1.00 60.25 40 A 1 ATOM 338 C CD1 . TYR A 0 40 . 11.693 -3.174 -10.674 1.00 60.25 40 A 1 ATOM 339 C CD2 . TYR A 0 40 . 11.712 -2.106 -12.868 1.00 60.25 40 A 1 ATOM 340 C CE1 . TYR A 0 40 . 11.578 -4.435 -11.288 1.00 60.25 40 A 1 ATOM 341 C CE2 . TYR A 0 40 . 11.599 -3.366 -13.487 1.00 60.25 40 A 1 ATOM 342 O OH . TYR A 0 40 . 11.440 -5.755 -13.275 1.00 60.25 40 A 1 ATOM 343 C CZ . TYR A 0 40 . 11.539 -4.532 -12.694 1.00 60.25 40 A 1 ATOM 344 N N . GLY A 0 41 . 9.022 0.358 -8.881 1.00 59.11 41 A 1 ATOM 345 C CA . GLY A 0 41 . 8.606 0.556 -7.492 1.00 59.11 41 A 1 ATOM 346 C C . GLY A 0 41 . 8.535 -0.779 -6.754 1.00 59.11 41 A 1 ATOM 347 O O . GLY A 0 41 . 7.638 -1.575 -7.024 1.00 59.11 41 A 1 ATOM 348 N N . ILE A 0 42 . 9.442 -1.036 -5.805 1.00 63.29 42 A 1 ATOM 349 C CA . ILE A 0 42 . 9.291 -2.150 -4.853 1.00 63.29 42 A 1 ATOM 350 C C . ILE A 0 42 . 8.487 -1.633 -3.658 1.00 63.29 42 A 1 ATOM 351 C CB . ILE A 0 42 . 10.645 -2.772 -4.433 1.00 63.29 42 A 1 ATOM 352 O O . ILE A 0 42 . 8.957 -0.791 -2.892 1.00 63.29 42 A 1 ATOM 353 C CG1 . ILE A 0 42 . 11.421 -3.283 -5.670 1.00 63.29 42 A 1 ATOM 354 C CG2 . ILE A 0 42 . 10.404 -3.926 -3.433 1.00 63.29 42 A 1 ATOM 355 C CD1 . ILE A 0 42 . 12.855 -3.735 -5.367 1.00 63.29 42 A 1 ATOM 356 N N . LEU A 0 43 . 7.264 -2.131 -3.495 1.00 63.96 43 A 1 ATOM 357 C CA . LEU A 0 43 . 6.429 -1.860 -2.334 1.00 63.96 43 A 1 ATOM 358 C C . LEU A 0 43 . 6.620 -2.992 -1.316 1.00 63.96 43 A 1 ATOM 359 C CB . LEU A 0 43 . 4.974 -1.657 -2.793 1.00 63.96 43 A 1 ATOM 360 O O . LEU A 0 43 . 6.308 -4.151 -1.581 1.00 63.96 43 A 1 ATOM 361 C CG . LEU A 0 43 . 4.086 -1.045 -1.691 1.00 63.96 43 A 1 ATOM 362 C CD1 . LEU A 0 43 . 3.639 0.349 -2.108 1.00 63.96 43 A 1 ATOM 363 C CD2 . LEU A 0 43 . 2.834 -1.874 -1.421 1.00 63.96 43 A 1 ATOM 364 N N . ILE A 0 44 . 7.143 -2.659 -0.138 1.00 66.44 44 A 1 ATOM 365 C CA . ILE A 0 44 . 7.327 -3.623 0.950 1.00 66.44 44 A 1 ATOM 366 C C . ILE A 0 44 . 6.037 -3.658 1.768 1.00 66.44 44 A 1 ATOM 367 C CB . ILE A 0 44 . 8.574 -3.286 1.800 1.00 66.44 44 A 1 ATOM 368 O O . ILE A 0 44 . 5.732 -2.714 2.501 1.00 66.44 44 A 1 ATOM 369 C CG1 . ILE A 0 44 . 9.834 -3.194 0.904 1.00 66.44 44 A 1 ATOM 370 C CG2 . ILE A 0 44 . 8.748 -4.347 2.907 1.00 66.44 44 A 1 ATOM 371 C CD1 . ILE A 0 44 . 11.116 -2.804 1.647 1.00 66.44 44 A 1 ATOM 372 N N . LEU A 0 45 . 5.273 -4.744 1.652 1.00 64.85 45 A 1 ATOM 373 C CA . LEU A 0 45 . 4.107 -4.974 2.499 1.00 64.85 45 A 1 ATOM 374 C C . LEU A 0 45 . 4.537 -5.781 3.724 1.00 64.85 45 A 1 ATOM 375 C CB . LEU A 0 45 . 2.984 -5.643 1.691 1.00 64.85 45 A 1 ATOM 376 O O . LEU A 0 45 . 4.859 -6.965 3.629 1.00 64.85 45 A 1 ATOM 377 C CG . LEU A 0 45 . 1.658 -5.782 2.462 1.00 64.85 45 A 1 ATOM 378 C CD1 . LEU A 0 45 . 0.960 -4.427 2.638 1.00 64.85 45 A 1 ATOM 379 C CD2 . LEU A 0 45 . 0.704 -6.704 1.707 1.00 64.85 45 A 1 ATOM 380 N N . ALA A 0 46 . 4.537 -5.134 4.885 1.00 65.18 46 A 1 ATOM 381 C CA . ALA A 0 46 . 4.716 -5.807 6.163 1.00 65.18 46 A 1 ATOM 382 C C . ALA A 0 46 . 3.356 -6.321 6.658 1.00 65.18 46 A 1 ATOM 383 C CB . ALA A 0 46 . 5.386 -4.835 7.142 1.00 65.18 46 A 1 ATOM 384 O O . ALA A 0 46 . 2.509 -5.530 7.078 1.00 65.18 46 A 1 ATOM 385 N N . LEU A 0 47 . 3.144 -7.636 6.614 1.00 71.10 47 A 1 ATOM 386 C CA . LEU A 0 47 . 1.970 -8.288 7.192 1.00 71.10 47 A 1 ATOM 387 C C . LEU A 0 47 . 2.440 -9.247 8.292 1.00 71.10 47 A 1 ATOM 388 C CB . LEU A 0 47 . 1.167 -9.002 6.084 1.00 71.10 47 A 1 ATOM 389 O O . LEU A 0 47 . 3.191 -10.173 8.017 1.00 71.10 47 A 1 ATOM 390 C CG . LEU A 0 47 . -0.247 -9.421 6.532 1.00 71.10 47 A 1 ATOM 391 C CD1 . LEU A 0 47 . -1.213 -8.231 6.517 1.00 71.10 47 A 1 ATOM 392 C CD2 . LEU A 0 47 . -0.813 -10.497 5.608 1.00 71.10 47 A 1 ATOM 393 N N . HIS A 0 48 . 2.015 -9.014 9.536 1.00 62.69 48 A 1 ATOM 394 C CA . HIS A 0 48 . 2.120 -9.966 10.654 1.00 62.69 48 A 1 ATOM 395 C C . HIS A 0 48 . 3.486 -10.693 10.794 1.00 62.69 48 A 1 ATOM 396 C CB . HIS A 0 48 . 0.907 -10.907 10.582 1.00 62.69 48 A 1 ATOM 397 O O . HIS A 0 48 . 3.560 -11.918 10.792 1.00 62.69 48 A 1 ATOM 398 C CG . HIS A 0 48 . 0.609 -11.579 11.893 1.00 62.69 48 A 1 ATOM 399 C CD2 . HIS A 0 48 . -0.201 -11.107 12.890 1.00 62.69 48 A 1 ATOM 400 N ND1 . HIS A 0 48 . 1.132 -12.773 12.324 1.00 62.69 48 A 1 ATOM 401 C CE1 . HIS A 0 48 . 0.642 -13.024 13.549 1.00 62.69 48 A 1 ATOM 402 N NE2 . HIS A 0 48 . -0.174 -12.030 13.938 1.00 62.69 48 A 1 ATOM 403 N N . SER A 0 49 . 4.572 -9.916 10.914 1.00 67.59 49 A 1 ATOM 404 C CA . SER A 0 49 . 5.985 -10.357 11.008 1.00 67.59 49 A 1 ATOM 405 C C . SER A 0 49 . 6.645 -10.840 9.710 1.00 67.59 49 A 1 ATOM 406 C CB . SER A 0 49 . 6.207 -11.372 12.140 1.00 67.59 49 A 1 ATOM 407 O O . SER A 0 49 . 7.854 -11.060 9.693 1.00 67.59 49 A 1 ATOM 408 O OG . SER A 0 49 . 5.665 -10.880 13.352 1.00 67.59 49 A 1 ATOM 409 N N . THR A 0 50 . 5.905 -10.923 8.605 1.00 67.52 50 A 1 ATOM 410 C CA . THR A 0 50 . 6.431 -11.290 7.279 1.00 67.52 50 A 1 ATOM 411 C C . THR A 0 50 . 6.521 -10.075 6.351 1.00 67.52 50 A 1 ATOM 412 C CB . THR A 0 50 . 5.636 -12.447 6.655 1.00 67.52 50 A 1 ATOM 413 O O . THR A 0 50 . 5.610 -9.244 6.298 1.00 67.52 50 A 1 ATOM 414 C CG2 . THR A 0 50 . 5.910 -13.762 7.384 1.00 67.52 50 A 1 ATOM 415 O OG1 . THR A 0 50 . 4.244 -12.253 6.720 1.00 67.52 50 A 1 ATOM 416 N N . ARG A 0 51 . 7.653 -9.931 5.648 1.00 67.70 51 A 1 ATOM 417 C CA . ARG A 0 51 . 7.915 -8.837 4.697 1.00 67.70 51 A 1 ATOM 418 C C . ARG A 0 51 . 7.758 -9.362 3.276 1.00 67.70 51 A 1 ATOM 419 C CB . ARG A 0 51 . 9.335 -8.271 4.890 1.00 67.70 51 A 1 ATOM 420 O O . ARG A 0 51 . 8.625 -10.096 2.818 1.00 67.70 51 A 1 ATOM 421 C CG . ARG A 0 51 . 9.558 -7.587 6.243 1.00 67.70 51 A 1 ATOM 422 C CD . ARG A 0 51 . 10.997 -7.061 6.309 1.00 67.70 51 A 1 ATOM 423 N NE . ARG A 0 51 . 11.289 -6.426 7.609 1.00 67.70 51 A 1 ATOM 424 N NH1 . ARG A 0 51 . 13.505 -5.979 7.206 1.00 67.70 51 A 1 ATOM 425 N NH2 . ARG A 0 51 . 12.608 -5.422 9.172 1.00 67.70 51 A 1 ATOM 426 C CZ . ARG A 0 51 . 12.461 -5.946 7.986 1.00 67.70 51 A 1 ATOM 427 N N . TYR A 0 52 . 6.695 -8.971 2.584 1.00 69.44 52 A 1 ATOM 428 C CA . TYR A 0 52 . 6.452 -9.380 1.201 1.00 69.44 52 A 1 ATOM 429 C C . TYR A 0 52 . 6.863 -8.291 0.218 1.00 69.44 52 A 1 ATOM 430 C CB . TYR A 0 52 . 4.984 -9.761 1.010 1.00 69.44 52 A 1 ATOM 431 O O . TYR A 0 52 . 6.586 -7.107 0.436 1.00 69.44 52 A 1 ATOM 432 C CG . TYR A 0 52 . 4.571 -10.955 1.839 1.00 69.44 52 A 1 ATOM 433 C CD1 . TYR A 0 52 . 4.935 -12.251 1.424 1.00 69.44 52 A 1 ATOM 434 C CD2 . TYR A 0 52 . 3.843 -10.768 3.029 1.00 69.44 52 A 1 ATOM 435 C CE1 . TYR A 0 52 . 4.566 -13.368 2.197 1.00 69.44 52 A 1 ATOM 436 C CE2 . TYR A 0 52 . 3.451 -11.886 3.786 1.00 69.44 52 A 1 ATOM 437 O OH . TYR A 0 52 . 3.448 -14.257 4.125 1.00 69.44 52 A 1 ATOM 438 C CZ . TYR A 0 52 . 3.819 -13.185 3.380 1.00 69.44 52 A 1 ATOM 439 N N . CYS A 0 53 . 7.492 -8.713 -0.877 1.00 68.18 53 A 1 ATOM 440 C CA . CYS A 0 53 . 7.890 -7.837 -1.969 1.00 68.18 53 A 1 ATOM 441 C C . CYS A 0 53 . 6.796 -7.786 -3.034 1.00 68.18 53 A 1 ATOM 442 C CB . CYS A 0 53 . 9.249 -8.308 -2.508 1.00 68.18 53 A 1 ATOM 443 O O . CYS A 0 53 . 6.547 -8.754 -3.755 1.00 68.18 53 A 1 ATOM 444 S SG . CYS A 0 53 . 10.677 -7.530 -1.708 1.00 68.18 53 A 1 ATOM 445 N N . LEU A 0 54 . 6.153 -6.629 -3.152 1.00 68.14 54 A 1 ATOM 446 C CA . LEU A 0 54 . 5.322 -6.297 -4.302 1.00 68.14 54 A 1 ATOM 447 C C . LEU A 0 54 . 6.191 -5.527 -5.289 1.00 68.14 54 A 1 ATOM 448 C CB . LEU A 0 54 . 4.123 -5.470 -3.828 1.00 68.14 54 A 1 ATOM 449 O O . LEU A 0 54 . 6.653 -4.428 -4.981 1.00 68.14 54 A 1 ATOM 450 C CG . LEU A 0 54 . 3.072 -6.300 -3.075 1.00 68.14 54 A 1 ATOM 451 C CD1 . LEU A 0 54 . 2.499 -5.500 -1.912 1.00 68.14 54 A 1 ATOM 452 C CD2 . LEU A 0 54 . 1.922 -6.667 -4.010 1.00 68.14 54 A 1 ATOM 453 N N . SER A 0 55 . 6.416 -6.091 -6.470 1.00 69.20 55 A 1 ATOM 454 C CA . SER A 0 55 . 6.993 -5.340 -7.575 1.00 69.20 55 A 1 ATOM 455 C C . SER A 0 55 . 5.858 -4.699 -8.363 1.00 69.20 55 A 1 ATOM 456 C CB . SER A 0 55 . 7.909 -6.210 -8.440 1.00 69.20 55 A 1 ATOM 457 O O . SER A 0 55 . 4.908 -5.354 -8.798 1.00 69.20 55 A 1 ATOM 458 O OG . SER A 0 55 . 7.269 -7.397 -8.861 1.00 69.20 55 A 1 ATOM 459 N N . MET A 0 56 . 5.930 -3.383 -8.515 1.00 65.56 56 A 1 ATOM 460 C CA . MET A 0 56 . 5.040 -2.649 -9.395 1.00 65.56 56 A 1 ATOM 461 C C . MET A 0 56 . 5.845 -2.181 -10.598 1.00 65.56 56 A 1 ATOM 462 C CB . MET A 0 56 . 4.358 -1.519 -8.622 1.00 65.56 56 A 1 ATOM 463 O O . MET A 0 56 . 6.839 -1.468 -10.453 1.00 65.56 56 A 1 ATOM 464 C CG . MET A 0 56 . 3.129 -1.016 -9.381 1.00 65.56 56 A 1 ATOM 465 S SD . MET A 0 56 . 2.023 -0.006 -8.360 1.00 65.56 56 A 1 ATOM 466 C CE . MET A 0 56 . 2.940 1.540 -8.444 1.00 65.56 56 A 1 ATOM 467 N N . SER A 0 57 . 5.414 -2.607 -11.779 1.00 65.58 57 A 1 ATOM 468 C CA . SER A 0 57 . 5.969 -2.165 -13.051 1.00 65.58 57 A 1 ATOM 469 C C . SER A 0 57 . 4.980 -1.199 -13.684 1.00 65.58 57 A 1 ATOM 470 C CB . SER A 0 57 . 6.251 -3.355 -13.971 1.00 65.58 57 A 1 ATOM 471 O O . SER A 0 57 . 3.818 -1.548 -13.911 1.00 65.58 57 A 1 ATOM 472 O OG . SER A 0 57 . 7.177 -4.238 -13.365 1.00 65.58 57 A 1 ATOM 473 N N . CYS A 0 58 . 5.433 0.021 -13.956 1.00 63.45 58 A 1 ATOM 474 C CA . CYS A 0 58 . 4.634 1.024 -14.645 1.00 63.45 58 A 1 ATOM 475 C C . CYS A 0 58 . 5.177 1.175 -16.064 1.00 63.45 58 A 1 ATOM 476 C CB . CYS A 0 58 . 4.595 2.321 -13.829 1.00 63.45 58 A 1 ATOM 477 O O . CYS A 0 58 . 6.341 1.504 -16.259 1.00 63.45 58 A 1 ATOM 478 S SG . CYS A 0 58 . 3.964 2.047 -12.146 1.00 63.45 58 A 1 ATOM 479 N N . SER A 0 59 . 4.336 0.898 -17.057 1.00 66.06 59 A 1 ATOM 480 C CA . SER A 0 59 . 4.656 1.100 -18.470 1.00 66.06 59 A 1 ATOM 481 C C . SER A 0 59 . 3.640 2.074 -19.032 1.00 66.06 59 A 1 ATOM 482 C CB . SER A 0 59 . 4.623 -0.231 -19.227 1.00 66.06 59 A 1 ATOM 483 O O . SER A 0 59 . 2.479 1.698 -19.137 1.00 66.06 59 A 1 ATOM 484 O OG . SER A 0 59 . 4.873 -0.019 -20.603 1.00 66.06 59 A 1 ATOM 485 N N . SER A 0 60 . 4.086 3.305 -19.309 1.00 60.09 60 A 1 ATOM 486 C CA . SER A 0 60 . 3.486 4.470 -20.005 1.00 60.09 60 A 1 ATOM 487 C C . SER A 0 60 . 1.995 4.815 -19.814 1.00 60.09 60 A 1 ATOM 488 C CB . SER A 0 60 . 3.819 4.455 -21.506 1.00 60.09 60 A 1 ATOM 489 O O . SER A 0 60 . 1.668 5.990 -19.838 1.00 60.09 60 A 1 ATOM 490 O OG . SER A 0 60 . 4.998 3.722 -21.790 1.00 60.09 60 A 1 ATOM 491 N N . ASN A 0 61 . 1.092 3.851 -19.637 1.00 58.91 61 A 1 ATOM 492 C CA . ASN A 0 61 . -0.346 3.987 -19.381 1.00 58.91 61 A 1 ATOM 493 C C . ASN A 0 61 . -0.946 2.818 -18.558 1.00 58.91 61 A 1 ATOM 494 C CB . ASN A 0 61 . -1.051 4.113 -20.743 1.00 58.91 61 A 1 ATOM 495 O O . ASN A 0 61 . -2.157 2.769 -18.344 1.00 58.91 61 A 1 ATOM 496 C CG . ASN A 0 61 . -0.922 5.507 -21.323 1.00 58.91 61 A 1 ATOM 497 N ND2 . ASN A 0 61 . -0.711 5.631 -22.612 1.00 58.91 61 A 1 ATOM 498 O OD1 . ASN A 0 61 . -1.065 6.507 -20.648 1.00 58.91 61 A 1 ATOM 499 N N . LEU A 0 62 . -0.132 1.860 -18.103 1.00 62.67 62 A 1 ATOM 500 C CA . LEU A 0 62 . -0.564 0.661 -17.388 1.00 62.67 62 A 1 ATOM 501 C C . LEU A 0 62 . 0.297 0.447 -16.144 1.00 62.67 62 A 1 ATOM 502 C CB . LEU A 0 62 . -0.492 -0.553 -18.333 1.00 62.67 62 A 1 ATOM 503 O O . LEU A 0 62 . 1.525 0.405 -16.206 1.00 62.67 62 A 1 ATOM 504 C CG . LEU A 0 62 . -1.583 -0.561 -19.421 1.00 62.67 62 A 1 ATOM 505 C CD1 . LEU A 0 62 . -1.201 -1.531 -20.536 1.00 62.67 62 A 1 ATOM 506 C CD2 . LEU A 0 62 . -2.942 -0.986 -18.857 1.00 62.67 62 A 1 ATOM 507 N N . VAL A 0 63 . -0.377 0.283 -15.008 1.00 62.90 63 A 1 ATOM 508 C CA . VAL A 0 63 . 0.238 -0.132 -13.748 1.00 62.90 63 A 1 ATOM 509 C C . VAL A 0 63 . -0.007 -1.624 -13.603 1.00 62.90 63 A 1 ATOM 510 C CB . VAL A 0 63 . -0.335 0.654 -12.556 1.00 62.90 63 A 1 ATOM 511 O O . VAL A 0 63 . -1.143 -2.042 -13.380 1.00 62.90 63 A 1 ATOM 512 C CG1 . VAL A 0 63 . 0.426 0.309 -11.275 1.00 62.90 63 A 1 ATOM 513 C CG2 . VAL A 0 63 . -0.255 2.163 -12.811 1.00 62.90 63 A 1 ATOM 514 N N . SER A 0 64 . 1.043 -2.426 -13.749 1.00 62.05 64 A 1 ATOM 515 C CA . SER A 0 64 . 0.984 -3.856 -13.469 1.00 62.05 64 A 1 ATOM 516 C C . SER A 0 64 . 1.573 -4.109 -12.089 1.00 62.05 64 A 1 ATOM 517 C CB . SER A 0 64 . 1.701 -4.662 -14.547 1.00 62.05 64 A 1 ATOM 518 O O . SER A 0 64 . 2.737 -3.803 -11.823 1.00 62.05 64 A 1 ATOM 519 O OG . SER A 0 64 . 1.435 -6.033 -14.323 1.00 62.05 64 A 1 ATOM 520 N N . MET A 0 65 . 0.750 -4.640 -11.189 1.00 62.77 65 A 1 ATOM 521 C CA . MET A 0 65 . 1.188 -5.071 -9.868 1.00 62.77 65 A 1 ATOM 522 C C . MET A 0 65 . 1.459 -6.570 -9.921 1.00 62.77 65 A 1 ATOM 523 C CB . MET A 0 65 . 0.129 -4.691 -8.827 1.00 62.77 65 A 1 ATOM 524 O O . MET A 0 65 . 0.536 -7.357 -10.124 1.00 62.77 65 A 1 ATOM 525 C CG . MET A 0 65 . 0.580 -5.025 -7.401 1.00 62.77 65 A 1 ATOM 526 S SD . MET A 0 65 . -0.574 -4.481 -6.107 1.00 62.77 65 A 1 ATOM 527 C CE . MET A 0 65 . -0.382 -2.683 -6.243 1.00 62.77 65 A 1 ATOM 528 N N . SER A 0 66 . 2.715 -6.961 -9.724 1.00 62.75 66 A 1 ATOM 529 C CA . SER A 0 66 . 3.109 -8.360 -9.595 1.00 62.75 66 A 1 ATOM 530 C C . SER A 0 66 . 3.380 -8.671 -8.127 1.00 62.75 66 A 1 ATOM 531 C CB . SER A 0 66 . 4.313 -8.665 -10.484 1.00 62.75 66 A 1 ATOM 532 O O . SER A 0 66 . 4.247 -8.083 -7.480 1.00 62.75 66 A 1 ATOM 533 O OG . SER A 0 66 . 3.911 -8.592 -11.838 1.00 62.75 66 A 1 ATOM 534 N N . PHE A 0 67 . 2.603 -9.599 -7.574 1.00 61.63 67 A 1 ATOM 535 C CA . PHE A 0 67 . 2.846 -10.120 -6.236 1.00 61.63 67 A 1 ATOM 536 C C . PHE A 0 67 . 3.901 -11.218 -6.324 1.00 61.63 67 A 1 ATOM 537 C CB . PHE A 0 67 . 1.536 -10.620 -5.620 1.00 61.63 67 A 1 ATOM 538 O O . PHE A 0 67 . 3.663 -12.263 -6.930 1.00 61.63 67 A 1 ATOM 539 C CG . PHE A 0 67 . 1.698 -11.176 -4.217 1.00 61.63 67 A 1 ATOM 540 C CD1 . PHE A 0 67 . 1.631 -12.562 -3.987 1.00 61.63 67 A 1 ATOM 541 C CD2 . PHE A 0 67 . 1.912 -10.305 -3.134 1.00 61.63 67 A 1 ATOM 542 C CE1 . PHE A 0 67 . 1.744 -13.062 -2.677 1.00 61.63 67 A 1 ATOM 543 C CE2 . PHE A 0 67 . 2.046 -10.806 -1.827 1.00 61.63 67 A 1 ATOM 544 C CZ . PHE A 0 67 . 1.958 -12.188 -1.598 1.00 61.63 67 A 1 ATOM 545 N N . THR A 0 68 . 5.062 -10.990 -5.713 1.00 64.13 68 A 1 ATOM 546 C CA . THR A 0 68 . 6.059 -12.043 -5.527 1.00 64.13 68 A 1 ATOM 547 C C . THR A 0 68 . 6.077 -12.447 -4.064 1.00 64.13 68 A 1 ATOM 548 C CB . THR A 0 68 . 7.448 -11.657 -6.051 1.00 64.13 68 A 1 ATOM 549 O O . THR A 0 68 . 6.216 -11.613 -3.175 1.00 64.13 68 A 1 ATOM 550 C CG2 . THR A 0 68 . 7.409 -11.330 -7.545 1.00 64.13 68 A 1 ATOM 551 O OG1 . THR A 0 68 . 8.012 -10.557 -5.374 1.00 64.13 68 A 1 ATOM 552 N N . THR A 0 69 . 5.954 -13.741 -3.793 1.00 61.69 69 A 1 ATOM 553 C CA . THR A 0 69 . 5.980 -14.298 -2.432 1.00 61.69 69 A 1 ATOM 554 C C . THR A 0 69 . 7.375 -14.297 -1.801 1.00 61.69 69 A 1 ATOM 555 C CB . THR A 0 69 . 5.423 -15.729 -2.438 1.00 61.69 69 A 1 ATOM 556 O O . THR A 0 69 . 7.541 -14.845 -0.715 1.00 61.69 69 A 1 ATOM 557 C CG2 . THR A 0 69 . 3.915 -15.745 -2.663 1.00 61.69 69 A 1 ATOM 558 O OG1 . THR A 0 69 . 6.018 -16.463 -3.485 1.00 61.69 69 A 1 ATOM 559 N N . ARG A 0 70 . 8.381 -13.700 -2.457 1.00 63.85 70 A 1 ATOM 560 C CA . ARG A 0 70 . 9.747 -13.609 -1.933 1.00 63.85 70 A 1 ATOM 561 C C . ARG A 0 70 . 9.772 -12.694 -0.712 1.00 63.85 70 A 1 ATOM 562 C CB . ARG A 0 70 . 10.730 -13.133 -3.017 1.00 63.85 70 A 1 ATOM 563 O O . ARG A 0 70 . 9.181 -11.606 -0.741 1.00 63.85 70 A 1 ATOM 564 C CG . ARG A 0 70 . 10.883 -14.168 -4.142 1.00 63.85 70 A 1 ATOM 565 C CD . ARG A 0 70 . 11.986 -13.752 -5.122 1.00 63.85 70 A 1 ATOM 566 N NE . ARG A 0 70 . 12.167 -14.754 -6.192 1.00 63.85 70 A 1 ATOM 567 N NH1 . ARG A 0 70 . 13.976 -13.772 -7.208 1.00 63.85 70 A 1 ATOM 568 N NH2 . ARG A 0 70 . 13.173 -15.692 -8.009 1.00 63.85 70 A 1 ATOM 569 C CZ . ARG A 0 70 . 13.100 -14.733 -7.128 1.00 63.85 70 A 1 ATOM 570 N N . LEU A 0 71 . 10.462 -13.126 0.344 1.00 67.20 71 A 1 ATOM 571 C CA . LEU A 0 71 . 10.709 -12.270 1.494 1.00 67.20 71 A 1 ATOM 572 C C . LEU A 0 71 . 11.630 -11.127 1.055 1.00 67.20 71 A 1 ATOM 573 C CB . LEU A 0 71 . 11.301 -13.076 2.666 1.00 67.20 71 A 1 ATOM 574 O O . LEU A 0 71 . 12.703 -11.357 0.498 1.00 67.20 71 A 1 ATOM 575 C CG . LEU A 0 71 . 10.332 -14.095 3.298 1.00 67.20 71 A 1 ATOM 576 C CD1 . LEU A 0 71 . 11.087 -15.027 4.244 1.00 67.20 71 A 1 ATOM 577 C CD2 . LEU A 0 71 . 9.234 -13.397 4.115 1.00 67.20 71 A 1 ATOM 578 N N . CYS A 0 72 . 11.219 -9.880 1.288 1.00 63.61 72 A 1 ATOM 579 C CA . CYS A 0 72 . 12.102 -8.744 1.028 1.00 63.61 72 A 1 ATOM 580 C C . CYS A 0 72 . 13.318 -8.820 1.957 1.00 63.61 72 A 1 ATOM 581 C CB . CYS A 0 72 . 11.385 -7.411 1.246 1.00 63.61 72 A 1 ATOM 582 O O . CYS A 0 72 . 13.170 -8.630 3.168 1.00 63.61 72 A 1 ATOM 583 S SG . CYS A 0 72 . 10.020 -7.024 0.145 1.00 63.61 72 A 1 ATOM 584 N N . GLY A 0 73 . 14.499 -9.071 1.389 1.00 64.27 73 A 1 ATOM 585 C CA . GLY A 0 73 . 15.741 -9.297 2.135 1.00 64.27 73 A 1 ATOM 586 C C . GLY A 0 73 . 16.331 -10.703 1.985 1.00 64.27 73 A 1 ATOM 587 O O . GLY A 0 73 . 17.397 -10.942 2.535 1.00 64.27 73 A 1 ATOM 588 N N . GLU A 0 74 . 15.692 -11.608 1.234 1.00 58.34 74 A 1 ATOM 589 C CA . GLU A 0 74 . 16.378 -12.771 0.649 1.00 58.34 74 A 1 ATOM 590 C C . GLU A 0 74 . 17.134 -12.329 -0.618 1.00 58.34 74 A 1 ATOM 591 C CB . GLU A 0 74 . 15.389 -13.917 0.347 1.00 58.34 74 A 1 ATOM 592 O O . GLU A 0 74 . 16.625 -12.438 -1.737 1.00 58.34 74 A 1 ATOM 593 C CG . GLU A 0 74 . 15.085 -14.813 1.553 1.00 58.34 74 A 1 ATOM 594 C CD . GLU A 0 74 . 14.130 -15.945 1.139 1.00 58.34 74 A 1 ATOM 595 O OE1 . GLU A 0 74 . 14.622 -17.047 0.806 1.00 58.34 74 A 1 ATOM 596 O OE2 . GLU A 0 74 . 12.901 -15.689 1.127 1.00 58.34 74 A 1 ATOM 597 N N . SER A 0 75 . 18.329 -11.765 -0.430 1.00 47.51 75 A 1 ATOM 598 C CA . SER A 0 75 . 19.389 -11.634 -1.439 1.00 47.51 75 A 1 ATOM 599 C C . SER A 0 75 . 20.749 -11.650 -0.763 1.00 47.51 75 A 1 ATOM 600 C CB . SER A 0 75 . 19.265 -10.354 -2.259 1.00 47.51 75 A 1 ATOM 601 O O . SER A 0 75 . 20.826 -11.227 0.410 1.00 47.51 75 A 1 ATOM 602 O OG . SER A 0 75 . 20.327 -10.362 -3.193 1.00 47.51 75 A 1 ATOM 603 O OXT . SER A 0 75 . 21.682 -12.017 -1.504 1.00 47.51 75 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 65.22 # loop_ _atom_type.symbol C N O S #