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 ASN 0 3 LEU 0 4 ASN 0 5 CYS 0 6 LEU 0 7 CYS 0 8 LEU 0 9 LEU 0 10 THR 0 11 LEU 0 12 VAL 0 13 ALA 0 14 ILE 0 15 ILE 0 16 HIS 0 17 VAL 0 18 SER 0 19 ALA 0 20 LYS 0 21 ARG 0 22 ASN 0 23 THR 0 24 THR 0 25 GLU 0 26 ASP 0 27 SER 0 28 VAL 0 29 GLY 0 30 PHE 0 31 ASN 0 32 LEU 0 33 HIS 0 34 ASN 0 35 GLY 0 36 HIS 0 37 VAL 0 38 LEU 0 39 ASN 0 40 VAL 0 41 THR 0 42 ASN 0 43 ASN 0 44 LEU 0 45 LYS 0 46 GLU 0 47 GLY 0 48 GLU 0 49 LYS 0 50 LYS 0 51 THR 0 52 GLY 0 53 SER 0 54 ASP 0 55 SER 0 56 ASN 0 57 GLU 0 58 ARG 0 59 GLY 0 60 LYS 0 61 ASN 0 62 GLY 0 63 LYS 0 64 GLY 0 65 ASN 0 66 LYS 0 67 ARG 0 68 LYS 0 69 GLY 0 70 VAL 0 71 GLN 0 72 ARG 0 73 VAL 0 74 LYS 0 75 PRO 0 76 GLY 0 77 SER 0 78 LYS 0 79 SER 0 80 PHE 0 81 SER 0 82 TYR 0 83 PHE 0 84 ILE 0 85 HIS 0 86 LEU 0 87 THR # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 0 1 . 12.174 -2.278 -26.050 1.00 51.57 1 A 1 ATOM 2 C CA . MET A 0 1 . 10.956 -1.671 -25.471 1.00 51.57 1 A 1 ATOM 3 C C . MET A 0 1 . 11.394 -0.753 -24.343 1.00 51.57 1 A 1 ATOM 4 C CB . MET A 0 1 . 9.985 -2.749 -24.964 1.00 51.57 1 A 1 ATOM 5 O O . MET A 0 1 . 12.074 -1.228 -23.445 1.00 51.57 1 A 1 ATOM 6 C CG . MET A 0 1 . 9.328 -3.492 -26.133 1.00 51.57 1 A 1 ATOM 7 S SD . MET A 0 1 . 8.014 -4.620 -25.617 1.00 51.57 1 A 1 ATOM 8 C CE . MET A 0 1 . 7.124 -4.819 -27.186 1.00 51.57 1 A 1 ATOM 9 N N . ASN A 0 2 . 11.124 0.553 -24.437 1.00 50.90 2 A 1 ATOM 10 C CA . ASN A 0 2 . 11.587 1.535 -23.449 1.00 50.90 2 A 1 ATOM 11 C C . ASN A 0 2 . 10.846 1.327 -22.124 1.00 50.90 2 A 1 ATOM 12 C CB . ASN A 0 2 . 11.402 2.967 -24.004 1.00 50.90 2 A 1 ATOM 13 O O . ASN A 0 2 . 9.724 1.804 -21.963 1.00 50.90 2 A 1 ATOM 14 C CG . ASN A 0 2 . 12.606 3.440 -24.797 1.00 50.90 2 A 1 ATOM 15 N ND2 . ASN A 0 2 . 12.420 4.029 -25.954 1.00 50.90 2 A 1 ATOM 16 O OD1 . ASN A 0 2 . 13.733 3.274 -24.380 1.00 50.90 2 A 1 ATOM 17 N N . LEU A 0 3 . 11.480 0.615 -21.192 1.00 60.99 3 A 1 ATOM 18 C CA . LEU A 0 3 . 10.952 0.312 -19.858 1.00 60.99 3 A 1 ATOM 19 C C . LEU A 0 3 . 10.508 1.591 -19.118 1.00 60.99 3 A 1 ATOM 20 C CB . LEU A 0 3 . 12.061 -0.453 -19.105 1.00 60.99 3 A 1 ATOM 21 O O . LEU A 0 3 . 9.475 1.611 -18.457 1.00 60.99 3 A 1 ATOM 22 C CG . LEU A 0 3 . 11.585 -1.259 -17.883 1.00 60.99 3 A 1 ATOM 23 C CD1 . LEU A 0 3 . 10.722 -2.455 -18.299 1.00 60.99 3 A 1 ATOM 24 C CD2 . LEU A 0 3 . 12.802 -1.797 -17.131 1.00 60.99 3 A 1 ATOM 25 N N . ASN A 0 4 . 11.206 2.701 -19.372 1.00 55.48 4 A 1 ATOM 26 C CA . ASN A 0 4 . 10.896 4.029 -18.840 1.00 55.48 4 A 1 ATOM 27 C C . ASN A 0 4 . 9.534 4.579 -19.292 1.00 55.48 4 A 1 ATOM 28 C CB . ASN A 0 4 . 12.033 4.980 -19.264 1.00 55.48 4 A 1 ATOM 29 O O . ASN A 0 4 . 8.876 5.298 -18.544 1.00 55.48 4 A 1 ATOM 30 C CG . ASN A 0 4 . 13.365 4.600 -18.643 1.00 55.48 4 A 1 ATOM 31 N ND2 . ASN A 0 4 . 14.469 5.027 -19.206 1.00 55.48 4 A 1 ATOM 32 O OD1 . ASN A 0 4 . 13.433 3.885 -17.666 1.00 55.48 4 A 1 ATOM 33 N N . CYS A 0 5 . 9.077 4.233 -20.499 1.00 57.49 5 A 1 ATOM 34 C CA . CYS A 0 5 . 7.773 4.675 -20.992 1.00 57.49 5 A 1 ATOM 35 C C . CYS A 0 5 . 6.636 3.958 -20.249 1.00 57.49 5 A 1 ATOM 36 C CB . CYS A 0 5 . 7.738 4.455 -22.510 1.00 57.49 5 A 1 ATOM 37 O O . CYS A 0 5 . 5.611 4.568 -19.954 1.00 57.49 5 A 1 ATOM 38 S SG . CYS A 0 5 . 6.330 5.327 -23.251 1.00 57.49 5 A 1 ATOM 39 N N . LEU A 0 6 . 6.853 2.697 -19.854 1.00 59.89 6 A 1 ATOM 40 C CA . LEU A 0 6 . 5.892 1.933 -19.060 1.00 59.89 6 A 1 ATOM 41 C C . LEU A 0 6 . 5.709 2.543 -17.659 1.00 59.89 6 A 1 ATOM 42 C CB . LEU A 0 6 . 6.354 0.465 -18.991 1.00 59.89 6 A 1 ATOM 43 O O . LEU A 0 6 . 4.579 2.634 -17.187 1.00 59.89 6 A 1 ATOM 44 C CG . LEU A 0 6 . 5.198 -0.508 -18.700 1.00 59.89 6 A 1 ATOM 45 C CD1 . LEU A 0 6 . 4.381 -0.788 -19.966 1.00 59.89 6 A 1 ATOM 46 C CD2 . LEU A 0 6 . 5.746 -1.838 -18.186 1.00 59.89 6 A 1 ATOM 47 N N . CYS A 0 7 . 6.793 3.030 -17.042 1.00 64.26 7 A 1 ATOM 48 C CA . CYS A 0 7 . 6.753 3.717 -15.745 1.00 64.26 7 A 1 ATOM 49 C C . CYS A 0 7 . 6.001 5.058 -15.797 1.00 64.26 7 A 1 ATOM 50 C CB . CYS A 0 7 . 8.188 3.928 -15.243 1.00 64.26 7 A 1 ATOM 51 O O . CYS A 0 7 . 5.276 5.408 -14.868 1.00 64.26 7 A 1 ATOM 52 S SG . CYS A 0 7 . 8.940 2.323 -14.849 1.00 64.26 7 A 1 ATOM 53 N N . LEU A 0 8 . 6.138 5.813 -16.891 1.00 64.84 8 A 1 ATOM 54 C CA . LEU A 0 8 . 5.386 7.058 -17.074 1.00 64.84 8 A 1 ATOM 55 C C . LEU A 0 8 . 3.891 6.785 -17.288 1.00 64.84 8 A 1 ATOM 56 C CB . LEU A 0 8 . 5.988 7.857 -18.241 1.00 64.84 8 A 1 ATOM 57 O O . LEU A 0 8 . 3.054 7.490 -16.725 1.00 64.84 8 A 1 ATOM 58 C CG . LEU A 0 8 . 7.378 8.450 -17.942 1.00 64.84 8 A 1 ATOM 59 C CD1 . LEU A 0 8 . 7.962 9.038 -19.226 1.00 64.84 8 A 1 ATOM 60 C CD2 . LEU A 0 8 . 7.322 9.560 -16.889 1.00 64.84 8 A 1 ATOM 61 N N . LEU A 0 9 . 3.548 5.736 -18.042 1.00 66.65 9 A 1 ATOM 62 C CA . LEU A 0 9 . 2.156 5.328 -18.252 1.00 66.65 9 A 1 ATOM 63 C C . LEU A 0 9 . 1.479 4.893 -16.947 1.00 66.65 9 A 1 ATOM 64 C CB . LEU A 0 9 . 2.099 4.203 -19.301 1.00 66.65 9 A 1 ATOM 65 O O . LEU A 0 9 . 0.328 5.260 -16.710 1.00 66.65 9 A 1 ATOM 66 C CG . LEU A 0 9 . 2.389 4.663 -20.741 1.00 66.65 9 A 1 ATOM 67 C CD1 . LEU A 0 9 . 2.538 3.439 -21.644 1.00 66.65 9 A 1 ATOM 68 C CD2 . LEU A 0 9 . 1.268 5.541 -21.304 1.00 66.65 9 A 1 ATOM 69 N N . THR A 0 10 . 2.180 4.165 -16.073 1.00 66.53 10 A 1 ATOM 70 C CA . THR A 0 10 . 1.634 3.775 -14.765 1.00 66.53 10 A 1 ATOM 71 C C . THR A 0 10 . 1.465 4.969 -13.828 1.00 66.53 10 A 1 ATOM 72 C CB . THR A 0 10 . 2.460 2.671 -14.091 1.00 66.53 10 A 1 ATOM 73 O O . THR A 0 10 . 0.426 5.060 -13.177 1.00 66.53 10 A 1 ATOM 74 C CG2 . THR A 0 10 . 2.159 1.300 -14.690 1.00 66.53 10 A 1 ATOM 75 O OG1 . THR A 0 10 . 3.835 2.888 -14.253 1.00 66.53 10 A 1 ATOM 76 N N . LEU A 0 11 . 2.395 5.931 -13.808 1.00 66.19 11 A 1 ATOM 77 C CA . LEU A 0 11 . 2.238 7.171 -13.031 1.00 66.19 11 A 1 ATOM 78 C C . LEU A 0 11 . 1.024 7.996 -13.489 1.00 66.19 11 A 1 ATOM 79 C CB . LEU A 0 11 . 3.527 8.008 -13.119 1.00 66.19 11 A 1 ATOM 80 O O . LEU A 0 11 . 0.216 8.413 -12.658 1.00 66.19 11 A 1 ATOM 81 C CG . LEU A 0 11 . 4.692 7.470 -12.267 1.00 66.19 11 A 1 ATOM 82 C CD1 . LEU A 0 11 . 5.972 8.225 -12.627 1.00 66.19 11 A 1 ATOM 83 C CD2 . LEU A 0 11 . 4.439 7.651 -10.767 1.00 66.19 11 A 1 ATOM 84 N N . VAL A 0 12 . 0.847 8.183 -14.802 1.00 67.54 12 A 1 ATOM 85 C CA . VAL A 0 12 . -0.313 8.903 -15.360 1.00 67.54 12 A 1 ATOM 86 C C . VAL A 0 12 . -1.616 8.163 -15.058 1.00 67.54 12 A 1 ATOM 87 C CB . VAL A 0 12 . -0.144 9.139 -16.875 1.00 67.54 12 A 1 ATOM 88 O O . VAL A 0 12 . -2.601 8.799 -14.685 1.00 67.54 12 A 1 ATOM 89 C CG1 . VAL A 0 12 . -1.397 9.749 -17.520 1.00 67.54 12 A 1 ATOM 90 C CG2 . VAL A 0 12 . 1.013 10.111 -17.144 1.00 67.54 12 A 1 ATOM 91 N N . ALA A 0 13 . -1.632 6.829 -15.153 1.00 62.83 13 A 1 ATOM 92 C CA . ALA A 0 13 . -2.807 6.028 -14.819 1.00 62.83 13 A 1 ATOM 93 C C . ALA A 0 13 . -3.195 6.159 -13.335 1.00 62.83 13 A 1 ATOM 94 C CB . ALA A 0 13 . -2.543 4.570 -15.211 1.00 62.83 13 A 1 ATOM 95 O O . ALA A 0 13 . -4.377 6.304 -13.030 1.00 62.83 13 A 1 ATOM 96 N N . ILE A 0 14 . -2.220 6.179 -12.419 1.00 63.58 14 A 1 ATOM 97 C CA . ILE A 0 14 . -2.462 6.376 -10.980 1.00 63.58 14 A 1 ATOM 98 C C . ILE A 0 14 . -3.058 7.767 -10.721 1.00 63.58 14 A 1 ATOM 99 C CB . ILE A 0 14 . -1.161 6.129 -10.180 1.00 63.58 14 A 1 ATOM 100 O O . ILE A 0 14 . -4.072 7.878 -10.034 1.00 63.58 14 A 1 ATOM 101 C CG1 . ILE A 0 14 . -0.762 4.635 -10.243 1.00 63.58 14 A 1 ATOM 102 C CG2 . ILE A 0 14 . -1.322 6.544 -8.705 1.00 63.58 14 A 1 ATOM 103 C CD1 . ILE A 0 14 . 0.705 4.380 -9.870 1.00 63.58 14 A 1 ATOM 104 N N . ILE A 0 15 . -2.492 8.819 -11.323 1.00 64.32 15 A 1 ATOM 105 C CA . ILE A 0 15 . -3.000 10.194 -11.185 1.00 64.32 15 A 1 ATOM 106 C C . ILE A 0 15 . -4.406 10.325 -11.792 1.00 64.32 15 A 1 ATOM 107 C CB . ILE A 0 15 . -2.004 11.199 -11.812 1.00 64.32 15 A 1 ATOM 108 O O . ILE A 0 15 . -5.281 10.945 -11.187 1.00 64.32 15 A 1 ATOM 109 C CG1 . ILE A 0 15 . -0.659 11.185 -11.047 1.00 64.32 15 A 1 ATOM 110 C CG2 . ILE A 0 15 . -2.582 12.630 -11.805 1.00 64.32 15 A 1 ATOM 111 C CD1 . ILE A 0 15 . 0.484 11.875 -11.802 1.00 64.32 15 A 1 ATOM 112 N N . HIS A 0 16 . -4.659 9.715 -12.954 1.00 61.02 16 A 1 ATOM 113 C CA . HIS A 0 16 . -5.960 9.778 -13.622 1.00 61.02 16 A 1 ATOM 114 C C . HIS A 0 16 . -7.053 9.032 -12.841 1.00 61.02 16 A 1 ATOM 115 C CB . HIS A 0 16 . -5.827 9.254 -15.061 1.00 61.02 16 A 1 ATOM 116 O O . HIS A 0 16 . -8.183 9.517 -12.740 1.00 61.02 16 A 1 ATOM 117 C CG . HIS A 0 16 . -7.050 9.534 -15.899 1.00 61.02 16 A 1 ATOM 118 C CD2 . HIS A 0 16 . -7.695 8.666 -16.738 1.00 61.02 16 A 1 ATOM 119 N ND1 . HIS A 0 16 . -7.723 10.734 -15.969 1.00 61.02 16 A 1 ATOM 120 C CE1 . HIS A 0 16 . -8.749 10.591 -16.820 1.00 61.02 16 A 1 ATOM 121 N NE2 . HIS A 0 16 . -8.785 9.339 -17.305 1.00 61.02 16 A 1 ATOM 122 N N . VAL A 0 17 . -6.716 7.894 -12.224 1.00 56.69 17 A 1 ATOM 123 C CA . VAL A 0 17 . -7.625 7.164 -11.325 1.00 56.69 17 A 1 ATOM 124 C C . VAL A 0 17 . -7.907 7.971 -10.056 1.00 56.69 17 A 1 ATOM 125 C CB . VAL A 0 17 . -7.072 5.760 -11.005 1.00 56.69 17 A 1 ATOM 126 O O . VAL A 0 17 . -9.062 8.022 -9.632 1.00 56.69 17 A 1 ATOM 127 C CG1 . VAL A 0 17 . -7.877 5.036 -9.913 1.00 56.69 17 A 1 ATOM 128 C CG2 . VAL A 0 17 . -7.133 4.867 -12.254 1.00 56.69 17 A 1 ATOM 129 N N . SER A 0 18 . -6.906 8.653 -9.490 1.00 50.30 18 A 1 ATOM 130 C CA . SER A 0 18 . -7.108 9.550 -8.343 1.00 50.30 18 A 1 ATOM 131 C C . SER A 0 18 . -7.981 10.759 -8.698 1.00 50.30 18 A 1 ATOM 132 C CB . SER A 0 18 . -5.766 10.013 -7.771 1.00 50.30 18 A 1 ATOM 133 O O . SER A 0 18 . -8.894 11.084 -7.948 1.00 50.30 18 A 1 ATOM 134 O OG . SER A 0 18 . -5.063 8.920 -7.209 1.00 50.30 18 A 1 ATOM 135 N N . ALA A 0 19 . -7.795 11.377 -9.870 1.00 51.27 19 A 1 ATOM 136 C CA . ALA A 0 19 . -8.623 12.499 -10.323 1.00 51.27 19 A 1 ATOM 137 C C . ALA A 0 19 . -10.087 12.089 -10.572 1.00 51.27 19 A 1 ATOM 138 C CB . ALA A 0 19 . -7.987 13.098 -11.583 1.00 51.27 19 A 1 ATOM 139 O O . ALA A 0 19 . -11.002 12.843 -10.250 1.00 51.27 19 A 1 ATOM 140 N N . LYS A 0 20 . -10.324 10.876 -11.094 1.00 52.25 20 A 1 ATOM 141 C CA . LYS A 0 20 . -11.677 10.353 -11.354 1.00 52.25 20 A 1 ATOM 142 C C . LYS A 0 20 . -12.411 9.893 -10.087 1.00 52.25 20 A 1 ATOM 143 C CB . LYS A 0 20 . -11.583 9.256 -12.426 1.00 52.25 20 A 1 ATOM 144 O O . LYS A 0 20 . -13.633 9.803 -10.106 1.00 52.25 20 A 1 ATOM 145 C CG . LYS A 0 20 . -12.956 8.901 -13.021 1.00 52.25 20 A 1 ATOM 146 C CD . LYS A 0 20 . -12.802 8.079 -14.305 1.00 52.25 20 A 1 ATOM 147 C CE . LYS A 0 20 . -14.179 7.807 -14.920 1.00 52.25 20 A 1 ATOM 148 N NZ . LYS A 0 20 . -14.060 7.155 -16.248 1.00 52.25 20 A 1 ATOM 149 N N . ARG A 0 21 . -11.692 9.613 -8.995 1.00 46.92 21 A 1 ATOM 150 C CA . ARG A 0 21 . -12.273 9.270 -7.682 1.00 46.92 21 A 1 ATOM 151 C C . ARG A 0 21 . -12.485 10.482 -6.766 1.00 46.92 21 A 1 ATOM 152 C CB . ARG A 0 21 . -11.427 8.177 -7.012 1.00 46.92 21 A 1 ATOM 153 O O . ARG A 0 21 . -13.136 10.349 -5.738 1.00 46.92 21 A 1 ATOM 154 C CG . ARG A 0 21 . -11.623 6.825 -7.715 1.00 46.92 21 A 1 ATOM 155 C CD . ARG A 0 21 . -10.835 5.726 -7.000 1.00 46.92 21 A 1 ATOM 156 N NE . ARG A 0 21 . -11.117 4.400 -7.587 1.00 46.92 21 A 1 ATOM 157 N NH1 . ARG A 0 21 . -9.374 3.282 -6.606 1.00 46.92 21 A 1 ATOM 158 N NH2 . ARG A 0 21 . -10.771 2.178 -7.952 1.00 46.92 21 A 1 ATOM 159 C CZ . ARG A 0 21 . -10.422 3.297 -7.381 1.00 46.92 21 A 1 ATOM 160 N N . ASN A 0 22 . -12.024 11.669 -7.161 1.00 48.03 22 A 1 ATOM 161 C CA . ASN A 0 22 . -12.020 12.875 -6.329 1.00 48.03 22 A 1 ATOM 162 C C . ASN A 0 22 . -13.381 13.609 -6.220 1.00 48.03 22 A 1 ATOM 163 C CB . ASN A 0 22 . -10.872 13.789 -6.802 1.00 48.03 22 A 1 ATOM 164 O O . ASN A 0 22 . -13.416 14.813 -5.985 1.00 48.03 22 A 1 ATOM 165 C CG . ASN A 0 22 . -10.296 14.642 -5.686 1.00 48.03 22 A 1 ATOM 166 N ND2 . ASN A 0 22 . -9.659 15.739 -6.017 1.00 48.03 22 A 1 ATOM 167 O OD1 . ASN A 0 22 . -10.348 14.319 -4.515 1.00 48.03 22 A 1 ATOM 168 N N . THR A 0 23 . -14.510 12.911 -6.394 1.00 49.08 23 A 1 ATOM 169 C CA . THR A 0 23 . -15.862 13.438 -6.097 1.00 49.08 23 A 1 ATOM 170 C C . THR A 0 23 . -16.419 12.953 -4.757 1.00 49.08 23 A 1 ATOM 171 C CB . THR A 0 23 . -16.857 13.170 -7.236 1.00 49.08 23 A 1 ATOM 172 O O . THR A 0 23 . -17.543 13.288 -4.400 1.00 49.08 23 A 1 ATOM 173 C CG2 . THR A 0 23 . -16.523 14.011 -8.467 1.00 49.08 23 A 1 ATOM 174 O OG1 . THR A 0 23 . -16.834 11.813 -7.622 1.00 49.08 23 A 1 ATOM 175 N N . THR A 0 24 . -15.641 12.189 -3.995 1.00 46.99 24 A 1 ATOM 176 C CA . THR A 0 24 . -16.012 11.668 -2.674 1.00 46.99 24 A 1 ATOM 177 C C . THR A 0 24 . -14.744 11.543 -1.842 1.00 46.99 24 A 1 ATOM 178 C CB . THR A 0 24 . -16.684 10.280 -2.790 1.00 46.99 24 A 1 ATOM 179 O O . THR A 0 24 . -14.016 10.595 -2.070 1.00 46.99 24 A 1 ATOM 180 C CG2 . THR A 0 24 . -18.176 10.373 -3.101 1.00 46.99 24 A 1 ATOM 181 O OG1 . THR A 0 24 . -16.094 9.503 -3.815 1.00 46.99 24 A 1 ATOM 182 N N . GLU A 0 25 . -14.459 12.530 -0.983 1.00 49.54 25 A 1 ATOM 183 C CA . GLU A 0 25 . -13.638 12.540 0.261 1.00 49.54 25 A 1 ATOM 184 C C . GLU A 0 25 . -12.385 11.630 0.432 1.00 49.54 25 A 1 ATOM 185 C CB . GLU A 0 25 . -14.582 12.423 1.476 1.00 49.54 25 A 1 ATOM 186 O O . GLU A 0 25 . -11.832 11.548 1.530 1.00 49.54 25 A 1 ATOM 187 C CG . GLU A 0 25 . -15.689 13.494 1.486 1.00 49.54 25 A 1 ATOM 188 C CD . GLU A 0 25 . -16.423 13.568 2.836 1.00 49.54 25 A 1 ATOM 189 O OE1 . GLU A 0 25 . -16.725 14.703 3.267 1.00 49.54 25 A 1 ATOM 190 O OE2 . GLU A 0 25 . -16.682 12.500 3.442 1.00 49.54 25 A 1 ATOM 191 N N . ASP A 0 26 . -11.873 10.993 -0.616 1.00 45.09 26 A 1 ATOM 192 C CA . ASP A 0 26 . -10.855 9.948 -0.551 1.00 45.09 26 A 1 ATOM 193 C C . ASP A 0 26 . -9.491 10.507 -0.970 1.00 45.09 26 A 1 ATOM 194 C CB . ASP A 0 26 . -11.284 8.730 -1.391 1.00 45.09 26 A 1 ATOM 195 O O . ASP A 0 26 . -9.046 10.410 -2.116 1.00 45.09 26 A 1 ATOM 196 C CG . ASP A 0 26 . -12.415 7.891 -0.775 1.00 45.09 26 A 1 ATOM 197 O OD1 . ASP A 0 26 . -12.578 7.913 0.467 1.00 45.09 26 A 1 ATOM 198 O OD2 . ASP A 0 26 . -13.043 7.134 -1.553 1.00 45.09 26 A 1 ATOM 199 N N . SER A 0 27 . -8.794 11.103 -0.007 1.00 45.41 27 A 1 ATOM 200 C CA . SER A 0 27 . -7.424 11.584 -0.185 1.00 45.41 27 A 1 ATOM 201 C C . SER A 0 27 . -6.434 10.414 -0.173 1.00 45.41 27 A 1 ATOM 202 C CB . SER A 0 27 . -7.075 12.591 0.915 1.00 45.41 27 A 1 ATOM 203 O O . SER A 0 27 . -6.022 9.950 0.894 1.00 45.41 27 A 1 ATOM 204 O OG . SER A 0 27 . -7.994 13.664 0.911 1.00 45.41 27 A 1 ATOM 205 N N . VAL A 0 28 . -6.001 9.950 -1.349 1.00 49.41 28 A 1 ATOM 206 C CA . VAL A 0 28 . -4.818 9.079 -1.469 1.00 49.41 28 A 1 ATOM 207 C C . VAL A 0 28 . -3.575 9.965 -1.534 1.00 49.41 28 A 1 ATOM 208 C CB . VAL A 0 28 . -4.899 8.113 -2.668 1.00 49.41 28 A 1 ATOM 209 O O . VAL A 0 28 . -3.300 10.600 -2.551 1.00 49.41 28 A 1 ATOM 210 C CG1 . VAL A 0 28 . -3.729 7.117 -2.629 1.00 49.41 28 A 1 ATOM 211 C CG2 . VAL A 0 28 . -6.198 7.296 -2.651 1.00 49.41 28 A 1 ATOM 212 N N . GLY A 0 29 . -2.836 10.042 -0.428 1.00 51.19 29 A 1 ATOM 213 C CA . GLY A 0 29 . -1.573 10.776 -0.356 1.00 51.19 29 A 1 ATOM 214 C C . GLY A 0 29 . -0.406 9.921 -0.844 1.00 51.19 29 A 1 ATOM 215 O O . GLY A 0 29 . -0.184 8.825 -0.330 1.00 51.19 29 A 1 ATOM 216 N N . PHE A 0 30 . 0.361 10.437 -1.803 1.00 52.51 30 A 1 ATOM 217 C CA . PHE A 0 30 . 1.643 9.867 -2.215 1.00 52.51 30 A 1 ATOM 218 C C . PHE A 0 30 . 2.762 10.779 -1.719 1.00 52.51 30 A 1 ATOM 219 C CB . PHE A 0 30 . 1.694 9.698 -3.740 1.00 52.51 30 A 1 ATOM 220 O O . PHE A 0 30 . 2.808 11.950 -2.091 1.00 52.51 30 A 1 ATOM 221 C CG . PHE A 0 30 . 0.659 8.735 -4.286 1.00 52.51 30 A 1 ATOM 222 C CD1 . PHE A 0 30 . 0.916 7.351 -4.291 1.00 52.51 30 A 1 ATOM 223 C CD2 . PHE A 0 30 . -0.571 9.220 -4.769 1.00 52.51 30 A 1 ATOM 224 C CE1 . PHE A 0 30 . -0.051 6.456 -4.782 1.00 52.51 30 A 1 ATOM 225 C CE2 . PHE A 0 30 . -1.536 8.325 -5.261 1.00 52.51 30 A 1 ATOM 226 C CZ . PHE A 0 30 . -1.277 6.944 -5.268 1.00 52.51 30 A 1 ATOM 227 N N . ASN A 0 31 . 3.663 10.252 -0.888 1.00 50.09 31 A 1 ATOM 228 C CA . ASN A 0 31 . 4.864 10.978 -0.478 1.00 50.09 31 A 1 ATOM 229 C C . ASN A 0 31 . 6.034 10.527 -1.359 1.00 50.09 31 A 1 ATOM 230 C CB . ASN A 0 31 . 5.096 10.804 1.041 1.00 50.09 31 A 1 ATOM 231 O O . ASN A 0 31 . 6.554 9.418 -1.196 1.00 50.09 31 A 1 ATOM 232 C CG . ASN A 0 31 . 5.155 12.126 1.793 1.00 50.09 31 A 1 ATOM 233 N ND2 . ASN A 0 31 . 4.909 12.113 3.082 1.00 50.09 31 A 1 ATOM 234 O OD1 . ASN A 0 31 . 5.423 13.184 1.257 1.00 50.09 31 A 1 ATOM 235 N N . LEU A 0 32 . 6.407 11.370 -2.325 1.00 51.93 32 A 1 ATOM 236 C CA . LEU A 0 32 . 7.586 11.167 -3.164 1.00 51.93 32 A 1 ATOM 237 C C . LEU A 0 32 . 8.781 11.905 -2.562 1.00 51.93 32 A 1 ATOM 238 C CB . LEU A 0 32 . 7.330 11.633 -4.610 1.00 51.93 32 A 1 ATOM 239 O O . LEU A 0 32 . 8.727 13.115 -2.358 1.00 51.93 32 A 1 ATOM 240 C CG . LEU A 0 32 . 6.490 10.645 -5.446 1.00 51.93 32 A 1 ATOM 241 C CD1 . LEU A 0 32 . 5.081 11.181 -5.703 1.00 51.93 32 A 1 ATOM 242 C CD2 . LEU A 0 32 . 7.159 10.380 -6.797 1.00 51.93 32 A 1 ATOM 243 N N . HIS A 0 33 . 9.881 11.189 -2.344 1.00 47.31 33 A 1 ATOM 244 C CA . HIS A 0 33 . 11.175 11.779 -2.005 1.00 47.31 33 A 1 ATOM 245 C C . HIS A 0 33 . 12.230 11.206 -2.953 1.00 47.31 33 A 1 ATOM 246 C CB . HIS A 0 33 . 11.495 11.484 -0.541 1.00 47.31 33 A 1 ATOM 247 O O . HIS A 0 33 . 12.377 9.989 -3.050 1.00 47.31 33 A 1 ATOM 248 C CG . HIS A 0 33 . 12.755 12.137 -0.039 1.00 47.31 33 A 1 ATOM 249 C CD2 . HIS A 0 33 . 12.888 13.422 0.416 1.00 47.31 33 A 1 ATOM 250 N ND1 . HIS A 0 33 . 13.990 11.539 0.063 1.00 47.31 33 A 1 ATOM 251 C CE1 . HIS A 0 33 . 14.849 12.443 0.563 1.00 47.31 33 A 1 ATOM 252 N NE2 . HIS A 0 33 . 14.222 13.605 0.793 1.00 47.31 33 A 1 ATOM 253 N N . ASN A 0 34 . 12.940 12.071 -3.683 1.00 46.81 34 A 1 ATOM 254 C CA . ASN A 0 34 . 13.979 11.697 -4.658 1.00 46.81 34 A 1 ATOM 255 C C . ASN A 0 34 . 13.542 10.650 -5.706 1.00 46.81 34 A 1 ATOM 256 C CB . ASN A 0 34 . 15.269 11.311 -3.907 1.00 46.81 34 A 1 ATOM 257 O O . ASN A 0 34 . 14.304 9.753 -6.049 1.00 46.81 34 A 1 ATOM 258 C CG . ASN A 0 34 . 15.889 12.470 -3.156 1.00 46.81 34 A 1 ATOM 259 N ND2 . ASN A 0 34 . 16.856 12.204 -2.311 1.00 46.81 34 A 1 ATOM 260 O OD1 . ASN A 0 34 . 15.534 13.622 -3.328 1.00 46.81 34 A 1 ATOM 261 N N . GLY A 0 35 . 12.302 10.731 -6.201 1.00 53.24 35 A 1 ATOM 262 C CA . GLY A 0 35 . 11.768 9.767 -7.177 1.00 53.24 35 A 1 ATOM 263 C C . GLY A 0 35 . 11.354 8.416 -6.583 1.00 53.24 35 A 1 ATOM 264 O O . GLY A 0 35 . 10.867 7.558 -7.314 1.00 53.24 35 A 1 ATOM 265 N N . HIS A 0 36 . 11.480 8.237 -5.265 1.00 46.99 36 A 1 ATOM 266 C CA . HIS A 0 36 . 11.038 7.043 -4.560 1.00 46.99 36 A 1 ATOM 267 C C . HIS A 0 36 . 9.691 7.299 -3.874 1.00 46.99 36 A 1 ATOM 268 C CB . HIS A 0 36 . 12.130 6.592 -3.578 1.00 46.99 36 A 1 ATOM 269 O O . HIS A 0 36 . 9.528 8.271 -3.128 1.00 46.99 36 A 1 ATOM 270 C CG . HIS A 0 36 . 12.328 5.100 -3.580 1.00 46.99 36 A 1 ATOM 271 C CD2 . HIS A 0 36 . 13.245 4.411 -4.332 1.00 46.99 36 A 1 ATOM 272 N ND1 . HIS A 0 36 . 11.628 4.173 -2.840 1.00 46.99 36 A 1 ATOM 273 C CE1 . HIS A 0 36 . 12.133 2.960 -3.122 1.00 46.99 36 A 1 ATOM 274 N NE2 . HIS A 0 36 . 13.114 3.054 -4.031 1.00 46.99 36 A 1 ATOM 275 N N . VAL A 0 37 . 8.717 6.418 -4.112 1.00 53.06 37 A 1 ATOM 276 C CA . VAL A 0 37 . 7.467 6.393 -3.342 1.00 53.06 37 A 1 ATOM 277 C C . VAL A 0 37 . 7.807 5.793 -1.981 1.00 53.06 37 A 1 ATOM 278 C CB . VAL A 0 37 . 6.362 5.603 -4.072 1.00 53.06 37 A 1 ATOM 279 O O . VAL A 0 37 . 8.057 4.595 -1.874 1.00 53.06 37 A 1 ATOM 280 C CG1 . VAL A 0 37 . 5.060 5.586 -3.258 1.00 53.06 37 A 1 ATOM 281 C CG2 . VAL A 0 37 . 6.050 6.232 -5.438 1.00 53.06 37 A 1 ATOM 282 N N . LEU A 0 38 . 7.890 6.635 -0.950 1.00 50.83 38 A 1 ATOM 283 C CA . LEU A 0 38 . 8.291 6.203 0.394 1.00 50.83 38 A 1 ATOM 284 C C . LEU A 0 38 . 7.137 5.580 1.179 1.00 50.83 38 A 1 ATOM 285 C CB . LEU A 0 38 . 8.865 7.399 1.169 1.00 50.83 38 A 1 ATOM 286 O O . LEU A 0 38 . 7.371 4.788 2.089 1.00 50.83 38 A 1 ATOM 287 C CG . LEU A 0 38 . 10.308 7.783 0.802 1.00 50.83 38 A 1 ATOM 288 C CD1 . LEU A 0 38 . 10.664 9.033 1.603 1.00 50.83 38 A 1 ATOM 289 C CD2 . LEU A 0 38 . 11.323 6.699 1.177 1.00 50.83 38 A 1 ATOM 290 N N . ASN A 0 39 . 5.896 5.961 0.873 1.00 47.04 39 A 1 ATOM 291 C CA . ASN A 0 39 . 4.735 5.455 1.585 1.00 47.04 39 A 1 ATOM 292 C C . ASN A 0 39 . 3.453 5.686 0.778 1.00 47.04 39 A 1 ATOM 293 C CB . ASN A 0 39 . 4.666 6.151 2.960 1.00 47.04 39 A 1 ATOM 294 O O . ASN A 0 39 . 3.240 6.776 0.241 1.00 47.04 39 A 1 ATOM 295 C CG . ASN A 0 39 . 3.883 5.363 3.988 1.00 47.04 39 A 1 ATOM 296 N ND2 . ASN A 0 39 . 3.659 5.939 5.144 1.00 47.04 39 A 1 ATOM 297 O OD1 . ASN A 0 39 . 3.471 4.234 3.788 1.00 47.04 39 A 1 ATOM 298 N N . VAL A 0 40 . 2.595 4.668 0.739 1.00 52.19 40 A 1 ATOM 299 C CA . VAL A 0 40 . 1.225 4.763 0.226 1.00 52.19 40 A 1 ATOM 300 C C . VAL A 0 40 . 0.301 4.610 1.423 1.00 52.19 40 A 1 ATOM 301 C CB . VAL A 0 40 . 0.936 3.712 -0.866 1.00 52.19 40 A 1 ATOM 302 O O . VAL A 0 40 . 0.009 3.502 1.865 1.00 52.19 40 A 1 ATOM 303 C CG1 . VAL A 0 40 . -0.495 3.860 -1.404 1.00 52.19 40 A 1 ATOM 304 C CG2 . VAL A 0 40 . 1.894 3.861 -2.054 1.00 52.19 40 A 1 ATOM 305 N N . THR A 0 41 . -0.145 5.728 1.983 1.00 49.82 41 A 1 ATOM 306 C CA . THR A 0 41 . -1.146 5.718 3.053 1.00 49.82 41 A 1 ATOM 307 C C . THR A 0 41 . -2.527 5.793 2.436 1.00 49.82 41 A 1 ATOM 308 C CB . THR A 0 41 . -0.943 6.857 4.055 1.00 49.82 41 A 1 ATOM 309 O O . THR A 0 41 . -2.925 6.831 1.909 1.00 49.82 41 A 1 ATOM 310 C CG2 . THR A 0 41 . 0.216 6.542 4.994 1.00 49.82 41 A 1 ATOM 311 O OG1 . THR A 0 41 . -0.644 8.055 3.379 1.00 49.82 41 A 1 ATOM 312 N N . ASN A 0 42 . -3.260 4.686 2.506 1.00 50.14 42 A 1 ATOM 313 C CA . ASN A 0 42 . -4.664 4.665 2.147 1.00 50.14 42 A 1 ATOM 314 C C . ASN A 0 42 . -5.491 4.895 3.417 1.00 50.14 42 A 1 ATOM 315 C CB . ASN A 0 42 . -4.967 3.348 1.414 1.00 50.14 42 A 1 ATOM 316 O O . ASN A 0 42 . -5.535 4.030 4.291 1.00 50.14 42 A 1 ATOM 317 C CG . ASN A 0 42 . -6.223 3.446 0.575 1.00 50.14 42 A 1 ATOM 318 N ND2 . ASN A 0 42 . -6.545 2.415 -0.168 1.00 50.14 42 A 1 ATOM 319 O OD1 . ASN A 0 42 . -6.936 4.430 0.576 1.00 50.14 42 A 1 ATOM 320 N N . ASN A 0 43 . -6.134 6.055 3.530 1.00 50.97 43 A 1 ATOM 321 C CA . ASN A 0 43 . -7.069 6.347 4.616 1.00 50.97 43 A 1 ATOM 322 C C . ASN A 0 43 . -8.436 5.723 4.316 1.00 50.97 43 A 1 ATOM 323 C CB . ASN A 0 43 . -7.145 7.863 4.859 1.00 50.97 43 A 1 ATOM 324 O O . ASN A 0 43 . -9.456 6.407 4.357 1.00 50.97 43 A 1 ATOM 325 C CG . ASN A 0 43 . -5.894 8.428 5.495 1.00 50.97 43 A 1 ATOM 326 N ND2 . ASN A 0 43 . -5.514 9.624 5.118 1.00 50.97 43 A 1 ATOM 327 O OD1 . ASN A 0 43 . -5.258 7.824 6.343 1.00 50.97 43 A 1 ATOM 328 N N . LEU A 0 44 . -8.466 4.422 4.012 1.00 48.63 44 A 1 ATOM 329 C CA . LEU A 0 44 . -9.731 3.707 3.929 1.00 48.63 44 A 1 ATOM 330 C C . LEU A 0 44 . -10.344 3.738 5.326 1.00 48.63 44 A 1 ATOM 331 C CB . LEU A 0 44 . -9.560 2.256 3.434 1.00 48.63 44 A 1 ATOM 332 O O . LEU A 0 44 . -9.961 2.969 6.209 1.00 48.63 44 A 1 ATOM 333 C CG . LEU A 0 44 . -8.988 2.121 2.021 1.00 48.63 44 A 1 ATOM 334 C CD1 . LEU A 0 44 . -8.774 0.647 1.672 1.00 48.63 44 A 1 ATOM 335 C CD2 . LEU A 0 44 . -9.865 2.760 0.942 1.00 48.63 44 A 1 ATOM 336 N N . LYS A 0 45 . -11.337 4.603 5.530 1.00 49.69 45 A 1 ATOM 337 C CA . LYS A 0 45 . -12.418 4.229 6.430 1.00 49.69 45 A 1 ATOM 338 C C . LYS A 0 45 . -13.008 2.979 5.797 1.00 49.69 45 A 1 ATOM 339 C CB . LYS A 0 45 . -13.451 5.358 6.562 1.00 49.69 45 A 1 ATOM 340 O O . LYS A 0 45 . -13.687 3.071 4.778 1.00 49.69 45 A 1 ATOM 341 C CG . LYS A 0 45 . -12.998 6.442 7.550 1.00 49.69 45 A 1 ATOM 342 C CD . LYS A 0 45 . -14.064 7.542 7.635 1.00 49.69 45 A 1 ATOM 343 C CE . LYS A 0 45 . -13.666 8.634 8.633 1.00 49.69 45 A 1 ATOM 344 N NZ . LYS A 0 45 . -14.599 9.787 8.547 1.00 49.69 45 A 1 ATOM 345 N N . GLU A 0 46 . -12.690 1.810 6.352 1.00 47.12 46 A 1 ATOM 346 C CA . GLU A 0 46 . -13.513 0.622 6.149 1.00 47.12 46 A 1 ATOM 347 C C . GLU A 0 46 . -14.939 1.083 6.434 1.00 47.12 46 A 1 ATOM 348 C CB . GLU A 0 46 . -13.092 -0.520 7.099 1.00 47.12 46 A 1 ATOM 349 O O . GLU A 0 46 . -15.276 1.406 7.574 1.00 47.12 46 A 1 ATOM 350 C CG . GLU A 0 46 . -12.502 -1.718 6.342 1.00 47.12 46 A 1 ATOM 351 C CD . GLU A 0 46 . -12.092 -2.881 7.268 1.00 47.12 46 A 1 ATOM 352 O OE1 . GLU A 0 46 . -11.776 -3.961 6.720 1.00 47.12 46 A 1 ATOM 353 O OE2 . GLU A 0 46 . -12.090 -2.701 8.508 1.00 47.12 46 A 1 ATOM 354 N N . GLY A 0 47 . -15.728 1.267 5.375 1.00 51.04 47 A 1 ATOM 355 C CA . GLY A 0 47 . -17.108 1.678 5.508 1.00 51.04 47 A 1 ATOM 356 C C . GLY A 0 47 . -17.784 0.637 6.378 1.00 51.04 47 A 1 ATOM 357 O O . GLY A 0 47 . -18.015 -0.485 5.924 1.00 51.04 47 A 1 ATOM 358 N N . GLU A 0 48 . -18.058 0.986 7.638 1.00 47.77 48 A 1 ATOM 359 C CA . GLU A 0 48 . -18.938 0.211 8.496 1.00 47.77 48 A 1 ATOM 360 C C . GLU A 0 48 . -20.237 0.045 7.712 1.00 47.77 48 A 1 ATOM 361 C CB . GLU A 0 48 . -19.211 0.914 9.844 1.00 47.77 48 A 1 ATOM 362 O O . GLU A 0 48 . -21.029 0.982 7.571 1.00 47.77 48 A 1 ATOM 363 C CG . GLU A 0 48 . -18.208 0.562 10.954 1.00 47.77 48 A 1 ATOM 364 C CD . GLU A 0 48 . -18.619 1.158 12.316 1.00 47.77 48 A 1 ATOM 365 O OE1 . GLU A 0 48 . -18.530 0.432 13.336 1.00 47.77 48 A 1 ATOM 366 O OE2 . GLU A 0 48 . -19.032 2.342 12.346 1.00 47.77 48 A 1 ATOM 367 N N . LYS A 0 49 . -20.454 -1.155 7.164 1.00 55.03 49 A 1 ATOM 368 C CA . LYS A 0 49 . -21.767 -1.561 6.688 1.00 55.03 49 A 1 ATOM 369 C C . LYS A 0 49 . -22.691 -1.494 7.899 1.00 55.03 49 A 1 ATOM 370 C CB . LYS A 0 49 . -21.736 -2.975 6.078 1.00 55.03 49 A 1 ATOM 371 O O . LYS A 0 49 . -22.767 -2.445 8.676 1.00 55.03 49 A 1 ATOM 372 C CG . LYS A 0 49 . -21.186 -3.012 4.645 1.00 55.03 49 A 1 ATOM 373 C CD . LYS A 0 49 . -21.312 -4.434 4.073 1.00 55.03 49 A 1 ATOM 374 C CE . LYS A 0 49 . -20.849 -4.476 2.612 1.00 55.03 49 A 1 ATOM 375 N NZ . LYS A 0 49 . -20.977 -5.839 2.036 1.00 55.03 49 A 1 ATOM 376 N N . LYS A 0 50 . -23.409 -0.378 8.052 1.00 54.01 50 A 1 ATOM 377 C CA . LYS A 0 50 . -24.618 -0.314 8.871 1.00 54.01 50 A 1 ATOM 378 C C . LYS A 0 50 . -25.637 -1.249 8.227 1.00 54.01 50 A 1 ATOM 379 C CB . LYS A 0 50 . -25.153 1.124 8.982 1.00 54.01 50 A 1 ATOM 380 O O . LYS A 0 50 . -26.430 -0.844 7.386 1.00 54.01 50 A 1 ATOM 381 C CG . LYS A 0 50 . -24.319 2.007 9.922 1.00 54.01 50 A 1 ATOM 382 C CD . LYS A 0 50 . -25.040 3.341 10.163 1.00 54.01 50 A 1 ATOM 383 C CE . LYS A 0 50 . -24.248 4.220 11.135 1.00 54.01 50 A 1 ATOM 384 N NZ . LYS A 0 50 . -24.952 5.501 11.401 1.00 54.01 50 A 1 ATOM 385 N N . THR A 0 51 . -25.585 -2.522 8.594 1.00 48.91 51 A 1 ATOM 386 C CA . THR A 0 51 . -26.702 -3.443 8.391 1.00 48.91 51 A 1 ATOM 387 C C . THR A 0 51 . -27.711 -3.139 9.490 1.00 48.91 51 A 1 ATOM 388 C CB . THR A 0 51 . -26.257 -4.917 8.335 1.00 48.91 51 A 1 ATOM 389 O O . THR A 0 51 . -27.686 -3.709 10.574 1.00 48.91 51 A 1 ATOM 390 C CG2 . THR A 0 51 . -25.935 -5.315 6.894 1.00 48.91 51 A 1 ATOM 391 O OG1 . THR A 0 51 . -25.076 -5.152 9.075 1.00 48.91 51 A 1 ATOM 392 N N . GLY A 0 52 . -28.547 -2.133 9.226 1.00 50.69 52 A 1 ATOM 393 C CA . GLY A 0 52 . -29.790 -1.928 9.951 1.00 50.69 52 A 1 ATOM 394 C C . GLY A 0 52 . -30.774 -2.994 9.493 1.00 50.69 52 A 1 ATOM 395 O O . GLY A 0 52 . -31.274 -2.951 8.371 1.00 50.69 52 A 1 ATOM 396 N N . SER A 0 53 . -31.006 -3.990 10.333 1.00 57.19 53 A 1 ATOM 397 C CA . SER A 0 53 . -32.122 -4.916 10.182 1.00 57.19 53 A 1 ATOM 398 C C . SER A 0 53 . -32.799 -5.004 11.539 1.00 57.19 53 A 1 ATOM 399 C CB . SER A 0 53 . -31.661 -6.270 9.631 1.00 57.19 53 A 1 ATOM 400 O O . SER A 0 53 . -32.435 -5.823 12.378 1.00 57.19 53 A 1 ATOM 401 O OG . SER A 0 53 . -31.098 -6.077 8.343 1.00 57.19 53 A 1 ATOM 402 N N . ASP A 0 54 . -33.746 -4.093 11.760 1.00 58.17 54 A 1 ATOM 403 C CA . ASP A 0 54 . -34.713 -4.177 12.849 1.00 58.17 54 A 1 ATOM 404 C C . ASP A 0 54 . -35.634 -5.373 12.580 1.00 58.17 54 A 1 ATOM 405 C CB . ASP A 0 54 . -35.523 -2.868 12.962 1.00 58.17 54 A 1 ATOM 406 O O . ASP A 0 54 . -36.683 -5.253 11.949 1.00 58.17 54 A 1 ATOM 407 C CG . ASP A 0 54 . -34.766 -1.725 13.643 1.00 58.17 54 A 1 ATOM 408 O OD1 . ASP A 0 54 . -34.017 -2.011 14.604 1.00 58.17 54 A 1 ATOM 409 O OD2 . ASP A 0 54 . -34.954 -0.570 13.204 1.00 58.17 54 A 1 ATOM 410 N N . SER A 0 55 . -35.241 -6.559 13.039 1.00 62.47 55 A 1 ATOM 411 C CA . SER A 0 55 . -36.167 -7.678 13.200 1.00 62.47 55 A 1 ATOM 412 C C . SER A 0 55 . -36.726 -7.637 14.622 1.00 62.47 55 A 1 ATOM 413 C CB . SER A 0 55 . -35.508 -9.012 12.836 1.00 62.47 55 A 1 ATOM 414 O O . SER A 0 55 . -36.163 -8.221 15.550 1.00 62.47 55 A 1 ATOM 415 O OG . SER A 0 55 . -34.369 -9.243 13.636 1.00 62.47 55 A 1 ATOM 416 N N . ASN A 0 56 . -37.835 -6.916 14.798 1.00 55.56 56 A 1 ATOM 417 C CA . ASN A 0 56 . -38.653 -6.977 16.007 1.00 55.56 56 A 1 ATOM 418 C C . ASN A 0 56 . -39.389 -8.329 16.059 1.00 55.56 56 A 1 ATOM 419 C CB . ASN A 0 56 . -39.623 -5.769 16.046 1.00 55.56 56 A 1 ATOM 420 O O . ASN A 0 56 . -40.537 -8.436 15.631 1.00 55.56 56 A 1 ATOM 421 C CG . ASN A 0 56 . -39.157 -4.613 16.913 1.00 55.56 56 A 1 ATOM 422 N ND2 . ASN A 0 56 . -39.776 -3.464 16.780 1.00 55.56 56 A 1 ATOM 423 O OD1 . ASN A 0 56 . -38.290 -4.728 17.760 1.00 55.56 56 A 1 ATOM 424 N N . GLU A 0 57 . -38.748 -9.363 16.611 1.00 62.06 57 A 1 ATOM 425 C CA . GLU A 0 57 . -39.409 -10.627 16.958 1.00 62.06 57 A 1 ATOM 426 C C . GLU A 0 57 . -39.540 -10.809 18.479 1.00 62.06 57 A 1 ATOM 427 C CB . GLU A 0 57 . -38.789 -11.845 16.253 1.00 62.06 57 A 1 ATOM 428 O O . GLU A 0 57 . -38.614 -11.173 19.197 1.00 62.06 57 A 1 ATOM 429 C CG . GLU A 0 57 . -39.484 -12.117 14.905 1.00 62.06 57 A 1 ATOM 430 C CD . GLU A 0 57 . -39.138 -13.494 14.320 1.00 62.06 57 A 1 ATOM 431 O OE1 . GLU A 0 57 . -40.016 -14.050 13.624 1.00 62.06 57 A 1 ATOM 432 O OE2 . GLU A 0 57 . -38.029 -13.998 14.607 1.00 62.06 57 A 1 ATOM 433 N N . ARG A 0 58 . -40.759 -10.504 18.937 1.00 60.40 58 A 1 ATOM 434 C CA . ARG A 0 58 . -41.606 -11.229 19.902 1.00 60.40 58 A 1 ATOM 435 C C . ARG A 0 58 . -40.921 -11.939 21.086 1.00 60.40 58 A 1 ATOM 436 C CB . ARG A 0 58 . -42.497 -12.183 19.085 1.00 60.40 58 A 1 ATOM 437 O O . ARG A 0 58 . -40.298 -12.988 20.971 1.00 60.40 58 A 1 ATOM 438 C CG . ARG A 0 58 . -43.909 -12.299 19.668 1.00 60.40 58 A 1 ATOM 439 C CD . ARG A 0 58 . -44.800 -13.078 18.693 1.00 60.40 58 A 1 ATOM 440 N NE . ARG A 0 58 . -46.232 -12.905 19.005 1.00 60.40 58 A 1 ATOM 441 N NH1 . ARG A 0 58 . -47.050 -14.005 17.161 1.00 60.40 58 A 1 ATOM 442 N NH2 . ARG A 0 58 . -48.468 -13.053 18.593 1.00 60.40 58 A 1 ATOM 443 C CZ . ARG A 0 58 . -47.239 -13.320 18.255 1.00 60.40 58 A 1 ATOM 444 N N . GLY A 0 59 . -41.182 -11.389 22.271 1.00 52.34 59 A 1 ATOM 445 C CA . GLY A 0 59 . -40.591 -11.787 23.540 1.00 52.34 59 A 1 ATOM 446 C C . GLY A 0 59 . -40.889 -13.189 24.077 1.00 52.34 59 A 1 ATOM 447 O O . GLY A 0 59 . -41.880 -13.840 23.750 1.00 52.34 59 A 1 ATOM 448 N N . LYS A 0 60 . -40.037 -13.570 25.035 1.00 64.55 60 A 1 ATOM 449 C CA . LYS A 0 60 . -40.343 -14.461 26.157 1.00 64.55 60 A 1 ATOM 450 C C . LYS A 0 60 . -39.634 -13.921 27.400 1.00 64.55 60 A 1 ATOM 451 C CB . LYS A 0 60 . -39.933 -15.915 25.859 1.00 64.55 60 A 1 ATOM 452 O O . LYS A 0 60 . -38.439 -13.642 27.368 1.00 64.55 60 A 1 ATOM 453 C CG . LYS A 0 60 . -40.877 -16.577 24.842 1.00 64.55 60 A 1 ATOM 454 C CD . LYS A 0 60 . -40.591 -18.069 24.651 1.00 64.55 60 A 1 ATOM 455 C CE . LYS A 0 60 . -41.612 -18.644 23.659 1.00 64.55 60 A 1 ATOM 456 N NZ . LYS A 0 60 . -41.330 -20.064 23.328 1.00 64.55 60 A 1 ATOM 457 N N . ASN A 0 61 . -40.389 -13.761 28.481 1.00 60.20 61 A 1 ATOM 458 C CA . ASN A 0 61 . -39.911 -13.308 29.785 1.00 60.20 61 A 1 ATOM 459 C C . ASN A 0 61 . -38.792 -14.231 30.300 1.00 60.20 61 A 1 ATOM 460 C CB . ASN A 0 61 . -41.119 -13.298 30.747 1.00 60.20 61 A 1 ATOM 461 O O . ASN A 0 61 . -39.051 -15.380 30.651 1.00 60.20 61 A 1 ATOM 462 C CG . ASN A 0 61 . -42.163 -12.253 30.394 1.00 60.20 61 A 1 ATOM 463 N ND2 . ASN A 0 61 . -43.397 -12.437 30.800 1.00 60.20 61 A 1 ATOM 464 O OD1 . ASN A 0 61 . -41.884 -11.264 29.746 1.00 60.20 61 A 1 ATOM 465 N N . GLY A 0 62 . -37.557 -13.731 30.357 1.00 59.25 62 A 1 ATOM 466 C CA . GLY A 0 62 . -36.403 -14.430 30.924 1.00 59.25 62 A 1 ATOM 467 C C . GLY A 0 62 . -35.875 -13.685 32.147 1.00 59.25 62 A 1 ATOM 468 O O . GLY A 0 62 . -35.373 -12.570 32.023 1.00 59.25 62 A 1 ATOM 469 N N . LYS A 0 63 . -36.008 -14.296 33.331 1.00 64.32 63 A 1 ATOM 470 C CA . LYS A 0 63 . -35.446 -13.806 34.601 1.00 64.32 63 A 1 ATOM 471 C C . LYS A 0 63 . -33.948 -13.501 34.441 1.00 64.32 63 A 1 ATOM 472 C CB . LYS A 0 63 . -35.680 -14.844 35.715 1.00 64.32 63 A 1 ATOM 473 O O . LYS A 0 63 . -33.198 -14.302 33.889 1.00 64.32 63 A 1 ATOM 474 C CG . LYS A 0 63 . -37.126 -14.848 36.241 1.00 64.32 63 A 1 ATOM 475 C CD . LYS A 0 63 . -37.330 -15.948 37.296 1.00 64.32 63 A 1 ATOM 476 C CE . LYS A 0 63 . -38.737 -15.872 37.908 1.00 64.32 63 A 1 ATOM 477 N NZ . LYS A 0 63 . -38.989 -16.980 38.868 1.00 64.32 63 A 1 ATOM 478 N N . GLY A 0 64 . -33.545 -12.321 34.911 1.00 55.42 64 A 1 ATOM 479 C CA . GLY A 0 64 . -32.241 -11.720 34.656 1.00 55.42 64 A 1 ATOM 480 C C . GLY A 0 64 . -31.045 -12.502 35.200 1.00 55.42 64 A 1 ATOM 481 O O . GLY A 0 64 . -31.039 -12.959 36.338 1.00 55.42 64 A 1 ATOM 482 N N . ASN A 0 65 . -29.987 -12.550 34.390 1.00 69.25 65 A 1 ATOM 483 C CA . ASN A 0 65 . -28.625 -12.806 34.836 1.00 69.25 65 A 1 ATOM 484 C C . ASN A 0 65 . -27.753 -11.630 34.367 1.00 69.25 65 A 1 ATOM 485 C CB . ASN A 0 65 . -28.156 -14.178 34.318 1.00 69.25 65 A 1 ATOM 486 O O . ASN A 0 65 . -27.552 -11.429 33.166 1.00 69.25 65 A 1 ATOM 487 C CG . ASN A 0 65 . -26.863 -14.622 34.978 1.00 69.25 65 A 1 ATOM 488 N ND2 . ASN A 0 65 . -26.201 -15.620 34.444 1.00 69.25 65 A 1 ATOM 489 O OD1 . ASN A 0 65 . -26.426 -14.080 35.975 1.00 69.25 65 A 1 ATOM 490 N N . LYS A 0 66 . -27.297 -10.797 35.309 1.00 66.82 66 A 1 ATOM 491 C CA . LYS A 0 66 . -26.545 -9.559 35.053 1.00 66.82 66 A 1 ATOM 492 C C . LYS A 0 66 . -25.128 -9.919 34.587 1.00 66.82 66 A 1 ATOM 493 C CB . LYS A 0 66 . -26.595 -8.697 36.335 1.00 66.82 66 A 1 ATOM 494 O O . LYS A 0 66 . -24.223 -10.077 35.401 1.00 66.82 66 A 1 ATOM 495 C CG . LYS A 0 66 . -26.175 -7.225 36.158 1.00 66.82 66 A 1 ATOM 496 C CD . LYS A 0 66 . -26.410 -6.445 37.469 1.00 66.82 66 A 1 ATOM 497 C CE . LYS A 0 66 . -26.153 -4.938 37.306 1.00 66.82 66 A 1 ATOM 498 N NZ . LYS A 0 66 . -26.486 -4.178 38.542 1.00 66.82 66 A 1 ATOM 499 N N . ARG A 0 67 . -24.923 -10.082 33.276 1.00 65.87 67 A 1 ATOM 500 C CA . ARG A 0 67 . -23.582 -10.283 32.700 1.00 65.87 67 A 1 ATOM 501 C C . ARG A 0 67 . -22.772 -8.990 32.839 1.00 65.87 67 A 1 ATOM 502 C CB . ARG A 0 67 . -23.670 -10.771 31.241 1.00 65.87 67 A 1 ATOM 503 O O . ARG A 0 67 . -23.226 -7.927 32.422 1.00 65.87 67 A 1 ATOM 504 C CG . ARG A 0 67 . -24.104 -12.246 31.159 1.00 65.87 67 A 1 ATOM 505 C CD . ARG A 0 67 . -24.151 -12.743 29.706 1.00 65.87 67 A 1 ATOM 506 N NE . ARG A 0 67 . -24.320 -14.210 29.635 1.00 65.87 67 A 1 ATOM 507 N NH1 . ARG A 0 67 . -24.758 -14.378 27.382 1.00 65.87 67 A 1 ATOM 508 N NH2 . ARG A 0 67 . -24.638 -16.227 28.616 1.00 65.87 67 A 1 ATOM 509 C CZ . ARG A 0 67 . -24.571 -14.927 28.550 1.00 65.87 67 A 1 ATOM 510 N N . LYS A 0 68 . -21.582 -9.084 33.447 1.00 71.51 68 A 1 ATOM 511 C CA . LYS A 0 68 . -20.606 -7.985 33.519 1.00 71.51 68 A 1 ATOM 512 C C . LYS A 0 68 . -20.260 -7.549 32.092 1.00 71.51 68 A 1 ATOM 513 C CB . LYS A 0 68 . -19.342 -8.415 34.292 1.00 71.51 68 A 1 ATOM 514 O O . LYS A 0 68 . -19.943 -8.393 31.258 1.00 71.51 68 A 1 ATOM 515 C CG . LYS A 0 68 . -19.591 -8.628 35.798 1.00 71.51 68 A 1 ATOM 516 C CD . LYS A 0 68 . -18.271 -8.842 36.562 1.00 71.51 68 A 1 ATOM 517 C CE . LYS A 0 68 . -18.516 -8.975 38.074 1.00 71.51 68 A 1 ATOM 518 N NZ . LYS A 0 68 . -17.244 -9.119 38.833 1.00 71.51 68 A 1 ATOM 519 N N . GLY A 0 69 . -20.369 -6.250 31.815 1.00 54.80 69 A 1 ATOM 520 C CA . GLY A 0 69 . -20.080 -5.679 30.504 1.00 54.80 69 A 1 ATOM 521 C C . GLY A 0 69 . -18.633 -5.954 30.110 1.00 54.80 69 A 1 ATOM 522 O O . GLY A 0 69 . -17.711 -5.420 30.719 1.00 54.80 69 A 1 ATOM 523 N N . VAL A 0 70 . -18.437 -6.806 29.107 1.00 69.52 70 A 1 ATOM 524 C CA . VAL A 0 70 . -17.142 -6.967 28.449 1.00 69.52 70 A 1 ATOM 525 C C . VAL A 0 70 . -16.942 -5.730 27.585 1.00 69.52 70 A 1 ATOM 526 C CB . VAL A 0 70 . -17.081 -8.272 27.632 1.00 69.52 70 A 1 ATOM 527 O O . VAL A 0 70 . -17.703 -5.484 26.648 1.00 69.52 70 A 1 ATOM 528 C CG1 . VAL A 0 70 . -15.751 -8.414 26.883 1.00 69.52 70 A 1 ATOM 529 C CG2 . VAL A 0 70 . -17.235 -9.489 28.556 1.00 69.52 70 A 1 ATOM 530 N N . GLN A 0 71 . -15.949 -4.917 27.937 1.00 67.92 71 A 1 ATOM 531 C CA . GLN A 0 71 . -15.575 -3.739 27.169 1.00 67.92 71 A 1 ATOM 532 C C . GLN A 0 71 . -15.066 -4.198 25.796 1.00 67.92 71 A 1 ATOM 533 C CB . GLN A 0 71 . -14.552 -2.932 27.982 1.00 67.92 71 A 1 ATOM 534 O O . GLN A 0 71 . -14.061 -4.898 25.688 1.00 67.92 71 A 1 ATOM 535 C CG . GLN A 0 71 . -14.398 -1.481 27.504 1.00 67.92 71 A 1 ATOM 536 C CD . GLN A 0 71 . -13.727 -0.618 28.572 1.00 67.92 71 A 1 ATOM 537 N NE2 . GLN A 0 71 . -14.196 0.588 28.811 1.00 67.92 71 A 1 ATOM 538 O OE1 . GLN A 0 71 . -12.789 -1.018 29.233 1.00 67.92 71 A 1 ATOM 539 N N . ARG A 0 72 . -15.809 -3.857 24.739 1.00 65.01 72 A 1 ATOM 540 C CA . ARG A 0 72 . -15.462 -4.208 23.360 1.00 65.01 72 A 1 ATOM 541 C C . ARG A 0 72 . -14.284 -3.331 22.930 1.00 65.01 72 A 1 ATOM 542 C CB . ARG A 0 72 . -16.714 -4.055 22.473 1.00 65.01 72 A 1 ATOM 543 O O . ARG A 0 72 . -14.459 -2.140 22.688 1.00 65.01 72 A 1 ATOM 544 C CG . ARG A 0 72 . -16.666 -4.913 21.199 1.00 65.01 72 A 1 ATOM 545 C CD . ARG A 0 72 . -17.957 -4.721 20.386 1.00 65.01 72 A 1 ATOM 546 N NE . ARG A 0 72 . -18.178 -5.823 19.426 1.00 65.01 72 A 1 ATOM 547 N NH1 . ARG A 0 72 . -18.883 -4.597 17.603 1.00 65.01 72 A 1 ATOM 548 N NH2 . ARG A 0 72 . -18.863 -6.817 17.494 1.00 65.01 72 A 1 ATOM 549 C CZ . ARG A 0 72 . -18.638 -5.737 18.187 1.00 65.01 72 A 1 ATOM 550 N N . VAL A 0 73 . -13.086 -3.906 22.874 1.00 68.58 73 A 1 ATOM 551 C CA . VAL A 0 73 . -11.902 -3.226 22.333 1.00 68.58 73 A 1 ATOM 552 C C . VAL A 0 73 . -12.119 -3.043 20.828 1.00 68.58 73 A 1 ATOM 553 C CB . VAL A 0 73 . -10.597 -3.999 22.629 1.00 68.58 73 A 1 ATOM 554 O O . VAL A 0 73 . -12.444 -4.005 20.131 1.00 68.58 73 A 1 ATOM 555 C CG1 . VAL A 0 73 . -9.385 -3.077 22.447 1.00 68.58 73 A 1 ATOM 556 C CG2 . VAL A 0 73 . -10.551 -4.550 24.062 1.00 68.58 73 A 1 ATOM 557 N N . LYS A 0 74 . -12.007 -1.808 20.325 1.00 67.80 74 A 1 ATOM 558 C CA . LYS A 0 74 . -12.093 -1.538 18.882 1.00 67.80 74 A 1 ATOM 559 C C . LYS A 0 74 . -10.877 -2.169 18.185 1.00 67.80 74 A 1 ATOM 560 C CB . LYS A 0 74 . -12.163 -0.029 18.595 1.00 67.80 74 A 1 ATOM 561 O O . LYS A 0 74 . -9.772 -2.026 18.711 1.00 67.80 74 A 1 ATOM 562 C CG . LYS A 0 74 . -13.483 0.609 19.060 1.00 67.80 74 A 1 ATOM 563 C CD . LYS A 0 74 . -13.541 2.090 18.658 1.00 67.80 74 A 1 ATOM 564 C CE . LYS A 0 74 . -14.879 2.717 19.071 1.00 67.80 74 A 1 ATOM 565 N NZ . LYS A 0 74 . -14.969 4.137 18.644 1.00 67.80 74 A 1 ATOM 566 N N . PRO A 0 75 . -11.042 -2.854 17.039 1.00 63.89 75 A 1 ATOM 567 C CA . PRO A 0 75 . -9.902 -3.357 16.283 1.00 63.89 75 A 1 ATOM 568 C C . PRO A 0 75 . -9.033 -2.173 15.846 1.00 63.89 75 A 1 ATOM 569 C CB . PRO A 0 75 . -10.492 -4.147 15.110 1.00 63.89 75 A 1 ATOM 570 O O . PRO A 0 75 . -9.534 -1.201 15.283 1.00 63.89 75 A 1 ATOM 571 C CG . PRO A 0 75 . -11.875 -3.525 14.910 1.00 63.89 75 A 1 ATOM 572 C CD . PRO A 0 75 . -12.282 -3.082 16.314 1.00 63.89 75 A 1 ATOM 573 N N . GLY A 0 76 . -7.740 -2.237 16.163 1.00 66.86 76 A 1 ATOM 574 C CA . GLY A 0 76 . -6.765 -1.259 15.693 1.00 66.86 76 A 1 ATOM 575 C C . GLY A 0 76 . -6.662 -1.297 14.169 1.00 66.86 76 A 1 ATOM 576 O O . GLY A 0 76 . -6.687 -2.370 13.563 1.00 66.86 76 A 1 ATOM 577 N N . SER A 0 77 . -6.553 -0.124 13.555 1.00 58.27 77 A 1 ATOM 578 C CA . SER A 0 77 . -6.335 0.048 12.122 1.00 58.27 77 A 1 ATOM 579 C C . SER A 0 77 . -5.007 -0.603 11.725 1.00 58.27 77 A 1 ATOM 580 C CB . SER A 0 77 . -6.343 1.544 11.744 1.00 58.27 77 A 1 ATOM 581 O O . SER A 0 77 . -3.947 -0.213 12.212 1.00 58.27 77 A 1 ATOM 582 O OG . SER A 0 77 . -6.605 2.399 12.853 1.00 58.27 77 A 1 ATOM 583 N N . LYS A 0 78 . -5.052 -1.602 10.838 1.00 53.33 78 A 1 ATOM 584 C CA . LYS A 0 78 . -3.846 -2.171 10.224 1.00 53.33 78 A 1 ATOM 585 C C . LYS A 0 78 . -3.431 -1.280 9.056 1.00 53.33 78 A 1 ATOM 586 C CB . LYS A 0 78 . -4.097 -3.614 9.754 1.00 53.33 78 A 1 ATOM 587 O O . LYS A 0 78 . -4.157 -1.196 8.070 1.00 53.33 78 A 1 ATOM 588 C CG . LYS A 0 78 . -4.298 -4.596 10.917 1.00 53.33 78 A 1 ATOM 589 C CD . LYS A 0 78 . -4.505 -6.016 10.374 1.00 53.33 78 A 1 ATOM 590 C CE . LYS A 0 78 . -4.714 -7.005 11.524 1.00 53.33 78 A 1 ATOM 591 N NZ . LYS A 0 78 . -4.964 -8.376 11.012 1.00 53.33 78 A 1 ATOM 592 N N . SER A 0 79 . -2.276 -0.631 9.152 1.00 51.40 79 A 1 ATOM 593 C CA . SER A 0 79 . -1.631 0.023 8.013 1.00 51.40 79 A 1 ATOM 594 C C . SER A 0 79 . -0.662 -0.952 7.342 1.00 51.40 79 A 1 ATOM 595 C CB . SER A 0 79 . -0.949 1.329 8.439 1.00 51.40 79 A 1 ATOM 596 O O . SER A 0 79 . 0.145 -1.602 8.004 1.00 51.40 79 A 1 ATOM 597 O OG . SER A 0 79 . -0.183 1.152 9.615 1.00 51.40 79 A 1 ATOM 598 N N . PHE A 0 80 . -0.753 -1.063 6.018 1.00 46.07 80 A 1 ATOM 599 C CA . PHE A 0 80 . 0.218 -1.782 5.196 1.00 46.07 80 A 1 ATOM 600 C C . PHE A 0 80 . 1.107 -0.756 4.497 1.00 46.07 80 A 1 ATOM 601 C CB . PHE A 0 80 . -0.494 -2.703 4.195 1.00 46.07 80 A 1 ATOM 602 O O . PHE A 0 80 . 0.600 0.153 3.846 1.00 46.07 80 A 1 ATOM 603 C CG . PHE A 0 80 . -1.168 -3.904 4.832 1.00 46.07 80 A 1 ATOM 604 C CD1 . PHE A 0 80 . -0.435 -5.086 5.052 1.00 46.07 80 A 1 ATOM 605 C CD2 . PHE A 0 80 . -2.524 -3.846 5.209 1.00 46.07 80 A 1 ATOM 606 C CE1 . PHE A 0 80 . -1.054 -6.205 5.636 1.00 46.07 80 A 1 ATOM 607 C CE2 . PHE A 0 80 . -3.144 -4.966 5.792 1.00 46.07 80 A 1 ATOM 608 C CZ . PHE A 0 80 . -2.410 -6.147 6.003 1.00 46.07 80 A 1 ATOM 609 N N . SER A 0 81 . 2.421 -0.908 4.639 1.00 46.65 81 A 1 ATOM 610 C CA . SER A 0 81 . 3.421 -0.185 3.854 1.00 46.65 81 A 1 ATOM 611 C C . SER A 0 81 . 4.026 -1.163 2.851 1.00 46.65 81 A 1 ATOM 612 C CB . SER A 0 81 . 4.483 0.424 4.774 1.00 46.65 81 A 1 ATOM 613 O O . SER A 0 81 . 4.434 -2.261 3.231 1.00 46.65 81 A 1 ATOM 614 O OG . SER A 0 81 . 5.571 0.895 4.008 1.00 46.65 81 A 1 ATOM 615 N N . TYR A 0 82 . 4.056 -0.781 1.575 1.00 48.46 82 A 1 ATOM 616 C CA . TYR A 0 82 . 4.775 -1.502 0.528 1.00 48.46 82 A 1 ATOM 617 C C . TYR A 0 82 . 5.981 -0.666 0.110 1.00 48.46 82 A 1 ATOM 618 C CB . TYR A 0 82 . 3.864 -1.799 -0.672 1.00 48.46 82 A 1 ATOM 619 O O . TYR A 0 82 . 5.836 0.513 -0.211 1.00 48.46 82 A 1 ATOM 620 C CG . TYR A 0 82 . 2.717 -2.746 -0.372 1.00 48.46 82 A 1 ATOM 621 C CD1 . TYR A 0 82 . 2.929 -4.139 -0.381 1.00 48.46 82 A 1 ATOM 622 C CD2 . TYR A 0 82 . 1.437 -2.233 -0.083 1.00 48.46 82 A 1 ATOM 623 C CE1 . TYR A 0 82 . 1.863 -5.016 -0.104 1.00 48.46 82 A 1 ATOM 624 C CE2 . TYR A 0 82 . 0.369 -3.107 0.194 1.00 48.46 82 A 1 ATOM 625 O OH . TYR A 0 82 . -0.440 -5.355 0.457 1.00 48.46 82 A 1 ATOM 626 C CZ . TYR A 0 82 . 0.582 -4.503 0.183 1.00 48.46 82 A 1 ATOM 627 N N . PHE A 0 83 . 7.157 -1.287 0.089 1.00 49.21 83 A 1 ATOM 628 C CA . PHE A 0 83 . 8.383 -0.686 -0.425 1.00 49.21 83 A 1 ATOM 629 C C . PHE A 0 83 . 8.594 -1.190 -1.856 1.00 49.21 83 A 1 ATOM 630 C CB . PHE A 0 83 . 9.545 -1.032 0.523 1.00 49.21 83 A 1 ATOM 631 O O . PHE A 0 83 . 8.770 -2.390 -2.064 1.00 49.21 83 A 1 ATOM 632 C CG . PHE A 0 83 . 10.584 0.063 0.652 1.00 49.21 83 A 1 ATOM 633 C CD1 . PHE A 0 83 . 11.778 0.017 -0.091 1.00 49.21 83 A 1 ATOM 634 C CD2 . PHE A 0 83 . 10.351 1.132 1.539 1.00 49.21 83 A 1 ATOM 635 C CE1 . PHE A 0 83 . 12.740 1.033 0.062 1.00 49.21 83 A 1 ATOM 636 C CE2 . PHE A 0 83 . 11.312 2.146 1.693 1.00 49.21 83 A 1 ATOM 637 C CZ . PHE A 0 83 . 12.508 2.094 0.956 1.00 49.21 83 A 1 ATOM 638 N N . ILE A 0 84 . 8.530 -0.305 -2.852 1.00 51.74 84 A 1 ATOM 639 C CA . ILE A 0 84 . 8.812 -0.656 -4.252 1.00 51.74 84 A 1 ATOM 640 C C . ILE A 0 84 . 10.244 -0.227 -4.546 1.00 51.74 84 A 1 ATOM 641 C CB . ILE A 0 84 . 7.802 -0.009 -5.230 1.00 51.74 84 A 1 ATOM 642 O O . ILE A 0 84 . 10.526 0.965 -4.545 1.00 51.74 84 A 1 ATOM 643 C CG1 . ILE A 0 84 . 6.351 -0.414 -4.877 1.00 51.74 84 A 1 ATOM 644 C CG2 . ILE A 0 84 . 8.142 -0.417 -6.679 1.00 51.74 84 A 1 ATOM 645 C CD1 . ILE A 0 84 . 5.282 0.294 -5.719 1.00 51.74 84 A 1 ATOM 646 N N . HIS A 0 85 . 11.134 -1.184 -4.795 1.00 43.30 85 A 1 ATOM 647 C CA . HIS A 0 85 . 12.489 -0.907 -5.269 1.00 43.30 85 A 1 ATOM 648 C C . HIS A 0 85 . 12.446 -0.731 -6.793 1.00 43.30 85 A 1 ATOM 649 C CB . HIS A 0 85 . 13.431 -2.047 -4.829 1.00 43.30 85 A 1 ATOM 650 O O . HIS A 0 85 . 12.111 -1.677 -7.507 1.00 43.30 85 A 1 ATOM 651 C CG . HIS A 0 85 . 14.693 -1.563 -4.165 1.00 43.30 85 A 1 ATOM 652 C CD2 . HIS A 0 85 . 14.893 -1.416 -2.818 1.00 43.30 85 A 1 ATOM 653 N ND1 . HIS A 0 85 . 15.866 -1.205 -4.790 1.00 43.30 85 A 1 ATOM 654 C CE1 . HIS A 0 85 . 16.750 -0.854 -3.840 1.00 43.30 85 A 1 ATOM 655 N NE2 . HIS A 0 85 . 16.201 -0.969 -2.620 1.00 43.30 85 A 1 ATOM 656 N N . LEU A 0 86 . 12.766 0.464 -7.292 1.00 39.26 86 A 1 ATOM 657 C CA . LEU A 0 86 . 13.080 0.667 -8.707 1.00 39.26 86 A 1 ATOM 658 C C . LEU A 0 86 . 14.600 0.561 -8.875 1.00 39.26 86 A 1 ATOM 659 C CB . LEU A 0 86 . 12.543 2.016 -9.227 1.00 39.26 86 A 1 ATOM 660 O O . LEU A 0 86 . 15.332 1.426 -8.402 1.00 39.26 86 A 1 ATOM 661 C CG . LEU A 0 86 . 11.035 2.027 -9.552 1.00 39.26 86 A 1 ATOM 662 C CD1 . LEU A 0 86 . 10.203 2.588 -8.395 1.00 39.26 86 A 1 ATOM 663 C CD2 . LEU A 0 86 . 10.759 2.890 -10.788 1.00 39.26 86 A 1 ATOM 664 N N . THR A 0 87 . 15.060 -0.523 -9.496 1.00 44.62 87 A 1 ATOM 665 C CA . THR A 0 87 . 16.390 -0.607 -10.127 1.00 44.62 87 A 1 ATOM 666 C C . THR A 0 87 . 16.399 0.103 -11.467 1.00 44.62 87 A 1 ATOM 667 C CB . THR A 0 87 . 16.839 -2.050 -10.364 1.00 44.62 87 A 1 ATOM 668 O O . THR A 0 87 . 15.371 -0.007 -12.176 1.00 44.62 87 A 1 ATOM 669 C CG2 . THR A 0 87 . 17.522 -2.655 -9.143 1.00 44.62 87 A 1 ATOM 670 O OG1 . THR A 0 87 . 15.719 -2.832 -10.705 1.00 44.62 87 A 1 ATOM 671 O OXT . THR A 0 87 . 17.463 0.673 -11.770 1.00 44.62 87 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 55.39 # loop_ _atom_type.symbol C N O S #