data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 ALA 0 3 ARG 0 4 CYS 0 5 GLY 0 6 GLN 0 7 SER 0 8 VAL 0 9 TRP 0 10 TYR 0 11 ILE 0 12 TYR 0 13 SER 0 14 VAL 0 15 CYS 0 16 LEU 0 17 ARG 0 18 ILE 0 19 MET 0 20 ILE 0 21 HIS 0 22 ILE 0 23 ALA 0 24 GLU 0 25 ALA 0 26 VAL 0 27 ILE 0 28 GLY 0 29 VAL 0 30 LEU 0 31 ASP 0 32 LEU 0 33 ASN 0 34 GLY 0 35 TYR 0 36 ALA 0 37 ARG 0 38 GLN 0 39 ILE 0 40 ALA 0 41 GLY 0 42 PRO 0 43 THR 0 44 SER 0 45 ALA 0 46 LEU 0 47 ASP 0 48 CYS 0 49 SER 0 50 TYR 0 51 GLY 0 52 PHE 0 53 ARG 0 54 VAL 0 55 ILE 0 56 GLY 0 57 PRO 0 58 ILE 0 59 ASP 0 60 ASN 0 61 PHE 0 62 LEU 0 63 LEU 0 64 SER 0 65 ASP 0 66 TRP 0 67 ARG 0 68 GLY 0 69 SER 0 70 ALA 0 71 ARG 0 72 SER 0 73 TYR 0 74 ILE 0 75 LYS 0 76 GLN 0 77 GLY 0 78 THR 0 79 HIS 0 80 ALA 0 81 SER 0 82 ILE 0 83 ARG 0 84 TYR 0 85 ASN 0 86 ILE 0 87 PHE 0 88 ILE 0 89 ASN 0 90 ASN 0 91 PHE 0 92 LEU 0 93 THR 0 94 ILE 0 95 ILE 0 96 PHE 0 97 GLY 0 98 LYS 0 99 VAL 0 100 ARG 0 101 PHE 0 102 GLU 0 103 LYS 0 104 GLN 0 105 SER 0 106 VAL 0 107 THR 0 108 LYS 0 109 LEU 0 110 PHE 0 111 PHE 0 112 LEU 0 113 GLN 0 114 LYS 0 115 SER 0 116 VAL 0 117 SER 0 118 LYS 0 119 ILE 0 120 GLU 0 121 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 . 26.919 7.004 -20.954 1.00 38.32 1 A 1 ATOM 2 C CA . MET A 0 1 . 25.551 7.430 -20.580 1.00 38.32 1 A 1 ATOM 3 C C . MET A 0 1 . 24.609 6.230 -20.667 1.00 38.32 1 A 1 ATOM 4 C CB . MET A 0 1 . 25.067 8.522 -21.552 1.00 38.32 1 A 1 ATOM 5 O O . MET A 0 1 . 24.160 5.935 -21.758 1.00 38.32 1 A 1 ATOM 6 C CG . MET A 0 1 . 25.726 9.888 -21.357 1.00 38.32 1 A 1 ATOM 7 S SD . MET A 0 1 . 25.442 10.950 -22.791 1.00 38.32 1 A 1 ATOM 8 C CE . MET A 0 1 . 25.707 12.594 -22.075 1.00 38.32 1 A 1 ATOM 9 N N . ALA A 0 2 . 24.363 5.481 -19.583 1.00 52.38 2 A 1 ATOM 10 C CA . ALA A 0 2 . 23.366 4.387 -19.594 1.00 52.38 2 A 1 ATOM 11 C C . ALA A 0 2 . 22.960 3.899 -18.184 1.00 52.38 2 A 1 ATOM 12 C CB . ALA A 0 2 . 23.873 3.203 -20.442 1.00 52.38 2 A 1 ATOM 13 O O . ALA A 0 2 . 22.660 2.726 -18.001 1.00 52.38 2 A 1 ATOM 14 N N . ARG A 0 3 . 22.996 4.757 -17.152 1.00 52.84 3 A 1 ATOM 15 C CA . ARG A 0 3 . 22.654 4.339 -15.773 1.00 52.84 3 A 1 ATOM 16 C C . ARG A 0 3 . 21.440 5.043 -15.160 1.00 52.84 3 A 1 ATOM 17 C CB . ARG A 0 3 . 23.896 4.351 -14.862 1.00 52.84 3 A 1 ATOM 18 O O . ARG A 0 3 . 21.012 4.652 -14.082 1.00 52.84 3 A 1 ATOM 19 C CG . ARG A 0 3 . 24.895 3.241 -15.242 1.00 52.84 3 A 1 ATOM 20 C CD . ARG A 0 3 . 25.999 3.104 -14.184 1.00 52.84 3 A 1 ATOM 21 N NE . ARG A 0 3 . 26.933 2.004 -14.499 1.00 52.84 3 A 1 ATOM 22 N NH1 . ARG A 0 3 . 28.220 2.143 -12.596 1.00 52.84 3 A 1 ATOM 23 N NH2 . ARG A 0 3 . 28.700 0.605 -14.134 1.00 52.84 3 A 1 ATOM 24 C CZ . ARG A 0 3 . 27.941 1.591 -13.745 1.00 52.84 3 A 1 ATOM 25 N N . CYS A 0 4 . 20.820 5.998 -15.856 1.00 55.84 4 A 1 ATOM 26 C CA . CYS A 0 4 . 19.658 6.722 -15.319 1.00 55.84 4 A 1 ATOM 27 C C . CYS A 0 4 . 18.369 5.884 -15.259 1.00 55.84 4 A 1 ATOM 28 C CB . CYS A 0 4 . 19.438 8.018 -16.111 1.00 55.84 4 A 1 ATOM 29 O O . CYS A 0 4 . 17.445 6.256 -14.547 1.00 55.84 4 A 1 ATOM 30 S SG . CYS A 0 4 . 20.873 9.109 -15.896 1.00 55.84 4 A 1 ATOM 31 N N . GLY A 0 5 . 18.290 4.755 -15.972 1.00 54.13 5 A 1 ATOM 32 C CA . GLY A 0 5 . 17.091 3.914 -15.947 1.00 54.13 5 A 1 ATOM 33 C C . GLY A 0 5 . 16.943 3.125 -14.648 1.00 54.13 5 A 1 ATOM 34 O O . GLY A 0 5 . 15.860 3.078 -14.081 1.00 54.13 5 A 1 ATOM 35 N N . GLN A 0 6 . 18.027 2.517 -14.155 1.00 54.72 6 A 1 ATOM 36 C CA . GLN A 0 6 . 17.956 1.451 -13.147 1.00 54.72 6 A 1 ATOM 37 C C . GLN A 0 6 . 17.615 1.949 -11.732 1.00 54.72 6 A 1 ATOM 38 C CB . GLN A 0 6 . 19.266 0.652 -13.203 1.00 54.72 6 A 1 ATOM 39 O O . GLN A 0 6 . 16.933 1.247 -10.986 1.00 54.72 6 A 1 ATOM 40 C CG . GLN A 0 6 . 19.119 -0.779 -12.658 1.00 54.72 6 A 1 ATOM 41 C CD . GLN A 0 6 . 20.329 -1.654 -12.986 1.00 54.72 6 A 1 ATOM 42 N NE2 . GLN A 0 6 . 20.261 -2.942 -12.732 1.00 54.72 6 A 1 ATOM 43 O OE1 . GLN A 0 6 . 21.348 -1.203 -13.484 1.00 54.72 6 A 1 ATOM 44 N N . SER A 0 7 . 18.022 3.171 -11.372 1.00 56.50 7 A 1 ATOM 45 C CA . SER A 0 7 . 17.745 3.761 -10.052 1.00 56.50 7 A 1 ATOM 46 C C . SER A 0 7 . 16.261 4.057 -9.836 1.00 56.50 7 A 1 ATOM 47 C CB . SER A 0 7 . 18.562 5.046 -9.869 1.00 56.50 7 A 1 ATOM 48 O O . SER A 0 7 . 15.746 3.864 -8.736 1.00 56.50 7 A 1 ATOM 49 O OG . SER A 0 7 . 18.426 5.887 -11.002 1.00 56.50 7 A 1 ATOM 50 N N . VAL A 0 8 . 15.554 4.452 -10.895 1.00 57.39 8 A 1 ATOM 51 C CA . VAL A 0 8 . 14.122 4.757 -10.838 1.00 57.39 8 A 1 ATOM 52 C C . VAL A 0 8 . 13.319 3.501 -10.478 1.00 57.39 8 A 1 ATOM 53 C CB . VAL A 0 8 . 13.684 5.395 -12.170 1.00 57.39 8 A 1 ATOM 54 O O . VAL A 0 8 . 12.476 3.541 -9.584 1.00 57.39 8 A 1 ATOM 55 C CG1 . VAL A 0 8 . 12.185 5.658 -12.204 1.00 57.39 8 A 1 ATOM 56 C CG2 . VAL A 0 8 . 14.398 6.733 -12.405 1.00 57.39 8 A 1 ATOM 57 N N . TRP A 0 9 . 13.640 2.355 -11.088 1.00 58.84 9 A 1 ATOM 58 C CA . TRP A 0 9 . 12.992 1.072 -10.784 1.00 58.84 9 A 1 ATOM 59 C C . TRP A 0 9 . 13.218 0.608 -9.348 1.00 58.84 9 A 1 ATOM 60 C CB . TRP A 0 9 . 13.512 -0.003 -11.737 1.00 58.84 9 A 1 ATOM 61 O O . TRP A 0 9 . 12.300 0.070 -8.725 1.00 58.84 9 A 1 ATOM 62 C CG . TRP A 0 9 . 13.221 0.282 -13.167 1.00 58.84 9 A 1 ATOM 63 C CD1 . TRP A 0 9 . 14.095 0.756 -14.071 1.00 58.84 9 A 1 ATOM 64 C CD2 . TRP A 0 9 . 11.995 0.056 -13.902 1.00 58.84 9 A 1 ATOM 65 C CE2 . TRP A 0 9 . 12.185 0.489 -15.250 1.00 58.84 9 A 1 ATOM 66 C CE3 . TRP A 0 9 . 10.777 -0.553 -13.577 1.00 58.84 9 A 1 ATOM 67 N NE1 . TRP A 0 9 . 13.472 0.958 -15.282 1.00 58.84 9 A 1 ATOM 68 C CH2 . TRP A 0 9 . 10.046 -0.337 -15.910 1.00 58.84 9 A 1 ATOM 69 C CZ2 . TRP A 0 9 . 11.219 0.338 -16.244 1.00 58.84 9 A 1 ATOM 70 C CZ3 . TRP A 0 9 . 9.842 -0.776 -14.591 1.00 58.84 9 A 1 ATOM 71 N N . TYR A 0 10 . 14.423 0.828 -8.812 1.00 61.13 10 A 1 ATOM 72 C CA . TYR A 0 10 . 14.735 0.450 -7.438 1.00 61.13 10 A 1 ATOM 73 C C . TYR A 0 10 . 13.862 1.226 -6.448 1.00 61.13 10 A 1 ATOM 74 C CB . TYR A 0 10 . 16.227 0.642 -7.156 1.00 61.13 10 A 1 ATOM 75 O O . TYR A 0 10 . 13.200 0.607 -5.613 1.00 61.13 10 A 1 ATOM 76 C CG . TYR A 0 10 . 16.623 0.115 -5.791 1.00 61.13 10 A 1 ATOM 77 C CD1 . TYR A 0 10 . 16.818 1.001 -4.713 1.00 61.13 10 A 1 ATOM 78 C CD2 . TYR A 0 10 . 16.756 -1.273 -5.595 1.00 61.13 10 A 1 ATOM 79 C CE1 . TYR A 0 10 . 17.158 0.500 -3.441 1.00 61.13 10 A 1 ATOM 80 C CE2 . TYR A 0 10 . 17.090 -1.776 -4.324 1.00 61.13 10 A 1 ATOM 81 O OH . TYR A 0 10 . 17.616 -1.389 -2.024 1.00 61.13 10 A 1 ATOM 82 C CZ . TYR A 0 10 . 17.293 -0.892 -3.246 1.00 61.13 10 A 1 ATOM 83 N N . ILE A 0 11 . 13.762 2.552 -6.620 1.00 64.21 11 A 1 ATOM 84 C CA . ILE A 0 11 . 12.898 3.410 -5.796 1.00 64.21 11 A 1 ATOM 85 C C . ILE A 0 11 . 11.447 2.918 -5.860 1.00 64.21 11 A 1 ATOM 86 C CB . ILE A 0 11 . 13.036 4.896 -6.206 1.00 64.21 11 A 1 ATOM 87 O O . ILE A 0 11 . 10.834 2.712 -4.816 1.00 64.21 11 A 1 ATOM 88 C CG1 . ILE A 0 11 . 14.475 5.397 -5.934 1.00 64.21 11 A 1 ATOM 89 C CG2 . ILE A 0 11 . 12.027 5.773 -5.438 1.00 64.21 11 A 1 ATOM 90 C CD1 . ILE A 0 11 . 14.789 6.764 -6.556 1.00 64.21 11 A 1 ATOM 91 N N . TYR A 0 12 . 10.921 2.619 -7.053 1.00 68.11 12 A 1 ATOM 92 C CA . TYR A 0 12 . 9.553 2.104 -7.181 1.00 68.11 12 A 1 ATOM 93 C C . TYR A 0 12 . 9.335 0.777 -6.451 1.00 68.11 12 A 1 ATOM 94 C CB . TYR A 0 12 . 9.163 1.959 -8.656 1.00 68.11 12 A 1 ATOM 95 O O . TYR A 0 12 . 8.313 0.612 -5.787 1.00 68.11 12 A 1 ATOM 96 C CG . TYR A 0 12 . 8.777 3.270 -9.299 1.00 68.11 12 A 1 ATOM 97 C CD1 . TYR A 0 12 . 7.641 3.965 -8.839 1.00 68.11 12 A 1 ATOM 98 C CD2 . TYR A 0 12 . 9.527 3.783 -10.371 1.00 68.11 12 A 1 ATOM 99 C CE1 . TYR A 0 12 . 7.285 5.197 -9.415 1.00 68.11 12 A 1 ATOM 100 C CE2 . TYR A 0 12 . 9.164 5.009 -10.953 1.00 68.11 12 A 1 ATOM 101 O OH . TYR A 0 12 . 7.753 6.912 -11.029 1.00 68.11 12 A 1 ATOM 102 C CZ . TYR A 0 12 . 8.063 5.725 -10.461 1.00 68.11 12 A 1 ATOM 103 N N . SER A 0 13 . 10.279 -0.163 -6.532 1.00 70.02 13 A 1 ATOM 104 C CA . SER A 0 13 . 10.139 -1.460 -5.859 1.00 70.02 13 A 1 ATOM 105 C C . SER A 0 13 . 10.159 -1.343 -4.331 1.00 70.02 13 A 1 ATOM 106 C CB . SER A 0 13 . 11.210 -2.431 -6.357 1.00 70.02 13 A 1 ATOM 107 O O . SER A 0 13 . 9.375 -2.013 -3.654 1.00 70.02 13 A 1 ATOM 108 O OG . SER A 0 13 . 12.508 -2.077 -5.921 1.00 70.02 13 A 1 ATOM 109 N N . VAL A 0 14 . 11.002 -0.458 -3.788 1.00 73.00 14 A 1 ATOM 110 C CA . VAL A 0 14 . 11.082 -0.183 -2.348 1.00 73.00 14 A 1 ATOM 111 C C . VAL A 0 14 . 9.813 0.525 -1.873 1.00 73.00 14 A 1 ATOM 112 C CB . VAL A 0 14 . 12.348 0.635 -2.024 1.00 73.00 14 A 1 ATOM 113 O O . VAL A 0 14 . 9.196 0.084 -0.904 1.00 73.00 14 A 1 ATOM 114 C CG1 . VAL A 0 14 . 12.401 1.051 -0.549 1.00 73.00 14 A 1 ATOM 115 C CG2 . VAL A 0 14 . 13.620 -0.174 -2.315 1.00 73.00 14 A 1 ATOM 116 N N . CYS A 0 15 . 9.365 1.563 -2.586 1.00 70.24 15 A 1 ATOM 117 C CA . CYS A 0 15 . 8.139 2.283 -2.240 1.00 70.24 15 A 1 ATOM 118 C C . CYS A 0 15 . 6.905 1.373 -2.280 1.00 70.24 15 A 1 ATOM 119 C CB . CYS A 0 15 . 7.953 3.468 -3.194 1.00 70.24 15 A 1 ATOM 120 O O . CYS A 0 15 . 6.056 1.446 -1.394 1.00 70.24 15 A 1 ATOM 121 S SG . CYS A 0 15 . 9.249 4.715 -2.956 1.00 70.24 15 A 1 ATOM 122 N N . LEU A 0 16 . 6.822 0.479 -3.268 1.00 74.78 16 A 1 ATOM 123 C CA . LEU A 0 16 . 5.719 -0.468 -3.394 1.00 74.78 16 A 1 ATOM 124 C C . LEU A 0 16 . 5.669 -1.444 -2.215 1.00 74.78 16 A 1 ATOM 125 C CB . LEU A 0 16 . 5.834 -1.144 -4.766 1.00 74.78 16 A 1 ATOM 126 O O . LEU A 0 16 . 4.592 -1.678 -1.675 1.00 74.78 16 A 1 ATOM 127 C CG . LEU A 0 16 . 4.632 -2.025 -5.147 1.00 74.78 16 A 1 ATOM 128 C CD1 . LEU A 0 16 . 4.476 -2.015 -6.665 1.00 74.78 16 A 1 ATOM 129 C CD2 . LEU A 0 16 . 4.833 -3.487 -4.745 1.00 74.78 16 A 1 ATOM 130 N N . ARG A 0 17 . 6.819 -1.962 -1.764 1.00 77.60 17 A 1 ATOM 131 C CA . ARG A 0 17 . 6.882 -2.817 -0.566 1.00 77.60 17 A 1 ATOM 132 C C . ARG A 0 17 . 6.396 -2.086 0.682 1.00 77.60 17 A 1 ATOM 133 C CB . ARG A 0 17 . 8.307 -3.337 -0.346 1.00 77.60 17 A 1 ATOM 134 O O . ARG A 0 17 . 5.573 -2.628 1.410 1.00 77.60 17 A 1 ATOM 135 C CG . ARG A 0 17 . 8.670 -4.460 -1.321 1.00 77.60 17 A 1 ATOM 136 C CD . ARG A 0 17 . 10.100 -4.925 -1.033 1.00 77.60 17 A 1 ATOM 137 N NE . ARG A 0 17 . 10.492 -6.056 -1.897 1.00 77.60 17 A 1 ATOM 138 N NH1 . ARG A 0 17 . 11.415 -7.410 -0.275 1.00 77.60 17 A 1 ATOM 139 N NH2 . ARG A 0 17 . 11.430 -8.068 -2.405 1.00 77.60 17 A 1 ATOM 140 C CZ . ARG A 0 17 . 11.106 -7.167 -1.519 1.00 77.60 17 A 1 ATOM 141 N N . ILE A 0 18 . 6.858 -0.854 0.899 1.00 77.39 18 A 1 ATOM 142 C CA . ILE A 0 18 . 6.460 -0.046 2.062 1.00 77.39 18 A 1 ATOM 143 C C . ILE A 0 18 . 4.945 0.181 2.065 1.00 77.39 18 A 1 ATOM 144 C CB . ILE A 0 18 . 7.245 1.284 2.090 1.00 77.39 18 A 1 ATOM 145 O O . ILE A 0 18 . 4.302 0.004 3.096 1.00 77.39 18 A 1 ATOM 146 C CG1 . ILE A 0 18 . 8.745 1.008 2.342 1.00 77.39 18 A 1 ATOM 147 C CG2 . ILE A 0 18 . 6.695 2.229 3.176 1.00 77.39 18 A 1 ATOM 148 C CD1 . ILE A 0 18 . 9.649 2.217 2.070 1.00 77.39 18 A 1 ATOM 149 N N . MET A 0 19 . 4.354 0.500 0.912 1.00 74.53 19 A 1 ATOM 150 C CA . MET A 0 19 . 2.903 0.660 0.827 1.00 74.53 19 A 1 ATOM 151 C C . MET A 0 19 . 2.145 -0.633 1.130 1.00 74.53 19 A 1 ATOM 152 C CB . MET A 0 19 . 2.493 1.162 -0.552 1.00 74.53 19 A 1 ATOM 153 O O . MET A 0 19 . 1.080 -0.550 1.733 1.00 74.53 19 A 1 ATOM 154 C CG . MET A 0 19 . 2.875 2.621 -0.792 1.00 74.53 19 A 1 ATOM 155 S SD . MET A 0 19 . 2.182 3.277 -2.326 1.00 74.53 19 A 1 ATOM 156 C CE . MET A 0 19 . 2.959 2.175 -3.522 1.00 74.53 19 A 1 ATOM 157 N N . ILE A 0 20 . 2.665 -1.811 0.746 1.00 78.55 20 A 1 ATOM 158 C CA . ILE A 0 20 . 1.986 -3.095 1.027 1.00 78.55 20 A 1 ATOM 159 C C . ILE A 0 20 . 1.953 -3.316 2.526 1.00 78.55 20 A 1 ATOM 160 C CB . ILE A 0 20 . 2.608 -4.289 0.259 1.00 78.55 20 A 1 ATOM 161 O O . ILE A 0 20 . 0.889 -3.584 3.068 1.00 78.55 20 A 1 ATOM 162 C CG1 . ILE A 0 20 . 2.362 -4.181 -1.265 1.00 78.55 20 A 1 ATOM 163 C CG2 . ILE A 0 20 . 2.002 -5.617 0.756 1.00 78.55 20 A 1 ATOM 164 C CD1 . ILE A 0 20 . 3.145 -5.179 -2.121 1.00 78.55 20 A 1 ATOM 165 N N . HIS A 0 21 . 3.083 -3.105 3.194 1.00 71.34 21 A 1 ATOM 166 C CA . HIS A 0 21 . 3.161 -3.239 4.641 1.00 71.34 21 A 1 ATOM 167 C C . HIS A 0 21 . 2.247 -2.255 5.376 1.00 71.34 21 A 1 ATOM 168 C CB . HIS A 0 21 . 4.620 -3.073 5.070 1.00 71.34 21 A 1 ATOM 169 O O . HIS A 0 21 . 1.593 -2.640 6.339 1.00 71.34 21 A 1 ATOM 170 C CG . HIS A 0 21 . 5.478 -4.223 4.613 1.00 71.34 21 A 1 ATOM 171 C CD2 . HIS A 0 21 . 6.618 -4.158 3.860 1.00 71.34 21 A 1 ATOM 172 N ND1 . HIS A 0 21 . 5.247 -5.551 4.884 1.00 71.34 21 A 1 ATOM 173 C CE1 . HIS A 0 21 . 6.230 -6.266 4.316 1.00 71.34 21 A 1 ATOM 174 N NE2 . HIS A 0 21 . 7.091 -5.461 3.665 1.00 71.34 21 A 1 ATOM 175 N N . ILE A 0 22 . 2.149 -1.002 4.916 1.00 75.78 22 A 1 ATOM 176 C CA . ILE A 0 22 . 1.232 -0.024 5.517 1.00 75.78 22 A 1 ATOM 177 C C . ILE A 0 22 . -0.222 -0.435 5.281 1.00 75.78 22 A 1 ATOM 178 C CB . ILE A 0 22 . 1.509 1.403 4.996 1.00 75.78 22 A 1 ATOM 179 O O . ILE A 0 22 . -1.017 -0.392 6.214 1.00 75.78 22 A 1 ATOM 180 C CG1 . ILE A 0 22 . 2.902 1.881 5.463 1.00 75.78 22 A 1 ATOM 181 C CG2 . ILE A 0 22 . 0.432 2.392 5.491 1.00 75.78 22 A 1 ATOM 182 C CD1 . ILE A 0 22 . 3.381 3.156 4.758 1.00 75.78 22 A 1 ATOM 183 N N . ALA A 0 23 . -0.580 -0.838 4.060 1.00 76.07 23 A 1 ATOM 184 C CA . ALA A 0 23 . -1.934 -1.276 3.745 1.00 76.07 23 A 1 ATOM 185 C C . ALA A 0 23 . -2.326 -2.494 4.588 1.00 76.07 23 A 1 ATOM 186 C CB . ALA A 0 23 . -2.033 -1.565 2.243 1.00 76.07 23 A 1 ATOM 187 O O . ALA A 0 23 . -3.388 -2.488 5.194 1.00 76.07 23 A 1 ATOM 188 N N . GLU A 0 24 . -1.452 -3.493 4.687 1.00 76.08 24 A 1 ATOM 189 C CA . GLU A 0 24 . -1.666 -4.698 5.488 1.00 76.08 24 A 1 ATOM 190 C C . GLU A 0 24 . -1.786 -4.380 6.984 1.00 76.08 24 A 1 ATOM 191 C CB . GLU A 0 24 . -0.513 -5.663 5.187 1.00 76.08 24 A 1 ATOM 192 O O . GLU A 0 24 . -2.700 -4.874 7.636 1.00 76.08 24 A 1 ATOM 193 C CG . GLU A 0 24 . -0.719 -7.070 5.758 1.00 76.08 24 A 1 ATOM 194 C CD . GLU A 0 24 . 0.384 -8.042 5.300 1.00 76.08 24 A 1 ATOM 195 O OE1 . GLU A 0 24 . 0.137 -9.265 5.365 1.00 76.08 24 A 1 ATOM 196 O OE2 . GLU A 0 24 . 1.466 -7.569 4.868 1.00 76.08 24 A 1 ATOM 197 N N . ALA A 0 25 . -0.950 -3.483 7.521 1.00 74.13 25 A 1 ATOM 198 C CA . ALA A 0 25 . -1.050 -3.036 8.910 1.00 74.13 25 A 1 ATOM 199 C C . ALA A 0 25 . -2.351 -2.264 9.179 1.00 74.13 25 A 1 ATOM 200 C CB . ALA A 0 25 . 0.180 -2.186 9.247 1.00 74.13 25 A 1 ATOM 201 O O . ALA A 0 25 . -3.016 -2.502 10.184 1.00 74.13 25 A 1 ATOM 202 N N . VAL A 0 26 . -2.749 -1.362 8.276 1.00 70.53 26 A 1 ATOM 203 C CA . VAL A 0 26 . -4.009 -0.617 8.400 1.00 70.53 26 A 1 ATOM 204 C C . VAL A 0 26 . -5.206 -1.556 8.278 1.00 70.53 26 A 1 ATOM 205 C CB . VAL A 0 26 . -4.089 0.533 7.379 1.00 70.53 26 A 1 ATOM 206 O O . VAL A 0 26 . -6.149 -1.409 9.047 1.00 70.53 26 A 1 ATOM 207 C CG1 . VAL A 0 26 . -5.463 1.215 7.395 1.00 70.53 26 A 1 ATOM 208 C CG2 . VAL A 0 26 . -3.059 1.627 7.697 1.00 70.53 26 A 1 ATOM 209 N N . ILE A 0 27 . -5.167 -2.535 7.369 1.00 68.56 27 A 1 ATOM 210 C CA . ILE A 0 27 . -6.209 -3.560 7.230 1.00 68.56 27 A 1 ATOM 211 C C . ILE A 0 27 . -6.279 -4.413 8.494 1.00 68.56 27 A 1 ATOM 212 C CB . ILE A 0 27 . -5.988 -4.426 5.968 1.00 68.56 27 A 1 ATOM 213 O O . ILE A 0 27 . -7.367 -4.573 9.027 1.00 68.56 27 A 1 ATOM 214 C CG1 . ILE A 0 27 . -6.240 -3.600 4.688 1.00 68.56 27 A 1 ATOM 215 C CG2 . ILE A 0 27 . -6.939 -5.641 5.952 1.00 68.56 27 A 1 ATOM 216 C CD1 . ILE A 0 27 . -5.622 -4.208 3.421 1.00 68.56 27 A 1 ATOM 217 N N . GLY A 0 28 . -5.151 -4.899 9.018 1.00 69.35 28 A 1 ATOM 218 C CA . GLY A 0 28 . -5.120 -5.700 10.243 1.00 69.35 28 A 1 ATOM 219 C C . GLY A 0 28 . -5.670 -4.945 11.456 1.00 69.35 28 A 1 ATOM 220 O O . GLY A 0 28 . -6.448 -5.494 12.230 1.00 69.35 28 A 1 ATOM 221 N N . VAL A 0 29 . -5.344 -3.655 11.591 1.00 64.16 29 A 1 ATOM 222 C CA . VAL A 0 29 . -5.906 -2.792 12.644 1.00 64.16 29 A 1 ATOM 223 C C . VAL A 0 29 . -7.400 -2.531 12.420 1.00 64.16 29 A 1 ATOM 224 C CB . VAL A 0 29 . -5.109 -1.475 12.739 1.00 64.16 29 A 1 ATOM 225 O O . VAL A 0 29 . -8.176 -2.526 13.377 1.00 64.16 29 A 1 ATOM 226 C CG1 . VAL A 0 29 . -5.744 -0.462 13.703 1.00 64.16 29 A 1 ATOM 227 C CG2 . VAL A 0 29 . -3.685 -1.732 13.253 1.00 64.16 29 A 1 ATOM 228 N N . LEU A 0 30 . -7.829 -2.326 11.170 1.00 61.24 30 A 1 ATOM 229 C CA . LEU A 0 30 . -9.233 -2.076 10.844 1.00 61.24 30 A 1 ATOM 230 C C . LEU A 0 30 . -10.096 -3.329 11.038 1.00 61.24 30 A 1 ATOM 231 C CB . LEU A 0 30 . -9.353 -1.549 9.402 1.00 61.24 30 A 1 ATOM 232 O O . LEU A 0 30 . -11.213 -3.208 11.535 1.00 61.24 30 A 1 ATOM 233 C CG . LEU A 0 30 . -10.685 -0.819 9.151 1.00 61.24 30 A 1 ATOM 234 C CD1 . LEU A 0 30 . -10.568 0.663 9.525 1.00 61.24 30 A 1 ATOM 235 C CD2 . LEU A 0 30 . -11.084 -0.903 7.678 1.00 61.24 30 A 1 ATOM 236 N N . ASP A 0 31 . -9.591 -4.509 10.680 1.00 60.80 31 A 1 ATOM 237 C CA . ASP A 0 31 . -10.280 -5.790 10.843 1.00 60.80 31 A 1 ATOM 238 C C . ASP A 0 31 . -10.453 -6.130 12.327 1.00 60.80 31 A 1 ATOM 239 C CB . ASP A 0 31 . -9.518 -6.887 10.084 1.00 60.80 31 A 1 ATOM 240 O O . ASP A 0 31 . -11.551 -6.478 12.752 1.00 60.80 31 A 1 ATOM 241 C CG . ASP A 0 31 . -10.373 -8.145 9.913 1.00 60.80 31 A 1 ATOM 242 O OD1 . ASP A 0 31 . -11.481 -8.000 9.345 1.00 60.80 31 A 1 ATOM 243 O OD2 . ASP A 0 31 . -9.902 -9.227 10.323 1.00 60.80 31 A 1 ATOM 244 N N . LEU A 0 32 . -9.436 -5.865 13.160 1.00 56.66 32 A 1 ATOM 245 C CA . LEU A 0 32 . -9.556 -5.962 14.620 1.00 56.66 32 A 1 ATOM 246 C C . LEU A 0 32 . -10.640 -5.031 15.180 1.00 56.66 32 A 1 ATOM 247 C CB . LEU A 0 32 . -8.195 -5.644 15.266 1.00 56.66 32 A 1 ATOM 248 O O . LEU A 0 32 . -11.406 -5.429 16.059 1.00 56.66 32 A 1 ATOM 249 C CG . LEU A 0 32 . -7.173 -6.789 15.165 1.00 56.66 32 A 1 ATOM 250 C CD1 . LEU A 0 32 . -5.789 -6.272 15.563 1.00 56.66 32 A 1 ATOM 251 C CD2 . LEU A 0 32 . -7.530 -7.949 16.099 1.00 56.66 32 A 1 ATOM 252 N N . ASN A 0 33 . -10.746 -3.805 14.660 1.00 59.20 33 A 1 ATOM 253 C CA . ASN A 0 33 . -11.765 -2.858 15.114 1.00 59.20 33 A 1 ATOM 254 C C . ASN A 0 33 . -13.171 -3.222 14.593 1.00 59.20 33 A 1 ATOM 255 C CB . ASN A 0 33 . -11.324 -1.437 14.717 1.00 59.20 33 A 1 ATOM 256 O O . ASN A 0 33 . -14.167 -3.058 15.296 1.00 59.20 33 A 1 ATOM 257 C CG . ASN A 0 33 . -11.908 -0.362 15.618 1.00 59.20 33 A 1 ATOM 258 N ND2 . ASN A 0 33 . -11.900 0.877 15.184 1.00 59.20 33 A 1 ATOM 259 O OD1 . ASN A 0 33 . -12.338 -0.590 16.734 1.00 59.20 33 A 1 ATOM 260 N N . GLY A 0 34 . -13.264 -3.761 13.372 1.00 54.74 34 A 1 ATOM 261 C CA . GLY A 0 34 . -14.500 -4.300 12.802 1.00 54.74 34 A 1 ATOM 262 C C . GLY A 0 34 . -14.998 -5.532 13.559 1.00 54.74 34 A 1 ATOM 263 O O . GLY A 0 34 . -16.193 -5.639 13.834 1.00 54.74 34 A 1 ATOM 264 N N . TYR A 0 35 . -14.080 -6.409 13.968 1.00 52.38 35 A 1 ATOM 265 C CA . TYR A 0 35 . -14.366 -7.583 14.786 1.00 52.38 35 A 1 ATOM 266 C C . TYR A 0 35 . -14.815 -7.197 16.200 1.00 52.38 35 A 1 ATOM 267 C CB . TYR A 0 35 . -13.126 -8.483 14.809 1.00 52.38 35 A 1 ATOM 268 O O . TYR A 0 35 . -15.834 -7.695 16.681 1.00 52.38 35 A 1 ATOM 269 C CG . TYR A 0 35 . -13.397 -9.838 15.422 1.00 52.38 35 A 1 ATOM 270 C CD1 . TYR A 0 35 . -12.979 -10.125 16.735 1.00 52.38 35 A 1 ATOM 271 C CD2 . TYR A 0 35 . -14.084 -10.809 14.670 1.00 52.38 35 A 1 ATOM 272 C CE1 . TYR A 0 35 . -13.238 -11.392 17.290 1.00 52.38 35 A 1 ATOM 273 C CE2 . TYR A 0 35 . -14.372 -12.065 15.233 1.00 52.38 35 A 1 ATOM 274 O OH . TYR A 0 35 . -14.243 -13.567 17.091 1.00 52.38 35 A 1 ATOM 275 C CZ . TYR A 0 35 . -13.954 -12.357 16.546 1.00 52.38 35 A 1 ATOM 276 N N . ALA A 0 36 . -14.147 -6.223 16.833 1.00 50.26 36 A 1 ATOM 277 C CA . ALA A 0 36 . -14.572 -5.682 18.127 1.00 50.26 36 A 1 ATOM 278 C C . ALA A 0 36 . -16.009 -5.129 18.079 1.00 50.26 36 A 1 ATOM 279 C CB . ALA A 0 36 . -13.572 -4.604 18.561 1.00 50.26 36 A 1 ATOM 280 O O . ALA A 0 36 . -16.774 -5.274 19.033 1.00 50.26 36 A 1 ATOM 281 N N . ARG A 0 37 . -16.407 -4.552 16.938 1.00 54.95 37 A 1 ATOM 282 C CA . ARG A 0 37 . -17.755 -4.017 16.723 1.00 54.95 37 A 1 ATOM 283 C C . ARG A 0 37 . -18.813 -5.075 16.404 1.00 54.95 37 A 1 ATOM 284 C CB . ARG A 0 37 . -17.690 -2.934 15.639 1.00 54.95 37 A 1 ATOM 285 O O . ARG A 0 37 . -19.987 -4.762 16.531 1.00 54.95 37 A 1 ATOM 286 C CG . ARG A 0 37 . -18.543 -1.723 16.019 1.00 54.95 37 A 1 ATOM 287 C CD . ARG A 0 37 . -18.369 -0.637 14.958 1.00 54.95 37 A 1 ATOM 288 N NE . ARG A 0 37 . -19.128 0.576 15.307 1.00 54.95 37 A 1 ATOM 289 N NH1 . ARG A 0 37 . -18.635 1.768 13.414 1.00 54.95 37 A 1 ATOM 290 N NH2 . ARG A 0 37 . -19.952 2.670 14.979 1.00 54.95 37 A 1 ATOM 291 C CZ . ARG A 0 37 . -19.234 1.663 14.569 1.00 54.95 37 A 1 ATOM 292 N N . GLN A 0 38 . -18.429 -6.286 15.993 1.00 52.21 38 A 1 ATOM 293 C CA . GLN A 0 38 . -19.365 -7.403 15.801 1.00 52.21 38 A 1 ATOM 294 C C . GLN A 0 38 . -19.608 -8.195 17.090 1.00 52.21 38 A 1 ATOM 295 C CB . GLN A 0 38 . -18.880 -8.336 14.682 1.00 52.21 38 A 1 ATOM 296 O O . GLN A 0 38 . -20.706 -8.714 17.276 1.00 52.21 38 A 1 ATOM 297 C CG . GLN A 0 38 . -19.137 -7.745 13.289 1.00 52.21 38 A 1 ATOM 298 C CD . GLN A 0 38 . -18.787 -8.730 12.178 1.00 52.21 38 A 1 ATOM 299 N NE2 . GLN A 0 38 . -18.036 -8.316 11.182 1.00 52.21 38 A 1 ATOM 300 O OE1 . GLN A 0 38 . -19.185 -9.881 12.170 1.00 52.21 38 A 1 ATOM 301 N N . ILE A 0 39 . -18.626 -8.263 18.000 1.00 54.97 39 A 1 ATOM 302 C CA . ILE A 0 39 . -18.825 -8.900 19.315 1.00 54.97 39 A 1 ATOM 303 C C . ILE A 0 39 . -19.738 -8.050 20.212 1.00 54.97 39 A 1 ATOM 304 C CB . ILE A 0 39 . -17.472 -9.240 19.982 1.00 54.97 39 A 1 ATOM 305 O O . ILE A 0 39 . -20.525 -8.594 20.987 1.00 54.97 39 A 1 ATOM 306 C CG1 . ILE A 0 39 . -16.768 -10.328 19.139 1.00 54.97 39 A 1 ATOM 307 C CG2 . ILE A 0 39 . -17.671 -9.723 21.434 1.00 54.97 39 A 1 ATOM 308 C CD1 . ILE A 0 39 . -15.450 -10.850 19.721 1.00 54.97 39 A 1 ATOM 309 N N . ALA A 0 40 . -19.700 -6.723 20.080 1.00 45.45 40 A 1 ATOM 310 C CA . ALA A 0 40 . -20.749 -5.872 20.624 1.00 45.45 40 A 1 ATOM 311 C C . ALA A 0 40 . -21.966 -5.974 19.695 1.00 45.45 40 A 1 ATOM 312 C CB . ALA A 0 40 . -20.204 -4.449 20.782 1.00 45.45 40 A 1 ATOM 313 O O . ALA A 0 40 . -22.000 -5.323 18.656 1.00 45.45 40 A 1 ATOM 314 N N . GLY A 0 41 . -22.910 -6.857 20.035 1.00 44.75 41 A 1 ATOM 315 C CA . GLY A 0 41 . -24.046 -7.228 19.188 1.00 44.75 41 A 1 ATOM 316 C C . GLY A 0 41 . -24.763 -6.045 18.515 1.00 44.75 41 A 1 ATOM 317 O O . GLY A 0 41 . -24.710 -4.917 19.010 1.00 44.75 41 A 1 ATOM 318 N N . PRO A 0 42 . -25.439 -6.286 17.377 1.00 45.60 42 A 1 ATOM 319 C CA . PRO A 0 42 . -26.010 -5.244 16.535 1.00 45.60 42 A 1 ATOM 320 C C . PRO A 0 42 . -27.199 -4.599 17.249 1.00 45.60 42 A 1 ATOM 321 C CB . PRO A 0 42 . -26.381 -5.950 15.223 1.00 45.60 42 A 1 ATOM 322 O O . PRO A 0 42 . -28.350 -4.974 17.035 1.00 45.60 42 A 1 ATOM 323 C CG . PRO A 0 42 . -26.712 -7.372 15.676 1.00 45.60 42 A 1 ATOM 324 C CD . PRO A 0 42 . -25.744 -7.600 16.835 1.00 45.60 42 A 1 ATOM 325 N N . THR A 0 43 . -26.931 -3.633 18.125 1.00 40.89 43 A 1 ATOM 326 C CA . THR A 0 43 . -27.966 -2.806 18.731 1.00 40.89 43 A 1 ATOM 327 C C . THR A 0 43 . -28.557 -1.962 17.616 1.00 40.89 43 A 1 ATOM 328 C CB . THR A 0 43 . -27.452 -1.952 19.894 1.00 40.89 43 A 1 ATOM 329 O O . THR A 0 43 . -27.982 -0.970 17.168 1.00 40.89 43 A 1 ATOM 330 C CG2 . THR A 0 43 . -28.608 -1.341 20.687 1.00 40.89 43 A 1 ATOM 331 O OG1 . THR A 0 43 . -26.739 -2.764 20.793 1.00 40.89 43 A 1 ATOM 332 N N . SER A 0 44 . -29.691 -2.447 17.130 1.00 39.52 44 A 1 ATOM 333 C CA . SER A 0 44 . -30.613 -1.834 16.195 1.00 39.52 44 A 1 ATOM 334 C C . SER A 0 44 . -30.879 -0.372 16.560 1.00 39.52 44 A 1 ATOM 335 C CB . SER A 0 44 . -31.909 -2.657 16.256 1.00 39.52 44 A 1 ATOM 336 O O . SER A 0 44 . -31.772 -0.070 17.348 1.00 39.52 44 A 1 ATOM 337 O OG . SER A 0 44 . -32.344 -2.777 17.600 1.00 39.52 44 A 1 ATOM 338 N N . ALA A 0 45 . -30.109 0.538 15.975 1.00 40.60 45 A 1 ATOM 339 C CA . ALA A 0 45 . -30.457 1.944 15.861 1.00 40.60 45 A 1 ATOM 340 C C . ALA A 0 45 . -30.845 2.188 14.400 1.00 40.60 45 A 1 ATOM 341 C CB . ALA A 0 45 . -29.313 2.814 16.386 1.00 40.60 45 A 1 ATOM 342 O O . ALA A 0 45 . -30.015 2.457 13.533 1.00 40.60 45 A 1 ATOM 343 N N . LEU A 0 46 . -32.134 1.975 14.148 1.00 37.67 46 A 1 ATOM 344 C CA . LEU A 0 46 . -32.877 2.555 13.039 1.00 37.67 46 A 1 ATOM 345 C C . LEU A 0 46 . -32.633 4.073 13.026 1.00 37.67 46 A 1 ATOM 346 C CB . LEU A 0 46 . -34.371 2.280 13.323 1.00 37.67 46 A 1 ATOM 347 O O . LEU A 0 46 . -32.886 4.724 14.031 1.00 37.67 46 A 1 ATOM 348 C CG . LEU A 0 46 . -34.816 0.824 13.094 1.00 37.67 46 A 1 ATOM 349 C CD1 . LEU A 0 46 . -35.980 0.445 14.011 1.00 37.67 46 A 1 ATOM 350 C CD2 . LEU A 0 46 . -35.259 0.631 11.644 1.00 37.67 46 A 1 ATOM 351 N N . ASP A 0 47 . -32.068 4.606 11.943 1.00 33.91 47 A 1 ATOM 352 C CA . ASP A 0 47 . -32.683 5.670 11.132 1.00 33.91 47 A 1 ATOM 353 C C . ASP A 0 47 . -31.672 6.314 10.164 1.00 33.91 47 A 1 ATOM 354 C CB . ASP A 0 47 . -33.447 6.770 11.913 1.00 33.91 47 A 1 ATOM 355 O O . ASP A 0 47 . -30.666 6.916 10.530 1.00 33.91 47 A 1 ATOM 356 C CG . ASP A 0 47 . -34.963 6.510 12.002 1.00 33.91 47 A 1 ATOM 357 O OD1 . ASP A 0 47 . -35.485 5.808 11.103 1.00 33.91 47 A 1 ATOM 358 O OD2 . ASP A 0 47 . -35.601 7.076 12.914 1.00 33.91 47 A 1 ATOM 359 N N . CYS A 0 48 . -31.988 6.132 8.884 1.00 30.78 48 A 1 ATOM 360 C CA . CYS A 0 48 . -31.659 6.916 7.698 1.00 30.78 48 A 1 ATOM 361 C C . CYS A 0 48 . -30.604 8.045 7.790 1.00 30.78 48 A 1 ATOM 362 C CB . CYS A 0 48 . -33.007 7.504 7.248 1.00 30.78 48 A 1 ATOM 363 O O . CYS A 0 48 . -30.875 9.142 8.265 1.00 30.78 48 A 1 ATOM 364 S SG . CYS A 0 48 . -34.152 6.177 6.762 1.00 30.78 48 A 1 ATOM 365 N N . SER A 0 49 . -29.480 7.883 7.078 1.00 39.09 49 A 1 ATOM 366 C CA . SER A 0 49 . -29.148 8.772 5.943 1.00 39.09 49 A 1 ATOM 367 C C . SER A 0 49 . -27.913 8.302 5.156 1.00 39.09 49 A 1 ATOM 368 C CB . SER A 0 49 . -29.002 10.263 6.306 1.00 39.09 49 A 1 ATOM 369 O O . SER A 0 49 . -26.776 8.328 5.607 1.00 39.09 49 A 1 ATOM 370 O OG . SER A 0 49 . -28.333 10.458 7.525 1.00 39.09 49 A 1 ATOM 371 N N . TYR A 0 50 . -28.197 7.874 3.925 1.00 39.49 50 A 1 ATOM 372 C CA . TYR A 0 50 . -27.465 8.205 2.702 1.00 39.49 50 A 1 ATOM 373 C C . TYR A 0 50 . -25.938 7.978 2.660 1.00 39.49 50 A 1 ATOM 374 C CB . TYR A 0 50 . -27.881 9.630 2.296 1.00 39.49 50 A 1 ATOM 375 O O . TYR A 0 50 . -25.128 8.850 2.961 1.00 39.49 50 A 1 ATOM 376 C CG . TYR A 0 50 . -27.902 9.862 0.802 1.00 39.49 50 A 1 ATOM 377 C CD1 . TYR A 0 50 . -26.890 10.622 0.189 1.00 39.49 50 A 1 ATOM 378 C CD2 . TYR A 0 50 . -28.964 9.345 0.034 1.00 39.49 50 A 1 ATOM 379 C CE1 . TYR A 0 50 . -26.945 10.881 -1.194 1.00 39.49 50 A 1 ATOM 380 C CE2 . TYR A 0 50 . -29.014 9.589 -1.351 1.00 39.49 50 A 1 ATOM 381 O OH . TYR A 0 50 . -28.079 10.615 -3.297 1.00 39.49 50 A 1 ATOM 382 C CZ . TYR A 0 50 . -28.011 10.366 -1.965 1.00 39.49 50 A 1 ATOM 383 N N . GLY A 0 51 . -25.542 6.823 2.116 1.00 33.77 51 A 1 ATOM 384 C CA . GLY A 0 51 . -24.299 6.716 1.342 1.00 33.77 51 A 1 ATOM 385 C C . GLY A 0 51 . -23.109 6.035 2.012 1.00 33.77 51 A 1 ATOM 386 O O . GLY A 0 51 . -22.070 5.898 1.364 1.00 33.77 51 A 1 ATOM 387 N N . PHE A 0 52 . -23.234 5.536 3.244 1.00 33.86 52 A 1 ATOM 388 C CA . PHE A 0 52 . -22.200 4.679 3.827 1.00 33.86 52 A 1 ATOM 389 C C . PHE A 0 52 . -22.266 3.294 3.165 1.00 33.86 52 A 1 ATOM 390 C CB . PHE A 0 52 . -22.272 4.674 5.369 1.00 33.86 52 A 1 ATOM 391 O O . PHE A 0 52 . -22.808 2.340 3.718 1.00 33.86 52 A 1 ATOM 392 C CG . PHE A 0 52 . -20.920 4.855 6.044 1.00 33.86 52 A 1 ATOM 393 C CD1 . PHE A 0 52 . -20.151 3.746 6.447 1.00 33.86 52 A 1 ATOM 394 C CD2 . PHE A 0 52 . -20.438 6.155 6.286 1.00 33.86 52 A 1 ATOM 395 C CE1 . PHE A 0 52 . -18.921 3.938 7.109 1.00 33.86 52 A 1 ATOM 396 C CE2 . PHE A 0 52 . -19.209 6.350 6.940 1.00 33.86 52 A 1 ATOM 397 C CZ . PHE A 0 52 . -18.452 5.242 7.358 1.00 33.86 52 A 1 ATOM 398 N N . ARG A 0 53 . -21.708 3.164 1.950 1.00 37.13 53 A 1 ATOM 399 C CA . ARG A 0 53 . -21.207 1.863 1.505 1.00 37.13 53 A 1 ATOM 400 C C . ARG A 0 53 . -20.170 1.477 2.547 1.00 37.13 53 A 1 ATOM 401 C CB . ARG A 0 53 . -20.605 1.883 0.085 1.00 37.13 53 A 1 ATOM 402 O O . ARG A 0 53 . -19.047 1.984 2.540 1.00 37.13 53 A 1 ATOM 403 C CG . ARG A 0 53 . -21.673 1.855 -1.019 1.00 37.13 53 A 1 ATOM 404 C CD . ARG A 0 53 . -21.027 1.725 -2.407 1.00 37.13 53 A 1 ATOM 405 N NE . ARG A 0 53 . -22.003 2.004 -3.483 1.00 37.13 53 A 1 ATOM 406 N NH1 . ARG A 0 53 . -21.803 0.062 -4.714 1.00 37.13 53 A 1 ATOM 407 N NH2 . ARG A 0 53 . -23.198 1.663 -5.389 1.00 37.13 53 A 1 ATOM 408 C CZ . ARG A 0 53 . -22.324 1.242 -4.517 1.00 37.13 53 A 1 ATOM 409 N N . VAL A 0 54 . -20.577 0.623 3.479 1.00 40.24 54 A 1 ATOM 410 C CA . VAL A 0 54 . -19.672 -0.251 4.208 1.00 40.24 54 A 1 ATOM 411 C C . VAL A 0 54 . -19.006 -1.074 3.114 1.00 40.24 54 A 1 ATOM 412 C CB . VAL A 0 54 . -20.432 -1.120 5.235 1.00 40.24 54 A 1 ATOM 413 O O . VAL A 0 54 . -19.497 -2.123 2.719 1.00 40.24 54 A 1 ATOM 414 C CG1 . VAL A 0 54 . -19.475 -2.029 6.015 1.00 40.24 54 A 1 ATOM 415 C CG2 . VAL A 0 54 . -21.178 -0.246 6.256 1.00 40.24 54 A 1 ATOM 416 N N . ILE A 0 55 . -17.953 -0.518 2.512 1.00 40.14 55 A 1 ATOM 417 C CA . ILE A 0 55 . -16.968 -1.329 1.817 1.00 40.14 55 A 1 ATOM 418 C C . ILE A 0 55 . -16.521 -2.267 2.928 1.00 40.14 55 A 1 ATOM 419 C CB . ILE A 0 55 . -15.826 -0.472 1.226 1.00 40.14 55 A 1 ATOM 420 O O . ILE A 0 55 . -16.037 -1.781 3.959 1.00 40.14 55 A 1 ATOM 421 C CG1 . ILE A 0 55 . -16.387 0.581 0.237 1.00 40.14 55 A 1 ATOM 422 C CG2 . ILE A 0 55 . -14.804 -1.390 0.534 1.00 40.14 55 A 1 ATOM 423 C CD1 . ILE A 0 55 . -15.340 1.567 -0.298 1.00 40.14 55 A 1 ATOM 424 N N . GLY A 0 56 . -16.867 -3.546 2.772 1.00 43.99 56 A 1 ATOM 425 C CA . GLY A 0 56 . -16.569 -4.622 3.707 1.00 43.99 56 A 1 ATOM 426 C C . GLY A 0 56 . -15.065 -4.720 3.970 1.00 43.99 56 A 1 ATOM 427 O O . GLY A 0 56 . -14.327 -3.815 3.569 1.00 43.99 56 A 1 ATOM 428 N N . PRO A 0 57 . -14.589 -5.762 4.675 1.00 50.67 57 A 1 ATOM 429 C CA . PRO A 0 57 . -13.161 -5.908 4.977 1.00 50.67 57 A 1 ATOM 430 C C . PRO A 0 57 . -12.398 -5.686 3.682 1.00 50.67 57 A 1 ATOM 431 C CB . PRO A 0 57 . -12.995 -7.350 5.477 1.00 50.67 57 A 1 ATOM 432 O O . PRO A 0 57 . -12.621 -6.494 2.795 1.00 50.67 57 A 1 ATOM 433 C CG . PRO A 0 57 . -14.193 -8.096 4.882 1.00 50.67 57 A 1 ATOM 434 C CD . PRO A 0 57 . -15.282 -7.028 4.865 1.00 50.67 57 A 1 ATOM 435 N N . ILE A 0 58 . -11.669 -4.553 3.561 1.00 54.33 58 A 1 ATOM 436 C CA . ILE A 0 58 . -11.182 -3.952 2.299 1.00 54.33 58 A 1 ATOM 437 C C . ILE A 0 58 . -11.018 -5.068 1.294 1.00 54.33 58 A 1 ATOM 438 C CB . ILE A 0 58 . -9.845 -3.199 2.536 1.00 54.33 58 A 1 ATOM 439 O O . ILE A 0 58 . -10.041 -5.810 1.401 1.00 54.33 58 A 1 ATOM 440 C CG1 . ILE A 0 58 . -10.147 -1.929 3.365 1.00 54.33 58 A 1 ATOM 441 C CG2 . ILE A 0 58 . -9.093 -2.827 1.238 1.00 54.33 58 A 1 ATOM 442 C CD1 . ILE A 0 58 . -8.953 -1.000 3.628 1.00 54.33 58 A 1 ATOM 443 N N . ASP A 0 59 . -12.057 -5.270 0.464 1.00 54.90 59 A 1 ATOM 444 C CA . ASP A 0 59 . -12.217 -6.564 -0.191 1.00 54.90 59 A 1 ATOM 445 C C . ASP A 0 59 . -10.905 -6.851 -0.888 1.00 54.90 59 A 1 ATOM 446 C CB . ASP A 0 59 . -13.402 -6.574 -1.171 1.00 54.90 59 A 1 ATOM 447 O O . ASP A 0 59 . -10.299 -5.938 -1.461 1.00 54.90 59 A 1 ATOM 448 C CG . ASP A 0 59 . -14.757 -6.631 -0.457 1.00 54.90 59 A 1 ATOM 449 O OD1 . ASP A 0 59 . -14.987 -7.629 0.256 1.00 54.90 59 A 1 ATOM 450 O OD2 . ASP A 0 59 . -15.553 -5.685 -0.660 1.00 54.90 59 A 1 ATOM 451 N N . ASN A 0 60 . -10.440 -8.097 -0.851 1.00 56.58 60 A 1 ATOM 452 C CA . ASN A 0 60 . -9.249 -8.504 -1.592 1.00 56.58 60 A 1 ATOM 453 C C . ASN A 0 60 . -9.269 -7.976 -3.039 1.00 56.58 60 A 1 ATOM 454 C CB . ASN A 0 60 . -9.167 -10.037 -1.564 1.00 56.58 60 A 1 ATOM 455 O O . ASN A 0 60 . -8.217 -7.851 -3.653 1.00 56.58 60 A 1 ATOM 456 C CG . ASN A 0 60 . -8.757 -10.563 -0.202 1.00 56.58 60 A 1 ATOM 457 N ND2 . ASN A 0 60 . -9.331 -11.653 0.247 1.00 56.58 60 A 1 ATOM 458 O OD1 . ASN A 0 60 . -7.895 -10.018 0.458 1.00 56.58 60 A 1 ATOM 459 N N . PHE A 0 61 . -10.445 -7.608 -3.560 1.00 60.95 61 A 1 ATOM 460 C CA . PHE A 0 61 . -10.664 -6.756 -4.719 1.00 60.95 61 A 1 ATOM 461 C C . PHE A 0 61 . -9.864 -5.438 -4.752 1.00 60.95 61 A 1 ATOM 462 C CB . PHE A 0 61 . -12.165 -6.466 -4.817 1.00 60.95 61 A 1 ATOM 463 O O . PHE A 0 61 . -9.118 -5.245 -5.701 1.00 60.95 61 A 1 ATOM 464 C CG . PHE A 0 61 . -12.538 -6.044 -6.214 1.00 60.95 61 A 1 ATOM 465 C CD1 . PHE A 0 61 . -12.604 -4.683 -6.563 1.00 60.95 61 A 1 ATOM 466 C CD2 . PHE A 0 61 . -12.733 -7.036 -7.192 1.00 60.95 61 A 1 ATOM 467 C CE1 . PHE A 0 61 . -12.869 -4.318 -7.894 1.00 60.95 61 A 1 ATOM 468 C CE2 . PHE A 0 61 . -12.998 -6.670 -8.520 1.00 60.95 61 A 1 ATOM 469 C CZ . PHE A 0 61 . -13.064 -5.310 -8.871 1.00 60.95 61 A 1 ATOM 470 N N . LEU A 0 62 . -9.955 -4.547 -3.755 1.00 59.49 62 A 1 ATOM 471 C CA . LEU A 0 62 . -9.184 -3.293 -3.718 1.00 59.49 62 A 1 ATOM 472 C C . LEU A 0 62 . -7.680 -3.565 -3.657 1.00 59.49 62 A 1 ATOM 473 C CB . LEU A 0 62 . -9.607 -2.430 -2.511 1.00 59.49 62 A 1 ATOM 474 O O . LEU A 0 62 . -6.907 -2.910 -4.354 1.00 59.49 62 A 1 ATOM 475 C CG . LEU A 0 62 . -10.931 -1.665 -2.683 1.00 59.49 62 A 1 ATOM 476 C CD1 . LEU A 0 62 . -11.286 -0.941 -1.381 1.00 59.49 62 A 1 ATOM 477 C CD2 . LEU A 0 62 . -10.852 -0.606 -3.786 1.00 59.49 62 A 1 ATOM 478 N N . LEU A 0 63 . -7.260 -4.564 -2.874 1.00 61.55 63 A 1 ATOM 479 C CA . LEU A 0 63 . -5.855 -4.966 -2.806 1.00 61.55 63 A 1 ATOM 480 C C . LEU A 0 63 . -5.375 -5.584 -4.133 1.00 61.55 63 A 1 ATOM 481 C CB . LEU A 0 63 . -5.667 -5.942 -1.631 1.00 61.55 63 A 1 ATOM 482 O O . LEU A 0 63 . -4.241 -5.356 -4.549 1.00 61.55 63 A 1 ATOM 483 C CG . LEU A 0 63 . -4.188 -6.121 -1.233 1.00 61.55 63 A 1 ATOM 484 C CD1 . LEU A 0 63 . -3.700 -4.964 -0.358 1.00 61.55 63 A 1 ATOM 485 C CD2 . LEU A 0 63 . -4.002 -7.416 -0.448 1.00 61.55 63 A 1 ATOM 486 N N . SER A 0 64 . -6.226 -6.351 -4.818 1.00 65.36 64 A 1 ATOM 487 C CA . SER A 0 64 . -5.914 -6.999 -6.098 1.00 65.36 64 A 1 ATOM 488 C C . SER A 0 64 . -5.884 -6.004 -7.248 1.00 65.36 64 A 1 ATOM 489 C CB . SER A 0 64 . -6.919 -8.101 -6.438 1.00 65.36 64 A 1 ATOM 490 O O . SER A 0 64 . -4.933 -6.025 -8.030 1.00 65.36 64 A 1 ATOM 491 O OG . SER A 0 64 . -6.830 -9.136 -5.484 1.00 65.36 64 A 1 ATOM 492 N N . ASP A 0 65 . -6.873 -5.111 -7.324 1.00 67.36 65 A 1 ATOM 493 C CA . ASP A 0 65 . -6.906 -4.000 -8.273 1.00 67.36 65 A 1 ATOM 494 C C . ASP A 0 65 . -5.673 -3.117 -8.073 1.00 67.36 65 A 1 ATOM 495 C CB . ASP A 0 65 . -8.203 -3.195 -8.100 1.00 67.36 65 A 1 ATOM 496 O O . ASP A 0 65 . -4.936 -2.834 -9.018 1.00 67.36 65 A 1 ATOM 497 C CG . ASP A 0 65 . -8.310 -2.126 -9.190 1.00 67.36 65 A 1 ATOM 498 O OD1 . ASP A 0 65 . -8.295 -2.524 -10.376 1.00 67.36 65 A 1 ATOM 499 O OD2 . ASP A 0 65 . -8.338 -0.926 -8.836 1.00 67.36 65 A 1 ATOM 500 N N . TRP A 0 66 . -5.327 -2.830 -6.817 1.00 64.85 66 A 1 ATOM 501 C CA . TRP A 0 66 . -4.089 -2.146 -6.484 1.00 64.85 66 A 1 ATOM 502 C C . TRP A 0 66 . -2.836 -2.909 -6.938 1.00 64.85 66 A 1 ATOM 503 C CB . TRP A 0 66 . -4.050 -1.884 -4.985 1.00 64.85 66 A 1 ATOM 504 O O . TRP A 0 66 . -1.968 -2.334 -7.601 1.00 64.85 66 A 1 ATOM 505 C CG . TRP A 0 66 . -2.780 -1.255 -4.550 1.00 64.85 66 A 1 ATOM 506 C CD1 . TRP A 0 66 . -2.190 -0.209 -5.161 1.00 64.85 66 A 1 ATOM 507 C CD2 . TRP A 0 66 . -1.878 -1.666 -3.495 1.00 64.85 66 A 1 ATOM 508 C CE2 . TRP A 0 66 . -0.805 -0.729 -3.466 1.00 64.85 66 A 1 ATOM 509 C CE3 . TRP A 0 66 . -1.849 -2.739 -2.583 1.00 64.85 66 A 1 ATOM 510 N NE1 . TRP A 0 66 . -1.046 0.143 -4.490 1.00 64.85 66 A 1 ATOM 511 C CH2 . TRP A 0 66 . 0.179 -1.837 -1.614 1.00 64.85 66 A 1 ATOM 512 C CZ2 . TRP A 0 66 . 0.224 -0.808 -2.546 1.00 64.85 66 A 1 ATOM 513 C CZ3 . TRP A 0 66 . -0.830 -2.813 -1.623 1.00 64.85 66 A 1 ATOM 514 N N . ARG A 0 67 . -2.737 -4.213 -6.648 1.00 65.97 67 A 1 ATOM 515 C CA . ARG A 0 67 . -1.590 -5.053 -7.034 1.00 65.97 67 A 1 ATOM 516 C C . ARG A 0 67 . -1.451 -5.185 -8.555 1.00 65.97 67 A 1 ATOM 517 C CB . ARG A 0 67 . -1.721 -6.418 -6.339 1.00 65.97 67 A 1 ATOM 518 O O . ARG A 0 67 . -0.330 -5.342 -9.053 1.00 65.97 67 A 1 ATOM 519 C CG . ARG A 0 67 . -0.415 -7.217 -6.398 1.00 65.97 67 A 1 ATOM 520 C CD . ARG A 0 67 . -0.515 -8.517 -5.594 1.00 65.97 67 A 1 ATOM 521 N NE . ARG A 0 67 . 0.815 -9.153 -5.480 1.00 65.97 67 A 1 ATOM 522 N NH1 . ARG A 0 67 . 0.365 -11.188 -6.448 1.00 65.97 67 A 1 ATOM 523 N NH2 . ARG A 0 67 . 2.421 -10.749 -5.701 1.00 65.97 67 A 1 ATOM 524 C CZ . ARG A 0 67 . 1.192 -10.353 -5.881 1.00 65.97 67 A 1 ATOM 525 N N . GLY A 0 68 . -2.561 -5.134 -9.288 1.00 69.28 68 A 1 ATOM 526 C CA . GLY A 0 68 . -2.605 -5.097 -10.748 1.00 69.28 68 A 1 ATOM 527 C C . GLY A 0 68 . -2.162 -3.743 -11.297 1.00 69.28 68 A 1 ATOM 528 O O . GLY A 0 68 . -1.247 -3.676 -12.122 1.00 69.28 68 A 1 ATOM 529 N N . SER A 0 69 . -2.742 -2.660 -10.780 1.00 66.05 69 A 1 ATOM 530 C CA . SER A 0 69 . -2.454 -1.288 -11.202 1.00 66.05 69 A 1 ATOM 531 C C . SER A 0 69 . -0.986 -0.929 -10.949 1.00 66.05 69 A 1 ATOM 532 C CB . SER A 0 69 . -3.421 -0.328 -10.495 1.00 66.05 69 A 1 ATOM 533 O O . SER A 0 69 . -0.283 -0.493 -11.860 1.00 66.05 69 A 1 ATOM 534 O OG . SER A 0 69 . -3.712 0.779 -11.320 1.00 66.05 69 A 1 ATOM 535 N N . ALA A 0 70 . -0.456 -1.252 -9.765 1.00 60.88 70 A 1 ATOM 536 C CA . ALA A 0 70 . 0.946 -1.036 -9.416 1.00 60.88 70 A 1 ATOM 537 C C . ALA A 0 70 . 1.920 -1.764 -10.366 1.00 60.88 70 A 1 ATOM 538 C CB . ALA A 0 70 . 1.135 -1.443 -7.953 1.00 60.88 70 A 1 ATOM 539 O O . ALA A 0 70 . 2.931 -1.191 -10.776 1.00 60.88 70 A 1 ATOM 540 N N . ARG A 0 71 . 1.594 -2.994 -10.798 1.00 64.73 71 A 1 ATOM 541 C CA . ARG A 0 71 . 2.384 -3.712 -11.817 1.00 64.73 71 A 1 ATOM 542 C C . ARG A 0 71 . 2.280 -3.096 -13.208 1.00 64.73 71 A 1 ATOM 543 C CB . ARG A 0 71 . 1.979 -5.189 -11.891 1.00 64.73 71 A 1 ATOM 544 O O . ARG A 0 71 . 3.252 -3.152 -13.961 1.00 64.73 71 A 1 ATOM 545 C CG . ARG A 0 71 . 2.686 -6.017 -10.816 1.00 64.73 71 A 1 ATOM 546 C CD . ARG A 0 71 . 2.531 -7.517 -11.097 1.00 64.73 71 A 1 ATOM 547 N NE . ARG A 0 71 . 1.651 -8.168 -10.119 1.00 64.73 71 A 1 ATOM 548 N NH1 . ARG A 0 71 . 2.160 -10.341 -10.695 1.00 64.73 71 A 1 ATOM 549 N NH2 . ARG A 0 71 . 0.679 -9.930 -9.088 1.00 64.73 71 A 1 ATOM 550 C CZ . ARG A 0 71 . 1.509 -9.472 -9.970 1.00 64.73 71 A 1 ATOM 551 N N . SER A 0 72 . 1.132 -2.524 -13.557 1.00 65.23 72 A 1 ATOM 552 C CA . SER A 0 72 . 0.958 -1.817 -14.828 1.00 65.23 72 A 1 ATOM 553 C C . SER A 0 72 . 1.856 -0.578 -14.897 1.00 65.23 72 A 1 ATOM 554 C CB . SER A 0 72 . -0.512 -1.443 -15.017 1.00 65.23 72 A 1 ATOM 555 O O . SER A 0 72 . 2.535 -0.366 -15.902 1.00 65.23 72 A 1 ATOM 556 O OG . SER A 0 72 . -0.712 -0.992 -16.340 1.00 65.23 72 A 1 ATOM 557 N N . TYR A 0 73 . 1.962 0.178 -13.797 1.00 59.33 73 A 1 ATOM 558 C CA . TYR A 0 73 . 2.831 1.359 -13.726 1.00 59.33 73 A 1 ATOM 559 C C . TYR A 0 73 . 4.312 1.024 -13.854 1.00 59.33 73 A 1 ATOM 560 C CB . TYR A 0 73 . 2.584 2.130 -12.427 1.00 59.33 73 A 1 ATOM 561 O O . TYR A 0 73 . 5.032 1.761 -14.523 1.00 59.33 73 A 1 ATOM 562 C CG . TYR A 0 73 . 1.217 2.768 -12.384 1.00 59.33 73 A 1 ATOM 563 C CD1 . TYR A 0 73 . 0.873 3.736 -13.343 1.00 59.33 73 A 1 ATOM 564 C CD2 . TYR A 0 73 . 0.274 2.365 -11.424 1.00 59.33 73 A 1 ATOM 565 C CE1 . TYR A 0 73 . -0.429 4.261 -13.364 1.00 59.33 73 A 1 ATOM 566 C CE2 . TYR A 0 73 . -1.031 2.885 -11.442 1.00 59.33 73 A 1 ATOM 567 O OH . TYR A 0 73 . -2.639 4.347 -12.461 1.00 59.33 73 A 1 ATOM 568 C CZ . TYR A 0 73 . -1.383 3.837 -12.418 1.00 59.33 73 A 1 ATOM 569 N N . ILE A 0 74 . 4.742 -0.110 -13.288 1.00 58.46 74 A 1 ATOM 570 C CA . ILE A 0 74 . 6.095 -0.640 -13.488 1.00 58.46 74 A 1 ATOM 571 C C . ILE A 0 74 . 6.355 -0.734 -14.999 1.00 58.46 74 A 1 ATOM 572 C CB . ILE A 0 74 . 6.265 -1.957 -12.681 1.00 58.46 74 A 1 ATOM 573 O O . ILE A 0 74 . 7.285 -0.119 -15.486 1.00 58.46 74 A 1 ATOM 574 C CG1 . ILE A 0 74 . 6.328 -1.615 -11.174 1.00 58.46 74 A 1 ATOM 575 C CG2 . ILE A 0 74 . 7.482 -2.827 -13.041 1.00 58.46 74 A 1 ATOM 576 C CD1 . ILE A 0 74 . 6.324 -2.835 -10.245 1.00 58.46 74 A 1 ATOM 577 N N . LYS A 0 75 . 5.486 -1.341 -15.810 1.00 62.44 75 A 1 ATOM 578 C CA . LYS A 0 75 . 5.770 -1.500 -17.250 1.00 62.44 75 A 1 ATOM 579 C C . LYS A 0 75 . 5.903 -0.200 -18.066 1.00 62.44 75 A 1 ATOM 580 C CB . LYS A 0 75 . 4.727 -2.424 -17.888 1.00 62.44 75 A 1 ATOM 581 O O . LYS A 0 75 . 6.519 -0.258 -19.125 1.00 62.44 75 A 1 ATOM 582 C CG . LYS A 0 75 . 4.922 -3.881 -17.451 1.00 62.44 75 A 1 ATOM 583 C CD . LYS A 0 75 . 3.970 -4.788 -18.236 1.00 62.44 75 A 1 ATOM 584 C CE . LYS A 0 75 . 4.219 -6.260 -17.894 1.00 62.44 75 A 1 ATOM 585 N NZ . LYS A 0 75 . 3.380 -7.154 -18.733 1.00 62.44 75 A 1 ATOM 586 N N . GLN A 0 76 . 5.357 0.941 -17.633 1.00 55.34 76 A 1 ATOM 587 C CA . GLN A 0 76 . 5.241 2.129 -18.501 1.00 55.34 76 A 1 ATOM 588 C C . GLN A 0 76 . 6.370 3.172 -18.387 1.00 55.34 76 A 1 ATOM 589 C CB . GLN A 0 76 . 3.833 2.741 -18.406 1.00 55.34 76 A 1 ATOM 590 O O . GLN A 0 76 . 6.329 4.187 -19.080 1.00 55.34 76 A 1 ATOM 591 C CG . GLN A 0 76 . 2.787 1.822 -19.061 1.00 55.34 76 A 1 ATOM 592 C CD . GLN A 0 76 . 1.447 2.503 -19.331 1.00 55.34 76 A 1 ATOM 593 N NE2 . GLN A 0 76 . 0.458 1.759 -19.775 1.00 55.34 76 A 1 ATOM 594 O OE1 . GLN A 0 76 . 1.247 3.697 -19.172 1.00 55.34 76 A 1 ATOM 595 N N . GLY A 0 77 . 7.423 2.935 -17.600 1.00 54.13 77 A 1 ATOM 596 C CA . GLY A 0 77 . 8.574 3.847 -17.568 1.00 54.13 77 A 1 ATOM 597 C C . GLY A 0 77 . 8.240 5.249 -17.028 1.00 54.13 77 A 1 ATOM 598 O O . GLY A 0 77 . 7.230 5.465 -16.365 1.00 54.13 77 A 1 ATOM 599 N N . THR A 0 78 . 9.122 6.222 -17.262 1.00 54.54 78 A 1 ATOM 600 C CA . THR A 0 78 . 9.211 7.508 -16.536 1.00 54.54 78 A 1 ATOM 601 C C . THR A 0 78 . 7.928 8.355 -16.520 1.00 54.54 78 A 1 ATOM 602 C CB . THR A 0 78 . 10.376 8.359 -17.096 1.00 54.54 78 A 1 ATOM 603 O O . THR A 0 78 . 7.696 9.081 -15.553 1.00 54.54 78 A 1 ATOM 604 C CG2 . THR A 0 78 . 11.329 8.812 -15.992 1.00 54.54 78 A 1 ATOM 605 O OG1 . THR A 0 78 . 11.166 7.631 -18.018 1.00 54.54 78 A 1 ATOM 606 N N . HIS A 0 79 . 7.052 8.222 -17.525 1.00 54.23 79 A 1 ATOM 607 C CA . HIS A 0 79 . 5.747 8.905 -17.567 1.00 54.23 79 A 1 ATOM 608 C C . HIS A 0 79 . 4.743 8.397 -16.512 1.00 54.23 79 A 1 ATOM 609 C CB . HIS A 0 79 . 5.164 8.828 -18.989 1.00 54.23 79 A 1 ATOM 610 O O . HIS A 0 79 . 3.731 9.052 -16.253 1.00 54.23 79 A 1 ATOM 611 C CG . HIS A 0 79 . 5.444 10.073 -19.791 1.00 54.23 79 A 1 ATOM 612 C CD2 . HIS A 0 79 . 6.567 10.349 -20.524 1.00 54.23 79 A 1 ATOM 613 N ND1 . HIS A 0 79 . 4.621 11.174 -19.885 1.00 54.23 79 A 1 ATOM 614 C CE1 . HIS A 0 79 . 5.231 12.088 -20.658 1.00 54.23 79 A 1 ATOM 615 N NE2 . HIS A 0 79 . 6.423 11.630 -21.062 1.00 54.23 79 A 1 ATOM 616 N N . ALA A 0 80 . 5.027 7.271 -15.851 1.00 55.00 80 A 1 ATOM 617 C CA . ALA A 0 80 . 4.180 6.695 -14.812 1.00 55.00 80 A 1 ATOM 618 C C . ALA A 0 80 . 4.264 7.423 -13.456 1.00 55.00 80 A 1 ATOM 619 C CB . ALA A 0 80 . 4.535 5.210 -14.678 1.00 55.00 80 A 1 ATOM 620 O O . ALA A 0 80 . 3.376 7.240 -12.625 1.00 55.00 80 A 1 ATOM 621 N N . SER A 0 81 . 5.271 8.281 -13.229 1.00 59.14 81 A 1 ATOM 622 C CA . SER A 0 81 . 5.482 8.943 -11.927 1.00 59.14 81 A 1 ATOM 623 C C . SER A 0 81 . 4.312 9.835 -11.505 1.00 59.14 81 A 1 ATOM 624 C CB . SER A 0 81 . 6.770 9.772 -11.960 1.00 59.14 81 A 1 ATOM 625 O O . SER A 0 81 . 3.895 9.821 -10.347 1.00 59.14 81 A 1 ATOM 626 O OG . SER A 0 81 . 7.057 10.260 -10.665 1.00 59.14 81 A 1 ATOM 627 N N . ILE A 0 82 . 3.718 10.576 -12.448 1.00 64.11 82 A 1 ATOM 628 C CA . ILE A 0 82 . 2.577 11.457 -12.151 1.00 64.11 82 A 1 ATOM 629 C C . ILE A 0 82 . 1.361 10.623 -11.742 1.00 64.11 82 A 1 ATOM 630 C CB . ILE A 0 82 . 2.266 12.385 -13.348 1.00 64.11 82 A 1 ATOM 631 O O . ILE A 0 82 . 0.731 10.906 -10.725 1.00 64.11 82 A 1 ATOM 632 C CG1 . ILE A 0 82 . 3.451 13.349 -13.586 1.00 64.11 82 A 1 ATOM 633 C CG2 . ILE A 0 82 . 0.966 13.176 -13.098 1.00 64.11 82 A 1 ATOM 634 C CD1 . ILE A 0 82 . 3.349 14.152 -14.889 1.00 64.11 82 A 1 ATOM 635 N N . ARG A 0 83 . 1.057 9.554 -12.490 1.00 63.96 83 A 1 ATOM 636 C CA . ARG A 0 83 . -0.074 8.675 -12.164 1.00 63.96 83 A 1 ATOM 637 C C . ARG A 0 83 . 0.139 7.944 -10.846 1.00 63.96 83 A 1 ATOM 638 C CB . ARG A 0 83 . -0.346 7.671 -13.284 1.00 63.96 83 A 1 ATOM 639 O O . ARG A 0 83 . -0.799 7.840 -10.069 1.00 63.96 83 A 1 ATOM 640 C CG . ARG A 0 83 . -0.925 8.336 -14.538 1.00 63.96 83 A 1 ATOM 641 C CD . ARG A 0 83 . -1.392 7.254 -15.516 1.00 63.96 83 A 1 ATOM 642 N NE . ARG A 0 83 . -1.976 7.831 -16.738 1.00 63.96 83 A 1 ATOM 643 N NH1 . ARG A 0 83 . -2.714 5.858 -17.659 1.00 63.96 83 A 1 ATOM 644 N NH2 . ARG A 0 83 . -3.043 7.776 -18.749 1.00 63.96 83 A 1 ATOM 645 C CZ . ARG A 0 83 . -2.571 7.154 -17.705 1.00 63.96 83 A 1 ATOM 646 N N . TYR A 0 84 . 1.363 7.509 -10.568 1.00 64.68 84 A 1 ATOM 647 C CA . TYR A 0 84 . 1.713 6.889 -9.297 1.00 64.68 84 A 1 ATOM 648 C C . TYR A 0 84 . 1.541 7.858 -8.120 1.00 64.68 84 A 1 ATOM 649 C CB . TYR A 0 84 . 3.144 6.371 -9.398 1.00 64.68 84 A 1 ATOM 650 O O . TYR A 0 84 . 0.953 7.487 -7.110 1.00 64.68 84 A 1 ATOM 651 C CG . TYR A 0 84 . 3.606 5.650 -8.157 1.00 64.68 84 A 1 ATOM 652 C CD1 . TYR A 0 84 . 4.402 6.329 -7.219 1.00 64.68 84 A 1 ATOM 653 C CD2 . TYR A 0 84 . 3.265 4.298 -7.965 1.00 64.68 84 A 1 ATOM 654 C CE1 . TYR A 0 84 . 4.915 5.634 -6.114 1.00 64.68 84 A 1 ATOM 655 C CE2 . TYR A 0 84 . 3.757 3.606 -6.844 1.00 64.68 84 A 1 ATOM 656 O OH . TYR A 0 84 . 5.113 3.623 -4.864 1.00 64.68 84 A 1 ATOM 657 C CZ . TYR A 0 84 . 4.590 4.277 -5.926 1.00 64.68 84 A 1 ATOM 658 N N . ASN A 0 85 . 1.961 9.118 -8.263 1.00 65.69 85 A 1 ATOM 659 C CA . ASN A 0 85 . 1.743 10.135 -7.232 1.00 65.69 85 A 1 ATOM 660 C C . ASN A 0 85 . 0.256 10.430 -7.013 1.00 65.69 85 A 1 ATOM 661 C CB . ASN A 0 85 . 2.514 11.413 -7.588 1.00 65.69 85 A 1 ATOM 662 O O . ASN A 0 85 . -0.191 10.467 -5.870 1.00 65.69 85 A 1 ATOM 663 C CG . ASN A 0 85 . 3.969 11.314 -7.184 1.00 65.69 85 A 1 ATOM 664 N ND2 . ASN A 0 85 . 4.889 11.426 -8.108 1.00 65.69 85 A 1 ATOM 665 O OD1 . ASN A 0 85 . 4.296 11.113 -6.030 1.00 65.69 85 A 1 ATOM 666 N N . ILE A 0 86 . -0.534 10.603 -8.078 1.00 70.51 86 A 1 ATOM 667 C CA . ILE A 0 86 . -1.995 10.770 -7.961 1.00 70.51 86 A 1 ATOM 668 C C . ILE A 0 86 . -2.605 9.559 -7.245 1.00 70.51 86 A 1 ATOM 669 C CB . ILE A 0 86 . -2.628 10.980 -9.356 1.00 70.51 86 A 1 ATOM 670 O O . ILE A 0 86 . -3.442 9.707 -6.358 1.00 70.51 86 A 1 ATOM 671 C CG1 . ILE A 0 86 . -2.183 12.338 -9.944 1.00 70.51 86 A 1 ATOM 672 C CG2 . ILE A 0 86 . -4.168 10.918 -9.289 1.00 70.51 86 A 1 ATOM 673 C CD1 . ILE A 0 86 . -2.494 12.496 -11.437 1.00 70.51 86 A 1 ATOM 674 N N . PHE A 0 87 . -2.138 8.361 -7.591 1.00 67.29 87 A 1 ATOM 675 C CA . PHE A 0 87 . -2.605 7.116 -7.006 1.00 67.29 87 A 1 ATOM 676 C C . PHE A 0 87 . -2.284 7.016 -5.505 1.00 67.29 87 A 1 ATOM 677 C CB . PHE A 0 87 . -2.025 5.956 -7.822 1.00 67.29 87 A 1 ATOM 678 O O . PHE A 0 87 . -3.176 6.716 -4.713 1.00 67.29 87 A 1 ATOM 679 C CG . PHE A 0 87 . -2.618 4.636 -7.418 1.00 67.29 87 A 1 ATOM 680 C CD1 . PHE A 0 87 . -2.092 3.951 -6.312 1.00 67.29 87 A 1 ATOM 681 C CD2 . PHE A 0 87 . -3.775 4.165 -8.065 1.00 67.29 87 A 1 ATOM 682 C CE1 . PHE A 0 87 . -2.771 2.833 -5.811 1.00 67.29 87 A 1 ATOM 683 C CE2 . PHE A 0 87 . -4.420 3.011 -7.594 1.00 67.29 87 A 1 ATOM 684 C CZ . PHE A 0 87 . -3.929 2.359 -6.453 1.00 67.29 87 A 1 ATOM 685 N N . ILE A 0 88 . -1.048 7.329 -5.095 1.00 73.23 88 A 1 ATOM 686 C CA . ILE A 0 88 . -0.650 7.385 -3.679 1.00 73.23 88 A 1 ATOM 687 C C . ILE A 0 88 . -1.500 8.394 -2.920 1.00 73.23 88 A 1 ATOM 688 C CB . ILE A 0 88 . 0.853 7.724 -3.529 1.00 73.23 88 A 1 ATOM 689 O O . ILE A 0 88 . -1.993 8.080 -1.839 1.00 73.23 88 A 1 ATOM 690 C CG1 . ILE A 0 88 . 1.661 6.473 -3.910 1.00 73.23 88 A 1 ATOM 691 C CG2 . ILE A 0 88 . 1.206 8.174 -2.092 1.00 73.23 88 A 1 ATOM 692 C CD1 . ILE A 0 88 . 3.172 6.605 -3.712 1.00 73.23 88 A 1 ATOM 693 N N . ASN A 0 89 . -1.684 9.592 -3.477 1.00 71.26 89 A 1 ATOM 694 C CA . ASN A 0 89 . -2.472 10.628 -2.823 1.00 71.26 89 A 1 ATOM 695 C C . ASN A 0 89 . -3.917 10.172 -2.625 1.00 71.26 89 A 1 ATOM 696 C CB . ASN A 0 89 . -2.375 11.942 -3.605 1.00 71.26 89 A 1 ATOM 697 O O . ASN A 0 89 . -4.417 10.281 -1.515 1.00 71.26 89 A 1 ATOM 698 C CG . ASN A 0 89 . -1.054 12.638 -3.344 1.00 71.26 89 A 1 ATOM 699 N ND2 . ASN A 0 89 . -0.214 12.789 -4.334 1.00 71.26 89 A 1 ATOM 700 O OD1 . ASN A 0 89 . -0.742 13.031 -2.236 1.00 71.26 89 A 1 ATOM 701 N N . ASN A 0 90 . -4.549 9.563 -3.632 1.00 73.36 90 A 1 ATOM 702 C CA . ASN A 0 90 . -5.896 9.011 -3.488 1.00 73.36 90 A 1 ATOM 703 C C . ASN A 0 90 . -5.964 7.911 -2.419 1.00 73.36 90 A 1 ATOM 704 C CB . ASN A 0 90 . -6.380 8.485 -4.848 1.00 73.36 90 A 1 ATOM 705 O O . ASN A 0 90 . -6.891 7.908 -1.612 1.00 73.36 90 A 1 ATOM 706 C CG . ASN A 0 90 . -6.780 9.592 -5.805 1.00 73.36 90 A 1 ATOM 707 N ND2 . ASN A 0 90 . -6.843 9.302 -7.082 1.00 73.36 90 A 1 ATOM 708 O OD1 . ASN A 0 90 . -7.084 10.712 -5.435 1.00 73.36 90 A 1 ATOM 709 N N . PHE A 0 91 . -4.981 7.007 -2.362 1.00 71.14 91 A 1 ATOM 710 C CA . PHE A 0 91 . -4.939 5.960 -1.338 1.00 71.14 91 A 1 ATOM 711 C C . PHE A 0 91 . -4.786 6.552 0.068 1.00 71.14 91 A 1 ATOM 712 C CB . PHE A 0 91 . -3.810 4.970 -1.645 1.00 71.14 91 A 1 ATOM 713 O O . PHE A 0 91 . -5.562 6.233 0.968 1.00 71.14 91 A 1 ATOM 714 C CG . PHE A 0 91 . -3.825 3.767 -0.723 1.00 71.14 91 A 1 ATOM 715 C CD1 . PHE A 0 91 . -3.000 3.725 0.419 1.00 71.14 91 A 1 ATOM 716 C CD2 . PHE A 0 91 . -4.699 2.698 -0.991 1.00 71.14 91 A 1 ATOM 717 C CE1 . PHE A 0 91 . -3.047 2.615 1.282 1.00 71.14 91 A 1 ATOM 718 C CE2 . PHE A 0 91 . -4.747 1.590 -0.128 1.00 71.14 91 A 1 ATOM 719 C CZ . PHE A 0 91 . -3.923 1.550 1.009 1.00 71.14 91 A 1 ATOM 720 N N . LEU A 0 92 . -3.845 7.481 0.245 1.00 70.07 92 A 1 ATOM 721 C CA . LEU A 0 92 . -3.680 8.216 1.495 1.00 70.07 92 A 1 ATOM 722 C C . LEU A 0 92 . -4.941 9.004 1.841 1.00 70.07 92 A 1 ATOM 723 C CB . LEU A 0 92 . -2.467 9.155 1.402 1.00 70.07 92 A 1 ATOM 724 O O . LEU A 0 92 . -5.330 9.009 2.997 1.00 70.07 92 A 1 ATOM 725 C CG . LEU A 0 92 . -1.105 8.442 1.392 1.00 70.07 92 A 1 ATOM 726 C CD1 . LEU A 0 92 . -0.005 9.474 1.150 1.00 70.07 92 A 1 ATOM 727 C CD2 . LEU A 0 92 . -0.795 7.744 2.718 1.00 70.07 92 A 1 ATOM 728 N N . THR A 0 93 . -5.627 9.614 0.876 1.00 72.64 93 A 1 ATOM 729 C CA . THR A 0 93 . -6.908 10.292 1.101 1.00 72.64 93 A 1 ATOM 730 C C . THR A 0 93 . -8.001 9.319 1.528 1.00 72.64 93 A 1 ATOM 731 C CB . THR A 0 93 . -7.359 11.073 -0.143 1.00 72.64 93 A 1 ATOM 732 O O . THR A 0 93 . -8.806 9.681 2.376 1.00 72.64 93 A 1 ATOM 733 C CG2 . THR A 0 93 . -8.682 11.810 0.058 1.00 72.64 93 A 1 ATOM 734 O OG1 . THR A 0 93 . -6.423 12.074 -0.460 1.00 72.64 93 A 1 ATOM 735 N N . ILE A 0 94 . -8.038 8.085 1.025 1.00 71.47 94 A 1 ATOM 736 C CA . ILE A 0 94 . -9.006 7.076 1.482 1.00 71.47 94 A 1 ATOM 737 C C . ILE A 0 94 . -8.699 6.665 2.928 1.00 71.47 94 A 1 ATOM 738 C CB . ILE A 0 94 . -9.044 5.877 0.509 1.00 71.47 94 A 1 ATOM 739 O O . ILE A 0 94 . -9.602 6.667 3.764 1.00 71.47 94 A 1 ATOM 740 C CG1 . ILE A 0 94 . -9.663 6.311 -0.841 1.00 71.47 94 A 1 ATOM 741 C CG2 . ILE A 0 94 . -9.859 4.707 1.095 1.00 71.47 94 A 1 ATOM 742 C CD1 . ILE A 0 94 . -9.357 5.343 -1.991 1.00 71.47 94 A 1 ATOM 743 N N . ILE A 0 95 . -7.433 6.384 3.250 1.00 65.76 95 A 1 ATOM 744 C CA . ILE A 0 95 . -7.019 6.007 4.609 1.00 65.76 95 A 1 ATOM 745 C C . ILE A 0 95 . -7.195 7.181 5.585 1.00 65.76 95 A 1 ATOM 746 C CB . ILE A 0 95 . -5.575 5.450 4.606 1.00 65.76 95 A 1 ATOM 747 O O . ILE A 0 95 . -7.929 7.073 6.565 1.00 65.76 95 A 1 ATOM 748 C CG1 . ILE A 0 95 . -5.394 4.186 3.727 1.00 65.76 95 A 1 ATOM 749 C CG2 . ILE A 0 95 . -5.105 5.149 6.041 1.00 65.76 95 A 1 ATOM 750 C CD1 . ILE A 0 95 . -6.376 3.037 3.985 1.00 65.76 95 A 1 ATOM 751 N N . PHE A 0 96 . -6.584 8.336 5.311 1.00 64.02 96 A 1 ATOM 752 C CA . PHE A 0 96 . -6.647 9.521 6.170 1.00 64.02 96 A 1 ATOM 753 C C . PHE A 0 96 . -8.000 10.215 6.150 1.00 64.02 96 A 1 ATOM 754 C CB . PHE A 0 96 . -5.568 10.551 5.815 1.00 64.02 96 A 1 ATOM 755 O O . PHE A 0 96 . -8.402 10.753 7.174 1.00 64.02 96 A 1 ATOM 756 C CG . PHE A 0 96 . -4.213 10.223 6.390 1.00 64.02 96 A 1 ATOM 757 C CD1 . PHE A 0 96 . -3.967 10.492 7.749 1.00 64.02 96 A 1 ATOM 758 C CD2 . PHE A 0 96 . -3.203 9.654 5.592 1.00 64.02 96 A 1 ATOM 759 C CE1 . PHE A 0 96 . -2.713 10.202 8.310 1.00 64.02 96 A 1 ATOM 760 C CE2 . PHE A 0 96 . -1.951 9.362 6.159 1.00 64.02 96 A 1 ATOM 761 C CZ . PHE A 0 96 . -1.704 9.639 7.513 1.00 64.02 96 A 1 ATOM 762 N N . GLY A 0 97 . -8.726 10.209 5.035 1.00 62.76 97 A 1 ATOM 763 C CA . GLY A 0 97 . -10.108 10.684 4.990 1.00 62.76 97 A 1 ATOM 764 C C . GLY A 0 97 . -10.987 9.879 5.943 1.00 62.76 97 A 1 ATOM 765 O O . GLY A 0 97 . -11.818 10.457 6.642 1.00 62.76 97 A 1 ATOM 766 N N . LYS A 0 98 . -10.723 8.571 6.075 1.00 52.92 98 A 1 ATOM 767 C CA . LYS A 0 98 . -11.387 7.705 7.054 1.00 52.92 98 A 1 ATOM 768 C C . LYS A 0 98 . -10.900 7.955 8.488 1.00 52.92 98 A 1 ATOM 769 C CB . LYS A 0 98 . -11.261 6.250 6.576 1.00 52.92 98 A 1 ATOM 770 O O . LYS A 0 98 . -11.735 8.102 9.376 1.00 52.92 98 A 1 ATOM 771 C CG . LYS A 0 98 . -12.333 5.324 7.168 1.00 52.92 98 A 1 ATOM 772 C CD . LYS A 0 98 . -12.828 4.331 6.104 1.00 52.92 98 A 1 ATOM 773 C CE . LYS A 0 98 . -13.869 3.381 6.706 1.00 52.92 98 A 1 ATOM 774 N NZ . LYS A 0 98 . -14.817 2.865 5.686 1.00 52.92 98 A 1 ATOM 775 N N . VAL A 0 99 . -9.595 8.160 8.710 1.00 50.78 99 A 1 ATOM 776 C CA . VAL A 0 99 . -9.059 8.597 10.023 1.00 50.78 99 A 1 ATOM 777 C C . VAL A 0 99 . -9.584 9.988 10.419 1.00 50.78 99 A 1 ATOM 778 C CB . VAL A 0 99 . -7.514 8.560 10.046 1.00 50.78 99 A 1 ATOM 779 O O . VAL A 0 99 . -9.778 10.273 11.599 1.00 50.78 99 A 1 ATOM 780 C CG1 . VAL A 0 99 . -6.920 9.071 11.367 1.00 50.78 99 A 1 ATOM 781 C CG2 . VAL A 0 99 . -6.980 7.135 9.851 1.00 50.78 99 A 1 ATOM 782 N N . ARG A 0 100 . -9.893 10.869 9.459 1.00 44.44 100 A 1 ATOM 783 C CA . ARG A 0 100 . -10.482 12.188 9.733 1.00 44.44 100 A 1 ATOM 784 C C . ARG A 0 100 . -11.937 12.083 10.186 1.00 44.44 100 A 1 ATOM 785 C CB . ARG A 0 100 . -10.314 13.113 8.518 1.00 44.44 100 A 1 ATOM 786 O O . ARG A 0 100 . -12.352 12.896 11.009 1.00 44.44 100 A 1 ATOM 787 C CG . ARG A 0 100 . -10.469 14.588 8.919 1.00 44.44 100 A 1 ATOM 788 C CD . ARG A 0 100 . -10.220 15.511 7.721 1.00 44.44 100 A 1 ATOM 789 N NE . ARG A 0 100 . -9.909 16.888 8.155 1.00 44.44 100 A 1 ATOM 790 N NH1 . ARG A 0 100 . -9.837 17.855 6.073 1.00 44.44 100 A 1 ATOM 791 N NH2 . ARG A 0 100 . -9.320 19.073 7.867 1.00 44.44 100 A 1 ATOM 792 C CZ . ARG A 0 100 . -9.692 17.928 7.367 1.00 44.44 100 A 1 ATOM 793 N N . PHE A 0 101 . -12.674 11.069 9.734 1.00 44.74 101 A 1 ATOM 794 C CA . PHE A 0 101 . -13.984 10.746 10.305 1.00 44.74 101 A 1 ATOM 795 C C . PHE A 0 101 . -13.870 10.132 11.701 1.00 44.74 101 A 1 ATOM 796 C CB . PHE A 0 101 . -14.784 9.861 9.343 1.00 44.74 101 A 1 ATOM 797 O O . PHE A 0 101 . -14.707 10.412 12.558 1.00 44.74 101 A 1 ATOM 798 C CG . PHE A 0 101 . -15.715 10.687 8.485 1.00 44.74 101 A 1 ATOM 799 C CD1 . PHE A 0 101 . -16.977 11.054 8.988 1.00 44.74 101 A 1 ATOM 800 C CD2 . PHE A 0 101 . -15.305 11.145 7.219 1.00 44.74 101 A 1 ATOM 801 C CE1 . PHE A 0 101 . -17.833 11.864 8.223 1.00 44.74 101 A 1 ATOM 802 C CE2 . PHE A 0 101 . -16.162 11.956 6.454 1.00 44.74 101 A 1 ATOM 803 C CZ . PHE A 0 101 . -17.426 12.313 6.955 1.00 44.74 101 A 1 ATOM 804 N N . GLU A 0 102 . -12.797 9.394 11.986 1.00 40.37 102 A 1 ATOM 805 C CA . GLU A 0 102 . -12.559 8.913 13.345 1.00 40.37 102 A 1 ATOM 806 C C . GLU A 0 102 . -12.093 10.024 14.293 1.00 40.37 102 A 1 ATOM 807 C CB . GLU A 0 102 . -11.591 7.731 13.353 1.00 40.37 102 A 1 ATOM 808 O O . GLU A 0 102 . -12.416 9.976 15.475 1.00 40.37 102 A 1 ATOM 809 C CG . GLU A 0 102 . -11.961 6.803 14.520 1.00 40.37 102 A 1 ATOM 810 C CD . GLU A 0 102 . -10.837 5.828 14.861 1.00 40.37 102 A 1 ATOM 811 O OE1 . GLU A 0 102 . -10.691 5.550 16.069 1.00 40.37 102 A 1 ATOM 812 O OE2 . GLU A 0 102 . -10.143 5.392 13.916 1.00 40.37 102 A 1 ATOM 813 N N . LYS A 0 103 . -11.446 11.099 13.817 1.00 40.94 103 A 1 ATOM 814 C CA . LYS A 0 103 . -11.119 12.236 14.696 1.00 40.94 103 A 1 ATOM 815 C C . LYS A 0 103 . -12.348 12.940 15.275 1.00 40.94 103 A 1 ATOM 816 C CB . LYS A 0 103 . -10.136 13.230 14.055 1.00 40.94 103 A 1 ATOM 817 O O . LYS A 0 103 . -12.216 13.503 16.354 1.00 40.94 103 A 1 ATOM 818 C CG . LYS A 0 103 . -8.682 12.750 14.213 1.00 40.94 103 A 1 ATOM 819 C CD . LYS A 0 103 . -7.681 13.912 14.131 1.00 40.94 103 A 1 ATOM 820 C CE . LYS A 0 103 . -6.267 13.385 14.409 1.00 40.94 103 A 1 ATOM 821 N NZ . LYS A 0 103 . -5.254 14.472 14.433 1.00 40.94 103 A 1 ATOM 822 N N . GLN A 0 104 . -13.543 12.844 14.682 1.00 41.90 104 A 1 ATOM 823 C CA . GLN A 0 104 . -14.753 13.285 15.395 1.00 41.90 104 A 1 ATOM 824 C C . GLN A 0 104 . -15.144 12.346 16.549 1.00 41.90 104 A 1 ATOM 825 C CB . GLN A 0 104 . -15.931 13.500 14.436 1.00 41.90 104 A 1 ATOM 826 O O . GLN A 0 104 . -15.715 12.807 17.538 1.00 41.90 104 A 1 ATOM 827 C CG . GLN A 0 104 . -15.884 14.894 13.788 1.00 41.90 104 A 1 ATOM 828 C CD . GLN A 0 104 . -17.190 15.264 13.088 1.00 41.90 104 A 1 ATOM 829 N NE2 . GLN A 0 104 . -17.314 16.472 12.584 1.00 41.90 104 A 1 ATOM 830 O OE1 . GLN A 0 104 . -18.129 14.495 12.993 1.00 41.90 104 A 1 ATOM 831 N N . SER A 0 105 . -14.787 11.063 16.485 1.00 38.75 105 A 1 ATOM 832 C CA . SER A 0 105 . -14.994 10.124 17.591 1.00 38.75 105 A 1 ATOM 833 C C . SER A 0 105 . -13.885 10.220 18.645 1.00 38.75 105 A 1 ATOM 834 C CB . SER A 0 105 . -15.145 8.700 17.055 1.00 38.75 105 A 1 ATOM 835 O O . SER A 0 105 . -14.175 10.202 19.839 1.00 38.75 105 A 1 ATOM 836 O OG . SER A 0 105 . -15.877 7.935 17.989 1.00 38.75 105 A 1 ATOM 837 N N . VAL A 0 106 . -12.627 10.439 18.243 1.00 42.49 106 A 1 ATOM 838 C CA . VAL A 0 106 . -11.512 10.606 19.190 1.00 42.49 106 A 1 ATOM 839 C C . VAL A 0 106 . -11.611 11.937 19.941 1.00 42.49 106 A 1 ATOM 840 C CB . VAL A 0 106 . -10.132 10.421 18.526 1.00 42.49 106 A 1 ATOM 841 O O . VAL A 0 106 . -11.287 11.983 21.123 1.00 42.49 106 A 1 ATOM 842 C CG1 . VAL A 0 106 . -9.014 10.398 19.578 1.00 42.49 106 A 1 ATOM 843 C CG2 . VAL A 0 106 . -10.026 9.095 17.764 1.00 42.49 106 A 1 ATOM 844 N N . THR A 0 107 . -12.146 13.011 19.341 1.00 40.36 107 A 1 ATOM 845 C CA . THR A 0 107 . -12.428 14.240 20.108 1.00 40.36 107 A 1 ATOM 846 C C . THR A 0 107 . -13.570 14.044 21.111 1.00 40.36 107 A 1 ATOM 847 C CB . THR A 0 107 . -12.681 15.453 19.201 1.00 40.36 107 A 1 ATOM 848 O O . THR A 0 107 . -13.509 14.608 22.202 1.00 40.36 107 A 1 ATOM 849 C CG2 . THR A 0 107 . -12.667 16.771 19.974 1.00 40.36 107 A 1 ATOM 850 O OG1 . THR A 0 107 . -11.644 15.579 18.260 1.00 40.36 107 A 1 ATOM 851 N N . LYS A 0 108 . -14.562 13.186 20.827 1.00 36.11 108 A 1 ATOM 852 C CA . LYS A 0 108 . -15.559 12.795 21.841 1.00 36.11 108 A 1 ATOM 853 C C . LYS A 0 108 . -14.955 11.916 22.942 1.00 36.11 108 A 1 ATOM 854 C CB . LYS A 0 108 . -16.784 12.137 21.189 1.00 36.11 108 A 1 ATOM 855 O O . LYS A 0 108 . -15.292 12.112 24.107 1.00 36.11 108 A 1 ATOM 856 C CG . LYS A 0 108 . -17.727 13.191 20.589 1.00 36.11 108 A 1 ATOM 857 C CD . LYS A 0 108 . -18.991 12.534 20.023 1.00 36.11 108 A 1 ATOM 858 C CE . LYS A 0 108 . -19.962 13.602 19.504 1.00 36.11 108 A 1 ATOM 859 N NZ . LYS A 0 108 . -21.200 12.995 18.949 1.00 36.11 108 A 1 ATOM 860 N N . LEU A 0 109 . -14.008 11.035 22.617 1.00 33.03 109 A 1 ATOM 861 C CA . LEU A 0 109 . -13.271 10.263 23.626 1.00 33.03 109 A 1 ATOM 862 C C . LEU A 0 109 . -12.365 11.148 24.495 1.00 33.03 109 A 1 ATOM 863 C CB . LEU A 0 109 . -12.479 9.122 22.956 1.00 33.03 109 A 1 ATOM 864 O O . LEU A 0 109 . -12.300 10.942 25.703 1.00 33.03 109 A 1 ATOM 865 C CG . LEU A 0 109 . -13.000 7.718 23.340 1.00 33.03 109 A 1 ATOM 866 C CD1 . LEU A 0 109 . -13.576 7.000 22.119 1.00 33.03 109 A 1 ATOM 867 C CD2 . LEU A 0 109 . -11.881 6.867 23.934 1.00 33.03 109 A 1 ATOM 868 N N . PHE A 0 110 . -11.746 12.186 23.927 1.00 38.84 110 A 1 ATOM 869 C CA . PHE A 0 110 . -10.975 13.167 24.699 1.00 38.84 110 A 1 ATOM 870 C C . PHE A 0 110 . -11.861 14.007 25.631 1.00 38.84 110 A 1 ATOM 871 C CB . PHE A 0 110 . -10.142 14.054 23.760 1.00 38.84 110 A 1 ATOM 872 O O . PHE A 0 110 . -11.436 14.358 26.732 1.00 38.84 110 A 1 ATOM 873 C CG . PHE A 0 110 . -8.653 13.848 23.944 1.00 38.84 110 A 1 ATOM 874 C CD1 . PHE A 0 110 . -7.956 14.596 24.911 1.00 38.84 110 A 1 ATOM 875 C CD2 . PHE A 0 110 . -7.977 12.865 23.197 1.00 38.84 110 A 1 ATOM 876 C CE1 . PHE A 0 110 . -6.584 14.372 25.121 1.00 38.84 110 A 1 ATOM 877 C CE2 . PHE A 0 110 . -6.604 12.641 23.409 1.00 38.84 110 A 1 ATOM 878 C CZ . PHE A 0 110 . -5.909 13.395 24.370 1.00 38.84 110 A 1 ATOM 879 N N . PHE A 0 111 . -13.108 14.287 25.240 1.00 41.67 111 A 1 ATOM 880 C CA . PHE A 0 111 . -14.077 14.917 26.141 1.00 41.67 111 A 1 ATOM 881 C C . PHE A 0 111 . -14.538 13.974 27.260 1.00 41.67 111 A 1 ATOM 882 C CB . PHE A 0 111 . -15.248 15.511 25.345 1.00 41.67 111 A 1 ATOM 883 O O . PHE A 0 111 . -14.683 14.418 28.400 1.00 41.67 111 A 1 ATOM 884 C CG . PHE A 0 111 . -15.114 17.011 25.166 1.00 41.67 111 A 1 ATOM 885 C CD1 . PHE A 0 111 . -15.591 17.875 26.170 1.00 41.67 111 A 1 ATOM 886 C CD2 . PHE A 0 111 . -14.483 17.545 24.027 1.00 41.67 111 A 1 ATOM 887 C CE1 . PHE A 0 111 . -15.456 19.267 26.027 1.00 41.67 111 A 1 ATOM 888 C CE2 . PHE A 0 111 . -14.349 18.939 23.884 1.00 41.67 111 A 1 ATOM 889 C CZ . PHE A 0 111 . -14.839 19.800 24.882 1.00 41.67 111 A 1 ATOM 890 N N . LEU A 0 112 . -14.686 12.673 26.992 1.00 37.12 112 A 1 ATOM 891 C CA . LEU A 0 112 . -15.002 11.698 28.041 1.00 37.12 112 A 1 ATOM 892 C C . LEU A 0 112 . -13.832 11.497 29.012 1.00 37.12 112 A 1 ATOM 893 C CB . LEU A 0 112 . -15.487 10.381 27.411 1.00 37.12 112 A 1 ATOM 894 O O . LEU A 0 112 . -14.048 11.532 30.222 1.00 37.12 112 A 1 ATOM 895 C CG . LEU A 0 112 . -16.986 10.421 27.059 1.00 37.12 112 A 1 ATOM 896 C CD1 . LEU A 0 112 . -17.333 9.274 26.111 1.00 37.12 112 A 1 ATOM 897 C CD2 . LEU A 0 112 . -17.866 10.291 28.307 1.00 37.12 112 A 1 ATOM 898 N N . GLN A 0 113 . -12.589 11.411 28.528 1.00 38.58 113 A 1 ATOM 899 C CA . GLN A 0 113 . -11.427 11.268 29.412 1.00 38.58 113 A 1 ATOM 900 C C . GLN A 0 113 . -11.248 12.491 30.329 1.00 38.58 113 A 1 ATOM 901 C CB . GLN A 0 113 . -10.158 11.017 28.586 1.00 38.58 113 A 1 ATOM 902 O O . GLN A 0 113 . -10.933 12.350 31.511 1.00 38.58 113 A 1 ATOM 903 C CG . GLN A 0 113 . -9.075 10.372 29.472 1.00 38.58 113 A 1 ATOM 904 C CD . GLN A 0 113 . -7.650 10.577 28.974 1.00 38.58 113 A 1 ATOM 905 N NE2 . GLN A 0 113 . -6.670 10.140 29.732 1.00 38.58 113 A 1 ATOM 906 O OE1 . GLN A 0 113 . -7.384 11.151 27.931 1.00 38.58 113 A 1 ATOM 907 N N . LYS A 0 114 . -11.519 13.702 29.821 1.00 45.39 114 A 1 ATOM 908 C CA . LYS A 0 114 . -11.428 14.928 30.627 1.00 45.39 114 A 1 ATOM 909 C C . LYS A 0 114 . -12.561 15.069 31.651 1.00 45.39 114 A 1 ATOM 910 C CB . LYS A 0 114 . -11.307 16.134 29.686 1.00 45.39 114 A 1 ATOM 911 O O . LYS A 0 114 . -12.387 15.775 32.640 1.00 45.39 114 A 1 ATOM 912 C CG . LYS A 0 114 . -10.669 17.339 30.392 1.00 45.39 114 A 1 ATOM 913 C CD . LYS A 0 114 . -10.211 18.391 29.374 1.00 45.39 114 A 1 ATOM 914 C CE . LYS A 0 114 . -9.426 19.489 30.098 1.00 45.39 114 A 1 ATOM 915 N NZ . LYS A 0 114 . -8.832 20.460 29.146 1.00 45.39 114 A 1 ATOM 916 N N . SER A 0 115 . -13.689 14.389 31.443 1.00 42.31 115 A 1 ATOM 917 C CA . SER A 0 115 . -14.803 14.377 32.401 1.00 42.31 115 A 1 ATOM 918 C C . SER A 0 115 . -14.527 13.435 33.573 1.00 42.31 115 A 1 ATOM 919 C CB . SER A 0 115 . -16.107 13.979 31.704 1.00 42.31 115 A 1 ATOM 920 O O . SER A 0 115 . -14.789 13.791 34.717 1.00 42.31 115 A 1 ATOM 921 O OG . SER A 0 115 . -16.331 14.775 30.552 1.00 42.31 115 A 1 ATOM 922 N N . VAL A 0 116 . -13.929 12.268 33.309 1.00 42.48 116 A 1 ATOM 923 C CA . VAL A 0 116 . -13.597 11.292 34.361 1.00 42.48 116 A 1 ATOM 924 C C . VAL A 0 116 . -12.496 11.823 35.281 1.00 42.48 116 A 1 ATOM 925 C CB . VAL A 0 116 . -13.232 9.927 33.748 1.00 42.48 116 A 1 ATOM 926 O O . VAL A 0 116 . -12.597 11.693 36.496 1.00 42.48 116 A 1 ATOM 927 C CG1 . VAL A 0 116 . -12.837 8.894 34.808 1.00 42.48 116 A 1 ATOM 928 C CG2 . VAL A 0 116 . -14.426 9.348 32.975 1.00 42.48 116 A 1 ATOM 929 N N . SER A 0 117 . -11.507 12.541 34.742 1.00 43.94 117 A 1 ATOM 930 C CA . SER A 0 117 . -10.429 13.106 35.567 1.00 43.94 117 A 1 ATOM 931 C C . SER A 0 117 . -10.859 14.272 36.471 1.00 43.94 117 A 1 ATOM 932 C CB . SER A 0 117 . -9.260 13.529 34.677 1.00 43.94 117 A 1 ATOM 933 O O . SER A 0 117 . -10.033 14.763 37.234 1.00 43.94 117 A 1 ATOM 934 O OG . SER A 0 117 . -8.075 13.619 35.435 1.00 43.94 117 A 1 ATOM 935 N N . LYS A 0 118 . -12.112 14.743 36.390 1.00 47.83 118 A 1 ATOM 936 C CA . LYS A 0 118 . -12.639 15.806 37.263 1.00 47.83 118 A 1 ATOM 937 C C . LYS A 0 118 . -13.508 15.278 38.412 1.00 47.83 118 A 1 ATOM 938 C CB . LYS A 0 118 . -13.323 16.884 36.403 1.00 47.83 118 A 1 ATOM 939 O O . LYS A 0 118 . -13.985 16.077 39.206 1.00 47.83 118 A 1 ATOM 940 C CG . LYS A 0 118 . -13.404 18.228 37.144 1.00 47.83 118 A 1 ATOM 941 C CD . LYS A 0 118 . -13.728 19.391 36.205 1.00 47.83 118 A 1 ATOM 942 C CE . LYS A 0 118 . -13.706 20.672 37.044 1.00 47.83 118 A 1 ATOM 943 N NZ . LYS A 0 118 . -13.971 21.879 36.228 1.00 47.83 118 A 1 ATOM 944 N N . ILE A 0 119 . -13.721 13.963 38.496 1.00 49.86 119 A 1 ATOM 945 C CA . ILE A 0 119 . -14.405 13.334 39.640 1.00 49.86 119 A 1 ATOM 946 C C . ILE A 0 119 . -13.391 12.818 40.679 1.00 49.86 119 A 1 ATOM 947 C CB . ILE A 0 119 . -15.427 12.280 39.143 1.00 49.86 119 A 1 ATOM 948 O O . ILE A 0 119 . -13.756 12.637 41.833 1.00 49.86 119 A 1 ATOM 949 C CG1 . ILE A 0 119 . -16.504 12.978 38.270 1.00 49.86 119 A 1 ATOM 950 C CG2 . ILE A 0 119 . -16.101 11.535 40.312 1.00 49.86 119 A 1 ATOM 951 C CD1 . ILE A 0 119 . -17.533 12.037 37.631 1.00 49.86 119 A 1 ATOM 952 N N . GLU A 0 120 . -12.113 12.663 40.318 1.00 43.62 120 A 1 ATOM 953 C CA . GLU A 0 120 . -11.044 12.281 41.259 1.00 43.62 120 A 1 ATOM 954 C C . GLU A 0 120 . -10.066 13.423 41.586 1.00 43.62 120 A 1 ATOM 955 C CB . GLU A 0 120 . -10.336 10.993 40.814 1.00 43.62 120 A 1 ATOM 956 O O . GLU A 0 120 . -8.850 13.238 41.621 1.00 43.62 120 A 1 ATOM 957 C CG . GLU A 0 120 . -11.211 9.747 40.997 1.00 43.62 120 A 1 ATOM 958 C CD . GLU A 0 120 . -10.335 8.506 41.221 1.00 43.62 120 A 1 ATOM 959 O OE1 . GLU A 0 120 . -10.604 7.772 42.199 1.00 43.62 120 A 1 ATOM 960 O OE2 . GLU A 0 120 . -9.411 8.290 40.401 1.00 43.62 120 A 1 ATOM 961 N N . SER A 0 121 . -10.595 14.620 41.846 1.00 44.37 121 A 1 ATOM 962 C CA . SER A 0 121 . -9.914 15.633 42.663 1.00 44.37 121 A 1 ATOM 963 C C . SER A 0 121 . -10.926 16.479 43.410 1.00 44.37 121 A 1 ATOM 964 C CB . SER A 0 121 . -9.015 16.529 41.821 1.00 44.37 121 A 1 ATOM 965 O O . SER A 0 121 . -10.532 16.950 44.498 1.00 44.37 121 A 1 ATOM 966 O OG . SER A 0 121 . -8.362 17.400 42.721 1.00 44.37 121 A 1 ATOM 967 O OXT . SER A 0 121 . -12.001 16.723 42.824 1.00 44.37 121 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 56.03 # loop_ _atom_type.symbol C N O S #