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 LYS 0 3 ASN 0 4 LEU 0 5 LEU 0 6 MET 0 7 PHE 0 8 TYR 0 9 ILE 0 10 LYS 0 11 PRO 0 12 PHE 0 13 THR 0 14 PRO 0 15 ASP 0 16 CYS 0 17 LYS 0 18 HIS 0 19 ILE 0 20 SER 0 21 CYS 0 22 GLY 0 23 SER 0 24 ASN 0 25 GLN 0 26 HIS 0 27 CYS 0 28 VAL 0 29 LYS 0 30 ASN 0 31 LEU 0 32 ALA 0 33 GLY 0 34 ASN 0 35 PHE 0 36 THR 0 37 CYS 0 38 VAL 0 39 CYS 0 40 SER 0 41 VAL 0 42 PHE 0 43 PHE 0 44 ALA 0 45 PRO 0 46 GLU 0 47 ASN 0 48 LEU 0 49 ASP 0 50 PRO 0 51 SER 0 52 VAL 0 53 PRO 0 54 LEU 0 55 ASP 0 56 CYS 0 57 ARG 0 58 PHE 0 59 SER 0 60 TRP 0 61 VAL 0 62 THR 0 63 LEU 0 64 LEU 0 65 LEU 0 66 VAL 0 67 LEU 0 68 ILE 0 69 PHE 0 70 SER 0 71 LEU 0 72 LEU 0 73 SER 0 74 ILE 0 75 ALA 0 76 CYS 0 77 ILE 0 78 ILE 0 79 TRP 0 80 ILE 0 81 ILE 0 82 VAL 0 83 ALA 0 84 ILE 0 85 CYS 0 86 LYS 0 87 ALA 0 88 CYS 0 89 SER 0 90 CYS 0 91 LYS 0 92 GLY 0 93 GLN 0 94 TYR 0 95 THR 0 96 ASN 0 97 ALA 0 98 LYS 0 99 PRO 0 100 VAL 0 101 ASN 0 102 GLN 0 103 PRO 0 104 GLU 0 105 VAL 0 106 GLU 0 107 ASN 0 108 GLU 0 109 SER 0 110 ILE 0 111 ARG 0 112 SER 0 113 VAL 0 114 ARG 0 115 SER 0 116 VAL 0 117 THR 0 118 SER 0 119 ILE 0 120 PRO 0 121 TYR 0 122 ASN 0 123 THR 0 124 ARG 0 125 SER 0 126 ILE 0 127 ASN 0 128 CYS 0 129 ASP # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 0 1 . -9.679 -12.172 -18.502 1.00 39.08 1 A 1 ATOM 2 C CA . MET A 0 1 . -8.477 -12.877 -17.999 1.00 39.08 1 A 1 ATOM 3 C C . MET A 0 1 . -7.467 -13.032 -19.131 1.00 39.08 1 A 1 ATOM 4 C CB . MET A 0 1 . -8.830 -14.267 -17.438 1.00 39.08 1 A 1 ATOM 5 O O . MET A 0 1 . -7.480 -14.053 -19.800 1.00 39.08 1 A 1 ATOM 6 C CG . MET A 0 1 . -9.799 -14.238 -16.257 1.00 39.08 1 A 1 ATOM 7 S SD . MET A 0 1 . -10.125 -15.880 -15.573 1.00 39.08 1 A 1 ATOM 8 C CE . MET A 0 1 . -11.055 -16.681 -16.911 1.00 39.08 1 A 1 ATOM 9 N N . LYS A 0 2 . -6.690 -11.985 -19.415 1.00 47.32 2 A 1 ATOM 10 C CA . LYS A 0 2 . -5.495 -11.930 -20.282 1.00 47.32 2 A 1 ATOM 11 C C . LYS A 0 2 . -5.188 -10.432 -20.427 1.00 47.32 2 A 1 ATOM 12 C CB . LYS A 0 2 . -5.731 -12.588 -21.670 1.00 47.32 2 A 1 ATOM 13 O O . LYS A 0 2 . -6.109 -9.682 -20.720 1.00 47.32 2 A 1 ATOM 14 C CG . LYS A 0 2 . -5.227 -14.052 -21.734 1.00 47.32 2 A 1 ATOM 15 C CD . LYS A 0 2 . -6.003 -14.906 -22.754 1.00 47.32 2 A 1 ATOM 16 C CE . LYS A 0 2 . -5.492 -16.356 -22.761 1.00 47.32 2 A 1 ATOM 17 N NZ . LYS A 0 2 . -6.113 -17.168 -23.841 1.00 47.32 2 A 1 ATOM 18 N N . ASN A 0 3 . -3.948 -10.026 -20.152 1.00 47.74 3 A 1 ATOM 19 C CA . ASN A 0 3 . -3.366 -8.683 -20.372 1.00 47.74 3 A 1 ATOM 20 C C . ASN A 0 3 . -3.203 -7.728 -19.171 1.00 47.74 3 A 1 ATOM 21 C CB . ASN A 0 3 . -3.913 -7.963 -21.629 1.00 47.74 3 A 1 ATOM 22 O O . ASN A 0 3 . -2.979 -6.548 -19.398 1.00 47.74 3 A 1 ATOM 23 C CG . ASN A 0 3 . -3.867 -8.768 -22.914 1.00 47.74 3 A 1 ATOM 24 N ND2 . ASN A 0 3 . -4.090 -8.120 -24.031 1.00 47.74 3 A 1 ATOM 25 O OD1 . ASN A 0 3 . -3.625 -9.966 -22.944 1.00 47.74 3 A 1 ATOM 26 N N . LEU A 0 4 . -3.214 -8.189 -17.912 1.00 46.65 4 A 1 ATOM 27 C CA . LEU A 0 4 . -3.018 -7.277 -16.763 1.00 46.65 4 A 1 ATOM 28 C C . LEU A 0 4 . -1.646 -7.316 -16.068 1.00 46.65 4 A 1 ATOM 29 C CB . LEU A 0 4 . -4.221 -7.374 -15.796 1.00 46.65 4 A 1 ATOM 30 O O . LEU A 0 4 . -1.472 -6.580 -15.108 1.00 46.65 4 A 1 ATOM 31 C CG . LEU A 0 4 . -5.058 -6.074 -15.784 1.00 46.65 4 A 1 ATOM 32 C CD1 . LEU A 0 4 . -6.496 -6.381 -15.372 1.00 46.65 4 A 1 ATOM 33 C CD2 . LEU A 0 4 . -4.493 -5.030 -14.821 1.00 46.65 4 A 1 ATOM 34 N N . LEU A 0 5 . -0.658 -8.112 -16.503 1.00 46.23 5 A 1 ATOM 35 C CA . LEU A 0 5 . 0.602 -8.225 -15.735 1.00 46.23 5 A 1 ATOM 36 C C . LEU A 0 5 . 1.915 -8.273 -16.524 1.00 46.23 5 A 1 ATOM 37 C CB . LEU A 0 5 . 0.490 -9.394 -14.732 1.00 46.23 5 A 1 ATOM 38 O O . LEU A 0 5 . 2.964 -8.476 -15.923 1.00 46.23 5 A 1 ATOM 39 C CG . LEU A 0 5 . -0.353 -9.087 -13.479 1.00 46.23 5 A 1 ATOM 40 C CD1 . LEU A 0 5 . -0.430 -10.349 -12.621 1.00 46.23 5 A 1 ATOM 41 C CD2 . LEU A 0 5 . 0.241 -7.969 -12.613 1.00 46.23 5 A 1 ATOM 42 N N . MET A 0 6 . 1.916 -8.043 -17.835 1.00 43.19 6 A 1 ATOM 43 C CA . MET A 0 6 . 3.178 -7.921 -18.567 1.00 43.19 6 A 1 ATOM 44 C C . MET A 0 6 . 3.331 -6.504 -19.114 1.00 43.19 6 A 1 ATOM 45 C CB . MET A 0 6 . 3.301 -9.003 -19.646 1.00 43.19 6 A 1 ATOM 46 O O . MET A 0 6 . 2.499 -6.055 -19.892 1.00 43.19 6 A 1 ATOM 47 C CG . MET A 0 6 . 3.926 -10.312 -19.149 1.00 43.19 6 A 1 ATOM 48 S SD . MET A 0 6 . 4.906 -11.108 -20.455 1.00 43.19 6 A 1 ATOM 49 C CE . MET A 0 6 . 4.756 -12.850 -19.997 1.00 43.19 6 A 1 ATOM 50 N N . PHE A 0 7 . 4.429 -5.852 -18.722 1.00 43.02 7 A 1 ATOM 51 C CA . PHE A 0 7 . 4.956 -4.596 -19.271 1.00 43.02 7 A 1 ATOM 52 C C . PHE A 0 7 . 4.354 -3.276 -18.753 1.00 43.02 7 A 1 ATOM 53 C CB . PHE A 0 7 . 5.052 -4.657 -20.810 1.00 43.02 7 A 1 ATOM 54 O O . PHE A 0 7 . 3.927 -2.446 -19.545 1.00 43.02 7 A 1 ATOM 55 C CG . PHE A 0 7 . 5.748 -5.888 -21.350 1.00 43.02 7 A 1 ATOM 56 C CD1 . PHE A 0 7 . 7.146 -5.994 -21.254 1.00 43.02 7 A 1 ATOM 57 C CD2 . PHE A 0 7 . 5.009 -6.926 -21.946 1.00 43.02 7 A 1 ATOM 58 C CE1 . PHE A 0 7 . 7.800 -7.144 -21.728 1.00 43.02 7 A 1 ATOM 59 C CE2 . PHE A 0 7 . 5.660 -8.087 -22.399 1.00 43.02 7 A 1 ATOM 60 C CZ . PHE A 0 7 . 7.056 -8.197 -22.288 1.00 43.02 7 A 1 ATOM 61 N N . TYR A 0 8 . 4.430 -3.006 -17.441 1.00 49.59 8 A 1 ATOM 62 C CA . TYR A 0 8 . 4.401 -1.607 -16.952 1.00 49.59 8 A 1 ATOM 63 C C . TYR A 0 8 . 5.802 -0.993 -16.768 1.00 49.59 8 A 1 ATOM 64 C CB . TYR A 0 8 . 3.520 -1.448 -15.705 1.00 49.59 8 A 1 ATOM 65 O O . TYR A 0 8 . 5.943 0.165 -16.396 1.00 49.59 8 A 1 ATOM 66 C CG . TYR A 0 8 . 2.823 -0.095 -15.673 1.00 49.59 8 A 1 ATOM 67 C CD1 . TYR A 0 8 . 3.389 1.004 -14.994 1.00 49.59 8 A 1 ATOM 68 C CD2 . TYR A 0 8 . 1.624 0.074 -16.394 1.00 49.59 8 A 1 ATOM 69 C CE1 . TYR A 0 8 . 2.764 2.268 -15.040 1.00 49.59 8 A 1 ATOM 70 C CE2 . TYR A 0 8 . 0.991 1.331 -16.430 1.00 49.59 8 A 1 ATOM 71 O OH . TYR A 0 8 . 0.940 3.639 -15.821 1.00 49.59 8 A 1 ATOM 72 C CZ . TYR A 0 8 . 1.560 2.431 -15.758 1.00 49.59 8 A 1 ATOM 73 N N . ILE A 0 9 . 6.869 -1.742 -17.052 1.00 47.32 9 A 1 ATOM 74 C CA . ILE A 0 9 . 8.237 -1.222 -16.994 1.00 47.32 9 A 1 ATOM 75 C C . ILE A 0 9 . 8.688 -1.008 -18.436 1.00 47.32 9 A 1 ATOM 76 C CB . ILE A 0 9 . 9.178 -2.146 -16.182 1.00 47.32 9 A 1 ATOM 77 O O . ILE A 0 9 . 9.221 -1.921 -19.061 1.00 47.32 9 A 1 ATOM 78 C CG1 . ILE A 0 9 . 8.559 -2.586 -14.832 1.00 47.32 9 A 1 ATOM 79 C CG2 . ILE A 0 9 . 10.510 -1.409 -15.940 1.00 47.32 9 A 1 ATOM 80 C CD1 . ILE A 0 9 . 9.347 -3.704 -14.138 1.00 47.32 9 A 1 ATOM 81 N N . LYS A 0 10 . 8.440 0.179 -18.994 1.00 44.69 10 A 1 ATOM 82 C CA . LYS A 0 10 . 9.137 0.631 -20.201 1.00 44.69 10 A 1 ATOM 83 C C . LYS A 0 10 . 10.239 1.594 -19.755 1.00 44.69 10 A 1 ATOM 84 C CB . LYS A 0 10 . 8.145 1.214 -21.220 1.00 44.69 10 A 1 ATOM 85 O O . LYS A 0 10 . 9.951 2.758 -19.497 1.00 44.69 10 A 1 ATOM 86 C CG . LYS A 0 10 . 8.834 1.467 -22.570 1.00 44.69 10 A 1 ATOM 87 C CD . LYS A 0 10 . 7.816 1.660 -23.700 1.00 44.69 10 A 1 ATOM 88 C CE . LYS A 0 10 . 8.547 1.861 -25.034 1.00 44.69 10 A 1 ATOM 89 N NZ . LYS A 0 10 . 7.623 1.743 -26.187 1.00 44.69 10 A 1 ATOM 90 N N . PRO A 0 11 . 11.489 1.127 -19.604 1.00 50.92 11 A 1 ATOM 91 C CA . PRO A 0 11 . 12.593 1.982 -19.220 1.00 50.92 11 A 1 ATOM 92 C C . PRO A 0 11 . 13.152 2.644 -20.480 1.00 50.92 11 A 1 ATOM 93 C CB . PRO A 0 11 . 13.586 1.045 -18.543 1.00 50.92 11 A 1 ATOM 94 O O . PRO A 0 11 . 14.081 2.140 -21.098 1.00 50.92 11 A 1 ATOM 95 C CG . PRO A 0 11 . 13.413 -0.274 -19.297 1.00 50.92 11 A 1 ATOM 96 C CD . PRO A 0 11 . 11.952 -0.249 -19.744 1.00 50.92 11 A 1 ATOM 97 N N . PHE A 0 12 . 12.566 3.761 -20.890 1.00 46.23 12 A 1 ATOM 98 C CA . PHE A 0 12 . 13.259 4.708 -21.763 1.00 46.23 12 A 1 ATOM 99 C C . PHE A 0 12 . 13.485 6.000 -20.977 1.00 46.23 12 A 1 ATOM 100 C CB . PHE A 0 12 . 12.547 4.861 -23.118 1.00 46.23 12 A 1 ATOM 101 O O . PHE A 0 12 . 13.018 7.067 -21.349 1.00 46.23 12 A 1 ATOM 102 C CG . PHE A 0 12 . 12.965 3.824 -24.150 1.00 46.23 12 A 1 ATOM 103 C CD1 . PHE A 0 12 . 14.120 4.035 -24.928 1.00 46.23 12 A 1 ATOM 104 C CD2 . PHE A 0 12 . 12.206 2.655 -24.343 1.00 46.23 12 A 1 ATOM 105 C CE1 . PHE A 0 12 . 14.504 3.092 -25.898 1.00 46.23 12 A 1 ATOM 106 C CE2 . PHE A 0 12 . 12.586 1.712 -25.316 1.00 46.23 12 A 1 ATOM 107 C CZ . PHE A 0 12 . 13.734 1.933 -26.097 1.00 46.23 12 A 1 ATOM 108 N N . THR A 0 13 . 14.166 5.886 -19.836 1.00 56.30 13 A 1 ATOM 109 C CA . THR A 0 13 . 14.806 7.032 -19.182 1.00 56.30 13 A 1 ATOM 110 C C . THR A 0 13 . 16.268 7.103 -19.621 1.00 56.30 13 A 1 ATOM 111 C CB . THR A 0 13 . 14.679 6.992 -17.651 1.00 56.30 13 A 1 ATOM 112 O O . THR A 0 13 . 16.856 6.057 -19.912 1.00 56.30 13 A 1 ATOM 113 C CG2 . THR A 0 13 . 13.290 7.440 -17.232 1.00 56.30 13 A 1 ATOM 114 O OG1 . THR A 0 13 . 14.860 5.708 -17.091 1.00 56.30 13 A 1 ATOM 115 N N . PRO A 0 14 . 16.856 8.311 -19.715 1.00 58.60 14 A 1 ATOM 116 C CA . PRO A 0 14 . 18.257 8.473 -20.088 1.00 58.60 14 A 1 ATOM 117 C C . PRO A 0 14 . 19.160 7.683 -19.138 1.00 58.60 14 A 1 ATOM 118 C CB . PRO A 0 14 . 18.533 9.981 -20.042 1.00 58.60 14 A 1 ATOM 119 O O . PRO A 0 14 . 18.853 7.541 -17.953 1.00 58.60 14 A 1 ATOM 120 C CG . PRO A 0 14 . 17.477 10.509 -19.073 1.00 58.60 14 A 1 ATOM 121 C CD . PRO A 0 14 . 16.284 9.595 -19.338 1.00 58.60 14 A 1 ATOM 122 N N . ASP A 0 15 . 20.266 7.171 -19.679 1.00 68.05 15 A 1 ATOM 123 C CA . ASP A 0 15 . 21.272 6.425 -18.929 1.00 68.05 15 A 1 ATOM 124 C C . ASP A 0 15 . 21.747 7.265 -17.730 1.00 68.05 15 A 1 ATOM 125 C CB . ASP A 0 15 . 22.417 6.032 -19.885 1.00 68.05 15 A 1 ATOM 126 O O . ASP A 0 15 . 22.460 8.266 -17.877 1.00 68.05 15 A 1 ATOM 127 C CG . ASP A 0 15 . 23.423 5.041 -19.284 1.00 68.05 15 A 1 ATOM 128 O OD1 . ASP A 0 15 . 23.344 4.778 -18.065 1.00 68.05 15 A 1 ATOM 129 O OD2 . ASP A 0 15 . 24.294 4.551 -20.035 1.00 68.05 15 A 1 ATOM 130 N N . CYS A 0 16 . 21.327 6.870 -16.525 1.00 76.75 16 A 1 ATOM 131 C CA . CYS A 0 16 . 21.630 7.608 -15.298 1.00 76.75 16 A 1 ATOM 132 C C . CYS A 0 16 . 23.078 7.434 -14.825 1.00 76.75 16 A 1 ATOM 133 C CB . CYS A 0 16 . 20.577 7.329 -14.228 1.00 76.75 16 A 1 ATOM 134 O O . CYS A 0 16 . 23.457 7.904 -13.755 1.00 76.75 16 A 1 ATOM 135 S SG . CYS A 0 16 . 20.261 5.608 -13.763 1.00 76.75 16 A 1 ATOM 136 N N . LYS A 0 17 . 23.916 6.795 -15.649 1.00 74.43 17 A 1 ATOM 137 C CA . LYS A 0 17 . 25.368 6.752 -15.489 1.00 74.43 17 A 1 ATOM 138 C C . LYS A 0 17 . 26.028 8.125 -15.647 1.00 74.43 17 A 1 ATOM 139 C CB . LYS A 0 17 . 25.886 5.756 -16.528 1.00 74.43 17 A 1 ATOM 140 O O . LYS A 0 17 . 27.057 8.369 -15.022 1.00 74.43 17 A 1 ATOM 141 C CG . LYS A 0 17 . 27.372 5.444 -16.365 1.00 74.43 17 A 1 ATOM 142 C CD . LYS A 0 17 . 27.767 4.434 -17.438 1.00 74.43 17 A 1 ATOM 143 C CE . LYS A 0 17 . 29.248 4.095 -17.301 1.00 74.43 17 A 1 ATOM 144 N NZ . LYS A 0 17 . 29.697 3.322 -18.479 1.00 74.43 17 A 1 ATOM 145 N N . HIS A 0 18 . 25.463 9.003 -16.480 1.00 76.68 18 A 1 ATOM 146 C CA . HIS A 0 18 . 26.044 10.319 -16.787 1.00 76.68 18 A 1 ATOM 147 C C . HIS A 0 18 . 25.165 11.501 -16.367 1.00 76.68 18 A 1 ATOM 148 C CB . HIS A 0 18 . 26.374 10.380 -18.286 1.00 76.68 18 A 1 ATOM 149 O O . HIS A 0 18 . 25.677 12.607 -16.208 1.00 76.68 18 A 1 ATOM 150 C CG . HIS A 0 18 . 27.435 9.386 -18.688 1.00 76.68 18 A 1 ATOM 151 C CD2 . HIS A 0 18 . 27.273 8.253 -19.442 1.00 76.68 18 A 1 ATOM 152 N ND1 . HIS A 0 18 . 28.754 9.433 -18.306 1.00 76.68 18 A 1 ATOM 153 C CE1 . HIS A 0 18 . 29.377 8.364 -18.824 1.00 76.68 18 A 1 ATOM 154 N NE2 . HIS A 0 18 . 28.514 7.600 -19.513 1.00 76.68 18 A 1 ATOM 155 N N . ILE A 0 19 . 23.860 11.283 -16.187 1.00 78.71 19 A 1 ATOM 156 C CA . ILE A 0 19 . 22.888 12.327 -15.849 1.00 78.71 19 A 1 ATOM 157 C C . ILE A 0 19 . 22.164 11.921 -14.566 1.00 78.71 19 A 1 ATOM 158 C CB . ILE A 0 19 . 21.921 12.565 -17.034 1.00 78.71 19 A 1 ATOM 159 O O . ILE A 0 19 . 21.640 10.813 -14.463 1.00 78.71 19 A 1 ATOM 160 C CG1 . ILE A 0 19 . 22.693 13.054 -18.285 1.00 78.71 19 A 1 ATOM 161 C CG2 . ILE A 0 19 . 20.833 13.587 -16.653 1.00 78.71 19 A 1 ATOM 162 C CD1 . ILE A 0 19 . 21.871 13.016 -19.579 1.00 78.71 19 A 1 ATOM 163 N N . SER A 0 20 . 22.122 12.826 -13.589 1.00 78.30 20 A 1 ATOM 164 C CA . SER A 0 20 . 21.356 12.621 -12.359 1.00 78.30 20 A 1 ATOM 165 C C . SER A 0 20 . 19.859 12.545 -12.661 1.00 78.30 20 A 1 ATOM 166 C CB . SER A 0 20 . 21.622 13.746 -11.357 1.00 78.30 20 A 1 ATOM 167 O O . SER A 0 20 . 19.330 13.360 -13.417 1.00 78.30 20 A 1 ATOM 168 O OG . SER A 0 20 . 22.991 13.756 -11.000 1.00 78.30 20 A 1 ATOM 169 N N . CYS A 0 21 . 19.172 11.583 -12.044 1.00 80.48 21 A 1 ATOM 170 C CA . CYS A 0 21 . 17.717 11.480 -12.131 1.00 80.48 21 A 1 ATOM 171 C C . CYS A 0 21 . 17.028 12.713 -11.518 1.00 80.48 21 A 1 ATOM 172 C CB . CYS A 0 21 . 17.248 10.186 -11.457 1.00 80.48 21 A 1 ATOM 173 O O . CYS A 0 21 . 17.598 13.394 -10.662 1.00 80.48 21 A 1 ATOM 174 S SG . CYS A 0 21 . 17.971 8.653 -12.098 1.00 80.48 21 A 1 ATOM 175 N N . GLY A 0 22 . 15.795 12.989 -11.952 1.00 76.68 22 A 1 ATOM 176 C CA . GLY A 0 22 . 14.997 14.104 -11.445 1.00 76.68 22 A 1 ATOM 177 C C . GLY A 0 22 . 14.529 13.914 -9.996 1.00 76.68 22 A 1 ATOM 178 O O . GLY A 0 22 . 14.823 12.920 -9.331 1.00 76.68 22 A 1 ATOM 179 N N . SER A 0 23 . 13.753 14.874 -9.491 1.00 77.80 23 A 1 ATOM 180 C CA . SER A 0 23 . 13.149 14.788 -8.156 1.00 77.80 23 A 1 ATOM 181 C C . SER A 0 23 . 12.255 13.549 -8.020 1.00 77.80 23 A 1 ATOM 182 C CB . SER A 0 23 . 12.319 16.044 -7.881 1.00 77.80 23 A 1 ATOM 183 O O . SER A 0 23 . 11.464 13.266 -8.920 1.00 77.80 23 A 1 ATOM 184 O OG . SER A 0 23 . 11.312 16.190 -8.864 1.00 77.80 23 A 1 ATOM 185 N N . ASN A 0 24 . 12.321 12.861 -6.874 1.00 77.35 24 A 1 ATOM 186 C CA . ASN A 0 24 . 11.566 11.628 -6.591 1.00 77.35 24 A 1 ATOM 187 C C . ASN A 0 24 . 11.910 10.450 -7.520 1.00 77.35 24 A 1 ATOM 188 C CB . ASN A 0 24 . 10.053 11.918 -6.509 1.00 77.35 24 A 1 ATOM 189 O O . ASN A 0 24 . 11.071 9.585 -7.772 1.00 77.35 24 A 1 ATOM 190 C CG . ASN A 0 24 . 9.730 13.025 -5.533 1.00 77.35 24 A 1 ATOM 191 N ND2 . ASN A 0 24 . 8.950 13.998 -5.940 1.00 77.35 24 A 1 ATOM 192 O OD1 . ASN A 0 24 . 10.204 13.051 -4.410 1.00 77.35 24 A 1 ATOM 193 N N . GLN A 0 25 . 13.143 10.402 -8.029 1.00 82.06 25 A 1 ATOM 194 C CA . GLN A 0 25 . 13.652 9.290 -8.828 1.00 82.06 25 A 1 ATOM 195 C C . GLN A 0 25 . 14.957 8.748 -8.251 1.00 82.06 25 A 1 ATOM 196 C CB . GLN A 0 25 . 13.876 9.733 -10.275 1.00 82.06 25 A 1 ATOM 197 O O . GLN A 0 25 . 15.769 9.495 -7.710 1.00 82.06 25 A 1 ATOM 198 C CG . GLN A 0 25 . 12.579 10.097 -10.992 1.00 82.06 25 A 1 ATOM 199 C CD . GLN A 0 25 . 12.807 10.759 -12.344 1.00 82.06 25 A 1 ATOM 200 N NE2 . GLN A 0 25 . 11.752 11.225 -12.960 1.00 82.06 25 A 1 ATOM 201 O OE1 . GLN A 0 25 . 13.912 10.864 -12.859 1.00 82.06 25 A 1 ATOM 202 N N . HIS A 0 26 . 15.181 7.446 -8.416 1.00 85.01 26 A 1 ATOM 203 C CA . HIS A 0 26 . 16.450 6.801 -8.095 1.00 85.01 26 A 1 ATOM 204 C C . HIS A 0 26 . 16.988 6.026 -9.296 1.00 85.01 26 A 1 ATOM 205 C CB . HIS A 0 26 . 16.310 5.927 -6.843 1.00 85.01 26 A 1 ATOM 206 O O . HIS A 0 26 . 16.238 5.419 -10.060 1.00 85.01 26 A 1 ATOM 207 C CG . HIS A 0 26 . 16.312 6.744 -5.575 1.00 85.01 26 A 1 ATOM 208 C CD2 . HIS A 0 26 . 15.221 7.251 -4.921 1.00 85.01 26 A 1 ATOM 209 N ND1 . HIS A 0 26 . 17.427 7.163 -4.883 1.00 85.01 26 A 1 ATOM 210 C CE1 . HIS A 0 26 . 17.016 7.900 -3.837 1.00 85.01 26 A 1 ATOM 211 N NE2 . HIS A 0 26 . 15.676 7.971 -3.812 1.00 85.01 26 A 1 ATOM 212 N N . CYS A 0 27 . 18.309 6.058 -9.456 1.00 85.95 27 A 1 ATOM 213 C CA . CYS A 0 27 . 19.011 5.314 -10.492 1.00 85.95 27 A 1 ATOM 214 C C . CYS A 0 27 . 19.178 3.859 -10.049 1.00 85.95 27 A 1 ATOM 215 C CB . CYS A 0 27 . 20.361 5.992 -10.754 1.00 85.95 27 A 1 ATOM 216 O O . CYS A 0 27 . 19.752 3.591 -8.992 1.00 85.95 27 A 1 ATOM 217 S SG . CYS A 0 27 . 21.354 5.277 -12.088 1.00 85.95 27 A 1 ATOM 218 N N . VAL A 0 28 . 18.686 2.919 -10.853 1.00 87.16 28 A 1 ATOM 219 C CA . VAL A 0 28 . 18.826 1.481 -10.600 1.00 87.16 28 A 1 ATOM 220 C C . VAL A 0 28 . 19.416 0.788 -11.820 1.00 87.16 28 A 1 ATOM 221 C CB . VAL A 0 28 . 17.505 0.826 -10.148 1.00 87.16 28 A 1 ATOM 222 O O . VAL A 0 28 . 19.118 1.141 -12.962 1.00 87.16 28 A 1 ATOM 223 C CG1 . VAL A 0 28 . 17.017 1.425 -8.823 1.00 87.16 28 A 1 ATOM 224 C CG2 . VAL A 0 28 . 16.388 0.938 -11.190 1.00 87.16 28 A 1 ATOM 225 N N . LYS A 0 29 . 20.260 -0.217 -11.578 1.00 85.90 29 A 1 ATOM 226 C CA . LYS A 0 29 . 20.783 -1.090 -12.630 1.00 85.90 29 A 1 ATOM 227 C C . LYS A 0 29 . 19.775 -2.202 -12.889 1.00 85.90 29 A 1 ATOM 228 C CB . LYS A 0 29 . 22.164 -1.621 -12.230 1.00 85.90 29 A 1 ATOM 229 O O . LYS A 0 29 . 19.457 -2.973 -11.986 1.00 85.90 29 A 1 ATOM 230 C CG . LYS A 0 29 . 22.812 -2.408 -13.377 1.00 85.90 29 A 1 ATOM 231 C CD . LYS A 0 29 . 24.213 -2.881 -12.979 1.00 85.90 29 A 1 ATOM 232 C CE . LYS A 0 29 . 24.829 -3.661 -14.142 1.00 85.90 29 A 1 ATOM 233 N NZ . LYS A 0 29 . 26.187 -4.157 -13.815 1.00 85.90 29 A 1 ATOM 234 N N . ASN A 0 30 . 19.270 -2.280 -14.112 1.00 82.30 30 A 1 ATOM 235 C CA . ASN A 0 30 . 18.350 -3.336 -14.507 1.00 82.30 30 A 1 ATOM 236 C C . ASN A 0 30 . 19.090 -4.648 -14.833 1.00 82.30 30 A 1 ATOM 237 C CB . ASN A 0 30 . 17.431 -2.801 -15.617 1.00 82.30 30 A 1 ATOM 238 O O . ASN A 0 30 . 20.319 -4.693 -14.922 1.00 82.30 30 A 1 ATOM 239 C CG . ASN A 0 30 . 18.109 -2.542 -16.947 1.00 82.30 30 A 1 ATOM 240 N ND2 . ASN A 0 30 . 17.501 -1.717 -17.761 1.00 82.30 30 A 1 ATOM 241 O OD1 . ASN A 0 30 . 19.116 -3.126 -17.305 1.00 82.30 30 A 1 ATOM 242 N N . LEU A 0 31 . 18.330 -5.731 -15.027 1.00 81.42 31 A 1 ATOM 243 C CA . LEU A 0 31 . 18.877 -7.068 -15.295 1.00 81.42 31 A 1 ATOM 244 C C . LEU A 0 31 . 19.661 -7.150 -16.619 1.00 81.42 31 A 1 ATOM 245 C CB . LEU A 0 31 . 17.718 -8.086 -15.275 1.00 81.42 31 A 1 ATOM 246 O O . LEU A 0 31 . 20.543 -7.989 -16.756 1.00 81.42 31 A 1 ATOM 247 C CG . LEU A 0 31 . 18.109 -9.438 -14.652 1.00 81.42 31 A 1 ATOM 248 C CD1 . LEU A 0 31 . 18.194 -9.331 -13.126 1.00 81.42 31 A 1 ATOM 249 C CD2 . LEU A 0 31 . 17.054 -10.492 -14.989 1.00 81.42 31 A 1 ATOM 250 N N . ALA A 0 32 . 19.366 -6.258 -17.570 1.00 82.63 32 A 1 ATOM 251 C CA . ALA A 0 32 . 20.101 -6.129 -18.829 1.00 82.63 32 A 1 ATOM 252 C C . ALA A 0 32 . 21.439 -5.379 -18.669 1.00 82.63 32 A 1 ATOM 253 C CB . ALA A 0 32 . 19.182 -5.457 -19.858 1.00 82.63 32 A 1 ATOM 254 O O . ALA A 0 32 . 22.211 -5.287 -19.616 1.00 82.63 32 A 1 ATOM 255 N N . GLY A 0 33 . 21.725 -4.850 -17.475 1.00 80.08 33 A 1 ATOM 256 C CA . GLY A 0 33 . 22.938 -4.099 -17.177 1.00 80.08 33 A 1 ATOM 257 C C . GLY A 0 33 . 22.859 -2.603 -17.476 1.00 80.08 33 A 1 ATOM 258 O O . GLY A 0 33 . 23.844 -1.908 -17.235 1.00 80.08 33 A 1 ATOM 259 N N . ASN A 0 34 . 21.709 -2.101 -17.929 1.00 82.03 34 A 1 ATOM 260 C CA . ASN A 0 34 . 21.501 -0.685 -18.217 1.00 82.03 34 A 1 ATOM 261 C C . ASN A 0 34 . 21.094 0.058 -16.937 1.00 82.03 34 A 1 ATOM 262 C CB . ASN A 0 34 . 20.469 -0.507 -19.348 1.00 82.03 34 A 1 ATOM 263 O O . ASN A 0 34 . 20.368 -0.482 -16.094 1.00 82.03 34 A 1 ATOM 264 C CG . ASN A 0 34 . 20.770 -1.321 -20.597 1.00 82.03 34 A 1 ATOM 265 N ND2 . ASN A 0 34 . 19.769 -1.679 -21.369 1.00 82.03 34 A 1 ATOM 266 O OD1 . ASN A 0 34 . 21.898 -1.642 -20.910 1.00 82.03 34 A 1 ATOM 267 N N . PHE A 0 35 . 21.543 1.303 -16.794 1.00 82.83 35 A 1 ATOM 268 C CA . PHE A 0 35 . 21.155 2.166 -15.683 1.00 82.83 35 A 1 ATOM 269 C C . PHE A 0 35 . 19.932 2.983 -16.082 1.00 82.83 35 A 1 ATOM 270 C CB . PHE A 0 35 . 22.322 3.060 -15.271 1.00 82.83 35 A 1 ATOM 271 O O . PHE A 0 35 . 19.940 3.687 -17.087 1.00 82.83 35 A 1 ATOM 272 C CG . PHE A 0 35 . 23.530 2.319 -14.758 1.00 82.83 35 A 1 ATOM 273 C CD1 . PHE A 0 35 . 23.644 2.050 -13.383 1.00 82.83 35 A 1 ATOM 274 C CD2 . PHE A 0 35 . 24.544 1.916 -15.644 1.00 82.83 35 A 1 ATOM 275 C CE1 . PHE A 0 35 . 24.776 1.380 -12.890 1.00 82.83 35 A 1 ATOM 276 C CE2 . PHE A 0 35 . 25.669 1.231 -15.154 1.00 82.83 35 A 1 ATOM 277 C CZ . PHE A 0 35 . 25.788 0.970 -13.776 1.00 82.83 35 A 1 ATOM 278 N N . THR A 0 36 . 18.863 2.869 -15.302 1.00 80.23 36 A 1 ATOM 279 C CA . THR A 0 36 . 17.578 3.505 -15.604 1.00 80.23 36 A 1 ATOM 280 C C . THR A 0 36 . 17.078 4.254 -14.381 1.00 80.23 36 A 1 ATOM 281 C CB . THR A 0 36 . 16.544 2.468 -16.069 1.00 80.23 36 A 1 ATOM 282 O O . THR A 0 36 . 17.138 3.725 -13.268 1.00 80.23 36 A 1 ATOM 283 C CG2 . THR A 0 36 . 16.980 1.764 -17.357 1.00 80.23 36 A 1 ATOM 284 O OG1 . THR A 0 36 . 16.354 1.454 -15.102 1.00 80.23 36 A 1 ATOM 285 N N . CYS A 0 37 . 16.552 5.461 -14.579 1.00 80.28 37 A 1 ATOM 286 C CA . CYS A 0 37 . 15.843 6.183 -13.528 1.00 80.28 37 A 1 ATOM 287 C C . CYS A 0 37 . 14.460 5.563 -13.324 1.00 80.28 37 A 1 ATOM 288 C CB . CYS A 0 37 . 15.716 7.668 -13.884 1.00 80.28 37 A 1 ATOM 289 O O . CYS A 0 37 . 13.697 5.428 -14.284 1.00 80.28 37 A 1 ATOM 290 S SG . CYS A 0 37 . 17.280 8.559 -14.010 1.00 80.28 37 A 1 ATOM 291 N N . VAL A 0 38 . 14.136 5.221 -12.078 1.00 81.68 38 A 1 ATOM 292 C CA . VAL A 0 38 . 12.802 4.774 -11.658 1.00 81.68 38 A 1 ATOM 293 C C . VAL A 0 38 . 12.211 5.766 -10.664 1.00 81.68 38 A 1 ATOM 294 C CB . VAL A 0 38 . 12.815 3.342 -11.084 1.00 81.68 38 A 1 ATOM 295 O O . VAL A 0 38 . 12.944 6.346 -9.862 1.00 81.68 38 A 1 ATOM 296 C CG1 . VAL A 0 38 . 13.210 2.336 -12.172 1.00 81.68 38 A 1 ATOM 297 C CG2 . VAL A 0 38 . 13.737 3.159 -9.872 1.00 81.68 38 A 1 ATOM 298 N N . CYS A 0 39 . 10.893 5.963 -10.709 1.00 83.17 39 A 1 ATOM 299 C CA . CYS A 0 39 . 10.197 6.747 -9.691 1.00 83.17 39 A 1 ATOM 300 C C . CYS A 0 39 . 10.305 6.059 -8.321 1.00 83.17 39 A 1 ATOM 301 C CB . CYS A 0 39 . 8.725 6.960 -10.073 1.00 83.17 39 A 1 ATOM 302 O O . CYS A 0 39 . 10.336 4.829 -8.226 1.00 83.17 39 A 1 ATOM 303 S SG . CYS A 0 39 . 8.373 7.873 -11.606 1.00 83.17 39 A 1 ATOM 304 N N . SER A 0 40 . 10.349 6.855 -7.255 1.00 82.44 40 A 1 ATOM 305 C CA . SER A 0 40 . 10.245 6.352 -5.889 1.00 82.44 40 A 1 ATOM 306 C C . SER A 0 40 . 8.867 5.733 -5.621 1.00 82.44 40 A 1 ATOM 307 C CB . SER A 0 40 . 10.575 7.464 -4.887 1.00 82.44 40 A 1 ATOM 308 O O . SER A 0 40 . 7.901 5.925 -6.363 1.00 82.44 40 A 1 ATOM 309 O OG . SER A 0 40 . 9.749 8.585 -5.095 1.00 82.44 40 A 1 ATOM 310 N N . VAL A 0 41 . 8.776 4.961 -4.536 1.00 77.21 41 A 1 ATOM 311 C CA . VAL A 0 41 . 7.520 4.337 -4.099 1.00 77.21 41 A 1 ATOM 312 C C . VAL A 0 41 . 6.393 5.375 -4.003 1.00 77.21 41 A 1 ATOM 313 C CB . VAL A 0 41 . 7.700 3.579 -2.767 1.00 77.21 41 A 1 ATOM 314 O O . VAL A 0 41 . 6.607 6.476 -3.509 1.00 77.21 41 A 1 ATOM 315 C CG1 . VAL A 0 41 . 8.590 2.346 -2.973 1.00 77.21 41 A 1 ATOM 316 C CG2 . VAL A 0 41 . 8.314 4.427 -1.643 1.00 77.21 41 A 1 ATOM 317 N N . PHE A 0 42 . 5.197 5.010 -4.480 1.00 75.27 42 A 1 ATOM 318 C CA . PHE A 0 42 . 3.992 5.857 -4.606 1.00 75.27 42 A 1 ATOM 319 C C . PHE A 0 42 . 3.985 6.913 -5.722 1.00 75.27 42 A 1 ATOM 320 C CB . PHE A 0 42 . 3.600 6.492 -3.263 1.00 75.27 42 A 1 ATOM 321 O O . PHE A 0 42 . 2.928 7.496 -5.986 1.00 75.27 42 A 1 ATOM 322 C CG . PHE A 0 42 . 3.578 5.531 -2.097 1.00 75.27 42 A 1 ATOM 323 C CD1 . PHE A 0 42 . 2.532 4.599 -1.993 1.00 75.27 42 A 1 ATOM 324 C CD2 . PHE A 0 42 . 4.596 5.559 -1.125 1.00 75.27 42 A 1 ATOM 325 C CE1 . PHE A 0 42 . 2.499 3.696 -0.918 1.00 75.27 42 A 1 ATOM 326 C CE2 . PHE A 0 42 . 4.567 4.650 -0.053 1.00 75.27 42 A 1 ATOM 327 C CZ . PHE A 0 42 . 3.517 3.721 0.052 1.00 75.27 42 A 1 ATOM 328 N N . PHE A 0 43 . 5.103 7.129 -6.413 1.00 75.77 43 A 1 ATOM 329 C CA . PHE A 0 43 . 5.160 8.023 -7.565 1.00 75.77 43 A 1 ATOM 330 C C . PHE A 0 43 . 5.062 7.221 -8.863 1.00 75.77 43 A 1 ATOM 331 C CB . PHE A 0 43 . 6.408 8.903 -7.500 1.00 75.77 43 A 1 ATOM 332 O O . PHE A 0 43 . 5.699 6.179 -9.016 1.00 75.77 43 A 1 ATOM 333 C CG . PHE A 0 43 . 6.435 9.849 -6.316 1.00 75.77 43 A 1 ATOM 334 C CD1 . PHE A 0 43 . 6.041 11.190 -6.466 1.00 75.77 43 A 1 ATOM 335 C CD2 . PHE A 0 43 . 6.847 9.387 -5.056 1.00 75.77 43 A 1 ATOM 336 C CE1 . PHE A 0 43 . 6.060 12.059 -5.361 1.00 75.77 43 A 1 ATOM 337 C CE2 . PHE A 0 43 . 6.868 10.250 -3.949 1.00 75.77 43 A 1 ATOM 338 C CZ . PHE A 0 43 . 6.476 11.590 -4.102 1.00 75.77 43 A 1 ATOM 339 N N . ALA A 0 44 . 4.250 7.704 -9.799 1.00 75.14 44 A 1 ATOM 340 C CA . ALA A 0 44 . 4.059 7.082 -11.103 1.00 75.14 44 A 1 ATOM 341 C C . ALA A 0 44 . 4.313 8.107 -12.218 1.00 75.14 44 A 1 ATOM 342 C CB . ALA A 0 44 . 2.652 6.475 -11.174 1.00 75.14 44 A 1 ATOM 343 O O . ALA A 0 44 . 4.060 9.297 -12.010 1.00 75.14 44 A 1 ATOM 344 N N . PRO A 0 45 . 4.811 7.667 -13.389 1.00 71.08 45 A 1 ATOM 345 C CA . PRO A 0 45 . 4.864 8.529 -14.560 1.00 71.08 45 A 1 ATOM 346 C C . PRO A 0 45 . 3.436 8.836 -15.032 1.00 71.08 45 A 1 ATOM 347 C CB . PRO A 0 45 . 5.681 7.747 -15.594 1.00 71.08 45 A 1 ATOM 348 O O . PRO A 0 45 . 2.632 7.919 -15.201 1.00 71.08 45 A 1 ATOM 349 C CG . PRO A 0 45 . 5.420 6.283 -15.236 1.00 71.08 45 A 1 ATOM 350 C CD . PRO A 0 45 . 5.249 6.315 -13.718 1.00 71.08 45 A 1 ATOM 351 N N . GLU A 0 46 . 3.123 10.119 -15.226 1.00 66.76 46 A 1 ATOM 352 C CA . GLU A 0 46 . 1.827 10.565 -15.765 1.00 66.76 46 A 1 ATOM 353 C C . GLU A 0 46 . 1.707 10.253 -17.262 1.00 66.76 46 A 1 ATOM 354 C CB . GLU A 0 46 . 1.678 12.070 -15.484 1.00 66.76 46 A 1 ATOM 355 O O . GLU A 0 46 . 0.687 9.741 -17.719 1.00 66.76 46 A 1 ATOM 356 C CG . GLU A 0 46 . 0.309 12.638 -15.894 1.00 66.76 46 A 1 ATOM 357 C CD . GLU A 0 46 . 0.127 14.116 -15.498 1.00 66.76 46 A 1 ATOM 358 O OE1 . GLU A 0 46 . -0.853 14.723 -15.983 1.00 66.76 46 A 1 ATOM 359 O OE2 . GLU A 0 46 . 0.937 14.626 -14.686 1.00 66.76 46 A 1 ATOM 360 N N . ASN A 0 47 . 2.788 10.489 -18.007 1.00 64.94 47 A 1 ATOM 361 C CA . ASN A 0 47 . 2.857 10.249 -19.441 1.00 64.94 47 A 1 ATOM 362 C C . ASN A 0 47 . 3.783 9.064 -19.725 1.00 64.94 47 A 1 ATOM 363 C CB . ASN A 0 47 . 3.268 11.549 -20.152 1.00 64.94 47 A 1 ATOM 364 O O . ASN A 0 47 . 4.911 9.006 -19.235 1.00 64.94 47 A 1 ATOM 365 C CG . ASN A 0 47 . 2.239 12.641 -19.908 1.00 64.94 47 A 1 ATOM 366 N ND2 . ASN A 0 47 . 2.594 13.710 -19.233 1.00 64.94 47 A 1 ATOM 367 O OD1 . ASN A 0 47 . 1.087 12.520 -20.280 1.00 64.94 47 A 1 ATOM 368 N N . LEU A 0 48 . 3.304 8.119 -20.539 1.00 63.59 48 A 1 ATOM 369 C CA . LEU A 0 48 . 4.117 7.020 -21.078 1.00 63.59 48 A 1 ATOM 370 C C . LEU A 0 48 . 4.918 7.451 -22.320 1.00 63.59 48 A 1 ATOM 371 C CB . LEU A 0 48 . 3.234 5.788 -21.371 1.00 63.59 48 A 1 ATOM 372 O O . LEU A 0 48 . 5.578 6.617 -22.949 1.00 63.59 48 A 1 ATOM 373 C CG . LEU A 0 48 . 2.987 4.881 -20.153 1.00 63.59 48 A 1 ATOM 374 C CD1 . LEU A 0 48 . 1.973 5.466 -19.171 1.00 63.59 48 A 1 ATOM 375 C CD2 . LEU A 0 48 . 2.463 3.523 -20.627 1.00 63.59 48 A 1 ATOM 376 N N . ASP A 0 49 . 4.846 8.731 -22.687 1.00 63.16 49 A 1 ATOM 377 C CA . ASP A 0 49 . 5.518 9.248 -23.866 1.00 63.16 49 A 1 ATOM 378 C C . ASP A 0 49 . 7.036 9.287 -23.650 1.00 63.16 49 A 1 ATOM 379 C CB . ASP A 0 49 . 4.969 10.622 -24.263 1.00 63.16 49 A 1 ATOM 380 O O . ASP A 0 49 . 7.518 9.941 -22.724 1.00 63.16 49 A 1 ATOM 381 C CG . ASP A 0 49 . 3.569 10.520 -24.873 1.00 63.16 49 A 1 ATOM 382 O OD1 . ASP A 0 49 . 3.329 9.540 -25.615 1.00 63.16 49 A 1 ATOM 383 O OD2 . ASP A 0 49 . 2.763 11.429 -24.592 1.00 63.16 49 A 1 ATOM 384 N N . PRO A 0 50 . 7.823 8.627 -24.520 1.00 57.30 50 A 1 ATOM 385 C CA . PRO A 0 50 . 9.278 8.555 -24.384 1.00 57.30 50 A 1 ATOM 386 C C . PRO A 0 50 . 9.976 9.899 -24.638 1.00 57.30 50 A 1 ATOM 387 C CB . PRO A 0 50 . 9.703 7.506 -25.418 1.00 57.30 50 A 1 ATOM 388 O O . PRO A 0 50 . 11.165 10.037 -24.370 1.00 57.30 50 A 1 ATOM 389 C CG . PRO A 0 50 . 8.642 7.635 -26.512 1.00 57.30 50 A 1 ATOM 390 C CD . PRO A 0 50 . 7.378 7.927 -25.716 1.00 57.30 50 A 1 ATOM 391 N N . SER A 0 51 . 9.263 10.871 -25.208 1.00 53.88 51 A 1 ATOM 392 C CA . SER A 0 51 . 9.773 12.196 -25.567 1.00 53.88 51 A 1 ATOM 393 C C . SER A 0 51 . 9.610 13.241 -24.462 1.00 53.88 51 A 1 ATOM 394 C CB . SER A 0 51 . 9.083 12.663 -26.855 1.00 53.88 51 A 1 ATOM 395 O O . SER A 0 51 . 10.158 14.334 -24.589 1.00 53.88 51 A 1 ATOM 396 O OG . SER A 0 51 . 7.694 12.374 -26.835 1.00 53.88 51 A 1 ATOM 397 N N . VAL A 0 52 . 8.857 12.939 -23.402 1.00 58.20 52 A 1 ATOM 398 C CA . VAL A 0 52 . 8.584 13.873 -22.302 1.00 58.20 52 A 1 ATOM 399 C C . VAL A 0 52 . 9.433 13.459 -21.094 1.00 58.20 52 A 1 ATOM 400 C CB . VAL A 0 52 . 7.073 13.924 -21.988 1.00 58.20 52 A 1 ATOM 401 O O . VAL A 0 52 . 9.530 12.261 -20.816 1.00 58.20 52 A 1 ATOM 402 C CG1 . VAL A 0 52 . 6.716 14.981 -20.935 1.00 58.20 52 A 1 ATOM 403 C CG2 . VAL A 0 52 . 6.264 14.270 -23.249 1.00 58.20 52 A 1 ATOM 404 N N . PRO A 0 53 . 10.085 14.395 -20.373 1.00 60.91 53 A 1 ATOM 405 C CA . PRO A 0 53 . 10.758 14.059 -19.121 1.00 60.91 53 A 1 ATOM 406 C C . PRO A 0 53 . 9.778 13.335 -18.192 1.00 60.91 53 A 1 ATOM 407 C CB . PRO A 0 53 . 11.245 15.390 -18.533 1.00 60.91 53 A 1 ATOM 408 O O . PRO A 0 53 . 8.636 13.762 -18.036 1.00 60.91 53 A 1 ATOM 409 C CG . PRO A 0 53 . 10.328 16.429 -19.179 1.00 60.91 53 A 1 ATOM 410 C CD . PRO A 0 53 . 10.077 15.839 -20.563 1.00 60.91 53 A 1 ATOM 411 N N . LEU A 0 54 . 10.213 12.221 -17.593 1.00 62.68 54 A 1 ATOM 412 C CA . LEU A 0 54 . 9.393 11.498 -16.624 1.00 62.68 54 A 1 ATOM 413 C C . LEU A 0 54 . 9.101 12.418 -15.433 1.00 62.68 54 A 1 ATOM 414 C CB . LEU A 0 54 . 10.079 10.192 -16.160 1.00 62.68 54 A 1 ATOM 415 O O . LEU A 0 54 . 9.931 12.567 -14.539 1.00 62.68 54 A 1 ATOM 416 C CG . LEU A 0 54 . 9.539 8.927 -16.845 1.00 62.68 54 A 1 ATOM 417 C CD1 . LEU A 0 54 . 10.004 8.807 -18.295 1.00 62.68 54 A 1 ATOM 418 C CD2 . LEU A 0 54 . 9.971 7.699 -16.039 1.00 62.68 54 A 1 ATOM 419 N N . ASP A 0 55 . 7.910 13.000 -15.399 1.00 68.35 55 A 1 ATOM 420 C CA . ASP A 0 55 . 7.397 13.675 -14.217 1.00 68.35 55 A 1 ATOM 421 C C . ASP A 0 55 . 6.800 12.621 -13.286 1.00 68.35 55 A 1 ATOM 422 C CB . ASP A 0 55 . 6.406 14.782 -14.602 1.00 68.35 55 A 1 ATOM 423 O O . ASP A 0 55 . 5.685 12.130 -13.468 1.00 68.35 55 A 1 ATOM 424 C CG . ASP A 0 55 . 7.106 16.066 -15.061 1.00 68.35 55 A 1 ATOM 425 O OD1 . ASP A 0 55 . 8.122 16.430 -14.424 1.00 68.35 55 A 1 ATOM 426 O OD2 . ASP A 0 55 . 6.551 16.742 -15.950 1.00 68.35 55 A 1 ATOM 427 N N . CYS A 0 56 . 7.580 12.234 -12.277 1.00 74.29 56 A 1 ATOM 428 C CA . CYS A 0 56 . 7.107 11.366 -11.207 1.00 74.29 56 A 1 ATOM 429 C C . CYS A 0 56 . 6.173 12.180 -10.305 1.00 74.29 56 A 1 ATOM 430 C CB . CYS A 0 56 . 8.310 10.784 -10.454 1.00 74.29 56 A 1 ATOM 431 O O . CYS A 0 56 . 6.618 12.932 -9.431 1.00 74.29 56 A 1 ATOM 432 S SG . CYS A 0 56 . 9.341 9.659 -11.429 1.00 74.29 56 A 1 ATOM 433 N N . ARG A 0 57 . 4.863 12.043 -10.522 1.00 77.14 57 A 1 ATOM 434 C CA . ARG A 0 57 . 3.823 12.659 -9.692 1.00 77.14 57 A 1 ATOM 435 C C . ARG A 0 57 . 3.218 11.625 -8.753 1.00 77.14 57 A 1 ATOM 436 C CB . ARG A 0 57 . 2.765 13.345 -10.580 1.00 77.14 57 A 1 ATOM 437 O O . ARG A 0 57 . 3.248 10.420 -9.009 1.00 77.14 57 A 1 ATOM 438 C CG . ARG A 0 57 . 3.290 14.569 -11.352 1.00 77.14 57 A 1 ATOM 439 C CD . ARG A 0 57 . 3.654 15.744 -10.432 1.00 77.14 57 A 1 ATOM 440 N NE . ARG A 0 57 . 4.111 16.906 -11.213 1.00 77.14 57 A 1 ATOM 441 N NH1 . ARG A 0 57 . 5.136 18.075 -9.518 1.00 77.14 57 A 1 ATOM 442 N NH2 . ARG A 0 57 . 5.242 18.836 -11.616 1.00 77.14 57 A 1 ATOM 443 C CZ . ARG A 0 57 . 4.821 17.932 -10.778 1.00 77.14 57 A 1 ATOM 444 N N . PHE A 0 58 . 2.687 12.106 -7.633 1.00 79.10 58 A 1 ATOM 445 C CA . PHE A 0 58 . 1.898 11.256 -6.752 1.00 79.10 58 A 1 ATOM 446 C C . PHE A 0 58 . 0.647 10.807 -7.507 1.00 79.10 58 A 1 ATOM 447 C CB . PHE A 0 58 . 1.538 12.007 -5.469 1.00 79.10 58 A 1 ATOM 448 O O . PHE A 0 58 . -0.095 11.644 -8.025 1.00 79.10 58 A 1 ATOM 449 C CG . PHE A 0 58 . 0.868 11.116 -4.444 1.00 79.10 58 A 1 ATOM 450 C CD1 . PHE A 0 58 . -0.514 11.213 -4.193 1.00 79.10 58 A 1 ATOM 451 C CD2 . PHE A 0 58 . 1.644 10.185 -3.729 1.00 79.10 58 A 1 ATOM 452 C CE1 . PHE A 0 58 . -1.099 10.398 -3.206 1.00 79.10 58 A 1 ATOM 453 C CE2 . PHE A 0 58 . 1.048 9.362 -2.760 1.00 79.10 58 A 1 ATOM 454 C CZ . PHE A 0 58 . -0.326 9.465 -2.500 1.00 79.10 58 A 1 ATOM 455 N N . SER A 0 59 . 0.422 9.496 -7.589 1.00 82.22 59 A 1 ATOM 456 C CA . SER A 0 59 . -0.714 8.971 -8.343 1.00 82.22 59 A 1 ATOM 457 C C . SER A 0 59 . -2.027 9.341 -7.656 1.00 82.22 59 A 1 ATOM 458 C CB . SER A 0 59 . -0.592 7.461 -8.525 1.00 82.22 59 A 1 ATOM 459 O O . SER A 0 59 . -2.308 8.904 -6.536 1.00 82.22 59 A 1 ATOM 460 O OG . SER A 0 59 . -1.717 6.977 -9.234 1.00 82.22 59 A 1 ATOM 461 N N . TRP A 0 60 . -2.866 10.115 -8.349 1.00 85.69 60 A 1 ATOM 462 C CA . TRP A 0 60 . -4.208 10.462 -7.873 1.00 85.69 60 A 1 ATOM 463 C C . TRP A 0 60 . -5.062 9.213 -7.656 1.00 85.69 60 A 1 ATOM 464 C CB . TRP A 0 60 . -4.892 11.384 -8.886 1.00 85.69 60 A 1 ATOM 465 O O . TRP A 0 60 . -5.893 9.185 -6.754 1.00 85.69 60 A 1 ATOM 466 C CG . TRP A 0 60 . -4.281 12.734 -9.110 1.00 85.69 60 A 1 ATOM 467 C CD1 . TRP A 0 60 . -3.115 13.204 -8.601 1.00 85.69 60 A 1 ATOM 468 C CD2 . TRP A 0 60 . -4.818 13.817 -9.929 1.00 85.69 60 A 1 ATOM 469 C CE2 . TRP A 0 60 . -3.915 14.919 -9.872 1.00 85.69 60 A 1 ATOM 470 C CE3 . TRP A 0 60 . -5.978 13.975 -10.719 1.00 85.69 60 A 1 ATOM 471 N NE1 . TRP A 0 60 . -2.893 14.486 -9.058 1.00 85.69 60 A 1 ATOM 472 C CH2 . TRP A 0 60 . -5.305 16.241 -11.341 1.00 85.69 60 A 1 ATOM 473 C CZ2 . TRP A 0 60 . -4.143 16.117 -10.562 1.00 85.69 60 A 1 ATOM 474 C CZ3 . TRP A 0 60 . -6.218 15.174 -11.417 1.00 85.69 60 A 1 ATOM 475 N N . VAL A 0 61 . -4.812 8.152 -8.429 1.00 86.22 61 A 1 ATOM 476 C CA . VAL A 0 61 . -5.486 6.857 -8.284 1.00 86.22 61 A 1 ATOM 477 C C . VAL A 0 61 . -5.178 6.237 -6.923 1.00 86.22 61 A 1 ATOM 478 C CB . VAL A 0 61 . -5.073 5.895 -9.414 1.00 86.22 61 A 1 ATOM 479 O O . VAL A 0 61 . -6.095 5.797 -6.233 1.00 86.22 61 A 1 ATOM 480 C CG1 . VAL A 0 61 . -5.822 4.561 -9.317 1.00 86.22 61 A 1 ATOM 481 C CG2 . VAL A 0 61 . -5.353 6.501 -10.796 1.00 86.22 61 A 1 ATOM 482 N N . THR A 0 62 . -3.909 6.247 -6.502 1.00 85.90 62 A 1 ATOM 483 C CA . THR A 0 62 . -3.507 5.746 -5.179 1.00 85.90 62 A 1 ATOM 484 C C . THR A 0 62 . -4.153 6.566 -4.068 1.00 85.90 62 A 1 ATOM 485 C CB . THR A 0 62 . -1.982 5.770 -5.010 1.00 85.90 62 A 1 ATOM 486 O O . THR A 0 62 . -4.651 5.990 -3.104 1.00 85.90 62 A 1 ATOM 487 C CG2 . THR A 0 62 . -1.523 5.078 -3.726 1.00 85.90 62 A 1 ATOM 488 O OG1 . THR A 0 62 . -1.371 5.077 -6.073 1.00 85.90 62 A 1 ATOM 489 N N . LEU A 0 63 . -4.205 7.894 -4.221 1.00 88.66 63 A 1 ATOM 490 C CA . LEU A 0 63 . -4.886 8.783 -3.276 1.00 88.66 63 A 1 ATOM 491 C C . LEU A 0 63 . -6.355 8.384 -3.110 1.00 88.66 63 A 1 ATOM 492 C CB . LEU A 0 63 . -4.761 10.240 -3.767 1.00 88.66 63 A 1 ATOM 493 O O . LEU A 0 63 . -6.816 8.147 -1.996 1.00 88.66 63 A 1 ATOM 494 C CG . LEU A 0 63 . -4.996 11.283 -2.657 1.00 88.66 63 A 1 ATOM 495 C CD1 . LEU A 0 63 . -4.368 12.619 -3.051 1.00 88.66 63 A 1 ATOM 496 C CD2 . LEU A 0 63 . -6.483 11.542 -2.406 1.00 88.66 63 A 1 ATOM 497 N N . LEU A 0 64 . -7.072 8.279 -4.230 1.00 93.26 64 A 1 ATOM 498 C CA . LEU A 0 64 . -8.497 7.963 -4.269 1.00 93.26 64 A 1 ATOM 499 C C . LEU A 0 64 . -8.764 6.587 -3.645 1.00 93.26 64 A 1 ATOM 500 C CB . LEU A 0 64 . -8.960 8.055 -5.739 1.00 93.26 64 A 1 ATOM 501 O O . LEU A 0 64 . -9.654 6.443 -2.811 1.00 93.26 64 A 1 ATOM 502 C CG . LEU A 0 64 . -10.349 8.680 -5.935 1.00 93.26 64 A 1 ATOM 503 C CD1 . LEU A 0 64 . -10.590 8.906 -7.428 1.00 93.26 64 A 1 ATOM 504 C CD2 . LEU A 0 64 . -11.473 7.808 -5.384 1.00 93.26 64 A 1 ATOM 505 N N . LEU A 0 65 . -7.938 5.594 -3.980 1.00 92.79 65 A 1 ATOM 506 C CA . LEU A 0 65 . -8.024 4.243 -3.437 1.00 92.79 65 A 1 ATOM 507 C C . LEU A 0 65 . -7.858 4.230 -1.911 1.00 92.79 65 A 1 ATOM 508 C CB . LEU A 0 65 . -6.957 3.389 -4.144 1.00 92.79 65 A 1 ATOM 509 O O . LEU A 0 65 . -8.685 3.650 -1.210 1.00 92.79 65 A 1 ATOM 510 C CG . LEU A 0 65 . -7.053 1.887 -3.847 1.00 92.79 65 A 1 ATOM 511 C CD1 . LEU A 0 65 . -8.360 1.305 -4.397 1.00 92.79 65 A 1 ATOM 512 C CD2 . LEU A 0 65 . -5.871 1.151 -4.474 1.00 92.79 65 A 1 ATOM 513 N N . VAL A 0 66 . -6.828 4.908 -1.392 1.00 94.49 66 A 1 ATOM 514 C CA . VAL A 0 66 . -6.580 5.036 0.055 1.00 94.49 66 A 1 ATOM 515 C C . VAL A 0 66 . -7.755 5.720 0.751 1.00 94.49 66 A 1 ATOM 516 C CB . VAL A 0 66 . -5.264 5.799 0.316 1.00 94.49 66 A 1 ATOM 517 O O . VAL A 0 66 . -8.179 5.268 1.816 1.00 94.49 66 A 1 ATOM 518 C CG1 . VAL A 0 66 . -5.068 6.171 1.793 1.00 94.49 66 A 1 ATOM 519 C CG2 . VAL A 0 66 . -4.056 4.944 -0.092 1.00 94.49 66 A 1 ATOM 520 N N . LEU A 0 67 . -8.320 6.766 0.145 1.00 96.45 67 A 1 ATOM 521 C CA . LEU A 0 67 . -9.477 7.483 0.681 1.00 96.45 67 A 1 ATOM 522 C C . LEU A 0 67 . -10.702 6.566 0.804 1.00 96.45 67 A 1 ATOM 523 C CB . LEU A 0 67 . -9.774 8.709 -0.210 1.00 96.45 67 A 1 ATOM 524 O O . LEU A 0 67 . -11.312 6.488 1.869 1.00 96.45 67 A 1 ATOM 525 C CG . LEU A 0 67 . -9.750 10.035 0.563 1.00 96.45 67 A 1 ATOM 526 C CD1 . LEU A 0 67 . -9.854 11.204 -0.415 1.00 96.45 67 A 1 ATOM 527 C CD2 . LEU A 0 67 . -10.913 10.137 1.552 1.00 96.45 67 A 1 ATOM 528 N N . ILE A 0 68 . -11.025 5.825 -0.258 1.00 97.47 68 A 1 ATOM 529 C CA . ILE A 0 68 . -12.159 4.892 -0.286 1.00 97.47 68 A 1 ATOM 530 C C . ILE A 0 68 . -11.966 3.750 0.715 1.00 97.47 68 A 1 ATOM 531 C CB . ILE A 0 68 . -12.380 4.369 -1.722 1.00 97.47 68 A 1 ATOM 532 O O . ILE A 0 68 . -12.885 3.454 1.476 1.00 97.47 68 A 1 ATOM 533 C CG1 . ILE A 0 68 . -12.812 5.497 -2.689 1.00 97.47 68 A 1 ATOM 534 C CG2 . ILE A 0 68 . -13.400 3.217 -1.769 1.00 97.47 68 A 1 ATOM 535 C CD1 . ILE A 0 68 . -14.186 6.128 -2.431 1.00 97.47 68 A 1 ATOM 536 N N . PHE A 0 69 . -10.781 3.137 0.777 1.00 97.32 69 A 1 ATOM 537 C CA . PHE A 0 69 . -10.496 2.097 1.772 1.00 97.32 69 A 1 ATOM 538 C C . PHE A 0 69 . -10.605 2.624 3.207 1.00 97.32 69 A 1 ATOM 539 C CB . PHE A 0 69 . -9.104 1.496 1.536 1.00 97.32 69 A 1 ATOM 540 O O . PHE A 0 69 . -11.156 1.946 4.077 1.00 97.32 69 A 1 ATOM 541 C CG . PHE A 0 69 . -9.091 0.352 0.544 1.00 97.32 69 A 1 ATOM 542 C CD1 . PHE A 0 69 . -9.727 -0.861 0.862 1.00 97.32 69 A 1 ATOM 543 C CD2 . PHE A 0 69 . -8.395 0.469 -0.669 1.00 97.32 69 A 1 ATOM 544 C CE1 . PHE A 0 69 . -9.691 -1.939 -0.040 1.00 97.32 69 A 1 ATOM 545 C CE2 . PHE A 0 69 . -8.347 -0.613 -1.565 1.00 97.32 69 A 1 ATOM 546 C CZ . PHE A 0 69 . -9.008 -1.812 -1.261 1.00 97.32 69 A 1 ATOM 547 N N . SER A 0 70 . -10.139 3.848 3.454 1.00 97.46 70 A 1 ATOM 548 C CA . SER A 0 70 . -10.257 4.494 4.764 1.00 97.46 70 A 1 ATOM 549 C C . SER A 0 70 . -11.725 4.731 5.133 1.00 97.46 70 A 1 ATOM 550 C CB . SER A 0 70 . -9.478 5.810 4.792 1.00 97.46 70 A 1 ATOM 551 O O . SER A 0 70 . -12.154 4.365 6.222 1.00 97.46 70 A 1 ATOM 552 O OG . SER A 0 70 . -8.115 5.575 4.500 1.00 97.46 70 A 1 ATOM 553 N N . LEU A 0 71 . -12.535 5.247 4.208 1.00 97.47 71 A 1 ATOM 554 C CA . LEU A 0 71 . -13.976 5.435 4.410 1.00 97.47 71 A 1 ATOM 555 C C . LEU A 0 71 . -14.709 4.114 4.680 1.00 97.47 71 A 1 ATOM 556 C CB . LEU A 0 71 . -14.550 6.134 3.167 1.00 97.47 71 A 1 ATOM 557 O O . LEU A 0 71 . -15.500 4.033 5.619 1.00 97.47 71 A 1 ATOM 558 C CG . LEU A 0 71 . -14.321 7.655 3.185 1.00 97.47 71 A 1 ATOM 559 C CD1 . LEU A 0 71 . -14.322 8.216 1.765 1.00 97.47 71 A 1 ATOM 560 C CD2 . LEU A 0 71 . -15.433 8.353 3.973 1.00 97.47 71 A 1 ATOM 561 N N . LEU A 0 72 . -14.426 3.071 3.895 1.00 97.64 72 A 1 ATOM 562 C CA . LEU A 0 72 . -15.028 1.746 4.069 1.00 97.64 72 A 1 ATOM 563 C C . LEU A 0 72 . -14.658 1.130 5.420 1.00 97.64 72 A 1 ATOM 564 C CB . LEU A 0 72 . -14.585 0.823 2.921 1.00 97.64 72 A 1 ATOM 565 O O . LEU A 0 72 . -15.532 0.625 6.119 1.00 97.64 72 A 1 ATOM 566 C CG . LEU A 0 72 . -15.247 1.132 1.567 1.00 97.64 72 A 1 ATOM 567 C CD1 . LEU A 0 72 . -14.573 0.301 0.475 1.00 97.64 72 A 1 ATOM 568 C CD2 . LEU A 0 72 . -16.742 0.802 1.568 1.00 97.64 72 A 1 ATOM 569 N N . SER A 0 73 . -13.386 1.208 5.814 1.00 97.85 73 A 1 ATOM 570 C CA . SER A 0 73 . -12.939 0.700 7.114 1.00 97.85 73 A 1 ATOM 571 C C . SER A 0 73 . -13.597 1.445 8.277 1.00 97.85 73 A 1 ATOM 572 C CB . SER A 0 73 . -11.413 0.712 7.232 1.00 97.85 73 A 1 ATOM 573 O O . SER A 0 73 . -14.134 0.795 9.168 1.00 97.85 73 A 1 ATOM 574 O OG . SER A 0 73 . -10.887 2.010 7.101 1.00 97.85 73 A 1 ATOM 575 N N . ILE A 0 74 . -13.665 2.780 8.244 1.00 97.83 74 A 1 ATOM 576 C CA . ILE A 0 74 . -14.363 3.577 9.265 1.00 97.83 74 A 1 ATOM 577 C C . ILE A 0 74 . -15.845 3.195 9.335 1.00 97.83 74 A 1 ATOM 578 C CB . ILE A 0 74 . -14.173 5.086 8.992 1.00 97.83 74 A 1 ATOM 579 O O . ILE A 0 74 . -16.366 2.961 10.425 1.00 97.83 74 A 1 ATOM 580 C CG1 . ILE A 0 74 . -12.701 5.487 9.241 1.00 97.83 74 A 1 ATOM 581 C CG2 . ILE A 0 74 . -15.103 5.938 9.879 1.00 97.83 74 A 1 ATOM 582 C CD1 . ILE A 0 74 . -12.341 6.872 8.686 1.00 97.83 74 A 1 ATOM 583 N N . ALA A 0 75 . -16.520 3.073 8.189 1.00 97.45 75 A 1 ATOM 584 C CA . ALA A 0 75 . -17.914 2.646 8.143 1.00 97.45 75 A 1 ATOM 585 C C . ALA A 0 75 . -18.101 1.251 8.763 1.00 97.45 75 A 1 ATOM 586 C CB . ALA A 0 75 . -18.400 2.700 6.691 1.00 97.45 75 A 1 ATOM 587 O O . ALA A 0 75 . -19.007 1.065 9.575 1.00 97.45 75 A 1 ATOM 588 N N . CYS A 0 76 . -17.226 0.289 8.449 1.00 97.34 76 A 1 ATOM 589 C CA . CYS A 0 76 . -17.241 -1.044 9.056 1.00 97.34 76 A 1 ATOM 590 C C . CYS A 0 76 . -17.041 -0.991 10.576 1.00 97.34 76 A 1 ATOM 591 C CB . CYS A 0 76 . -16.163 -1.922 8.405 1.00 97.34 76 A 1 ATOM 592 O O . CYS A 0 76 . -17.783 -1.645 11.305 1.00 97.34 76 A 1 ATOM 593 S SG . CYS A 0 76 . -16.656 -2.410 6.728 1.00 97.34 76 A 1 ATOM 594 N N . ILE A 0 77 . -16.085 -0.198 11.066 1.00 97.44 77 A 1 ATOM 595 C CA . ILE A 0 77 . -15.834 -0.044 12.505 1.00 97.44 77 A 1 ATOM 596 C C . ILE A 0 77 . -17.053 0.560 13.212 1.00 97.44 77 A 1 ATOM 597 C CB . ILE A 0 77 . -14.542 0.773 12.739 1.00 97.44 77 A 1 ATOM 598 O O . ILE A 0 77 . -17.489 0.022 14.228 1.00 97.44 77 A 1 ATOM 599 C CG1 . ILE A 0 77 . -13.272 0.038 12.247 1.00 97.44 77 A 1 ATOM 600 C CG2 . ILE A 0 77 . -14.371 1.152 14.220 1.00 97.44 77 A 1 ATOM 601 C CD1 . ILE A 0 77 . -12.963 -1.309 12.912 1.00 97.44 77 A 1 ATOM 602 N N . ILE A 0 78 . -17.663 1.612 12.659 1.00 97.25 78 A 1 ATOM 603 C CA . ILE A 0 78 . -18.883 2.218 13.216 1.00 97.25 78 A 1 ATOM 604 C C . ILE A 0 78 . -20.026 1.198 13.248 1.00 97.25 78 A 1 ATOM 605 C CB . ILE A 0 78 . -19.273 3.485 12.422 1.00 97.25 78 A 1 ATOM 606 O O . ILE A 0 78 . -20.705 1.069 14.266 1.00 97.25 78 A 1 ATOM 607 C CG1 . ILE A 0 78 . -18.212 4.591 12.633 1.00 97.25 78 A 1 ATOM 608 C CG2 . ILE A 0 78 . -20.661 4.007 12.849 1.00 97.25 78 A 1 ATOM 609 C CD1 . ILE A 0 78 . -18.360 5.775 11.670 1.00 97.25 78 A 1 ATOM 610 N N . TRP A 0 79 . -20.221 0.434 12.171 1.00 96.84 79 A 1 ATOM 611 C CA . TRP A 0 79 . -21.233 -0.622 12.116 1.00 96.84 79 A 1 ATOM 612 C C . TRP A 0 79 . -21.027 -1.690 13.190 1.00 96.84 79 A 1 ATOM 613 C CB . TRP A 0 79 . -21.245 -1.259 10.722 1.00 96.84 79 A 1 ATOM 614 O O . TRP A 0 79 . -21.989 -2.073 13.855 1.00 96.84 79 A 1 ATOM 615 C CG . TRP A 0 79 . -22.277 -0.684 9.811 1.00 96.84 79 A 1 ATOM 616 C CD1 . TRP A 0 79 . -22.070 0.199 8.809 1.00 96.84 79 A 1 ATOM 617 C CD2 . TRP A 0 79 . -23.708 -0.953 9.821 1.00 96.84 79 A 1 ATOM 618 C CE2 . TRP A 0 79 . -24.315 -0.199 8.774 1.00 96.84 79 A 1 ATOM 619 C CE3 . TRP A 0 79 . -24.550 -1.767 10.609 1.00 96.84 79 A 1 ATOM 620 N NE1 . TRP A 0 79 . -23.272 0.491 8.195 1.00 96.84 79 A 1 ATOM 621 C CH2 . TRP A 0 79 . -26.501 -1.087 9.306 1.00 96.84 79 A 1 ATOM 622 C CZ2 . TRP A 0 79 . -25.691 -0.257 8.512 1.00 96.84 79 A 1 ATOM 623 C CZ3 . TRP A 0 79 . -25.932 -1.837 10.352 1.00 96.84 79 A 1 ATOM 624 N N . ILE A 0 80 . -19.786 -2.143 13.389 1.00 96.47 80 A 1 ATOM 625 C CA . ILE A 0 80 . -19.439 -3.123 14.425 1.00 96.47 80 A 1 ATOM 626 C C . ILE A 0 80 . -19.718 -2.546 15.815 1.00 96.47 80 A 1 ATOM 627 C CB . ILE A 0 80 . -17.971 -3.581 14.267 1.00 96.47 80 A 1 ATOM 628 O O . ILE A 0 80 . -20.357 -3.210 16.628 1.00 96.47 80 A 1 ATOM 629 C CG1 . ILE A 0 80 . -17.808 -4.423 12.981 1.00 96.47 80 A 1 ATOM 630 C CG2 . ILE A 0 80 . -17.511 -4.408 15.483 1.00 96.47 80 A 1 ATOM 631 C CD1 . ILE A 0 80 . -16.347 -4.590 12.541 1.00 96.47 80 A 1 ATOM 632 N N . ILE A 0 81 . -19.314 -1.301 16.077 1.00 96.15 81 A 1 ATOM 633 C CA . ILE A 0 81 . -19.571 -0.630 17.357 1.00 96.15 81 A 1 ATOM 634 C C . ILE A 0 81 . -21.080 -0.527 17.611 1.00 96.15 81 A 1 ATOM 635 C CB . ILE A 0 81 . -18.870 0.746 17.399 1.00 96.15 81 A 1 ATOM 636 O O . ILE A 0 81 . -21.544 -0.930 18.672 1.00 96.15 81 A 1 ATOM 637 C CG1 . ILE A 0 81 . -17.334 0.565 17.422 1.00 96.15 81 A 1 ATOM 638 C CG2 . ILE A 0 81 . -19.311 1.553 18.637 1.00 96.15 81 A 1 ATOM 639 C CD1 . ILE A 0 81 . -16.564 1.855 17.110 1.00 96.15 81 A 1 ATOM 640 N N . VAL A 0 82 . -21.872 -0.075 16.634 1.00 95.79 82 A 1 ATOM 641 C CA . VAL A 0 82 . -23.338 0.024 16.760 1.00 95.79 82 A 1 ATOM 642 C C . VAL A 0 82 . -23.981 -1.348 16.974 1.00 95.79 82 A 1 ATOM 643 C CB . VAL A 0 82 . -23.942 0.727 15.528 1.00 95.79 82 A 1 ATOM 644 O O . VAL A 0 82 . -24.906 -1.468 17.780 1.00 95.79 82 A 1 ATOM 645 C CG1 . VAL A 0 82 . -25.479 0.672 15.501 1.00 95.79 82 A 1 ATOM 646 C CG2 . VAL A 0 82 . -23.550 2.210 15.509 1.00 95.79 82 A 1 ATOM 647 N N . ALA A 0 83 . -23.501 -2.387 16.286 1.00 93.89 83 A 1 ATOM 648 C CA . ALA A 0 83 . -23.985 -3.753 16.461 1.00 93.89 83 A 1 ATOM 649 C C . ALA A 0 83 . -23.696 -4.277 17.876 1.00 93.89 83 A 1 ATOM 650 C CB . ALA A 0 83 . -23.360 -4.646 15.382 1.00 93.89 83 A 1 ATOM 651 O O . ALA A 0 83 . -24.592 -4.836 18.510 1.00 93.89 83 A 1 ATOM 652 N N . ILE A 0 84 . -22.492 -4.030 18.401 1.00 93.55 84 A 1 ATOM 653 C CA . ILE A 0 84 . -22.115 -4.379 19.776 1.00 93.55 84 A 1 ATOM 654 C C . ILE A 0 84 . -22.954 -3.576 20.777 1.00 93.55 84 A 1 ATOM 655 C CB . ILE A 0 84 . -20.596 -4.189 19.994 1.00 93.55 84 A 1 ATOM 656 O O . ILE A 0 84 . -23.526 -4.162 21.691 1.00 93.55 84 A 1 ATOM 657 C CG1 . ILE A 0 84 . -19.795 -5.201 19.141 1.00 93.55 84 A 1 ATOM 658 C CG2 . ILE A 0 84 . -20.229 -4.367 21.481 1.00 93.55 84 A 1 ATOM 659 C CD1 . ILE A 0 84 . -18.301 -4.869 19.042 1.00 93.55 84 A 1 ATOM 660 N N . CYS A 0 85 . -23.117 -2.264 20.585 1.00 92.29 85 A 1 ATOM 661 C CA . CYS A 0 85 . -23.956 -1.427 21.445 1.00 92.29 85 A 1 ATOM 662 C C . CYS A 0 85 . -25.411 -1.914 21.472 1.00 92.29 85 A 1 ATOM 663 C CB . CYS A 0 85 . -23.888 0.032 20.974 1.00 92.29 85 A 1 ATOM 664 O O . CYS A 0 85 . -25.999 -2.011 22.547 1.00 92.29 85 A 1 ATOM 665 S SG . CYS A 0 85 . -22.253 0.745 21.309 1.00 92.29 85 A 1 ATOM 666 N N . LYS A 0 86 . -25.987 -2.283 20.320 1.00 90.42 86 A 1 ATOM 667 C CA . LYS A 0 86 . -27.343 -2.852 20.258 1.00 90.42 86 A 1 ATOM 668 C C . LYS A 0 86 . -27.433 -4.211 20.944 1.00 90.42 86 A 1 ATOM 669 C CB . LYS A 0 86 . -27.839 -2.927 18.807 1.00 90.42 86 A 1 ATOM 670 O O . LYS A 0 86 . -28.372 -4.433 21.705 1.00 90.42 86 A 1 ATOM 671 C CG . LYS A 0 86 . -28.382 -1.559 18.380 1.00 90.42 86 A 1 ATOM 672 C CD . LYS A 0 86 . -29.091 -1.606 17.025 1.00 90.42 86 A 1 ATOM 673 C CE . LYS A 0 86 . -29.870 -0.294 16.867 1.00 90.42 86 A 1 ATOM 674 N NZ . LYS A 0 86 . -30.303 -0.066 15.469 1.00 90.42 86 A 1 ATOM 675 N N . ALA A 0 87 . -26.453 -5.089 20.733 1.00 87.41 87 A 1 ATOM 676 C CA . ALA A 0 87 . -26.398 -6.383 21.406 1.00 87.41 87 A 1 ATOM 677 C C . ALA A 0 87 . -26.297 -6.228 22.937 1.00 87.41 87 A 1 ATOM 678 C CB . ALA A 0 87 . -25.228 -7.186 20.825 1.00 87.41 87 A 1 ATOM 679 O O . ALA A 0 87 . -26.995 -6.928 23.673 1.00 87.41 87 A 1 ATOM 680 N N . CYS A 0 88 . -25.499 -5.271 23.421 1.00 81.66 88 A 1 ATOM 681 C CA . CYS A 0 88 . -25.374 -4.962 24.844 1.00 81.66 88 A 1 ATOM 682 C C . CYS A 0 88 . -26.650 -4.319 25.420 1.00 81.66 88 A 1 ATOM 683 C CB . CYS A 0 88 . -24.133 -4.086 25.065 1.00 81.66 88 A 1 ATOM 684 O O . CYS A 0 88 . -27.102 -4.734 26.488 1.00 81.66 88 A 1 ATOM 685 S SG . CYS A 0 88 . -22.630 -5.053 24.727 1.00 81.66 88 A 1 ATOM 686 N N . SER A 0 89 . -27.292 -3.376 24.716 1.00 72.61 89 A 1 ATOM 687 C CA . SER A 0 89 . -28.537 -2.740 25.185 1.00 72.61 89 A 1 ATOM 688 C C . SER A 0 89 . -29.718 -3.708 25.281 1.00 72.61 89 A 1 ATOM 689 C CB . SER A 0 89 . -28.942 -1.562 24.293 1.00 72.61 89 A 1 ATOM 690 O O . SER A 0 89 . -30.551 -3.556 26.173 1.00 72.61 89 A 1 ATOM 691 O OG . SER A 0 89 . -28.292 -0.377 24.701 1.00 72.61 89 A 1 ATOM 692 N N . CYS A 0 90 . -29.802 -4.729 24.423 1.00 62.74 90 A 1 ATOM 693 C CA . CYS A 0 90 . -30.881 -5.717 24.508 1.00 62.74 90 A 1 ATOM 694 C C . CYS A 0 90 . -30.776 -6.627 25.745 1.00 62.74 90 A 1 ATOM 695 C CB . CYS A 0 90 . -30.922 -6.531 23.210 1.00 62.74 90 A 1 ATOM 696 O O . CYS A 0 90 . -31.796 -7.133 26.215 1.00 62.74 90 A 1 ATOM 697 S SG . CYS A 0 90 . -31.574 -5.503 21.861 1.00 62.74 90 A 1 ATOM 698 N N . LYS A 0 91 . -29.579 -6.821 26.318 1.00 59.94 91 A 1 ATOM 699 C CA . LYS A 0 91 . -29.389 -7.733 27.459 1.00 59.94 91 A 1 ATOM 700 C C . LYS A 0 91 . -29.933 -7.171 28.781 1.00 59.94 91 A 1 ATOM 701 C CB . LYS A 0 91 . -27.908 -8.147 27.547 1.00 59.94 91 A 1 ATOM 702 O O . LYS A 0 91 . -30.359 -7.947 29.630 1.00 59.94 91 A 1 ATOM 703 C CG . LYS A 0 91 . -27.752 -9.674 27.638 1.00 59.94 91 A 1 ATOM 704 C CD . LYS A 0 91 . -26.270 -10.056 27.755 1.00 59.94 91 A 1 ATOM 705 C CE . LYS A 0 91 . -26.098 -11.566 27.963 1.00 59.94 91 A 1 ATOM 706 N NZ . LYS A 0 91 . -24.719 -11.897 28.410 1.00 59.94 91 A 1 ATOM 707 N N . GLY A 0 92 . -29.984 -5.844 28.936 1.00 56.86 92 A 1 ATOM 708 C CA . GLY A 0 92 . -30.487 -5.190 30.154 1.00 56.86 92 A 1 ATOM 709 C C . GLY A 0 92 . -32.009 -5.262 30.347 1.00 56.86 92 A 1 ATOM 710 O O . GLY A 0 92 . -32.490 -5.160 31.474 1.00 56.86 92 A 1 ATOM 711 N N . GLN A 0 93 . -32.785 -5.470 29.276 1.00 54.67 93 A 1 ATOM 712 C CA . GLN A 0 93 . -34.251 -5.525 29.382 1.00 54.67 93 A 1 ATOM 713 C C . GLN A 0 93 . -34.817 -6.940 29.572 1.00 54.67 93 A 1 ATOM 714 C CB . GLN A 0 93 . -34.915 -4.771 28.222 1.00 54.67 93 A 1 ATOM 715 O O . GLN A 0 93 . -35.954 -7.068 30.011 1.00 54.67 93 A 1 ATOM 716 C CG . GLN A 0 93 . -34.632 -3.259 28.305 1.00 54.67 93 A 1 ATOM 717 C CD . GLN A 0 93 . -35.751 -2.430 27.685 1.00 54.67 93 A 1 ATOM 718 N NE2 . GLN A 0 93 . -35.489 -1.663 26.650 1.00 54.67 93 A 1 ATOM 719 O OE1 . GLN A 0 93 . -36.885 -2.449 28.123 1.00 54.67 93 A 1 ATOM 720 N N . TYR A 0 94 . -34.040 -8.004 29.336 1.00 53.78 94 A 1 ATOM 721 C CA . TYR A 0 94 . -34.499 -9.378 29.601 1.00 53.78 94 A 1 ATOM 722 C C . TYR A 0 94 . -34.221 -9.864 31.030 1.00 53.78 94 A 1 ATOM 723 C CB . TYR A 0 94 . -33.954 -10.348 28.544 1.00 53.78 94 A 1 ATOM 724 O O . TYR A 0 94 . -34.846 -10.821 31.473 1.00 53.78 94 A 1 ATOM 725 C CG . TYR A 0 94 . -35.030 -10.820 27.586 1.00 53.78 94 A 1 ATOM 726 C CD1 . TYR A 0 94 . -35.766 -11.987 27.872 1.00 53.78 94 A 1 ATOM 727 C CD2 . TYR A 0 94 . -35.324 -10.069 26.431 1.00 53.78 94 A 1 ATOM 728 C CE1 . TYR A 0 94 . -36.775 -12.419 26.990 1.00 53.78 94 A 1 ATOM 729 C CE2 . TYR A 0 94 . -36.339 -10.494 25.551 1.00 53.78 94 A 1 ATOM 730 O OH . TYR A 0 94 . -38.036 -12.097 24.980 1.00 53.78 94 A 1 ATOM 731 C CZ . TYR A 0 94 . -37.062 -11.675 25.828 1.00 53.78 94 A 1 ATOM 732 N N . THR A 0 95 . -33.340 -9.200 31.786 1.00 57.28 95 A 1 ATOM 733 C CA . THR A 0 95 . -33.126 -9.513 33.212 1.00 57.28 95 A 1 ATOM 734 C C . THR A 0 95 . -34.208 -8.922 34.120 1.00 57.28 95 A 1 ATOM 735 C CB . THR A 0 95 . -31.747 -9.050 33.692 1.00 57.28 95 A 1 ATOM 736 O O . THR A 0 95 . -34.364 -9.375 35.249 1.00 57.28 95 A 1 ATOM 737 C CG2 . THR A 0 95 . -30.612 -9.762 32.954 1.00 57.28 95 A 1 ATOM 738 O OG1 . THR A 0 95 . -31.602 -7.671 33.455 1.00 57.28 95 A 1 ATOM 739 N N . ASN A 0 96 . -34.992 -7.957 33.624 1.00 49.45 96 A 1 ATOM 740 C CA . ASN A 0 96 . -36.143 -7.391 34.336 1.00 49.45 96 A 1 ATOM 741 C C . ASN A 0 96 . -37.473 -8.073 33.989 1.00 49.45 96 A 1 ATOM 742 C CB . ASN A 0 96 . -36.190 -5.874 34.130 1.00 49.45 96 A 1 ATOM 743 O O . ASN A 0 96 . -38.498 -7.742 34.586 1.00 49.45 96 A 1 ATOM 744 C CG . ASN A 0 96 . -35.094 -5.188 34.918 1.00 49.45 96 A 1 ATOM 745 N ND2 . ASN A 0 96 . -34.024 -4.769 34.284 1.00 49.45 96 A 1 ATOM 746 O OD1 . ASN A 0 96 . -35.173 -5.046 36.125 1.00 49.45 96 A 1 ATOM 747 N N . ALA A 0 97 . -37.471 -9.082 33.112 1.00 50.01 97 A 1 ATOM 748 C CA . ALA A 0 97 . -38.530 -10.083 33.115 1.00 50.01 97 A 1 ATOM 749 C C . ALA A 0 97 . -38.316 -10.991 34.336 1.00 50.01 97 A 1 ATOM 750 C CB . ALA A 0 97 . -38.570 -10.815 31.771 1.00 50.01 97 A 1 ATOM 751 O O . ALA A 0 97 . -37.918 -12.150 34.230 1.00 50.01 97 A 1 ATOM 752 N N . LYS A 0 98 . -38.544 -10.421 35.525 1.00 46.95 98 A 1 ATOM 753 C CA . LYS A 0 98 . -38.786 -11.173 36.751 1.00 46.95 98 A 1 ATOM 754 C C . LYS A 0 98 . -39.792 -12.270 36.384 1.00 46.95 98 A 1 ATOM 755 C CB . LYS A 0 98 . -39.353 -10.200 37.799 1.00 46.95 98 A 1 ATOM 756 O O . LYS A 0 98 . -40.820 -11.927 35.788 1.00 46.95 98 A 1 ATOM 757 C CG . LYS A 0 98 . -39.566 -10.828 39.183 1.00 46.95 98 A 1 ATOM 758 C CD . LYS A 0 98 . -40.279 -9.833 40.110 1.00 46.95 98 A 1 ATOM 759 C CE . LYS A 0 98 . -40.469 -10.446 41.500 1.00 46.95 98 A 1 ATOM 760 N NZ . LYS A 0 98 . -41.318 -9.585 42.360 1.00 46.95 98 A 1 ATOM 761 N N . PRO A 0 99 . -39.525 -13.554 36.685 1.00 48.53 99 A 1 ATOM 762 C CA . PRO A 0 99 . -40.537 -14.579 36.507 1.00 48.53 99 A 1 ATOM 763 C C . PRO A 0 99 . -41.776 -14.089 37.244 1.00 48.53 99 A 1 ATOM 764 C CB . PRO A 0 99 . -39.952 -15.871 37.088 1.00 48.53 99 A 1 ATOM 765 O O . PRO A 0 99 . -41.707 -13.728 38.422 1.00 48.53 99 A 1 ATOM 766 C CG . PRO A 0 99 . -38.886 -15.377 38.065 1.00 48.53 99 A 1 ATOM 767 C CD . PRO A 0 99 . -38.393 -14.078 37.429 1.00 48.53 99 A 1 ATOM 768 N N . VAL A 0 100 . -42.885 -13.979 36.514 1.00 50.75 100 A 1 ATOM 769 C CA . VAL A 0 100 . -44.198 -13.827 37.124 1.00 50.75 100 A 1 ATOM 770 C C . VAL A 0 100 . -44.275 -14.966 38.124 1.00 50.75 100 A 1 ATOM 771 C CB . VAL A 0 100 . -45.313 -13.902 36.063 1.00 50.75 100 A 1 ATOM 772 O O . VAL A 0 100 . -44.268 -16.132 37.731 1.00 50.75 100 A 1 ATOM 773 C CG1 . VAL A 0 100 . -46.713 -13.940 36.685 1.00 50.75 100 A 1 ATOM 774 C CG2 . VAL A 0 100 . -45.237 -12.677 35.140 1.00 50.75 100 A 1 ATOM 775 N N . ASN A 0 101 . -44.216 -14.618 39.410 1.00 52.66 101 A 1 ATOM 776 C CA . ASN A 0 101 . -44.475 -15.557 40.481 1.00 52.66 101 A 1 ATOM 777 C C . ASN A 0 101 . -45.798 -16.212 40.110 1.00 52.66 101 A 1 ATOM 778 C CB . ASN A 0 101 . -44.581 -14.809 41.819 1.00 52.66 101 A 1 ATOM 779 O O . ASN A 0 101 . -46.805 -15.510 39.989 1.00 52.66 101 A 1 ATOM 780 C CG . ASN A 0 101 . -43.266 -14.229 42.300 1.00 52.66 101 A 1 ATOM 781 N ND2 . ASN A 0 101 . -43.268 -13.012 42.792 1.00 52.66 101 A 1 ATOM 782 O OD1 . ASN A 0 101 . -42.220 -14.846 42.300 1.00 52.66 101 A 1 ATOM 783 N N . GLN A 0 102 . -45.772 -17.520 39.858 1.00 38.72 102 A 1 ATOM 784 C CA . GLN A 0 102 . -46.990 -18.302 39.859 1.00 38.72 102 A 1 ATOM 785 C C . GLN A 0 102 . -47.703 -17.960 41.170 1.00 38.72 102 A 1 ATOM 786 C CB . GLN A 0 102 . -46.666 -19.804 39.810 1.00 38.72 102 A 1 ATOM 787 O O . GLN A 0 102 . -47.103 -18.149 42.232 1.00 38.72 102 A 1 ATOM 788 C CG . GLN A 0 102 . -46.220 -20.284 38.425 1.00 38.72 102 A 1 ATOM 789 C CD . GLN A 0 102 . -45.953 -21.785 38.431 1.00 38.72 102 A 1 ATOM 790 N NE2 . GLN A 0 102 . -46.910 -22.609 38.061 1.00 38.72 102 A 1 ATOM 791 O OE1 . GLN A 0 102 . -44.880 -22.248 38.774 1.00 38.72 102 A 1 ATOM 792 N N . PRO A 0 103 . -48.930 -17.413 41.142 1.00 46.18 103 A 1 ATOM 793 C CA . PRO A 0 103 . -49.790 -17.563 42.289 1.00 46.18 103 A 1 ATOM 794 C C . PRO A 0 103 . -49.986 -19.067 42.457 1.00 46.18 103 A 1 ATOM 795 C CB . PRO A 0 103 . -51.059 -16.770 41.983 1.00 46.18 103 A 1 ATOM 796 O O . PRO A 0 103 . -50.520 -19.757 41.588 1.00 46.18 103 A 1 ATOM 797 C CG . PRO A 0 103 . -51.115 -16.749 40.458 1.00 46.18 103 A 1 ATOM 798 C CD . PRO A 0 103 . -49.654 -16.838 40.019 1.00 46.18 103 A 1 ATOM 799 N N . GLU A 0 104 . -49.435 -19.552 43.557 1.00 43.96 104 A 1 ATOM 800 C CA . GLU A 0 104 . -49.713 -20.827 44.186 1.00 43.96 104 A 1 ATOM 801 C C . GLU A 0 104 . -51.229 -20.872 44.443 1.00 43.96 104 A 1 ATOM 802 C CB . GLU A 0 104 . -48.835 -20.865 45.459 1.00 43.96 104 A 1 ATOM 803 O O . GLU A 0 104 . -51.727 -20.435 45.474 1.00 43.96 104 A 1 ATOM 804 C CG . GLU A 0 104 . -48.315 -22.244 45.868 1.00 43.96 104 A 1 ATOM 805 C CD . GLU A 0 104 . -47.169 -22.075 46.883 1.00 43.96 104 A 1 ATOM 806 O OE1 . GLU A 0 104 . -47.399 -22.317 48.088 1.00 43.96 104 A 1 ATOM 807 O OE2 . GLU A 0 104 . -46.066 -21.672 46.443 1.00 43.96 104 A 1 ATOM 808 N N . VAL A 0 105 . -51.994 -21.277 43.430 1.00 43.19 105 A 1 ATOM 809 C CA . VAL A 0 105 . -53.392 -21.676 43.576 1.00 43.19 105 A 1 ATOM 810 C C . VAL A 0 105 . -53.463 -23.103 43.081 1.00 43.19 105 A 1 ATOM 811 C CB . VAL A 0 105 . -54.407 -20.731 42.912 1.00 43.19 105 A 1 ATOM 812 O O . VAL A 0 105 . -53.688 -23.398 41.912 1.00 43.19 105 A 1 ATOM 813 C CG1 . VAL A 0 105 . -55.838 -21.168 43.262 1.00 43.19 105 A 1 ATOM 814 C CG2 . VAL A 0 105 . -54.238 -19.290 43.413 1.00 43.19 105 A 1 ATOM 815 N N . GLU A 0 106 . -53.128 -23.968 44.024 1.00 39.64 106 A 1 ATOM 816 C CA . GLU A 0 106 . -53.708 -25.280 44.251 1.00 39.64 106 A 1 ATOM 817 C C . GLU A 0 106 . -55.049 -25.484 43.516 1.00 39.64 106 A 1 ATOM 818 C CB . GLU A 0 106 . -53.853 -25.339 45.785 1.00 39.64 106 A 1 ATOM 819 O O . GLU A 0 106 . -56.115 -25.109 43.997 1.00 39.64 106 A 1 ATOM 820 C CG . GLU A 0 106 . -54.146 -26.714 46.390 1.00 39.64 106 A 1 ATOM 821 C CD . GLU A 0 106 . -54.114 -26.645 47.931 1.00 39.64 106 A 1 ATOM 822 O OE1 . GLU A 0 106 . -55.019 -27.233 48.563 1.00 39.64 106 A 1 ATOM 823 O OE2 . GLU A 0 106 . -53.179 -26.012 48.471 1.00 39.64 106 A 1 ATOM 824 N N . ASN A 0 107 . -55.003 -26.093 42.332 1.00 40.27 107 A 1 ATOM 825 C CA . ASN A 0 107 . -55.970 -27.117 41.968 1.00 40.27 107 A 1 ATOM 826 C C . ASN A 0 107 . -55.320 -28.197 41.093 1.00 40.27 107 A 1 ATOM 827 C CB . ASN A 0 107 . -57.294 -26.553 41.423 1.00 40.27 107 A 1 ATOM 828 O O . ASN A 0 107 . -54.515 -27.962 40.193 1.00 40.27 107 A 1 ATOM 829 C CG . ASN A 0 107 . -57.238 -25.811 40.103 1.00 40.27 107 A 1 ATOM 830 N ND2 . ASN A 0 107 . -58.372 -25.317 39.662 1.00 40.27 107 A 1 ATOM 831 O OD1 . ASN A 0 107 . -56.238 -25.659 39.429 1.00 40.27 107 A 1 ATOM 832 N N . GLU A 0 108 . -55.622 -29.426 41.478 1.00 41.36 108 A 1 ATOM 833 C CA . GLU A 0 108 . -55.043 -30.669 41.006 1.00 41.36 108 A 1 ATOM 834 C C . GLU A 0 108 . -55.428 -31.030 39.564 1.00 41.36 108 A 1 ATOM 835 C CB . GLU A 0 108 . -55.544 -31.786 41.933 1.00 41.36 108 A 1 ATOM 836 O O . GLU A 0 108 . -56.555 -30.820 39.122 1.00 41.36 108 A 1 ATOM 837 C CG . GLU A 0 108 . -54.920 -31.764 43.329 1.00 41.36 108 A 1 ATOM 838 C CD . GLU A 0 108 . -55.730 -32.660 44.271 1.00 41.36 108 A 1 ATOM 839 O OE1 . GLU A 0 108 . -55.524 -33.895 44.214 1.00 41.36 108 A 1 ATOM 840 O OE2 . GLU A 0 108 . -56.583 -32.099 44.987 1.00 41.36 108 A 1 ATOM 841 N N . SER A 0 109 . -54.507 -31.751 38.911 1.00 43.02 109 A 1 ATOM 842 C CA . SER A 0 109 . -54.671 -32.533 37.672 1.00 43.02 109 A 1 ATOM 843 C C . SER A 0 109 . -54.931 -31.684 36.411 1.00 43.02 109 A 1 ATOM 844 C CB . SER A 0 109 . -55.694 -33.659 37.904 1.00 43.02 109 A 1 ATOM 845 O O . SER A 0 109 . -55.954 -31.044 36.250 1.00 43.02 109 A 1 ATOM 846 O OG . SER A 0 109 . -57.027 -33.214 37.823 1.00 43.02 109 A 1 ATOM 847 N N . ILE A 0 110 . -54.032 -31.609 35.428 1.00 38.54 110 A 1 ATOM 848 C CA . ILE A 0 110 . -53.670 -32.701 34.520 1.00 38.54 110 A 1 ATOM 849 C C . ILE A 0 110 . -52.253 -32.452 33.963 1.00 38.54 110 A 1 ATOM 850 C CB . ILE A 0 110 . -54.725 -32.784 33.376 1.00 38.54 110 A 1 ATOM 851 O O . ILE A 0 110 . -51.954 -31.464 33.301 1.00 38.54 110 A 1 ATOM 852 C CG1 . ILE A 0 110 . -56.052 -33.426 33.858 1.00 38.54 110 A 1 ATOM 853 C CG2 . ILE A 0 110 . -54.230 -33.598 32.162 1.00 38.54 110 A 1 ATOM 854 C CD1 . ILE A 0 110 . -57.266 -33.043 33.004 1.00 38.54 110 A 1 ATOM 855 N N . ARG A 0 111 . -51.393 -33.434 34.225 1.00 36.49 111 A 1 ATOM 856 C CA . ARG A 0 111 . -50.150 -33.815 33.541 1.00 36.49 111 A 1 ATOM 857 C C . ARG A 0 111 . -50.095 -33.444 32.040 1.00 36.49 111 A 1 ATOM 858 C CB . ARG A 0 111 . -50.141 -35.350 33.742 1.00 36.49 111 A 1 ATOM 859 O O . ARG A 0 111 . -50.742 -34.095 31.229 1.00 36.49 111 A 1 ATOM 860 C CG . ARG A 0 111 . -49.016 -36.172 33.101 1.00 36.49 111 A 1 ATOM 861 C CD . ARG A 0 111 . -49.286 -37.679 33.281 1.00 36.49 111 A 1 ATOM 862 N NE . ARG A 0 111 . -49.057 -38.148 34.667 1.00 36.49 111 A 1 ATOM 863 N NH1 . ARG A 0 111 . -50.096 -40.197 34.495 1.00 36.49 111 A 1 ATOM 864 N NH2 . ARG A 0 111 . -49.055 -39.646 36.388 1.00 36.49 111 A 1 ATOM 865 C CZ . ARG A 0 111 . -49.404 -39.323 35.173 1.00 36.49 111 A 1 ATOM 866 N N . SER A 0 112 . -49.183 -32.549 31.652 1.00 41.17 112 A 1 ATOM 867 C CA . SER A 0 112 . -48.430 -32.673 30.392 1.00 41.17 112 A 1 ATOM 868 C C . SER A 0 112 . -47.032 -32.080 30.567 1.00 41.17 112 A 1 ATOM 869 C CB . SER A 0 112 . -49.136 -32.054 29.189 1.00 41.17 112 A 1 ATOM 870 O O . SER A 0 112 . -46.846 -30.915 30.901 1.00 41.17 112 A 1 ATOM 871 O OG . SER A 0 112 . -48.403 -32.410 28.030 1.00 41.17 112 A 1 ATOM 872 N N . VAL A 0 113 . -46.053 -32.964 30.451 1.00 41.16 113 A 1 ATOM 873 C CA . VAL A 0 113 . -44.651 -32.823 30.839 1.00 41.16 113 A 1 ATOM 874 C C . VAL A 0 113 . -43.812 -32.351 29.646 1.00 41.16 113 A 1 ATOM 875 C CB . VAL A 0 113 . -44.206 -34.209 31.374 1.00 41.16 113 A 1 ATOM 876 O O . VAL A 0 113 . -44.109 -32.709 28.511 1.00 41.16 113 A 1 ATOM 877 C CG1 . VAL A 0 113 . -42.697 -34.438 31.479 1.00 41.16 113 A 1 ATOM 878 C CG2 . VAL A 0 113 . -44.815 -34.473 32.758 1.00 41.16 113 A 1 ATOM 879 N N . ARG A 0 114 . -42.687 -31.690 29.969 1.00 40.61 114 A 1 ATOM 880 C CA . ARG A 0 114 . -41.466 -31.436 29.167 1.00 40.61 114 A 1 ATOM 881 C C . ARG A 0 114 . -41.405 -30.139 28.353 1.00 40.61 114 A 1 ATOM 882 C CB . ARG A 0 114 . -41.000 -32.681 28.377 1.00 40.61 114 A 1 ATOM 883 O O . ARG A 0 114 . -41.473 -30.126 27.130 1.00 40.61 114 A 1 ATOM 884 C CG . ARG A 0 114 . -39.927 -33.473 29.128 1.00 40.61 114 A 1 ATOM 885 C CD . ARG A 0 114 . -39.672 -34.796 28.400 1.00 40.61 114 A 1 ATOM 886 N NE . ARG A 0 114 . -39.263 -35.858 29.337 1.00 40.61 114 A 1 ATOM 887 N NH1 . ARG A 0 114 . -40.126 -37.638 28.162 1.00 40.61 114 A 1 ATOM 888 N NH2 . ARG A 0 114 . -39.154 -37.985 30.140 1.00 40.61 114 A 1 ATOM 889 C CZ . ARG A 0 114 . -39.516 -37.149 29.208 1.00 40.61 114 A 1 ATOM 890 N N . SER A 0 115 . -41.055 -29.068 29.061 1.00 44.39 115 A 1 ATOM 891 C CA . SER A 0 115 . -40.110 -28.068 28.564 1.00 44.39 115 A 1 ATOM 892 C C . SER A 0 115 . -38.702 -28.685 28.507 1.00 44.39 115 A 1 ATOM 893 C CB . SER A 0 115 . -40.145 -26.827 29.468 1.00 44.39 115 A 1 ATOM 894 O O . SER A 0 115 . -38.197 -29.230 29.488 1.00 44.39 115 A 1 ATOM 895 O OG . SER A 0 115 . -40.158 -27.194 30.838 1.00 44.39 115 A 1 ATOM 896 N N . VAL A 0 116 . -38.086 -28.658 27.325 1.00 44.18 116 A 1 ATOM 897 C CA . VAL A 0 116 . -36.694 -29.065 27.106 1.00 44.18 116 A 1 ATOM 898 C C . VAL A 0 116 . -35.792 -27.911 27.531 1.00 44.18 116 A 1 ATOM 899 C CB . VAL A 0 116 . -36.463 -29.480 25.638 1.00 44.18 116 A 1 ATOM 900 O O . VAL A 0 116 . -35.846 -26.819 26.974 1.00 44.18 116 A 1 ATOM 901 C CG1 . VAL A 0 116 . -34.984 -29.723 25.312 1.00 44.18 116 A 1 ATOM 902 C CG2 . VAL A 0 116 . -37.227 -30.779 25.337 1.00 44.18 116 A 1 ATOM 903 N N . THR A 0 117 . -34.976 -28.172 28.543 1.00 48.39 117 A 1 ATOM 904 C CA . THR A 0 117 . -33.944 -27.297 29.093 1.00 48.39 117 A 1 ATOM 905 C C . THR A 0 117 . -32.919 -26.920 28.019 1.00 48.39 117 A 1 ATOM 906 C CB . THR A 0 117 . -33.250 -28.056 30.245 1.00 48.39 117 A 1 ATOM 907 O O . THR A 0 117 . -32.066 -27.731 27.659 1.00 48.39 117 A 1 ATOM 908 C CG2 . THR A 0 117 . -32.418 -27.152 31.148 1.00 48.39 117 A 1 ATOM 909 O OG1 . THR A 0 117 . -34.213 -28.686 31.063 1.00 48.39 117 A 1 ATOM 910 N N . SER A 0 118 . -32.957 -25.687 27.509 1.00 51.88 118 A 1 ATOM 911 C CA . SER A 0 118 . -31.834 -25.121 26.756 1.00 51.88 118 A 1 ATOM 912 C C . SER A 0 118 . -30.744 -24.710 27.746 1.00 51.88 118 A 1 ATOM 913 C CB . SER A 0 118 . -32.283 -23.946 25.881 1.00 51.88 118 A 1 ATOM 914 O O . SER A 0 118 . -30.890 -23.727 28.471 1.00 51.88 118 A 1 ATOM 915 O OG . SER A 0 118 . -32.899 -22.948 26.667 1.00 51.88 118 A 1 ATOM 916 N N . ILE A 0 119 . -29.671 -25.495 27.799 1.00 40.26 119 A 1 ATOM 917 C CA . ILE A 0 119 . -28.443 -25.208 28.548 1.00 40.26 119 A 1 ATOM 918 C C . ILE A 0 119 . -27.870 -23.868 28.042 1.00 40.26 119 A 1 ATOM 919 C CB . ILE A 0 119 . -27.437 -26.367 28.324 1.00 40.26 119 A 1 ATOM 920 O O . ILE A 0 119 . -27.514 -23.786 26.864 1.00 40.26 119 A 1 ATOM 921 C CG1 . ILE A 0 119 . -28.016 -27.713 28.829 1.00 40.26 119 A 1 ATOM 922 C CG2 . ILE A 0 119 . -26.087 -26.070 29.004 1.00 40.26 119 A 1 ATOM 923 C CD1 . ILE A 0 119 . -27.200 -28.941 28.405 1.00 40.26 119 A 1 ATOM 924 N N . PRO A 0 120 . -27.757 -22.816 28.875 1.00 50.35 120 A 1 ATOM 925 C CA . PRO A 0 120 . -27.107 -21.584 28.460 1.00 50.35 120 A 1 ATOM 926 C C . PRO A 0 120 . -25.591 -21.793 28.486 1.00 50.35 120 A 1 ATOM 927 C CB . PRO A 0 120 . -27.604 -20.512 29.432 1.00 50.35 120 A 1 ATOM 928 O O . PRO A 0 120 . -24.986 -21.977 29.543 1.00 50.35 120 A 1 ATOM 929 C CG . PRO A 0 120 . -27.883 -21.294 30.717 1.00 50.35 120 A 1 ATOM 930 C CD . PRO A 0 120 . -28.267 -22.695 30.234 1.00 50.35 120 A 1 ATOM 931 N N . TYR A 0 121 . -24.964 -21.772 27.312 1.00 39.21 121 A 1 ATOM 932 C CA . TYR A 0 121 . -23.514 -21.669 27.200 1.00 39.21 121 A 1 ATOM 933 C C . TYR A 0 121 . -23.067 -20.355 27.849 1.00 39.21 121 A 1 ATOM 934 C CB . TYR A 0 121 . -23.053 -21.823 25.742 1.00 39.21 121 A 1 ATOM 935 O O . TYR A 0 121 . -23.380 -19.249 27.409 1.00 39.21 121 A 1 ATOM 936 C CG . TYR A 0 121 . -23.992 -21.215 24.721 1.00 39.21 121 A 1 ATOM 937 C CD1 . TYR A 0 121 . -25.066 -21.982 24.228 1.00 39.21 121 A 1 ATOM 938 C CD2 . TYR A 0 121 . -23.835 -19.876 24.318 1.00 39.21 121 A 1 ATOM 939 C CE1 . TYR A 0 121 . -25.990 -21.408 23.338 1.00 39.21 121 A 1 ATOM 940 C CE2 . TYR A 0 121 . -24.753 -19.301 23.419 1.00 39.21 121 A 1 ATOM 941 O OH . TYR A 0 121 . -26.732 -19.520 22.074 1.00 39.21 121 A 1 ATOM 942 C CZ . TYR A 0 121 . -25.834 -20.068 22.931 1.00 39.21 121 A 1 ATOM 943 N N . ASN A 0 122 . -22.358 -20.520 28.960 1.00 42.29 122 A 1 ATOM 944 C CA . ASN A 0 122 . -21.725 -19.482 29.748 1.00 42.29 122 A 1 ATOM 945 C C . ASN A 0 122 . -20.533 -18.901 28.974 1.00 42.29 122 A 1 ATOM 946 C CB . ASN A 0 122 . -21.322 -20.144 31.081 1.00 42.29 122 A 1 ATOM 947 O O . ASN A 0 122 . -19.391 -19.305 29.188 1.00 42.29 122 A 1 ATOM 948 C CG . ASN A 0 122 . -20.635 -19.211 32.061 1.00 42.29 122 A 1 ATOM 949 N ND2 . ASN A 0 122 . -20.038 -19.755 33.096 1.00 42.29 122 A 1 ATOM 950 O OD1 . ASN A 0 122 . -20.642 -17.998 31.939 1.00 42.29 122 A 1 ATOM 951 N N . THR A 0 123 . -20.771 -17.957 28.065 1.00 46.71 123 A 1 ATOM 952 C CA . THR A 0 123 . -19.692 -17.079 27.607 1.00 46.71 123 A 1 ATOM 953 C C . THR A 0 123 . -19.581 -15.942 28.609 1.00 46.71 123 A 1 ATOM 954 C CB . THR A 0 123 . -19.820 -16.583 26.157 1.00 46.71 123 A 1 ATOM 955 O O . THR A 0 123 . -20.332 -14.968 28.566 1.00 46.71 123 A 1 ATOM 956 C CG2 . THR A 0 123 . -18.450 -16.608 25.474 1.00 46.71 123 A 1 ATOM 957 O OG1 . THR A 0 123 . -20.663 -17.412 25.395 1.00 46.71 123 A 1 ATOM 958 N N . ARG A 0 124 . -18.649 -16.128 29.544 1.00 43.96 124 A 1 ATOM 959 C CA . ARG A 0 124 . -18.095 -15.139 30.469 1.00 43.96 124 A 1 ATOM 960 C C . ARG A 0 124 . -17.666 -13.902 29.666 1.00 43.96 124 A 1 ATOM 961 C CB . ARG A 0 124 . -16.931 -15.865 31.179 1.00 43.96 124 A 1 ATOM 962 O O . ARG A 0 124 . -16.539 -13.827 29.189 1.00 43.96 124 A 1 ATOM 963 C CG . ARG A 0 124 . -16.381 -15.214 32.454 1.00 43.96 124 A 1 ATOM 964 C CD . ARG A 0 124 . -15.236 -16.096 32.983 1.00 43.96 124 A 1 ATOM 965 N NE . ARG A 0 124 . -14.835 -15.750 34.360 1.00 43.96 124 A 1 ATOM 966 N NH1 . ARG A 0 124 . -13.236 -17.387 34.616 1.00 43.96 124 A 1 ATOM 967 N NH2 . ARG A 0 124 . -13.684 -16.013 36.313 1.00 43.96 124 A 1 ATOM 968 C CZ . ARG A 0 124 . -13.925 -16.382 35.087 1.00 43.96 124 A 1 ATOM 969 N N . SER A 0 125 . -18.593 -12.976 29.426 1.00 52.49 125 A 1 ATOM 970 C CA . SER A 0 125 . -18.305 -11.702 28.775 1.00 52.49 125 A 1 ATOM 971 C C . SER A 0 125 . -17.545 -10.837 29.768 1.00 52.49 125 A 1 ATOM 972 C CB . SER A 0 125 . -19.576 -11.013 28.264 1.00 52.49 125 A 1 ATOM 973 O O . SER A 0 125 . -18.050 -10.557 30.852 1.00 52.49 125 A 1 ATOM 974 O OG . SER A 0 125 . -20.544 -10.890 29.289 1.00 52.49 125 A 1 ATOM 975 N N . ILE A 0 126 . -16.318 -10.512 29.376 1.00 43.69 126 A 1 ATOM 976 C CA . ILE A 0 126 . -15.345 -9.620 30.006 1.00 43.69 126 A 1 ATOM 977 C C . ILE A 0 126 . -16.044 -8.471 30.749 1.00 43.69 126 A 1 ATOM 978 C CB . ILE A 0 126 . -14.417 -9.136 28.861 1.00 43.69 126 A 1 ATOM 979 O O . ILE A 0 126 . -16.848 -7.754 30.157 1.00 43.69 126 A 1 ATOM 980 C CG1 . ILE A 0 126 . -13.553 -10.324 28.355 1.00 43.69 126 A 1 ATOM 981 C CG2 . ILE A 0 126 . -13.517 -7.959 29.262 1.00 43.69 126 A 1 ATOM 982 C CD1 . ILE A 0 126 . -12.995 -10.128 26.940 1.00 43.69 126 A 1 ATOM 983 N N . ASN A 0 127 . -15.743 -8.350 32.047 1.00 42.02 127 A 1 ATOM 984 C CA . ASN A 0 127 . -16.134 -7.220 32.884 1.00 42.02 127 A 1 ATOM 985 C C . ASN A 0 127 . -15.680 -5.923 32.209 1.00 42.02 127 A 1 ATOM 986 C CB . ASN A 0 127 . -15.461 -7.336 34.271 1.00 42.02 127 A 1 ATOM 987 O O . ASN A 0 127 . -14.488 -5.746 31.962 1.00 42.02 127 A 1 ATOM 988 C CG . ASN A 0 127 . -16.176 -8.219 35.277 1.00 42.02 127 A 1 ATOM 989 N ND2 . ASN A 0 127 . -15.540 -8.516 36.385 1.00 42.02 127 A 1 ATOM 990 O OD1 . ASN A 0 127 . -17.298 -8.658 35.102 1.00 42.02 127 A 1 ATOM 991 N N . CYS A 0 128 . -16.631 -5.040 31.925 1.00 50.16 128 A 1 ATOM 992 C CA . CYS A 0 128 . -16.352 -3.629 31.712 1.00 50.16 128 A 1 ATOM 993 C C . CYS A 0 128 . -16.539 -2.931 33.062 1.00 50.16 128 A 1 ATOM 994 C CB . CYS A 0 128 . -17.284 -3.055 30.631 1.00 50.16 128 A 1 ATOM 995 O O . CYS A 0 128 . -17.626 -2.434 33.332 1.00 50.16 128 A 1 ATOM 996 S SG . CYS A 0 128 . -17.021 -3.837 29.010 1.00 50.16 128 A 1 ATOM 997 N N . ASP A 0 129 . -15.504 -2.989 33.896 1.00 47.26 129 A 1 ATOM 998 C CA . ASP A 0 129 . -15.185 -2.030 34.962 1.00 47.26 129 A 1 ATOM 999 C C . ASP A 0 129 . -13.657 -1.986 35.094 1.00 47.26 129 A 1 ATOM 1000 C CB . ASP A 0 129 . -15.871 -2.375 36.306 1.00 47.26 129 A 1 ATOM 1001 O O . ASP A 0 129 . -13.042 -3.084 35.086 1.00 47.26 129 A 1 ATOM 1002 C CG . ASP A 0 129 . -17.235 -1.691 36.552 1.00 47.26 129 A 1 ATOM 1003 O OD1 . ASP A 0 129 . -17.433 -0.526 36.129 1.00 47.26 129 A 1 ATOM 1004 O OD2 . ASP A 0 129 . -18.067 -2.324 37.250 1.00 47.26 129 A 1 ATOM 1005 O OXT . ASP A 0 129 . -13.121 -0.859 35.083 1.00 47.26 129 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 67.02 # loop_ _atom_type.symbol C N O S #