data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 VAL 0 3 THR 0 4 ILE 0 5 LEU 0 6 PRO 0 7 TYR 0 8 ILE 0 9 ASP 0 10 CYS 0 11 ALA 0 12 GLY 0 13 ILE 0 14 LEU 0 15 TRP 0 16 ASN 0 17 ASP 0 18 ASN 0 19 ALA 0 20 PRO 0 21 THR 0 22 ALA 0 23 THR 0 24 THR 0 25 LYS 0 26 ASP 0 27 ILE 0 28 ARG 0 29 THR 0 30 THR 0 31 THR 0 32 LYS 0 33 ALA 0 34 SER 0 35 ARG 0 36 PRO 0 37 ILE 0 38 THR 0 39 GLU 0 40 LYS 0 41 GLN 0 42 GLY 0 43 PRO 0 44 PHE 0 45 PHE 0 46 ILE 0 47 ASN 0 48 ASN 0 49 TYR 0 50 ASP 0 51 ILE 0 52 GLY 0 53 THR 0 54 ARG 0 55 GLY 0 56 ARG 0 57 MET 0 58 ARG 0 59 TYR 0 60 TYR 0 61 PRO 0 62 VAL 0 63 ASN 0 64 GLU 0 65 PRO 0 66 LYS 0 67 LEU 0 68 ILE 0 69 CYS 0 70 THR 0 71 GLN 0 72 SER 0 73 GLY 0 74 GLY 0 75 ILE 0 76 ILE 0 77 LYS 0 78 CYS 0 79 TYR 0 80 TYR 0 81 VAL 0 82 ASN 0 83 LYS 0 84 GLY 0 85 THR 0 86 ARG 0 87 ILE 0 88 GLN 0 89 ARG 0 90 PHE 0 91 ASN 0 92 GLY 0 93 ASN 0 94 LYS 0 95 LEU 0 96 LEU 0 97 TRP 0 98 LEU 0 99 LEU 0 100 LEU 0 101 ILE 0 102 LEU 0 103 ASN 0 104 PHE 0 105 LEU 0 106 TYR 0 107 LEU 0 108 LEU 0 109 ILE 0 110 SER 0 111 ARG 0 112 TYR # 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 . 1.995 23.160 5.773 1.00 26.99 1 A 1 ATOM 2 C CA . MET A 0 1 . 2.879 22.485 4.798 1.00 26.99 1 A 1 ATOM 3 C C . MET A 0 1 . 2.070 21.410 4.097 1.00 26.99 1 A 1 ATOM 4 C CB . MET A 0 1 . 4.098 21.855 5.494 1.00 26.99 1 A 1 ATOM 5 O O . MET A 0 1 . 1.600 20.506 4.771 1.00 26.99 1 A 1 ATOM 6 C CG . MET A 0 1 . 5.325 22.768 5.461 1.00 26.99 1 A 1 ATOM 7 S SD . MET A 0 1 . 6.680 22.121 6.470 1.00 26.99 1 A 1 ATOM 8 C CE . MET A 0 1 . 8.093 23.004 5.754 1.00 26.99 1 A 1 ATOM 9 N N . VAL A 0 2 . 1.845 21.538 2.789 1.00 23.14 2 A 1 ATOM 10 C CA . VAL A 0 2 . 1.231 20.471 1.988 1.00 23.14 2 A 1 ATOM 11 C C . VAL A 0 2 . 2.348 19.507 1.610 1.00 23.14 2 A 1 ATOM 12 C CB . VAL A 0 2 . 0.507 21.033 0.744 1.00 23.14 2 A 1 ATOM 13 O O . VAL A 0 2 . 3.208 19.839 0.799 1.00 23.14 2 A 1 ATOM 14 C CG1 . VAL A 0 2 . -0.081 19.919 -0.132 1.00 23.14 2 A 1 ATOM 15 C CG2 . VAL A 0 2 . -0.643 21.958 1.166 1.00 23.14 2 A 1 ATOM 16 N N . THR A 0 3 . 2.380 18.340 2.243 1.00 24.73 3 A 1 ATOM 17 C CA . THR A 0 3 . 3.249 17.235 1.838 1.00 24.73 3 A 1 ATOM 18 C C . THR A 0 3 . 2.683 16.648 0.551 1.00 24.73 3 A 1 ATOM 19 C CB . THR A 0 3 . 3.383 16.161 2.940 1.00 24.73 3 A 1 ATOM 20 O O . THR A 0 3 . 1.706 15.902 0.561 1.00 24.73 3 A 1 ATOM 21 C CG2 . THR A 0 3 . 4.794 16.153 3.524 1.00 24.73 3 A 1 ATOM 22 O OG1 . THR A 0 3 . 2.503 16.400 4.023 1.00 24.73 3 A 1 ATOM 23 N N . ILE A 0 4 . 3.271 17.032 -0.580 1.00 29.42 4 A 1 ATOM 24 C CA . ILE A 0 4 . 2.985 16.415 -1.873 1.00 29.42 4 A 1 ATOM 25 C C . ILE A 0 4 . 3.656 15.040 -1.839 1.00 29.42 4 A 1 ATOM 26 C CB . ILE A 0 4 . 3.482 17.311 -3.035 1.00 29.42 4 A 1 ATOM 27 O O . ILE A 0 4 . 4.869 14.941 -1.994 1.00 29.42 4 A 1 ATOM 28 C CG1 . ILE A 0 4 . 2.842 18.721 -2.963 1.00 29.42 4 A 1 ATOM 29 C CG2 . ILE A 0 4 . 3.164 16.642 -4.386 1.00 29.42 4 A 1 ATOM 30 C CD1 . ILE A 0 4 . 3.447 19.732 -3.944 1.00 29.42 4 A 1 ATOM 31 N N . LEU A 0 5 . 2.887 13.982 -1.560 1.00 33.95 5 A 1 ATOM 32 C CA . LEU A 0 5 . 3.383 12.616 -1.728 1.00 33.95 5 A 1 ATOM 33 C C . LEU A 0 5 . 3.502 12.328 -3.236 1.00 33.95 5 A 1 ATOM 34 C CB . LEU A 0 5 . 2.478 11.577 -1.038 1.00 33.95 5 A 1 ATOM 35 O O . LEU A 0 5 . 2.481 12.392 -3.927 1.00 33.95 5 A 1 ATOM 36 C CG . LEU A 0 5 . 2.758 11.404 0.470 1.00 33.95 5 A 1 ATOM 37 C CD1 . LEU A 0 5 . 1.723 12.135 1.326 1.00 33.95 5 A 1 ATOM 38 C CD2 . LEU A 0 5 . 2.727 9.921 0.850 1.00 33.95 5 A 1 ATOM 39 N N . PRO A 0 6 . 4.701 12.020 -3.763 1.00 38.18 6 A 1 ATOM 40 C CA . PRO A 0 6 . 4.855 11.627 -5.159 1.00 38.18 6 A 1 ATOM 41 C C . PRO A 0 6 . 4.157 10.278 -5.382 1.00 38.18 6 A 1 ATOM 42 C CB . PRO A 0 6 . 6.366 11.593 -5.412 1.00 38.18 6 A 1 ATOM 43 O O . PRO A 0 6 . 4.452 9.294 -4.702 1.00 38.18 6 A 1 ATOM 44 C CG . PRO A 0 6 . 6.967 11.319 -4.033 1.00 38.18 6 A 1 ATOM 45 C CD . PRO A 0 6 . 5.981 11.971 -3.069 1.00 38.18 6 A 1 ATOM 46 N N . TYR A 0 7 . 3.194 10.241 -6.306 1.00 36.71 7 A 1 ATOM 47 C CA . TYR A 0 7 . 2.423 9.038 -6.623 1.00 36.71 7 A 1 ATOM 48 C C . TYR A 0 7 . 3.151 8.180 -7.666 1.00 36.71 7 A 1 ATOM 49 C CB . TYR A 0 7 . 1.000 9.408 -7.068 1.00 36.71 7 A 1 ATOM 50 O O . TYR A 0 7 . 3.321 8.593 -8.809 1.00 36.71 7 A 1 ATOM 51 C CG . TYR A 0 7 . 0.077 9.790 -5.923 1.00 36.71 7 A 1 ATOM 52 C CD1 . TYR A 0 7 . -0.625 8.785 -5.228 1.00 36.71 7 A 1 ATOM 53 C CD2 . TYR A 0 7 . -0.062 11.136 -5.533 1.00 36.71 7 A 1 ATOM 54 C CE1 . TYR A 0 7 . -1.472 9.125 -4.156 1.00 36.71 7 A 1 ATOM 55 C CE2 . TYR A 0 7 . -0.907 11.482 -4.462 1.00 36.71 7 A 1 ATOM 56 O OH . TYR A 0 7 . -2.454 10.801 -2.752 1.00 36.71 7 A 1 ATOM 57 C CZ . TYR A 0 7 . -1.620 10.475 -3.777 1.00 36.71 7 A 1 ATOM 58 N N . ILE A 0 8 . 3.563 6.985 -7.225 1.00 45.03 8 A 1 ATOM 59 C CA . ILE A 0 8 . 4.101 5.838 -7.984 1.00 45.03 8 A 1 ATOM 60 C C . ILE A 0 8 . 3.104 5.189 -8.967 1.00 45.03 8 A 1 ATOM 61 C CB . ILE A 0 8 . 5.646 5.784 -8.200 1.00 45.03 8 A 1 ATOM 62 O O . ILE A 0 8 . 2.226 4.489 -8.462 1.00 45.03 8 A 1 ATOM 63 C CG1 . ILE A 0 8 . 6.330 7.161 -8.006 1.00 45.03 8 A 1 ATOM 64 C CG2 . ILE A 0 8 . 6.069 4.967 -9.432 1.00 45.03 8 A 1 ATOM 65 C CD1 . ILE A 0 8 . 7.599 7.515 -8.774 1.00 45.03 8 A 1 ATOM 66 N N . ASP A 0 9 . 3.173 5.326 -10.296 1.00 44.76 9 A 1 ATOM 67 C CA . ASP A 0 9 . 2.354 4.480 -11.188 1.00 44.76 9 A 1 ATOM 68 C C . ASP A 0 9 . 2.937 3.054 -11.301 1.00 44.76 9 A 1 ATOM 69 C CB . ASP A 0 9 . 2.148 5.142 -12.556 1.00 44.76 9 A 1 ATOM 70 O O . ASP A 0 9 . 3.925 2.807 -11.994 1.00 44.76 9 A 1 ATOM 71 C CG . ASP A 0 9 . 1.000 4.506 -13.351 1.00 44.76 9 A 1 ATOM 72 O OD1 . ASP A 0 9 . 0.480 3.438 -12.929 1.00 44.76 9 A 1 ATOM 73 O OD2 . ASP A 0 9 . 0.652 5.112 -14.385 1.00 44.76 9 A 1 ATOM 74 N N . CYS A 0 10 . 2.352 2.093 -10.577 1.00 45.95 10 A 1 ATOM 75 C CA . CYS A 0 10 . 2.831 0.704 -10.539 1.00 45.95 10 A 1 ATOM 76 C C . CYS A 0 10 . 2.086 -0.243 -11.486 1.00 45.95 10 A 1 ATOM 77 C CB . CYS A 0 10 . 2.840 0.164 -9.109 1.00 45.95 10 A 1 ATOM 78 O O . CYS A 0 10 . 2.210 -1.463 -11.338 1.00 45.95 10 A 1 ATOM 79 S SG . CYS A 0 10 . 3.894 1.197 -8.053 1.00 45.95 10 A 1 ATOM 80 N N . ALA A 0 11 . 1.328 0.267 -12.463 1.00 38.98 11 A 1 ATOM 81 C CA . ALA A 0 11 . 0.649 -0.588 -13.435 1.00 38.98 11 A 1 ATOM 82 C C . ALA A 0 11 . 1.636 -1.493 -14.210 1.00 38.98 11 A 1 ATOM 83 C CB . ALA A 0 11 . -0.188 0.296 -14.361 1.00 38.98 11 A 1 ATOM 84 O O . ALA A 0 11 . 1.353 -2.665 -14.440 1.00 38.98 11 A 1 ATOM 85 N N . GLY A 0 12 . 2.847 -1.023 -14.520 1.00 38.51 12 A 1 ATOM 86 C CA . GLY A 0 12 . 3.876 -1.874 -15.138 1.00 38.51 12 A 1 ATOM 87 C C . GLY A 0 12 . 4.385 -3.000 -14.222 1.00 38.51 12 A 1 ATOM 88 O O . GLY A 0 12 . 4.606 -4.116 -14.675 1.00 38.51 12 A 1 ATOM 89 N N . ILE A 0 13 . 4.509 -2.728 -12.919 1.00 44.05 13 A 1 ATOM 90 C CA . ILE A 0 13 . 5.105 -3.628 -11.911 1.00 44.05 13 A 1 ATOM 91 C C . ILE A 0 13 . 4.107 -4.701 -11.435 1.00 44.05 13 A 1 ATOM 92 C CB . ILE A 0 13 . 5.617 -2.763 -10.729 1.00 44.05 13 A 1 ATOM 93 O O . ILE A 0 13 . 4.468 -5.815 -11.038 1.00 44.05 13 A 1 ATOM 94 C CG1 . ILE A 0 13 . 6.700 -1.757 -11.194 1.00 44.05 13 A 1 ATOM 95 C CG2 . ILE A 0 13 . 6.161 -3.625 -9.579 1.00 44.05 13 A 1 ATOM 96 C CD1 . ILE A 0 13 . 7.132 -0.743 -10.125 1.00 44.05 13 A 1 ATOM 97 N N . LEU A 0 14 . 2.816 -4.372 -11.429 1.00 42.93 14 A 1 ATOM 98 C CA . LEU A 0 14 . 1.779 -5.282 -10.950 1.00 42.93 14 A 1 ATOM 99 C C . LEU A 0 14 . 1.330 -6.291 -12.011 1.00 42.93 14 A 1 ATOM 100 C CB . LEU A 0 14 . 0.618 -4.453 -10.386 1.00 42.93 14 A 1 ATOM 101 O O . LEU A 0 14 . 1.002 -7.415 -11.628 1.00 42.93 14 A 1 ATOM 102 C CG . LEU A 0 14 . 0.914 -3.968 -8.955 1.00 42.93 14 A 1 ATOM 103 C CD1 . LEU A 0 14 . 0.036 -2.769 -8.628 1.00 42.93 14 A 1 ATOM 104 C CD2 . LEU A 0 14 . 0.617 -5.072 -7.937 1.00 42.93 14 A 1 ATOM 105 N N . TRP A 0 15 . 1.351 -5.913 -13.293 1.00 42.32 15 A 1 ATOM 106 C CA . TRP A 0 15 . 0.623 -6.614 -14.359 1.00 42.32 15 A 1 ATOM 107 C C . TRP A 0 15 . 1.482 -7.389 -15.360 1.00 42.32 15 A 1 ATOM 108 C CB . TRP A 0 15 . -0.288 -5.602 -15.066 1.00 42.32 15 A 1 ATOM 109 O O . TRP A 0 15 . 0.924 -8.174 -16.119 1.00 42.32 15 A 1 ATOM 110 C CG . TRP A 0 15 . -1.364 -5.071 -14.172 1.00 42.32 15 A 1 ATOM 111 C CD1 . TRP A 0 15 . -1.345 -3.924 -13.457 1.00 42.32 15 A 1 ATOM 112 C CD2 . TRP A 0 15 . -2.585 -5.746 -13.784 1.00 42.32 15 A 1 ATOM 113 C CE2 . TRP A 0 15 . -3.206 -4.984 -12.756 1.00 42.32 15 A 1 ATOM 114 C CE3 . TRP A 0 15 . -3.183 -6.968 -14.149 1.00 42.32 15 A 1 ATOM 115 N NE1 . TRP A 0 15 . -2.449 -3.845 -12.643 1.00 42.32 15 A 1 ATOM 116 C CH2 . TRP A 0 15 . -4.825 -6.727 -12.378 1.00 42.32 15 A 1 ATOM 117 C CZ2 . TRP A 0 15 . -4.301 -5.464 -12.045 1.00 42.32 15 A 1 ATOM 118 C CZ3 . TRP A 0 15 . -4.307 -7.449 -13.460 1.00 42.32 15 A 1 ATOM 119 N N . ASN A 0 16 . 2.804 -7.216 -15.361 1.00 38.35 16 A 1 ATOM 120 C CA . ASN A 0 16 . 3.695 -7.949 -16.258 1.00 38.35 16 A 1 ATOM 121 C C . ASN A 0 16 . 4.819 -8.607 -15.456 1.00 38.35 16 A 1 ATOM 122 C CB . ASN A 0 16 . 4.237 -6.977 -17.327 1.00 38.35 16 A 1 ATOM 123 O O . ASN A 0 16 . 5.663 -7.911 -14.895 1.00 38.35 16 A 1 ATOM 124 C CG . ASN A 0 16 . 3.717 -7.200 -18.733 1.00 38.35 16 A 1 ATOM 125 N ND2 . ASN A 0 16 . 4.035 -6.310 -19.643 1.00 38.35 16 A 1 ATOM 126 O OD1 . ASN A 0 16 . 3.073 -8.177 -19.060 1.00 38.35 16 A 1 ATOM 127 N N . ASP A 0 17 . 4.875 -9.941 -15.462 1.00 43.32 17 A 1 ATOM 128 C CA . ASP A 0 17 . 5.952 -10.705 -14.811 1.00 43.32 17 A 1 ATOM 129 C C . ASP A 0 17 . 7.338 -10.438 -15.444 1.00 43.32 17 A 1 ATOM 130 C CB . ASP A 0 17 . 5.590 -12.204 -14.802 1.00 43.32 17 A 1 ATOM 131 O O . ASP A 0 17 . 8.357 -10.734 -14.832 1.00 43.32 17 A 1 ATOM 132 C CG . ASP A 0 17 . 4.407 -12.540 -13.876 1.00 43.32 17 A 1 ATOM 133 O OD1 . ASP A 0 17 . 4.254 -11.866 -12.826 1.00 43.32 17 A 1 ATOM 134 O OD2 . ASP A 0 17 . 3.638 -13.460 -14.233 1.00 43.32 17 A 1 ATOM 135 N N . ASN A 0 18 . 7.376 -9.796 -16.624 1.00 37.14 18 A 1 ATOM 136 C CA . ASN A 0 18 . 8.584 -9.453 -17.384 1.00 37.14 18 A 1 ATOM 137 C C . ASN A 0 18 . 8.689 -7.959 -17.775 1.00 37.14 18 A 1 ATOM 138 C CB . ASN A 0 18 . 8.644 -10.364 -18.629 1.00 37.14 18 A 1 ATOM 139 O O . ASN A 0 18 . 9.396 -7.627 -18.728 1.00 37.14 18 A 1 ATOM 140 C CG . ASN A 0 18 . 8.958 -11.815 -18.321 1.00 37.14 18 A 1 ATOM 141 N ND2 . ASN A 0 18 . 8.661 -12.709 -19.233 1.00 37.14 18 A 1 ATOM 142 O OD1 . ASN A 0 18 . 9.510 -12.177 -17.303 1.00 37.14 18 A 1 ATOM 143 N N . ALA A 0 19 . 7.969 -7.035 -17.124 1.00 38.02 19 A 1 ATOM 144 C CA . ALA A 0 19 . 8.045 -5.625 -17.531 1.00 38.02 19 A 1 ATOM 145 C C . ALA A 0 19 . 9.424 -5.015 -17.210 1.00 38.02 19 A 1 ATOM 146 C CB . ALA A 0 19 . 6.928 -4.790 -16.900 1.00 38.02 19 A 1 ATOM 147 O O . ALA A 0 19 . 9.855 -5.074 -16.056 1.00 38.02 19 A 1 ATOM 148 N N . PRO A 0 20 . 10.101 -4.371 -18.184 1.00 35.91 20 A 1 ATOM 149 C CA . PRO A 0 20 . 11.298 -3.592 -17.904 1.00 35.91 20 A 1 ATOM 150 C C . PRO A 0 20 . 10.944 -2.439 -16.961 1.00 35.91 20 A 1 ATOM 151 C CB . PRO A 0 20 . 11.825 -3.118 -19.262 1.00 35.91 20 A 1 ATOM 152 O O . PRO A 0 20 . 9.958 -1.730 -17.162 1.00 35.91 20 A 1 ATOM 153 C CG . PRO A 0 20 . 10.577 -3.101 -20.143 1.00 35.91 20 A 1 ATOM 154 C CD . PRO A 0 20 . 9.724 -4.235 -19.582 1.00 35.91 20 A 1 ATOM 155 N N . THR A 0 21 . 11.777 -2.251 -15.941 1.00 40.31 21 A 1 ATOM 156 C CA . THR A 0 21 . 11.602 -1.372 -14.769 1.00 40.31 21 A 1 ATOM 157 C C . THR A 0 21 . 11.513 0.132 -15.082 1.00 40.31 21 A 1 ATOM 158 C CB . THR A 0 21 . 12.750 -1.629 -13.763 1.00 40.31 21 A 1 ATOM 159 O O . THR A 0 21 . 11.619 0.961 -14.185 1.00 40.31 21 A 1 ATOM 160 C CG2 . THR A 0 21 . 12.299 -1.559 -12.305 1.00 40.31 21 A 1 ATOM 161 O OG1 . THR A 0 21 . 13.311 -2.918 -13.933 1.00 40.31 21 A 1 ATOM 162 N N . ALA A 0 22 . 11.335 0.525 -16.341 1.00 36.79 22 A 1 ATOM 163 C CA . ALA A 0 22 . 11.359 1.911 -16.775 1.00 36.79 22 A 1 ATOM 164 C C . ALA A 0 22 . 10.319 2.160 -17.875 1.00 36.79 22 A 1 ATOM 165 C CB . ALA A 0 22 . 12.790 2.237 -17.230 1.00 36.79 22 A 1 ATOM 166 O O . ALA A 0 22 . 10.609 2.026 -19.061 1.00 36.79 22 A 1 ATOM 167 N N . THR A 0 23 . 9.111 2.580 -17.499 1.00 33.48 23 A 1 ATOM 168 C CA . THR A 0 23 . 8.187 3.239 -18.436 1.00 33.48 23 A 1 ATOM 169 C C . THR A 0 23 . 7.777 4.603 -17.894 1.00 33.48 23 A 1 ATOM 170 C CB . THR A 0 23 . 6.977 2.376 -18.824 1.00 33.48 23 A 1 ATOM 171 O O . THR A 0 23 . 7.234 4.714 -16.802 1.00 33.48 23 A 1 ATOM 172 C CG2 . THR A 0 23 . 7.371 1.302 -19.839 1.00 33.48 23 A 1 ATOM 173 O OG1 . THR A 0 23 . 6.407 1.737 -17.707 1.00 33.48 23 A 1 ATOM 174 N N . THR A 0 24 . 8.086 5.636 -18.682 1.00 34.39 24 A 1 ATOM 175 C CA . THR A 0 24 . 8.089 7.081 -18.388 1.00 34.39 24 A 1 ATOM 176 C C . THR A 0 24 . 6.870 7.821 -18.962 1.00 34.39 24 A 1 ATOM 177 C CB . THR A 0 24 . 9.399 7.699 -18.940 1.00 34.39 24 A 1 ATOM 178 O O . THR A 0 24 . 7.009 8.877 -19.578 1.00 34.39 24 A 1 ATOM 179 C CG2 . THR A 0 24 . 10.576 7.518 -17.989 1.00 34.39 24 A 1 ATOM 180 O OG1 . THR A 0 24 . 9.761 7.072 -20.159 1.00 34.39 24 A 1 ATOM 181 N N . LYS A 0 25 . 5.654 7.290 -18.809 1.00 30.28 25 A 1 ATOM 182 C CA . LYS A 0 25 . 4.427 8.001 -19.213 1.00 30.28 25 A 1 ATOM 183 C C . LYS A 0 25 . 3.343 7.837 -18.159 1.00 30.28 25 A 1 ATOM 184 C CB . LYS A 0 25 . 3.941 7.530 -20.597 1.00 30.28 25 A 1 ATOM 185 O O . LYS A 0 25 . 3.243 6.763 -17.584 1.00 30.28 25 A 1 ATOM 186 C CG . LYS A 0 25 . 4.763 8.156 -21.736 1.00 30.28 25 A 1 ATOM 187 C CD . LYS A 0 25 . 4.175 7.828 -23.114 1.00 30.28 25 A 1 ATOM 188 C CE . LYS A 0 25 . 4.965 8.572 -24.198 1.00 30.28 25 A 1 ATOM 189 N NZ . LYS A 0 25 . 4.438 8.286 -25.556 1.00 30.28 25 A 1 ATOM 190 N N . ASP A 0 26 . 2.536 8.878 -17.957 1.00 32.43 26 A 1 ATOM 191 C CA . ASP A 0 26 . 1.292 8.816 -17.186 1.00 32.43 26 A 1 ATOM 192 C C . ASP A 0 26 . 0.396 7.714 -17.776 1.00 32.43 26 A 1 ATOM 193 C CB . ASP A 0 26 . 0.564 10.175 -17.264 1.00 32.43 26 A 1 ATOM 194 O O . ASP A 0 26 . -0.200 7.895 -18.844 1.00 32.43 26 A 1 ATOM 195 C CG . ASP A 0 26 . 1.237 11.298 -16.474 1.00 32.43 26 A 1 ATOM 196 O OD1 . ASP A 0 26 . 1.677 11.024 -15.339 1.00 32.43 26 A 1 ATOM 197 O OD2 . ASP A 0 26 . 1.281 12.426 -17.015 1.00 32.43 26 A 1 ATOM 198 N N . ILE A 0 27 . 0.314 6.549 -17.128 1.00 32.27 27 A 1 ATOM 199 C CA . ILE A 0 27 . -0.574 5.477 -17.570 1.00 32.27 27 A 1 ATOM 200 C C . ILE A 0 27 . -1.893 5.662 -16.824 1.00 32.27 27 A 1 ATOM 201 C CB . ILE A 0 27 . 0.054 4.065 -17.439 1.00 32.27 27 A 1 ATOM 202 O O . ILE A 0 27 . -2.067 5.319 -15.657 1.00 32.27 27 A 1 ATOM 203 C CG1 . ILE A 0 27 . 1.350 3.952 -18.278 1.00 32.27 27 A 1 ATOM 204 C CG2 . ILE A 0 27 . -0.955 2.998 -17.907 1.00 32.27 27 A 1 ATOM 205 C CD1 . ILE A 0 27 . 2.179 2.690 -18.009 1.00 32.27 27 A 1 ATOM 206 N N . ARG A 0 28 . -2.902 6.177 -17.532 1.00 31.42 28 A 1 ATOM 207 C CA . ARG A 0 28 . -4.291 6.000 -17.097 1.00 31.42 28 A 1 ATOM 208 C C . ARG A 0 28 . -4.566 4.498 -17.029 1.00 31.42 28 A 1 ATOM 209 C CB . ARG A 0 28 . -5.269 6.719 -18.041 1.00 31.42 28 A 1 ATOM 210 O O . ARG A 0 28 . -4.675 3.836 -18.061 1.00 31.42 28 A 1 ATOM 211 C CG . ARG A 0 28 . -5.667 8.102 -17.512 1.00 31.42 28 A 1 ATOM 212 C CD . ARG A 0 28 . -6.652 8.762 -18.483 1.00 31.42 28 A 1 ATOM 213 N NE . ARG A 0 28 . -7.230 9.999 -17.924 1.00 31.42 28 A 1 ATOM 214 N NH1 . ARG A 0 28 . -8.336 10.688 -19.816 1.00 31.42 28 A 1 ATOM 215 N NH2 . ARG A 0 28 . -8.506 11.888 -17.945 1.00 31.42 28 A 1 ATOM 216 C CZ . ARG A 0 28 . -8.018 10.849 -18.561 1.00 31.42 28 A 1 ATOM 217 N N . THR A 0 29 . -4.684 3.965 -15.815 1.00 31.78 29 A 1 ATOM 218 C CA . THR A 0 29 . -5.105 2.584 -15.563 1.00 31.78 29 A 1 ATOM 219 C C . THR A 0 29 . -6.533 2.406 -16.081 1.00 31.78 29 A 1 ATOM 220 C CB . THR A 0 29 . -4.970 2.202 -14.071 1.00 31.78 29 A 1 ATOM 221 O O . THR A 0 29 . -7.505 2.802 -15.447 1.00 31.78 29 A 1 ATOM 222 C CG2 . THR A 0 29 . -3.602 1.583 -13.799 1.00 31.78 29 A 1 ATOM 223 O OG1 . THR A 0 29 . -5.039 3.311 -13.199 1.00 31.78 29 A 1 ATOM 224 N N . THR A 0 30 . -6.658 1.868 -17.296 1.00 29.90 30 A 1 ATOM 225 C CA . THR A 0 30 . -7.940 1.667 -17.998 1.00 29.90 30 A 1 ATOM 226 C C . THR A 0 30 . -8.521 0.270 -17.800 1.00 29.90 30 A 1 ATOM 227 C CB . THR A 0 30 . -7.822 1.996 -19.496 1.00 29.90 30 A 1 ATOM 228 O O . THR A 0 30 . -9.658 0.015 -18.185 1.00 29.90 30 A 1 ATOM 229 C CG2 . THR A 0 30 . -7.863 3.503 -19.743 1.00 29.90 30 A 1 ATOM 230 O OG1 . THR A 0 30 . -6.602 1.526 -20.018 1.00 29.90 30 A 1 ATOM 231 N N . THR A 0 31 . -7.805 -0.633 -17.133 1.00 33.30 31 A 1 ATOM 232 C CA . THR A 0 31 . -8.261 -2.004 -16.895 1.00 33.30 31 A 1 ATOM 233 C C . THR A 0 31 . -8.455 -2.267 -15.410 1.00 33.30 31 A 1 ATOM 234 C CB . THR A 0 31 . -7.318 -3.019 -17.554 1.00 33.30 31 A 1 ATOM 235 O O . THR A 0 31 . -7.509 -2.243 -14.621 1.00 33.30 31 A 1 ATOM 236 C CG2 . THR A 0 31 . -7.616 -3.116 -19.050 1.00 33.30 31 A 1 ATOM 237 O OG1 . THR A 0 31 . -5.972 -2.622 -17.405 1.00 33.30 31 A 1 ATOM 238 N N . LYS A 0 32 . -9.711 -2.545 -15.028 1.00 36.64 32 A 1 ATOM 239 C CA . LYS A 0 32 . -10.054 -3.092 -13.711 1.00 36.64 32 A 1 ATOM 240 C C . LYS A 0 32 . -9.207 -4.336 -13.471 1.00 36.64 32 A 1 ATOM 241 C CB . LYS A 0 32 . -11.549 -3.467 -13.632 1.00 36.64 32 A 1 ATOM 242 O O . LYS A 0 32 . -9.273 -5.293 -14.239 1.00 36.64 32 A 1 ATOM 243 C CG . LYS A 0 32 . -12.390 -2.455 -12.842 1.00 36.64 32 A 1 ATOM 244 C CD . LYS A 0 32 . -13.856 -2.914 -12.797 1.00 36.64 32 A 1 ATOM 245 C CE . LYS A 0 32 . -14.716 -1.961 -11.957 1.00 36.64 32 A 1 ATOM 246 N NZ . LYS A 0 32 . -16.148 -2.359 -11.975 1.00 36.64 32 A 1 ATOM 247 N N . ALA A 0 33 . -8.457 -4.320 -12.378 1.00 39.28 33 A 1 ATOM 248 C CA . ALA A 0 33 . -7.790 -5.509 -11.891 1.00 39.28 33 A 1 ATOM 249 C C . ALA A 0 33 . -8.801 -6.649 -11.722 1.00 39.28 33 A 1 ATOM 250 C CB . ALA A 0 33 . -7.141 -5.179 -10.542 1.00 39.28 33 A 1 ATOM 251 O O . ALA A 0 33 . -9.798 -6.476 -11.021 1.00 39.28 33 A 1 ATOM 252 N N . SER A 0 34 . -8.547 -7.808 -12.333 1.00 41.06 34 A 1 ATOM 253 C CA . SER A 0 34 . -9.411 -8.988 -12.176 1.00 41.06 34 A 1 ATOM 254 C C . SER A 0 34 . -9.401 -9.540 -10.748 1.00 41.06 34 A 1 ATOM 255 C CB . SER A 0 34 . -8.985 -10.078 -13.163 1.00 41.06 34 A 1 ATOM 256 O O . SER A 0 34 . -10.295 -10.291 -10.366 1.00 41.06 34 A 1 ATOM 257 O OG . SER A 0 34 . -7.625 -10.426 -12.960 1.00 41.06 34 A 1 ATOM 258 N N . ARG A 0 35 . -8.392 -9.171 -9.949 1.00 40.21 35 A 1 ATOM 259 C CA . ARG A 0 35 . -8.218 -9.593 -8.559 1.00 40.21 35 A 1 ATOM 260 C C . ARG A 0 35 . -7.833 -8.386 -7.699 1.00 40.21 35 A 1 ATOM 261 C CB . ARG A 0 35 . -7.158 -10.706 -8.478 1.00 40.21 35 A 1 ATOM 262 O O . ARG A 0 35 . -7.051 -7.557 -8.167 1.00 40.21 35 A 1 ATOM 263 C CG . ARG A 0 35 . -7.528 -11.915 -9.354 1.00 40.21 35 A 1 ATOM 264 C CD . ARG A 0 35 . -6.515 -13.051 -9.214 1.00 40.21 35 A 1 ATOM 265 N NE . ARG A 0 35 . -6.835 -14.151 -10.143 1.00 40.21 35 A 1 ATOM 266 N NH1 . ARG A 0 35 . -5.194 -15.609 -9.470 1.00 40.21 35 A 1 ATOM 267 N NH2 . ARG A 0 35 . -6.563 -16.186 -11.132 1.00 40.21 35 A 1 ATOM 268 C CZ . ARG A 0 35 . -6.199 -15.305 -10.244 1.00 40.21 35 A 1 ATOM 269 N N . PRO A 0 36 . -8.349 -8.272 -6.462 1.00 45.37 36 A 1 ATOM 270 C CA . PRO A 0 36 . -7.959 -7.203 -5.552 1.00 45.37 36 A 1 ATOM 271 C C . PRO A 0 36 . -6.455 -7.291 -5.290 1.00 45.37 36 A 1 ATOM 272 C CB . PRO A 0 36 . -8.801 -7.404 -4.286 1.00 45.37 36 A 1 ATOM 273 O O . PRO A 0 36 . -5.950 -8.322 -4.848 1.00 45.37 36 A 1 ATOM 274 C CG . PRO A 0 36 . -9.158 -8.890 -4.311 1.00 45.37 36 A 1 ATOM 275 C CD . PRO A 0 36 . -9.242 -9.211 -5.801 1.00 45.37 36 A 1 ATOM 276 N N . ILE A 0 37 . -5.729 -6.215 -5.592 1.00 51.80 37 A 1 ATOM 277 C CA . ILE A 0 37 . -4.286 -6.158 -5.361 1.00 51.80 37 A 1 ATOM 278 C C . ILE A 0 37 . -4.049 -6.082 -3.851 1.00 51.80 37 A 1 ATOM 279 C CB . ILE A 0 37 . -3.652 -4.982 -6.132 1.00 51.80 37 A 1 ATOM 280 O O . ILE A 0 37 . -4.182 -5.030 -3.228 1.00 51.80 37 A 1 ATOM 281 C CG1 . ILE A 0 37 . -3.801 -5.173 -7.660 1.00 51.80 37 A 1 ATOM 282 C CG2 . ILE A 0 37 . -2.156 -4.849 -5.779 1.00 51.80 37 A 1 ATOM 283 C CD1 . ILE A 0 37 . -3.751 -3.840 -8.412 1.00 51.80 37 A 1 ATOM 284 N N . THR A 0 38 . -3.702 -7.214 -3.249 1.00 47.97 38 A 1 ATOM 285 C CA . THR A 0 38 . -3.189 -7.287 -1.883 1.00 47.97 38 A 1 ATOM 286 C C . THR A 0 38 . -1.670 -7.162 -1.928 1.00 47.97 38 A 1 ATOM 287 C CB . THR A 0 38 . -3.626 -8.588 -1.188 1.00 47.97 38 A 1 ATOM 288 O O . THR A 0 38 . -0.995 -8.158 -2.134 1.00 47.97 38 A 1 ATOM 289 C CG2 . THR A 0 38 . -5.091 -8.532 -0.756 1.00 47.97 38 A 1 ATOM 290 O OG1 . THR A 0 38 . -3.468 -9.696 -2.041 1.00 47.97 38 A 1 ATOM 291 N N . GLU A 0 39 . -1.159 -5.937 -1.768 1.00 49.04 39 A 1 ATOM 292 C CA . GLU A 0 39 . 0.225 -5.593 -1.379 1.00 49.04 39 A 1 ATOM 293 C C . GLU A 0 39 . 1.350 -6.482 -1.971 1.00 49.04 39 A 1 ATOM 294 C CB . GLU A 0 39 . 0.259 -5.562 0.162 1.00 49.04 39 A 1 ATOM 295 O O . GLU A 0 39 . 1.690 -7.521 -1.408 1.00 49.04 39 A 1 ATOM 296 C CG . GLU A 0 39 . 1.463 -4.825 0.767 1.00 49.04 39 A 1 ATOM 297 C CD . GLU A 0 39 . 1.514 -4.968 2.299 1.00 49.04 39 A 1 ATOM 298 O OE1 . GLU A 0 39 . 2.637 -4.905 2.851 1.00 49.04 39 A 1 ATOM 299 O OE2 . GLU A 0 39 . 0.448 -5.209 2.923 1.00 49.04 39 A 1 ATOM 300 N N . LYS A 0 40 . 1.999 -6.050 -3.065 1.00 47.94 40 A 1 ATOM 301 C CA . LYS A 0 40 . 3.254 -6.675 -3.533 1.00 47.94 40 A 1 ATOM 302 C C . LYS A 0 40 . 4.446 -6.102 -2.756 1.00 47.94 40 A 1 ATOM 303 C CB . LYS A 0 40 . 3.468 -6.509 -5.055 1.00 47.94 40 A 1 ATOM 304 O O . LYS A 0 40 . 4.622 -4.892 -2.717 1.00 47.94 40 A 1 ATOM 305 C CG . LYS A 0 40 . 2.677 -7.499 -5.938 1.00 47.94 40 A 1 ATOM 306 C CD . LYS A 0 40 . 3.297 -7.595 -7.354 1.00 47.94 40 A 1 ATOM 307 C CE . LYS A 0 40 . 2.480 -8.457 -8.340 1.00 47.94 40 A 1 ATOM 308 N NZ . LYS A 0 40 . 3.099 -8.530 -9.702 1.00 47.94 40 A 1 ATOM 309 N N . GLN A 0 41 . 5.282 -6.963 -2.176 1.00 39.02 41 A 1 ATOM 310 C CA . GLN A 0 41 . 6.541 -6.577 -1.526 1.00 39.02 41 A 1 ATOM 311 C C . GLN A 0 41 . 7.724 -7.036 -2.391 1.00 39.02 41 A 1 ATOM 312 C CB . GLN A 0 41 . 6.619 -7.157 -0.099 1.00 39.02 41 A 1 ATOM 313 O O . GLN A 0 41 . 7.752 -8.185 -2.823 1.00 39.02 41 A 1 ATOM 314 C CG . GLN A 0 41 . 5.484 -6.657 0.817 1.00 39.02 41 A 1 ATOM 315 C CD . GLN A 0 41 . 5.578 -7.161 2.257 1.00 39.02 41 A 1 ATOM 316 N NE2 . GLN A 0 41 . 4.593 -6.900 3.090 1.00 39.02 41 A 1 ATOM 317 O OE1 . GLN A 0 41 . 6.575 -7.678 2.736 1.00 39.02 41 A 1 ATOM 318 N N . GLY A 0 42 . 8.692 -6.155 -2.640 1.00 39.34 42 A 1 ATOM 319 C CA . GLY A 0 42 . 9.899 -6.446 -3.416 1.00 39.34 42 A 1 ATOM 320 C C . GLY A 0 42 . 10.833 -5.232 -3.468 1.00 39.34 42 A 1 ATOM 321 O O . GLY A 0 42 . 10.394 -4.129 -3.146 1.00 39.34 42 A 1 ATOM 322 N N . PRO A 0 43 . 12.117 -5.403 -3.828 1.00 41.07 43 A 1 ATOM 323 C CA . PRO A 0 43 . 13.000 -4.273 -4.090 1.00 41.07 43 A 1 ATOM 324 C C . PRO A 0 43 . 12.537 -3.583 -5.374 1.00 41.07 43 A 1 ATOM 325 C CB . PRO A 0 43 . 14.403 -4.874 -4.207 1.00 41.07 43 A 1 ATOM 326 O O . PRO A 0 43 . 12.582 -4.175 -6.453 1.00 41.07 43 A 1 ATOM 327 C CG . PRO A 0 43 . 14.147 -6.295 -4.714 1.00 41.07 43 A 1 ATOM 328 C CD . PRO A 0 43 . 12.783 -6.662 -4.126 1.00 41.07 43 A 1 ATOM 329 N N . PHE A 0 44 . 12.071 -2.344 -5.260 1.00 45.67 44 A 1 ATOM 330 C CA . PHE A 0 44 . 11.645 -1.565 -6.412 1.00 45.67 44 A 1 ATOM 331 C C . PHE A 0 44 . 12.660 -0.455 -6.654 1.00 45.67 44 A 1 ATOM 332 C CB . PHE A 0 44 . 10.220 -1.048 -6.205 1.00 45.67 44 A 1 ATOM 333 O O . PHE A 0 44 . 12.922 0.366 -5.778 1.00 45.67 44 A 1 ATOM 334 C CG . PHE A 0 44 . 9.196 -2.136 -5.924 1.00 45.67 44 A 1 ATOM 335 C CD1 . PHE A 0 44 . 8.784 -3.013 -6.945 1.00 45.67 44 A 1 ATOM 336 C CD2 . PHE A 0 44 . 8.654 -2.277 -4.633 1.00 45.67 44 A 1 ATOM 337 C CE1 . PHE A 0 44 . 7.846 -4.027 -6.672 1.00 45.67 44 A 1 ATOM 338 C CE2 . PHE A 0 44 . 7.699 -3.278 -4.366 1.00 45.67 44 A 1 ATOM 339 C CZ . PHE A 0 44 . 7.293 -4.151 -5.387 1.00 45.67 44 A 1 ATOM 340 N N . PHE A 0 45 . 13.236 -0.433 -7.853 1.00 40.81 45 A 1 ATOM 341 C CA . PHE A 0 45 . 14.017 0.709 -8.304 1.00 40.81 45 A 1 ATOM 342 C C . PHE A 0 45 . 13.046 1.733 -8.847 1.00 40.81 45 A 1 ATOM 343 C CB . PHE A 0 45 . 15.039 0.292 -9.360 1.00 40.81 45 A 1 ATOM 344 O O . PHE A 0 45 . 12.425 1.508 -9.886 1.00 40.81 45 A 1 ATOM 345 C CG . PHE A 0 45 . 16.185 -0.485 -8.762 1.00 40.81 45 A 1 ATOM 346 C CD1 . PHE A 0 45 . 17.290 0.205 -8.231 1.00 40.81 45 A 1 ATOM 347 C CD2 . PHE A 0 45 . 16.129 -1.888 -8.691 1.00 40.81 45 A 1 ATOM 348 C CE1 . PHE A 0 45 . 18.346 -0.512 -7.647 1.00 40.81 45 A 1 ATOM 349 C CE2 . PHE A 0 45 . 17.181 -2.603 -8.094 1.00 40.81 45 A 1 ATOM 350 C CZ . PHE A 0 45 . 18.290 -1.914 -7.573 1.00 40.81 45 A 1 ATOM 351 N N . ILE A 0 46 . 12.904 2.840 -8.128 1.00 47.41 46 A 1 ATOM 352 C CA . ILE A 0 46 . 12.130 3.959 -8.628 1.00 47.41 46 A 1 ATOM 353 C C . ILE A 0 46 . 13.055 5.146 -8.812 1.00 47.41 46 A 1 ATOM 354 C CB . ILE A 0 46 . 10.884 4.246 -7.781 1.00 47.41 46 A 1 ATOM 355 O O . ILE A 0 46 . 13.806 5.535 -7.916 1.00 47.41 46 A 1 ATOM 356 C CG1 . ILE A 0 46 . 10.022 2.974 -7.611 1.00 47.41 46 A 1 ATOM 357 C CG2 . ILE A 0 46 . 10.110 5.294 -8.587 1.00 47.41 46 A 1 ATOM 358 C CD1 . ILE A 0 46 . 8.763 3.124 -6.752 1.00 47.41 46 A 1 ATOM 359 N N . ASN A 0 47 . 13.017 5.702 -10.018 1.00 43.95 47 A 1 ATOM 360 C CA . ASN A 0 47 . 13.747 6.912 -10.319 1.00 43.95 47 A 1 ATOM 361 C C . ASN A 0 47 . 12.949 8.091 -9.762 1.00 43.95 47 A 1 ATOM 362 C CB . ASN A 0 47 . 13.983 7.012 -11.829 1.00 43.95 47 A 1 ATOM 363 O O . ASN A 0 47 . 11.922 8.466 -10.331 1.00 43.95 47 A 1 ATOM 364 C CG . ASN A 0 47 . 14.910 5.952 -12.392 1.00 43.95 47 A 1 ATOM 365 N ND2 . ASN A 0 47 . 14.918 5.779 -13.693 1.00 43.95 47 A 1 ATOM 366 O OD1 . ASN A 0 47 . 15.668 5.303 -11.694 1.00 43.95 47 A 1 ATOM 367 N N . ASN A 0 48 . 13.421 8.679 -8.661 1.00 42.66 48 A 1 ATOM 368 C CA . ASN A 0 48 . 12.888 9.962 -8.219 1.00 42.66 48 A 1 ATOM 369 C C . ASN A 0 48 . 13.251 11.004 -9.276 1.00 42.66 48 A 1 ATOM 370 C CB . ASN A 0 48 . 13.420 10.350 -6.821 1.00 42.66 48 A 1 ATOM 371 O O . ASN A 0 48 . 14.418 11.117 -9.670 1.00 42.66 48 A 1 ATOM 372 C CG . ASN A 0 48 . 12.349 10.392 -5.741 1.00 42.66 48 A 1 ATOM 373 N ND2 . ASN A 0 48 . 12.742 10.442 -4.491 1.00 42.66 48 A 1 ATOM 374 O OD1 . ASN A 0 48 . 11.156 10.404 -5.992 1.00 42.66 48 A 1 ATOM 375 N N . TYR A 0 49 . 12.248 11.739 -9.748 1.00 43.11 49 A 1 ATOM 376 C CA . TYR A 0 49 . 12.460 12.905 -10.587 1.00 43.11 49 A 1 ATOM 377 C C . TYR A 0 49 . 12.498 14.128 -9.685 1.00 43.11 49 A 1 ATOM 378 C CB . TYR A 0 49 . 11.408 12.997 -11.703 1.00 43.11 49 A 1 ATOM 379 O O . TYR A 0 49 . 11.518 14.472 -9.030 1.00 43.11 49 A 1 ATOM 380 C CG . TYR A 0 49 . 9.961 12.868 -11.261 1.00 43.11 49 A 1 ATOM 381 C CD1 . TYR A 0 49 . 9.369 11.592 -11.180 1.00 43.11 49 A 1 ATOM 382 C CD2 . TYR A 0 49 . 9.209 14.014 -10.933 1.00 43.11 49 A 1 ATOM 383 C CE1 . TYR A 0 49 . 8.031 11.462 -10.766 1.00 43.11 49 A 1 ATOM 384 C CE2 . TYR A 0 49 . 7.869 13.887 -10.520 1.00 43.11 49 A 1 ATOM 385 O OH . TYR A 0 49 . 5.989 12.476 -10.033 1.00 43.11 49 A 1 ATOM 386 C CZ . TYR A 0 49 . 7.280 12.607 -10.435 1.00 43.11 49 A 1 ATOM 387 N N . ASP A 0 50 . 13.646 14.788 -9.661 1.00 42.02 50 A 1 ATOM 388 C CA . ASP A 0 50 . 13.749 16.113 -9.077 1.00 42.02 50 A 1 ATOM 389 C C . ASP A 0 50 . 13.697 17.126 -10.223 1.00 42.02 50 A 1 ATOM 390 C CB . ASP A 0 50 . 15.005 16.200 -8.196 1.00 42.02 50 A 1 ATOM 391 O O . ASP A 0 50 . 14.504 17.066 -11.165 1.00 42.02 50 A 1 ATOM 392 C CG . ASP A 0 50 . 14.856 17.172 -7.021 1.00 42.02 50 A 1 ATOM 393 O OD1 . ASP A 0 50 . 13.812 17.856 -6.946 1.00 42.02 50 A 1 ATOM 394 O OD2 . ASP A 0 50 . 15.821 17.230 -6.229 1.00 42.02 50 A 1 ATOM 395 N N . ILE A 0 51 . 12.720 18.037 -10.186 1.00 42.82 51 A 1 ATOM 396 C CA . ILE A 0 51 . 12.707 19.194 -11.084 1.00 42.82 51 A 1 ATOM 397 C C . ILE A 0 51 . 13.704 20.176 -10.483 1.00 42.82 51 A 1 ATOM 398 C CB . ILE A 0 51 . 11.300 19.798 -11.307 1.00 42.82 51 A 1 ATOM 399 O O . ILE A 0 51 . 13.352 21.098 -9.751 1.00 42.82 51 A 1 ATOM 400 C CG1 . ILE A 0 51 . 10.329 18.730 -11.861 1.00 42.82 51 A 1 ATOM 401 C CG2 . ILE A 0 51 . 11.396 20.986 -12.292 1.00 42.82 51 A 1 ATOM 402 C CD1 . ILE A 0 51 . 8.877 19.211 -11.982 1.00 42.82 51 A 1 ATOM 403 N N . GLY A 0 52 . 14.984 19.945 -10.768 1.00 41.92 52 A 1 ATOM 404 C CA . GLY A 0 52 . 16.024 20.889 -10.394 1.00 41.92 52 A 1 ATOM 405 C C . GLY A 0 52 . 15.709 22.278 -10.958 1.00 41.92 52 A 1 ATOM 406 O O . GLY A 0 52 . 15.055 22.415 -11.995 1.00 41.92 52 A 1 ATOM 407 N N . THR A 0 53 . 16.253 23.317 -10.328 1.00 43.37 53 A 1 ATOM 408 C CA . THR A 0 53 . 16.065 24.749 -10.652 1.00 43.37 53 A 1 ATOM 409 C C . THR A 0 53 . 16.383 25.162 -12.101 1.00 43.37 53 A 1 ATOM 410 C CB . THR A 0 53 . 16.914 25.602 -9.690 1.00 43.37 53 A 1 ATOM 411 O O . THR A 0 53 . 16.174 26.311 -12.470 1.00 43.37 53 A 1 ATOM 412 C CG2 . THR A 0 53 . 16.293 25.678 -8.296 1.00 43.37 53 A 1 ATOM 413 O OG1 . THR A 0 53 . 18.200 25.030 -9.530 1.00 43.37 53 A 1 ATOM 414 N N . ARG A 0 54 . 16.865 24.243 -12.950 1.00 47.04 54 A 1 ATOM 415 C CA . ARG A 0 54 . 17.151 24.451 -14.382 1.00 47.04 54 A 1 ATOM 416 C C . ARG A 0 54 . 16.212 23.698 -15.337 1.00 47.04 54 A 1 ATOM 417 C CB . ARG A 0 54 . 18.631 24.146 -14.664 1.00 47.04 54 A 1 ATOM 418 O O . ARG A 0 54 . 16.514 23.609 -16.522 1.00 47.04 54 A 1 ATOM 419 C CG . ARG A 0 54 . 19.564 25.171 -14.009 1.00 47.04 54 A 1 ATOM 420 C CD . ARG A 0 54 . 21.009 24.893 -14.434 1.00 47.04 54 A 1 ATOM 421 N NE . ARG A 0 54 . 21.937 25.890 -13.872 1.00 47.04 54 A 1 ATOM 422 N NH1 . ARG A 0 54 . 23.903 24.863 -14.472 1.00 47.04 54 A 1 ATOM 423 N NH2 . ARG A 0 54 . 23.963 26.804 -13.378 1.00 47.04 54 A 1 ATOM 424 C CZ . ARG A 0 54 . 23.257 25.848 -13.909 1.00 47.04 54 A 1 ATOM 425 N N . GLY A 0 55 . 15.122 23.105 -14.849 1.00 45.67 55 A 1 ATOM 426 C CA . GLY A 0 55 . 14.122 22.440 -15.696 1.00 45.67 55 A 1 ATOM 427 C C . GLY A 0 55 . 14.587 21.143 -16.378 1.00 45.67 55 A 1 ATOM 428 O O . GLY A 0 55 . 13.879 20.616 -17.230 1.00 45.67 55 A 1 ATOM 429 N N . ARG A 0 56 . 15.758 20.595 -16.022 1.00 41.13 56 A 1 ATOM 430 C CA . ARG A 0 56 . 16.197 19.265 -16.477 1.00 41.13 56 A 1 ATOM 431 C C . ARG A 0 56 . 15.858 18.223 -15.418 1.00 41.13 56 A 1 ATOM 432 C CB . ARG A 0 56 . 17.696 19.247 -16.822 1.00 41.13 56 A 1 ATOM 433 O O . ARG A 0 56 . 16.417 18.273 -14.325 1.00 41.13 56 A 1 ATOM 434 C CG . ARG A 0 56 . 18.000 19.939 -18.160 1.00 41.13 56 A 1 ATOM 435 C CD . ARG A 0 56 . 19.469 19.724 -18.552 1.00 41.13 56 A 1 ATOM 436 N NE . ARG A 0 56 . 19.790 20.363 -19.843 1.00 41.13 56 A 1 ATOM 437 N NH1 . ARG A 0 56 . 22.012 19.776 -19.952 1.00 41.13 56 A 1 ATOM 438 N NH2 . ARG A 0 56 . 21.113 20.980 -21.597 1.00 41.13 56 A 1 ATOM 439 C CZ . ARG A 0 56 . 20.964 20.370 -20.455 1.00 41.13 56 A 1 ATOM 440 N N . MET A 0 57 . 14.998 17.266 -15.770 1.00 42.65 57 A 1 ATOM 441 C CA . MET A 0 57 . 14.745 16.075 -14.956 1.00 42.65 57 A 1 ATOM 442 C C . MET A 0 57 . 16.044 15.275 -14.816 1.00 42.65 57 A 1 ATOM 443 C CB . MET A 0 57 . 13.650 15.204 -15.598 1.00 42.65 57 A 1 ATOM 444 O O . MET A 0 57 . 16.587 14.783 -15.807 1.00 42.65 57 A 1 ATOM 445 C CG . MET A 0 57 . 12.243 15.759 -15.362 1.00 42.65 57 A 1 ATOM 446 S SD . MET A 0 57 . 10.956 14.821 -16.224 1.00 42.65 57 A 1 ATOM 447 C CE . MET A 0 57 . 9.475 15.635 -15.567 1.00 42.65 57 A 1 ATOM 448 N N . ARG A 0 58 . 16.561 15.162 -13.589 1.00 41.19 58 A 1 ATOM 449 C CA . ARG A 0 58 . 17.626 14.209 -13.254 1.00 41.19 58 A 1 ATOM 450 C C . ARG A 0 58 . 17.006 13.025 -12.530 1.00 41.19 58 A 1 ATOM 451 C CB . ARG A 0 58 . 18.738 14.861 -12.422 1.00 41.19 58 A 1 ATOM 452 O O . ARG A 0 58 . 16.310 13.208 -11.537 1.00 41.19 58 A 1 ATOM 453 C CG . ARG A 0 58 . 19.770 15.570 -13.308 1.00 41.19 58 A 1 ATOM 454 C CD . ARG A 0 58 . 20.925 16.079 -12.441 1.00 41.19 58 A 1 ATOM 455 N NE . ARG A 0 58 . 22.022 16.648 -13.248 1.00 41.19 58 A 1 ATOM 456 N NH1 . ARG A 0 58 . 23.321 17.307 -11.474 1.00 41.19 58 A 1 ATOM 457 N NH2 . ARG A 0 58 . 24.067 17.615 -13.555 1.00 41.19 58 A 1 ATOM 458 C CZ . ARG A 0 58 . 23.125 17.190 -12.759 1.00 41.19 58 A 1 ATOM 459 N N . TYR A 0 59 . 17.277 11.834 -13.050 1.00 47.86 59 A 1 ATOM 460 C CA . TYR A 0 59 . 16.854 10.574 -12.457 1.00 47.86 59 A 1 ATOM 461 C C . TYR A 0 59 . 17.905 10.128 -11.444 1.00 47.86 59 A 1 ATOM 462 C CB . TYR A 0 59 . 16.663 9.530 -13.566 1.00 47.86 59 A 1 ATOM 463 O O . TYR A 0 59 . 19.049 9.871 -11.820 1.00 47.86 59 A 1 ATOM 464 C CG . TYR A 0 59 . 15.600 9.893 -14.588 1.00 47.86 59 A 1 ATOM 465 C CD1 . TYR A 0 59 . 14.234 9.752 -14.273 1.00 47.86 59 A 1 ATOM 466 C CD2 . TYR A 0 59 . 15.972 10.392 -15.852 1.00 47.86 59 A 1 ATOM 467 C CE1 . TYR A 0 59 . 13.247 10.046 -15.228 1.00 47.86 59 A 1 ATOM 468 C CE2 . TYR A 0 59 . 14.985 10.728 -16.799 1.00 47.86 59 A 1 ATOM 469 O OH . TYR A 0 59 . 12.658 10.833 -17.403 1.00 47.86 59 A 1 ATOM 470 C CZ . TYR A 0 59 . 13.620 10.536 -16.493 1.00 47.86 59 A 1 ATOM 471 N N . TYR A 0 60 . 17.514 10.024 -10.176 1.00 47.32 60 A 1 ATOM 472 C CA . TYR A 0 60 . 18.327 9.367 -9.157 1.00 47.32 60 A 1 ATOM 473 C C . TYR A 0 60 . 17.646 8.048 -8.781 1.00 47.32 60 A 1 ATOM 474 C CB . TYR A 0 60 . 18.547 10.283 -7.949 1.00 47.32 60 A 1 ATOM 475 O O . TYR A 0 60 . 16.481 8.078 -8.371 1.00 47.32 60 A 1 ATOM 476 C CG . TYR A 0 60 . 19.260 11.576 -8.300 1.00 47.32 60 A 1 ATOM 477 C CD1 . TYR A 0 60 . 20.660 11.604 -8.469 1.00 47.32 60 A 1 ATOM 478 C CD2 . TYR A 0 60 . 18.510 12.753 -8.478 1.00 47.32 60 A 1 ATOM 479 C CE1 . TYR A 0 60 . 21.310 12.811 -8.803 1.00 47.32 60 A 1 ATOM 480 C CE2 . TYR A 0 60 . 19.154 13.963 -8.788 1.00 47.32 60 A 1 ATOM 481 O OH . TYR A 0 60 . 21.156 15.186 -9.225 1.00 47.32 60 A 1 ATOM 482 C CZ . TYR A 0 60 . 20.555 13.996 -8.948 1.00 47.32 60 A 1 ATOM 483 N N . PRO A 0 61 . 18.321 6.895 -8.939 1.00 48.17 61 A 1 ATOM 484 C CA . PRO A 0 61 . 17.768 5.628 -8.492 1.00 48.17 61 A 1 ATOM 485 C C . PRO A 0 61 . 17.704 5.647 -6.964 1.00 48.17 61 A 1 ATOM 486 C CB . PRO A 0 61 . 18.703 4.550 -9.048 1.00 48.17 61 A 1 ATOM 487 O O . PRO A 0 61 . 18.735 5.713 -6.292 1.00 48.17 61 A 1 ATOM 488 C CG . PRO A 0 61 . 20.047 5.265 -9.197 1.00 48.17 61 A 1 ATOM 489 C CD . PRO A 0 61 . 19.657 6.712 -9.491 1.00 48.17 61 A 1 ATOM 490 N N . VAL A 0 62 . 16.494 5.611 -6.408 1.00 50.62 62 A 1 ATOM 491 C CA . VAL A 0 62 . 16.298 5.486 -4.963 1.00 50.62 62 A 1 ATOM 492 C C . VAL A 0 62 . 16.023 4.022 -4.665 1.00 50.62 62 A 1 ATOM 493 C CB . VAL A 0 62 . 15.197 6.417 -4.429 1.00 50.62 62 A 1 ATOM 494 O O . VAL A 0 62 . 15.081 3.428 -5.190 1.00 50.62 62 A 1 ATOM 495 C CG1 . VAL A 0 62 . 15.171 6.399 -2.896 1.00 50.62 62 A 1 ATOM 496 C CG2 . VAL A 0 62 . 15.462 7.867 -4.844 1.00 50.62 62 A 1 ATOM 497 N N . ASN A 0 63 . 16.877 3.428 -3.831 1.00 48.47 63 A 1 ATOM 498 C CA . ASN A 0 63 . 16.658 2.088 -3.301 1.00 48.47 63 A 1 ATOM 499 C C . ASN A 0 63 . 15.566 2.151 -2.229 1.00 48.47 63 A 1 ATOM 500 C CB . ASN A 0 63 . 17.990 1.506 -2.779 1.00 48.47 63 A 1 ATOM 501 O O . ASN A 0 63 . 15.852 2.300 -1.040 1.00 48.47 63 A 1 ATOM 502 C CG . ASN A 0 63 . 18.700 0.627 -3.790 1.00 48.47 63 A 1 ATOM 503 N ND2 . ASN A 0 63 . 19.986 0.416 -3.637 1.00 48.47 63 A 1 ATOM 504 O OD1 . ASN A 0 63 . 18.118 0.064 -4.694 1.00 48.47 63 A 1 ATOM 505 N N . GLU A 0 64 . 14.314 2.035 -2.659 1.00 53.99 64 A 1 ATOM 506 C CA . GLU A 0 64 . 13.155 1.976 -1.776 1.00 53.99 64 A 1 ATOM 507 C C . GLU A 0 64 . 12.672 0.521 -1.630 1.00 53.99 64 A 1 ATOM 508 C CB . GLU A 0 64 . 12.063 2.928 -2.266 1.00 53.99 64 A 1 ATOM 509 O O . GLU A 0 64 . 12.337 -0.144 -2.613 1.00 53.99 64 A 1 ATOM 510 C CG . GLU A 0 64 . 12.446 4.401 -1.969 1.00 53.99 64 A 1 ATOM 511 C CD . GLU A 0 64 . 11.425 5.187 -1.141 1.00 53.99 64 A 1 ATOM 512 O OE1 . GLU A 0 64 . 11.575 6.426 -1.054 1.00 53.99 64 A 1 ATOM 513 O OE2 . GLU A 0 64 . 10.536 4.535 -0.548 1.00 53.99 64 A 1 ATOM 514 N N . PRO A 0 65 . 12.661 -0.037 -0.406 1.00 50.82 65 A 1 ATOM 515 C CA . PRO A 0 65 . 12.513 -1.477 -0.204 1.00 50.82 65 A 1 ATOM 516 C C . PRO A 0 65 . 11.060 -1.964 -0.229 1.00 50.82 65 A 1 ATOM 517 C CB . PRO A 0 65 . 13.174 -1.742 1.149 1.00 50.82 65 A 1 ATOM 518 O O . PRO A 0 65 . 10.840 -3.175 -0.221 1.00 50.82 65 A 1 ATOM 519 C CG . PRO A 0 65 . 12.906 -0.445 1.910 1.00 50.82 65 A 1 ATOM 520 C CD . PRO A 0 65 . 12.983 0.631 0.843 1.00 50.82 65 A 1 ATOM 521 N N . LYS A 0 66 . 10.070 -1.061 -0.186 1.00 51.31 66 A 1 ATOM 522 C CA . LYS A 0 66 . 8.648 -1.422 -0.168 1.00 51.31 66 A 1 ATOM 523 C C . LYS A 0 66 . 7.778 -0.369 -0.850 1.00 51.31 66 A 1 ATOM 524 C CB . LYS A 0 66 . 8.169 -1.629 1.282 1.00 51.31 66 A 1 ATOM 525 O O . LYS A 0 66 . 7.698 0.765 -0.392 1.00 51.31 66 A 1 ATOM 526 C CG . LYS A 0 66 . 8.170 -3.106 1.680 1.00 51.31 66 A 1 ATOM 527 C CD . LYS A 0 66 . 7.522 -3.304 3.051 1.00 51.31 66 A 1 ATOM 528 C CE . LYS A 0 66 . 7.540 -4.802 3.332 1.00 51.31 66 A 1 ATOM 529 N NZ . LYS A 0 66 . 6.629 -5.183 4.429 1.00 51.31 66 A 1 ATOM 530 N N . LEU A 0 67 . 7.045 -0.805 -1.872 1.00 60.61 67 A 1 ATOM 531 C CA . LEU A 0 67 . 5.846 -0.135 -2.372 1.00 60.61 67 A 1 ATOM 532 C C . LEU A 0 67 . 4.614 -0.818 -1.793 1.00 60.61 67 A 1 ATOM 533 C CB . LEU A 0 67 . 5.783 -0.207 -3.904 1.00 60.61 67 A 1 ATOM 534 O O . LEU A 0 67 . 4.518 -2.043 -1.788 1.00 60.61 67 A 1 ATOM 535 C CG . LEU A 0 67 . 6.633 0.868 -4.594 1.00 60.61 67 A 1 ATOM 536 C CD1 . LEU A 0 67 . 7.055 0.398 -5.985 1.00 60.61 67 A 1 ATOM 537 C CD2 . LEU A 0 67 . 5.824 2.162 -4.732 1.00 60.61 67 A 1 ATOM 538 N N . ILE A 0 68 . 3.640 -0.029 -1.360 1.00 58.92 68 A 1 ATOM 539 C CA . ILE A 0 68 . 2.285 -0.516 -1.095 1.00 58.92 68 A 1 ATOM 540 C C . ILE A 0 68 . 1.400 0.033 -2.181 1.00 58.92 68 A 1 ATOM 541 C CB . ILE A 0 68 . 1.728 -0.027 0.245 1.00 58.92 68 A 1 ATOM 542 O O . ILE A 0 68 . 1.316 1.246 -2.323 1.00 58.92 68 A 1 ATOM 543 C CG1 . ILE A 0 68 . 2.620 -0.454 1.404 1.00 58.92 68 A 1 ATOM 544 C CG2 . ILE A 0 68 . 0.297 -0.555 0.488 1.00 58.92 68 A 1 ATOM 545 C CD1 . ILE A 0 68 . 2.302 0.443 2.611 1.00 58.92 68 A 1 ATOM 546 N N . CYS A 0 69 . 0.675 -0.838 -2.864 1.00 62.88 69 A 1 ATOM 547 C CA . CYS A 0 69 . -0.365 -0.428 -3.789 1.00 62.88 69 A 1 ATOM 548 C C . CYS A 0 69 . -1.742 -0.734 -3.207 1.00 62.88 69 A 1 ATOM 549 C CB . CYS A 0 69 . -0.115 -1.095 -5.133 1.00 62.88 69 A 1 ATOM 550 O O . CYS A 0 69 . -1.981 -1.836 -2.710 1.00 62.88 69 A 1 ATOM 551 S SG . CYS A 0 69 . 1.423 -0.549 -5.913 1.00 62.88 69 A 1 ATOM 552 N N . THR A 0 70 . -2.644 0.238 -3.283 1.00 59.57 70 A 1 ATOM 553 C CA . THR A 0 70 . -4.061 0.096 -2.953 1.00 59.57 70 A 1 ATOM 554 C C . THR A 0 70 . -4.897 0.394 -4.191 1.00 59.57 70 A 1 ATOM 555 C CB . THR A 0 70 . -4.481 0.985 -1.769 1.00 59.57 70 A 1 ATOM 556 O O . THR A 0 70 . -4.526 1.219 -5.024 1.00 59.57 70 A 1 ATOM 557 C CG2 . THR A 0 70 . -3.642 0.726 -0.517 1.00 59.57 70 A 1 ATOM 558 O OG1 . THR A 0 70 . -4.361 2.354 -2.073 1.00 59.57 70 A 1 ATOM 559 N N . GLN A 0 71 . -6.028 -0.295 -4.341 1.00 57.27 71 A 1 ATOM 560 C CA . GLN A 0 71 . -6.942 -0.088 -5.461 1.00 57.27 71 A 1 ATOM 561 C C . GLN A 0 71 . -8.302 0.371 -4.937 1.00 57.27 71 A 1 ATOM 562 C CB . GLN A 0 71 . -7.032 -1.371 -6.290 1.00 57.27 71 A 1 ATOM 563 O O . GLN A 0 71 . -8.917 -0.314 -4.124 1.00 57.27 71 A 1 ATOM 564 C CG . GLN A 0 71 . -7.805 -1.158 -7.601 1.00 57.27 71 A 1 ATOM 565 C CD . GLN A 0 71 . -8.011 -2.466 -8.351 1.00 57.27 71 A 1 ATOM 566 N NE2 . GLN A 0 71 . -8.639 -2.438 -9.507 1.00 57.27 71 A 1 ATOM 567 O OE1 . GLN A 0 71 . -7.643 -3.538 -7.905 1.00 57.27 71 A 1 ATOM 568 N N . SER A 0 72 . -8.781 1.519 -5.418 1.00 56.72 72 A 1 ATOM 569 C CA . SER A 0 72 . -10.106 2.053 -5.087 1.00 56.72 72 A 1 ATOM 570 C C . SER A 0 72 . -10.745 2.673 -6.325 1.00 56.72 72 A 1 ATOM 571 C CB . SER A 0 72 . -10.007 3.081 -3.960 1.00 56.72 72 A 1 ATOM 572 O O . SER A 0 72 . -10.110 3.451 -7.032 1.00 56.72 72 A 1 ATOM 573 O OG . SER A 0 72 . -11.310 3.505 -3.614 1.00 56.72 72 A 1 ATOM 574 N N . GLY A 0 73 . -11.987 2.288 -6.634 1.00 53.91 73 A 1 ATOM 575 C CA . GLY A 0 73 . -12.717 2.816 -7.795 1.00 53.91 73 A 1 ATOM 576 C C . GLY A 0 73 . -12.052 2.550 -9.154 1.00 53.91 73 A 1 ATOM 577 O O . GLY A 0 73 . -12.280 3.296 -10.096 1.00 53.91 73 A 1 ATOM 578 N N . GLY A 0 74 . -11.206 1.520 -9.264 1.00 49.43 74 A 1 ATOM 579 C CA . GLY A 0 74 . -10.420 1.241 -10.475 1.00 49.43 74 A 1 ATOM 580 C C . GLY A 0 74 . -9.077 1.976 -10.550 1.00 49.43 74 A 1 ATOM 581 O O . GLY A 0 74 . -8.252 1.606 -11.375 1.00 49.43 74 A 1 ATOM 582 N N . ILE A 0 75 . -8.817 2.930 -9.653 1.00 50.99 75 A 1 ATOM 583 C CA . ILE A 0 75 . -7.547 3.657 -9.568 1.00 50.99 75 A 1 ATOM 584 C C . ILE A 0 75 . -6.599 2.891 -8.645 1.00 50.99 75 A 1 ATOM 585 C CB . ILE A 0 75 . -7.777 5.107 -9.080 1.00 50.99 75 A 1 ATOM 586 O O . ILE A 0 75 . -6.958 2.576 -7.507 1.00 50.99 75 A 1 ATOM 587 C CG1 . ILE A 0 75 . -8.786 5.840 -9.998 1.00 50.99 75 A 1 ATOM 588 C CG2 . ILE A 0 75 . -6.438 5.870 -9.019 1.00 50.99 75 A 1 ATOM 589 C CD1 . ILE A 0 75 . -9.190 7.234 -9.504 1.00 50.99 75 A 1 ATOM 590 N N . ILE A 0 76 . -5.388 2.613 -9.127 1.00 56.59 76 A 1 ATOM 591 C CA . ILE A 0 76 . -4.302 2.035 -8.330 1.00 56.59 76 A 1 ATOM 592 C C . ILE A 0 76 . -3.433 3.188 -7.819 1.00 56.59 76 A 1 ATOM 593 C CB . ILE A 0 76 . -3.500 0.991 -9.142 1.00 56.59 76 A 1 ATOM 594 O O . ILE A 0 76 . -2.907 3.965 -8.610 1.00 56.59 76 A 1 ATOM 595 C CG1 . ILE A 0 76 . -4.427 -0.148 -9.637 1.00 56.59 76 A 1 ATOM 596 C CG2 . ILE A 0 76 . -2.363 0.414 -8.275 1.00 56.59 76 A 1 ATOM 597 C CD1 . ILE A 0 76 . -3.761 -1.128 -10.612 1.00 56.59 76 A 1 ATOM 598 N N . LYS A 0 77 . -3.297 3.315 -6.499 1.00 54.18 77 A 1 ATOM 599 C CA . LYS A 0 77 . -2.402 4.278 -5.846 1.00 54.18 77 A 1 ATOM 600 C C . LYS A 0 77 . -1.290 3.518 -5.155 1.00 54.18 77 A 1 ATOM 601 C CB . LYS A 0 77 . -3.162 5.130 -4.822 1.00 54.18 77 A 1 ATOM 602 O O . LYS A 0 77 . -1.588 2.586 -4.409 1.00 54.18 77 A 1 ATOM 603 C CG . LYS A 0 77 . -4.176 6.062 -5.491 1.00 54.18 77 A 1 ATOM 604 C CD . LYS A 0 77 . -4.848 6.955 -4.445 1.00 54.18 77 A 1 ATOM 605 C CE . LYS A 0 77 . -5.819 7.914 -5.138 1.00 54.18 77 A 1 ATOM 606 N NZ . LYS A 0 77 . -6.399 8.886 -4.178 1.00 54.18 77 A 1 ATOM 607 N N . CYS A 0 78 . -0.043 3.925 -5.363 1.00 60.94 78 A 1 ATOM 608 C CA . CYS A 0 78 . 1.087 3.311 -4.685 1.00 60.94 78 A 1 ATOM 609 C C . CYS A 0 78 . 1.889 4.316 -3.867 1.00 60.94 78 A 1 ATOM 610 C CB . CYS A 0 78 . 1.925 2.498 -5.662 1.00 60.94 78 A 1 ATOM 611 O O . CYS A 0 78 . 2.060 5.468 -4.264 1.00 60.94 78 A 1 ATOM 612 S SG . CYS A 0 78 . 0.943 1.309 -6.614 1.00 60.94 78 A 1 ATOM 613 N N . TYR A 0 79 . 2.348 3.855 -2.707 1.00 57.89 79 A 1 ATOM 614 C CA . TYR A 0 79 . 3.033 4.649 -1.699 1.00 57.89 79 A 1 ATOM 615 C C . TYR A 0 79 . 4.362 4.000 -1.338 1.00 57.89 79 A 1 ATOM 616 C CB . TYR A 0 79 . 2.169 4.791 -0.438 1.00 57.89 79 A 1 ATOM 617 O O . TYR A 0 79 . 4.453 2.777 -1.194 1.00 57.89 79 A 1 ATOM 618 C CG . TYR A 0 79 . 0.734 5.197 -0.697 1.00 57.89 79 A 1 ATOM 619 C CD1 . TYR A 0 79 . 0.390 6.556 -0.814 1.00 57.89 79 A 1 ATOM 620 C CD2 . TYR A 0 79 . -0.252 4.203 -0.854 1.00 57.89 79 A 1 ATOM 621 C CE1 . TYR A 0 79 . -0.945 6.927 -1.056 1.00 57.89 79 A 1 ATOM 622 C CE2 . TYR A 0 79 . -1.584 4.567 -1.118 1.00 57.89 79 A 1 ATOM 623 O OH . TYR A 0 79 . -3.225 6.298 -1.417 1.00 57.89 79 A 1 ATOM 624 C CZ . TYR A 0 79 . -1.935 5.930 -1.202 1.00 57.89 79 A 1 ATOM 625 N N . TYR A 0 80 . 5.356 4.854 -1.154 1.00 58.37 80 A 1 ATOM 626 C CA . TYR A 0 80 . 6.668 4.522 -0.631 1.00 58.37 80 A 1 ATOM 627 C C . TYR A 0 80 . 6.625 4.223 0.858 1.00 58.37 80 A 1 ATOM 628 C CB . TYR A 0 80 . 7.558 5.725 -0.883 1.00 58.37 80 A 1 ATOM 629 O O . TYR A 0 80 . 5.912 4.881 1.621 1.00 58.37 80 A 1 ATOM 630 C CG . TYR A 0 80 . 7.842 5.912 -2.347 1.00 58.37 80 A 1 ATOM 631 C CD1 . TYR A 0 80 . 8.667 4.989 -3.014 1.00 58.37 80 A 1 ATOM 632 C CD2 . TYR A 0 80 . 7.294 7.015 -3.026 1.00 58.37 80 A 1 ATOM 633 C CE1 . TYR A 0 80 . 9.046 5.239 -4.336 1.00 58.37 80 A 1 ATOM 634 C CE2 . TYR A 0 80 . 7.631 7.239 -4.366 1.00 58.37 80 A 1 ATOM 635 O OH . TYR A 0 80 . 8.998 6.676 -6.221 1.00 58.37 80 A 1 ATOM 636 C CZ . TYR A 0 80 . 8.538 6.370 -4.998 1.00 58.37 80 A 1 ATOM 637 N N . VAL A 0 81 . 7.404 3.231 1.275 1.00 54.49 81 A 1 ATOM 638 C CA . VAL A 0 81 . 7.497 2.827 2.672 1.00 54.49 81 A 1 ATOM 639 C C . VAL A 0 81 . 8.954 2.613 3.018 1.00 54.49 81 A 1 ATOM 640 C CB . VAL A 0 81 . 6.701 1.549 2.963 1.00 54.49 81 A 1 ATOM 641 O O . VAL A 0 81 . 9.623 1.729 2.476 1.00 54.49 81 A 1 ATOM 642 C CG1 . VAL A 0 81 . 6.396 1.401 4.457 1.00 54.49 81 A 1 ATOM 643 C CG2 . VAL A 0 81 . 5.381 1.456 2.224 1.00 54.49 81 A 1 ATOM 644 N N . ASN A 0 82 . 9.428 3.391 3.985 1.00 49.90 82 A 1 ATOM 645 C CA . ASN A 0 82 . 10.785 3.265 4.484 1.00 49.90 82 A 1 ATOM 646 C C . ASN A 0 82 . 11.064 1.858 5.032 1.00 49.90 82 A 1 ATOM 647 C CB . ASN A 0 82 . 11.063 4.369 5.526 1.00 49.90 82 A 1 ATOM 648 O O . ASN A 0 82 . 10.184 1.135 5.526 1.00 49.90 82 A 1 ATOM 649 C CG . ASN A 0 82 . 11.754 5.581 4.924 1.00 49.90 82 A 1 ATOM 650 N ND2 . ASN A 0 82 . 11.618 6.743 5.515 1.00 49.90 82 A 1 ATOM 651 O OD1 . ASN A 0 82 . 12.478 5.486 3.954 1.00 49.90 82 A 1 ATOM 652 N N . LYS A 0 83 . 12.339 1.468 4.983 1.00 45.56 83 A 1 ATOM 653 C CA . LYS A 0 83 . 12.809 0.215 5.579 1.00 45.56 83 A 1 ATOM 654 C C . LYS A 0 83 . 12.517 0.253 7.085 1.00 45.56 83 A 1 ATOM 655 C CB . LYS A 0 83 . 14.307 0.023 5.263 1.00 45.56 83 A 1 ATOM 656 O O . LYS A 0 83 . 13.031 1.110 7.790 1.00 45.56 83 A 1 ATOM 657 C CG . LYS A 0 83 . 14.653 -1.432 4.893 1.00 45.56 83 A 1 ATOM 658 C CD . LYS A 0 83 . 16.048 -1.506 4.253 1.00 45.56 83 A 1 ATOM 659 C CE . LYS A 0 83 . 16.358 -2.918 3.740 1.00 45.56 83 A 1 ATOM 660 N NZ . LYS A 0 83 . 17.731 -3.005 3.177 1.00 45.56 83 A 1 ATOM 661 N N . GLY A 0 84 . 11.668 -0.658 7.562 1.00 44.55 84 A 1 ATOM 662 C CA . GLY A 0 84 . 11.289 -0.770 8.980 1.00 44.55 84 A 1 ATOM 663 C C . GLY A 0 84 . 9.853 -0.352 9.308 1.00 44.55 84 A 1 ATOM 664 O O . GLY A 0 84 . 9.326 -0.766 10.339 1.00 44.55 84 A 1 ATOM 665 N N . THR A 0 85 . 9.166 0.370 8.421 1.00 46.18 85 A 1 ATOM 666 C CA . THR A 0 85 . 7.747 0.695 8.627 1.00 46.18 85 A 1 ATOM 667 C C . THR A 0 85 . 6.878 -0.550 8.419 1.00 46.18 85 A 1 ATOM 668 C CB . THR A 0 85 . 7.273 1.905 7.791 1.00 46.18 85 A 1 ATOM 669 O O . THR A 0 85 . 6.667 -1.021 7.299 1.00 46.18 85 A 1 ATOM 670 C CG2 . THR A 0 85 . 7.100 3.132 8.682 1.00 46.18 85 A 1 ATOM 671 O OG1 . THR A 0 85 . 8.213 2.355 6.847 1.00 46.18 85 A 1 ATOM 672 N N . ARG A 0 86 . 6.391 -1.132 9.525 1.00 45.78 86 A 1 ATOM 673 C CA . ARG A 0 86 . 5.356 -2.173 9.495 1.00 45.78 86 A 1 ATOM 674 C C . ARG A 0 86 . 4.009 -1.526 9.213 1.00 45.78 86 A 1 ATOM 675 C CB . ARG A 0 86 . 5.291 -2.975 10.805 1.00 45.78 86 A 1 ATOM 676 O O . ARG A 0 86 . 3.562 -0.649 9.943 1.00 45.78 86 A 1 ATOM 677 C CG . ARG A 0 86 . 6.365 -4.068 10.897 1.00 45.78 86 A 1 ATOM 678 C CD . ARG A 0 86 . 6.050 -5.014 12.065 1.00 45.78 86 A 1 ATOM 679 N NE . ARG A 0 86 . 7.020 -6.124 12.157 1.00 45.78 86 A 1 ATOM 680 N NH1 . ARG A 0 86 . 5.833 -7.464 13.606 1.00 45.78 86 A 1 ATOM 681 N NH2 . ARG A 0 86 . 7.834 -8.126 12.886 1.00 45.78 86 A 1 ATOM 682 C CZ . ARG A 0 86 . 6.890 -7.228 12.878 1.00 45.78 86 A 1 ATOM 683 N N . ILE A 0 87 . 3.342 -2.020 8.182 1.00 49.77 87 A 1 ATOM 684 C CA . ILE A 0 87 . 1.988 -1.605 7.836 1.00 49.77 87 A 1 ATOM 685 C C . ILE A 0 87 . 1.054 -2.339 8.784 1.00 49.77 87 A 1 ATOM 686 C CB . ILE A 0 87 . 1.696 -1.927 6.365 1.00 49.77 87 A 1 ATOM 687 O O . ILE A 0 87 . 0.803 -3.536 8.631 1.00 49.77 87 A 1 ATOM 688 C CG1 . ILE A 0 87 . 2.748 -1.254 5.463 1.00 49.77 87 A 1 ATOM 689 C CG2 . ILE A 0 87 . 0.282 -1.468 5.961 1.00 49.77 87 A 1 ATOM 690 C CD1 . ILE A 0 87 . 3.023 -2.137 4.248 1.00 49.77 87 A 1 ATOM 691 N N . GLN A 0 88 . 0.572 -1.642 9.805 1.00 47.02 88 A 1 ATOM 692 C CA . GLN A 0 88 . -0.498 -2.172 10.632 1.00 47.02 88 A 1 ATOM 693 C C . GLN A 0 88 . -1.794 -2.094 9.827 1.00 47.02 88 A 1 ATOM 694 C CB . GLN A 0 88 . -0.574 -1.435 11.974 1.00 47.02 88 A 1 ATOM 695 O O . GLN A 0 88 . -2.398 -1.034 9.678 1.00 47.02 88 A 1 ATOM 696 C CG . GLN A 0 88 . 0.546 -1.892 12.926 1.00 47.02 88 A 1 ATOM 697 C CD . GLN A 0 88 . 0.447 -1.248 14.307 1.00 47.02 88 A 1 ATOM 698 N NE2 . GLN A 0 88 . 1.270 -1.643 15.253 1.00 47.02 88 A 1 ATOM 699 O OE1 . GLN A 0 88 . -0.366 -0.385 14.571 1.00 47.02 88 A 1 ATOM 700 N N . ARG A 0 89 . -2.223 -3.236 9.277 1.00 49.30 89 A 1 ATOM 701 C CA . ARG A 0 89 . -3.583 -3.384 8.759 1.00 49.30 89 A 1 ATOM 702 C C . ARG A 0 89 . -4.531 -3.348 9.951 1.00 49.30 89 A 1 ATOM 703 C CB . ARG A 0 89 . -3.740 -4.667 7.928 1.00 49.30 89 A 1 ATOM 704 O O . ARG A 0 89 . -4.748 -4.362 10.615 1.00 49.30 89 A 1 ATOM 705 C CG . ARG A 0 89 . -2.987 -4.596 6.590 1.00 49.30 89 A 1 ATOM 706 C CD . ARG A 0 89 . -3.288 -5.847 5.755 1.00 49.30 89 A 1 ATOM 707 N NE . ARG A 0 89 . -2.499 -5.893 4.510 1.00 49.30 89 A 1 ATOM 708 N NH1 . ARG A 0 89 . -3.248 -7.930 3.741 1.00 49.30 89 A 1 ATOM 709 N NH2 . ARG A 0 89 . -1.715 -6.809 2.590 1.00 49.30 89 A 1 ATOM 710 C CZ . ARG A 0 89 . -2.497 -6.870 3.620 1.00 49.30 89 A 1 ATOM 711 N N . PHE A 0 90 . -5.071 -2.169 10.241 1.00 52.25 90 A 1 ATOM 712 C CA . PHE A 0 90 . -6.158 -2.040 11.197 1.00 52.25 90 A 1 ATOM 713 C C . PHE A 0 90 . -7.387 -2.714 10.600 1.00 52.25 90 A 1 ATOM 714 C CB . PHE A 0 90 . -6.393 -0.574 11.568 1.00 52.25 90 A 1 ATOM 715 O O . PHE A 0 90 . -8.020 -2.206 9.678 1.00 52.25 90 A 1 ATOM 716 C CG . PHE A 0 90 . -5.374 -0.070 12.568 1.00 52.25 90 A 1 ATOM 717 C CD1 . PHE A 0 90 . -5.553 -0.338 13.939 1.00 52.25 90 A 1 ATOM 718 C CD2 . PHE A 0 90 . -4.228 0.621 12.135 1.00 52.25 90 A 1 ATOM 719 C CE1 . PHE A 0 90 . -4.599 0.096 14.875 1.00 52.25 90 A 1 ATOM 720 C CE2 . PHE A 0 90 . -3.271 1.049 13.072 1.00 52.25 90 A 1 ATOM 721 C CZ . PHE A 0 90 . -3.456 0.788 14.440 1.00 52.25 90 A 1 ATOM 722 N N . ASN A 0 91 . -7.696 -3.909 11.100 1.00 59.89 91 A 1 ATOM 723 C CA . ASN A 0 91 . -8.957 -4.557 10.791 1.00 59.89 91 A 1 ATOM 724 C C . ASN A 0 91 . -10.062 -3.681 11.394 1.00 59.89 91 A 1 ATOM 725 C CB . ASN A 0 91 . -8.922 -6.001 11.325 1.00 59.89 91 A 1 ATOM 726 O O . ASN A 0 91 . -10.151 -3.580 12.620 1.00 59.89 91 A 1 ATOM 727 C CG . ASN A 0 91 . -10.159 -6.797 10.950 1.00 59.89 91 A 1 ATOM 728 N ND2 . ASN A 0 91 . -10.151 -8.091 11.165 1.00 59.89 91 A 1 ATOM 729 O OD1 . ASN A 0 91 . -11.147 -6.272 10.471 1.00 59.89 91 A 1 ATOM 730 N N . GLY A 0 92 . -10.864 -3.028 10.547 1.00 65.25 92 A 1 ATOM 731 C CA . GLY A 0 92 . -11.903 -2.090 10.981 1.00 65.25 92 A 1 ATOM 732 C C . GLY A 0 92 . -12.829 -2.690 12.038 1.00 65.25 92 A 1 ATOM 733 O O . GLY A 0 92 . -13.203 -2.005 12.983 1.00 65.25 92 A 1 ATOM 734 N N . ASN A 0 93 . -13.077 -4.001 11.969 1.00 73.07 93 A 1 ATOM 735 C CA . ASN A 0 93 . -13.869 -4.712 12.967 1.00 73.07 93 A 1 ATOM 736 C C . ASN A 0 93 . -13.195 -4.753 14.348 1.00 73.07 93 A 1 ATOM 737 C CB . ASN A 0 93 . -14.170 -6.134 12.439 1.00 73.07 93 A 1 ATOM 738 O O . ASN A 0 93 . -13.853 -4.548 15.363 1.00 73.07 93 A 1 ATOM 739 C CG . ASN A 0 93 . -15.655 -6.446 12.400 1.00 73.07 93 A 1 ATOM 740 N ND2 . ASN A 0 93 . -16.022 -7.701 12.298 1.00 73.07 93 A 1 ATOM 741 O OD1 . ASN A 0 93 . -16.506 -5.581 12.433 1.00 73.07 93 A 1 ATOM 742 N N . LYS A 0 94 . -11.873 -4.974 14.404 1.00 72.86 94 A 1 ATOM 743 C CA . LYS A 0 94 . -11.122 -4.908 15.670 1.00 72.86 94 A 1 ATOM 744 C C . LYS A 0 94 . -11.140 -3.498 16.246 1.00 72.86 94 A 1 ATOM 745 C CB . LYS A 0 94 . -9.665 -5.378 15.510 1.00 72.86 94 A 1 ATOM 746 O O . LYS A 0 94 . -11.297 -3.357 17.451 1.00 72.86 94 A 1 ATOM 747 C CG . LYS A 0 94 . -9.486 -6.860 15.858 1.00 72.86 94 A 1 ATOM 748 C CD . LYS A 0 94 . -7.996 -7.238 15.881 1.00 72.86 94 A 1 ATOM 749 C CE . LYS A 0 94 . -7.828 -8.672 16.399 1.00 72.86 94 A 1 ATOM 750 N NZ . LYS A 0 94 . -6.400 -9.065 16.511 1.00 72.86 94 A 1 ATOM 751 N N . LEU A 0 95 . -10.988 -2.477 15.401 1.00 80.46 95 A 1 ATOM 752 C CA . LEU A 0 95 . -11.013 -1.083 15.845 1.00 80.46 95 A 1 ATOM 753 C C . LEU A 0 95 . -12.391 -0.704 16.414 1.00 80.46 95 A 1 ATOM 754 C CB . LEU A 0 95 . -10.613 -0.168 14.674 1.00 80.46 95 A 1 ATOM 755 O O . LEU A 0 95 . -12.466 -0.075 17.464 1.00 80.46 95 A 1 ATOM 756 C CG . LEU A 0 95 . -10.024 1.170 15.170 1.00 80.46 95 A 1 ATOM 757 C CD1 . LEU A 0 95 . -8.512 1.199 14.936 1.00 80.46 95 A 1 ATOM 758 C CD2 . LEU A 0 95 . -10.648 2.359 14.446 1.00 80.46 95 A 1 ATOM 759 N N . LEU A 0 96 . -13.469 -1.153 15.762 1.00 82.55 96 A 1 ATOM 760 C CA . LEU A 0 96 . -14.846 -0.947 16.214 1.00 82.55 96 A 1 ATOM 761 C C . LEU A 0 96 . -15.096 -1.585 17.589 1.00 82.55 96 A 1 ATOM 762 C CB . LEU A 0 96 . -15.802 -1.533 15.160 1.00 82.55 96 A 1 ATOM 763 O O . LEU A 0 96 . -15.612 -0.928 18.489 1.00 82.55 96 A 1 ATOM 764 C CG . LEU A 0 96 . -17.251 -1.041 15.351 1.00 82.55 96 A 1 ATOM 765 C CD1 . LEU A 0 96 . -17.571 0.065 14.344 1.00 82.55 96 A 1 ATOM 766 C CD2 . LEU A 0 96 . -18.244 -2.184 15.160 1.00 82.55 96 A 1 ATOM 767 N N . TRP A 0 97 . -14.677 -2.840 17.774 1.00 87.70 97 A 1 ATOM 768 C CA . TRP A 0 97 . -14.774 -3.522 19.068 1.00 87.70 97 A 1 ATOM 769 C C . TRP A 0 97 . -13.983 -2.809 20.163 1.00 87.70 97 A 1 ATOM 770 C CB . TRP A 0 97 . -14.304 -4.974 18.923 1.00 87.70 97 A 1 ATOM 771 O O . TRP A 0 97 . -14.467 -2.671 21.283 1.00 87.70 97 A 1 ATOM 772 C CG . TRP A 0 97 . -15.404 -5.917 18.566 1.00 87.70 97 A 1 ATOM 773 C CD1 . TRP A 0 97 . -15.633 -6.480 17.359 1.00 87.70 97 A 1 ATOM 774 C CD2 . TRP A 0 97 . -16.479 -6.379 19.436 1.00 87.70 97 A 1 ATOM 775 C CE2 . TRP A 0 97 . -17.328 -7.242 18.682 1.00 87.70 97 A 1 ATOM 776 C CE3 . TRP A 0 97 . -16.827 -6.140 20.783 1.00 87.70 97 A 1 ATOM 777 N NE1 . TRP A 0 97 . -16.767 -7.267 17.424 1.00 87.70 97 A 1 ATOM 778 C CH2 . TRP A 0 97 . -18.778 -7.599 20.582 1.00 87.70 97 A 1 ATOM 779 C CZ2 . TRP A 0 97 . -18.462 -7.850 19.236 1.00 87.70 97 A 1 ATOM 780 C CZ3 . TRP A 0 97 . -17.965 -6.745 21.350 1.00 87.70 97 A 1 ATOM 781 N N . LEU A 0 98 . -12.786 -2.317 19.839 1.00 88.47 98 A 1 ATOM 782 C CA . LEU A 0 98 . -11.934 -1.613 20.793 1.00 88.47 98 A 1 ATOM 783 C C . LEU A 0 98 . -12.569 -0.282 21.236 1.00 88.47 98 A 1 ATOM 784 C CB . LEU A 0 98 . -10.536 -1.479 20.158 1.00 88.47 98 A 1 ATOM 785 O O . LEU A 0 98 . -12.538 0.041 22.421 1.00 88.47 98 A 1 ATOM 786 C CG . LEU A 0 98 . -9.377 -1.485 21.171 1.00 88.47 98 A 1 ATOM 787 C CD1 . LEU A 0 98 . -8.177 -2.233 20.584 1.00 88.47 98 A 1 ATOM 788 C CD2 . LEU A 0 98 . -8.929 -0.071 21.524 1.00 88.47 98 A 1 ATOM 789 N N . LEU A 0 99 . -13.223 0.438 20.317 1.00 89.88 99 A 1 ATOM 790 C CA . LEU A 0 99 . -13.995 1.650 20.622 1.00 89.88 99 A 1 ATOM 791 C C . LEU A 0 99 . -15.244 1.361 21.469 1.00 89.88 99 A 1 ATOM 792 C CB . LEU A 0 99 . -14.387 2.347 19.306 1.00 89.88 99 A 1 ATOM 793 O O . LEU A 0 99 . -15.530 2.111 22.400 1.00 89.88 99 A 1 ATOM 794 C CG . LEU A 0 99 . -13.225 3.083 18.617 1.00 89.88 99 A 1 ATOM 795 C CD1 . LEU A 0 99 . -13.617 3.441 17.183 1.00 89.88 99 A 1 ATOM 796 C CD2 . LEU A 0 99 . -12.862 4.377 19.351 1.00 89.88 99 A 1 ATOM 797 N N . LEU A 0 100 . -15.968 0.272 21.189 1.00 92.10 100 A 1 ATOM 798 C CA . LEU A 0 100 . -17.129 -0.145 21.986 1.00 92.10 100 A 1 ATOM 799 C C . LEU A 0 100 . -16.738 -0.482 23.429 1.00 92.10 100 A 1 ATOM 800 C CB . LEU A 0 100 . -17.807 -1.355 21.317 1.00 92.10 100 A 1 ATOM 801 O O . LEU A 0 100 . -17.400 -0.033 24.362 1.00 92.10 100 A 1 ATOM 802 C CG . LEU A 0 100 . -18.764 -0.967 20.179 1.00 92.10 100 A 1 ATOM 803 C CD1 . LEU A 0 100 . -19.058 -2.188 19.308 1.00 92.10 100 A 1 ATOM 804 C CD2 . LEU A 0 100 . -20.092 -0.438 20.730 1.00 92.10 100 A 1 ATOM 805 N N . ILE A 0 101 . -15.641 -1.221 23.614 1.00 93.84 101 A 1 ATOM 806 C CA . ILE A 0 101 . -15.119 -1.567 24.944 1.00 93.84 101 A 1 ATOM 807 C C . ILE A 0 101 . -14.713 -0.304 25.712 1.00 93.84 101 A 1 ATOM 808 C CB . ILE A 0 101 . -13.951 -2.571 24.810 1.00 93.84 101 A 1 ATOM 809 O O . ILE A 0 101 . -15.062 -0.165 26.883 1.00 93.84 101 A 1 ATOM 810 C CG1 . ILE A 0 101 . -14.479 -3.939 24.316 1.00 93.84 101 A 1 ATOM 811 C CG2 . ILE A 0 101 . -13.211 -2.751 26.149 1.00 93.84 101 A 1 ATOM 812 C CD1 . ILE A 0 101 . -13.375 -4.880 23.816 1.00 93.84 101 A 1 ATOM 813 N N . LEU A 0 102 . -14.025 0.637 25.056 1.00 93.37 102 A 1 ATOM 814 C CA . LEU A 0 102 . -13.653 1.926 25.651 1.00 93.37 102 A 1 ATOM 815 C C . LEU A 0 102 . -14.876 2.730 26.105 1.00 93.37 102 A 1 ATOM 816 C CB . LEU A 0 102 . -12.815 2.727 24.634 1.00 93.37 102 A 1 ATOM 817 O O . LEU A 0 102 . -14.876 3.275 27.206 1.00 93.37 102 A 1 ATOM 818 C CG . LEU A 0 102 . -11.325 2.758 25.007 1.00 93.37 102 A 1 ATOM 819 C CD1 . LEU A 0 102 . -10.466 2.964 23.764 1.00 93.37 102 A 1 ATOM 820 C CD2 . LEU A 0 102 . -11.037 3.900 25.984 1.00 93.37 102 A 1 ATOM 821 N N . ASN A 0 103 . -15.929 2.771 25.288 1.00 92.05 103 A 1 ATOM 822 C CA . ASN A 0 103 . -17.162 3.482 25.620 1.00 92.05 103 A 1 ATOM 823 C C . ASN A 0 103 . -17.905 2.816 26.796 1.00 92.05 103 A 1 ATOM 824 C CB . ASN A 0 103 . -18.005 3.571 24.335 1.00 92.05 103 A 1 ATOM 825 O O . ASN A 0 103 . -18.394 3.491 27.699 1.00 92.05 103 A 1 ATOM 826 C CG . ASN A 0 103 . -18.981 4.732 24.339 1.00 92.05 103 A 1 ATOM 827 N ND2 . ASN A 0 103 . -19.454 5.130 23.181 1.00 92.05 103 A 1 ATOM 828 O OD1 . ASN A 0 103 . -19.321 5.317 25.348 1.00 92.05 103 A 1 ATOM 829 N N . PHE A 0 104 . -17.914 1.482 26.846 1.00 92.61 104 A 1 ATOM 830 C CA . PHE A 0 104 . -18.504 0.736 27.959 1.00 92.61 104 A 1 ATOM 831 C C . PHE A 0 104 . -17.745 0.956 29.278 1.00 92.61 104 A 1 ATOM 832 C CB . PHE A 0 104 . -18.570 -0.748 27.584 1.00 92.61 104 A 1 ATOM 833 O O . PHE A 0 104 . -18.364 1.185 30.315 1.00 92.61 104 A 1 ATOM 834 C CG . PHE A 0 104 . -19.575 -1.519 28.412 1.00 92.61 104 A 1 ATOM 835 C CD1 . PHE A 0 104 . -19.184 -2.164 29.599 1.00 92.61 104 A 1 ATOM 836 C CD2 . PHE A 0 104 . -20.919 -1.571 27.997 1.00 92.61 104 A 1 ATOM 837 C CE1 . PHE A 0 104 . -20.135 -2.862 30.366 1.00 92.61 104 A 1 ATOM 838 C CE2 . PHE A 0 104 . -21.868 -2.269 28.763 1.00 92.61 104 A 1 ATOM 839 C CZ . PHE A 0 104 . -21.476 -2.913 29.949 1.00 92.61 104 A 1 ATOM 840 N N . LEU A 0 105 . -16.407 0.947 29.238 1.00 94.50 105 A 1 ATOM 841 C CA . LEU A 0 105 . -15.559 1.284 30.388 1.00 94.50 105 A 1 ATOM 842 C C . LEU A 0 105 . -15.799 2.717 30.869 1.00 94.50 105 A 1 ATOM 843 C CB . LEU A 0 105 . -14.079 1.097 30.005 1.00 94.50 105 A 1 ATOM 844 O O . LEU A 0 105 . -15.911 2.945 32.071 1.00 94.50 105 A 1 ATOM 845 C CG . LEU A 0 105 . -13.589 -0.349 30.164 1.00 94.50 105 A 1 ATOM 846 C CD1 . LEU A 0 105 . -12.297 -0.552 29.372 1.00 94.50 105 A 1 ATOM 847 C CD2 . LEU A 0 105 . -13.304 -0.677 31.633 1.00 94.50 105 A 1 ATOM 848 N N . TYR A 0 106 . -15.923 3.667 29.941 1.00 93.63 106 A 1 ATOM 849 C CA . TYR A 0 106 . -16.230 5.055 30.269 1.00 93.63 106 A 1 ATOM 850 C C . TYR A 0 106 . -17.582 5.188 30.984 1.00 93.63 106 A 1 ATOM 851 C CB . TYR A 0 106 . -16.184 5.895 28.989 1.00 93.63 106 A 1 ATOM 852 O O . TYR A 0 106 . -17.660 5.837 32.023 1.00 93.63 106 A 1 ATOM 853 C CG . TYR A 0 106 . -16.487 7.356 29.235 1.00 93.63 106 A 1 ATOM 854 C CD1 . TYR A 0 106 . -17.783 7.856 29.006 1.00 93.63 106 A 1 ATOM 855 C CD2 . TYR A 0 106 . -15.481 8.199 29.743 1.00 93.63 106 A 1 ATOM 856 C CE1 . TYR A 0 106 . -18.072 9.206 29.281 1.00 93.63 106 A 1 ATOM 857 C CE2 . TYR A 0 106 . -15.767 9.549 30.021 1.00 93.63 106 A 1 ATOM 858 O OH . TYR A 0 106 . -17.350 11.355 30.050 1.00 93.63 106 A 1 ATOM 859 C CZ . TYR A 0 106 . -17.066 10.053 29.789 1.00 93.63 106 A 1 ATOM 860 N N . LEU A 0 107 . -18.629 4.520 30.488 1.00 90.40 107 A 1 ATOM 861 C CA . LEU A 0 107 . -19.950 4.502 31.129 1.00 90.40 107 A 1 ATOM 862 C C . LEU A 0 107 . -19.930 3.866 32.526 1.00 90.40 107 A 1 ATOM 863 C CB . LEU A 0 107 . -20.934 3.745 30.220 1.00 90.40 107 A 1 ATOM 864 O O . LEU A 0 107 . -20.630 4.341 33.417 1.00 90.40 107 A 1 ATOM 865 C CG . LEU A 0 107 . -21.481 4.603 29.068 1.00 90.40 107 A 1 ATOM 866 C CD1 . LEU A 0 107 . -22.084 3.698 27.993 1.00 90.40 107 A 1 ATOM 867 C CD2 . LEU A 0 107 . -22.578 5.552 29.562 1.00 90.40 107 A 1 ATOM 868 N N . LEU A 0 108 . -19.139 2.808 32.722 1.00 90.95 108 A 1 ATOM 869 C CA . LEU A 0 108 . -18.963 2.155 34.023 1.00 90.95 108 A 1 ATOM 870 C C . LEU A 0 108 . -18.299 3.082 35.041 1.00 90.95 108 A 1 ATOM 871 C CB . LEU A 0 108 . -18.125 0.875 33.835 1.00 90.95 108 A 1 ATOM 872 O O . LEU A 0 108 . -18.786 3.201 36.162 1.00 90.95 108 A 1 ATOM 873 C CG . LEU A 0 108 . -18.982 -0.396 33.811 1.00 90.95 108 A 1 ATOM 874 C CD1 . LEU A 0 108 . -18.209 -1.525 33.134 1.00 90.95 108 A 1 ATOM 875 C CD2 . LEU A 0 108 . -19.338 -0.843 35.232 1.00 90.95 108 A 1 ATOM 876 N N . ILE A 0 109 . -17.210 3.741 34.640 1.00 91.52 109 A 1 ATOM 877 C CA . ILE A 0 109 . -16.458 4.648 35.512 1.00 91.52 109 A 1 ATOM 878 C C . ILE A 0 109 . -17.260 5.919 35.783 1.00 91.52 109 A 1 ATOM 879 C CB . ILE A 0 109 . -15.070 4.956 34.910 1.00 91.52 109 A 1 ATOM 880 O O . ILE A 0 109 . -17.282 6.377 36.910 1.00 91.52 109 A 1 ATOM 881 C CG1 . ILE A 0 109 . -14.215 3.668 34.844 1.00 91.52 109 A 1 ATOM 882 C CG2 . ILE A 0 109 . -14.333 6.026 35.739 1.00 91.52 109 A 1 ATOM 883 C CD1 . ILE A 0 109 . -12.976 3.801 33.951 1.00 91.52 109 A 1 ATOM 884 N N . SER A 0 110 . -17.974 6.462 34.794 1.00 84.10 110 A 1 ATOM 885 C CA . SER A 0 110 . -18.775 7.682 34.968 1.00 84.10 110 A 1 ATOM 886 C C . SER A 0 110 . -19.985 7.505 35.896 1.00 84.10 110 A 1 ATOM 887 C CB . SER A 0 110 . -19.249 8.175 33.599 1.00 84.10 110 A 1 ATOM 888 O O . SER A 0 110 . -20.641 8.493 36.226 1.00 84.10 110 A 1 ATOM 889 O OG . SER A 0 110 . -19.867 9.440 33.723 1.00 84.10 110 A 1 ATOM 890 N N . ARG A 0 111 . -20.332 6.263 36.257 1.00 72.41 111 A 1 ATOM 891 C CA . ARG A 0 111 . -21.403 5.945 37.211 1.00 72.41 111 A 1 ATOM 892 C C . ARG A 0 111 . -20.900 5.770 38.650 1.00 72.41 111 A 1 ATOM 893 C CB . ARG A 0 111 . -22.164 4.699 36.726 1.00 72.41 111 A 1 ATOM 894 O O . ARG A 0 111 . -21.743 5.673 39.540 1.00 72.41 111 A 1 ATOM 895 C CG . ARG A 0 111 . -23.669 4.970 36.639 1.00 72.41 111 A 1 ATOM 896 C CD . ARG A 0 111 . -24.397 3.687 36.236 1.00 72.41 111 A 1 ATOM 897 N NE . ARG A 0 111 . -25.833 3.930 36.001 1.00 72.41 111 A 1 ATOM 898 N NH1 . ARG A 0 111 . -26.429 1.752 35.610 1.00 72.41 111 A 1 ATOM 899 N NH2 . ARG A 0 111 . -27.975 3.358 35.469 1.00 72.41 111 A 1 ATOM 900 C CZ . ARG A 0 111 . -26.737 3.017 35.695 1.00 72.41 111 A 1 ATOM 901 N N . TYR A 0 112 . -19.583 5.692 38.842 1.00 56.02 112 A 1 ATOM 902 C CA . TYR A 0 112 . -18.893 5.672 40.135 1.00 56.02 112 A 1 ATOM 903 C C . TYR A 0 112 . -18.344 7.061 40.466 1.00 56.02 112 A 1 ATOM 904 C CB . TYR A 0 112 . -17.775 4.616 40.107 1.00 56.02 112 A 1 ATOM 905 O O . TYR A 0 112 . -18.267 7.360 41.676 1.00 56.02 112 A 1 ATOM 906 C CG . TYR A 0 112 . -18.162 3.308 40.762 1.00 56.02 112 A 1 ATOM 907 C CD1 . TYR A 0 112 . -18.040 3.181 42.158 1.00 56.02 112 A 1 ATOM 908 C CD2 . TYR A 0 112 . -18.652 2.236 39.994 1.00 56.02 112 A 1 ATOM 909 C CE1 . TYR A 0 112 . -18.393 1.976 42.794 1.00 56.02 112 A 1 ATOM 910 C CE2 . TYR A 0 112 . -19.009 1.026 40.625 1.00 56.02 112 A 1 ATOM 911 O OH . TYR A 0 112 . -19.226 -0.266 42.634 1.00 56.02 112 A 1 ATOM 912 C CZ . TYR A 0 112 . -18.878 0.897 42.024 1.00 56.02 112 A 1 ATOM 913 O OXT . TYR A 0 112 . -18.008 7.785 39.505 1.00 56.02 112 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 52.50 # loop_ _atom_type.symbol C N O S #