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 ASP 0 3 GLU 0 4 VAL 0 5 ASN 0 6 SER 0 7 HIS 0 8 VAL 0 9 LEU 0 10 TYR 0 11 LEU 0 12 PRO 0 13 PRO 0 14 ASP 0 15 ASN 0 16 VAL 0 17 THR 0 18 ASN 0 19 PHE 0 20 TRP 0 21 PHE 0 22 TYR 0 23 ALA 0 24 VAL 0 25 LEU 0 26 VAL 0 27 ALA 0 28 MET 0 29 ILE 0 30 ILE 0 31 PHE 0 32 SER 0 33 TYR 0 34 PHE 0 35 VAL 0 36 ALA 0 37 ARG 0 38 GLY 0 39 ILE 0 40 ARG 0 41 GLU 0 42 ILE 0 43 TYR 0 44 PHE 0 45 GLU 0 46 THR 0 47 ILE 0 48 THR 0 49 PRO 0 50 ASN 0 51 LEU 0 52 CYS 0 53 ARG 0 54 VAL 0 55 HIS 0 56 GLN 0 57 SER 0 58 HIS 0 59 LYS 0 60 PRO 0 61 THR 0 62 SER 0 63 TYR 0 64 GLY 0 65 SER 0 66 ASP 0 67 GLU 0 68 ASN 0 69 GLY 0 70 THR 0 71 ARG 0 72 THR 0 73 GLY 0 74 PRO 0 75 HIS 0 76 SER # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 0 1 . 51.520 1.326 -13.317 1.00 45.92 1 A 1 ATOM 2 C CA . MET A 0 1 . 50.879 0.259 -12.528 1.00 45.92 1 A 1 ATOM 3 C C . MET A 0 1 . 49.966 0.956 -11.539 1.00 45.92 1 A 1 ATOM 4 C CB . MET A 0 1 . 51.929 -0.592 -11.775 1.00 45.92 1 A 1 ATOM 5 O O . MET A 0 1 . 50.349 1.066 -10.395 1.00 45.92 1 A 1 ATOM 6 C CG . MET A 0 1 . 52.731 -1.566 -12.638 1.00 45.92 1 A 1 ATOM 7 S SD . MET A 0 1 . 51.807 -3.043 -13.119 1.00 45.92 1 A 1 ATOM 8 C CE . MET A 0 1 . 53.172 -4.107 -13.660 1.00 45.92 1 A 1 ATOM 9 N N . ASP A 0 2 . 48.829 1.485 -11.994 1.00 58.76 2 A 1 ATOM 10 C CA . ASP A 0 2 . 47.792 2.061 -11.123 1.00 58.76 2 A 1 ATOM 11 C C . ASP A 0 2 . 46.456 1.873 -11.847 1.00 58.76 2 A 1 ATOM 12 C CB . ASP A 0 2 . 48.066 3.533 -10.777 1.00 58.76 2 A 1 ATOM 13 O O . ASP A 0 2 . 45.941 2.753 -12.535 1.00 58.76 2 A 1 ATOM 14 C CG . ASP A 0 2 . 49.239 3.688 -9.807 1.00 58.76 2 A 1 ATOM 15 O OD1 . ASP A 0 2 . 49.142 3.133 -8.691 1.00 58.76 2 A 1 ATOM 16 O OD2 . ASP A 0 2 . 50.230 4.333 -10.220 1.00 58.76 2 A 1 ATOM 17 N N . GLU A 0 3 . 45.967 0.637 -11.804 1.00 61.80 3 A 1 ATOM 18 C CA . GLU A 0 3 . 44.677 0.245 -12.357 1.00 61.80 3 A 1 ATOM 19 C C . GLU A 0 3 . 43.604 0.725 -11.373 1.00 61.80 3 A 1 ATOM 20 C CB . GLU A 0 3 . 44.704 -1.270 -12.625 1.00 61.80 3 A 1 ATOM 21 O O . GLU A 0 3 . 43.247 0.049 -10.408 1.00 61.80 3 A 1 ATOM 22 C CG . GLU A 0 3 . 43.687 -1.722 -13.683 1.00 61.80 3 A 1 ATOM 23 C CD . GLU A 0 3 . 43.833 -3.211 -14.054 1.00 61.80 3 A 1 ATOM 24 O OE1 . GLU A 0 3 . 42.971 -3.692 -14.822 1.00 61.80 3 A 1 ATOM 25 O OE2 . GLU A 0 3 . 44.810 -3.851 -13.599 1.00 61.80 3 A 1 ATOM 26 N N . VAL A 0 4 . 43.178 1.978 -11.554 1.00 64.43 4 A 1 ATOM 27 C CA . VAL A 0 4 . 42.115 2.598 -10.762 1.00 64.43 4 A 1 ATOM 28 C C . VAL A 0 4 . 40.828 1.843 -11.069 1.00 64.43 4 A 1 ATOM 29 C CB . VAL A 0 4 . 41.984 4.110 -11.039 1.00 64.43 4 A 1 ATOM 30 O O . VAL A 0 4 . 40.180 2.064 -12.094 1.00 64.43 4 A 1 ATOM 31 C CG1 . VAL A 0 4 . 40.976 4.755 -10.076 1.00 64.43 4 A 1 ATOM 32 C CG2 . VAL A 0 4 . 43.328 4.829 -10.858 1.00 64.43 4 A 1 ATOM 33 N N . ASN A 0 5 . 40.505 0.910 -10.175 1.00 61.14 5 A 1 ATOM 34 C CA . ASN A 0 5 . 39.306 0.089 -10.167 1.00 61.14 5 A 1 ATOM 35 C C . ASN A 0 5 . 38.084 1.013 -10.074 1.00 61.14 5 A 1 ATOM 36 C CB . ASN A 0 5 . 39.449 -0.924 -9.015 1.00 61.14 5 A 1 ATOM 37 O O . ASN A 0 5 . 37.608 1.386 -9.001 1.00 61.14 5 A 1 ATOM 38 C CG . ASN A 0 5 . 38.671 -2.203 -9.243 1.00 61.14 5 A 1 ATOM 39 N ND2 . ASN A 0 5 . 39.098 -3.283 -8.631 1.00 61.14 5 A 1 ATOM 40 O OD1 . ASN A 0 5 . 37.703 -2.266 -9.977 1.00 61.14 5 A 1 ATOM 41 N N . SER A 0 6 . 37.654 1.477 -11.241 1.00 60.98 6 A 1 ATOM 42 C CA . SER A 0 6 . 36.542 2.390 -11.416 1.00 60.98 6 A 1 ATOM 43 C C . SER A 0 6 . 35.285 1.557 -11.251 1.00 60.98 6 A 1 ATOM 44 C CB . SER A 0 6 . 36.618 3.056 -12.796 1.00 60.98 6 A 1 ATOM 45 O O . SER A 0 6 . 34.738 1.047 -12.227 1.00 60.98 6 A 1 ATOM 46 O OG . SER A 0 6 . 37.866 3.698 -12.979 1.00 60.98 6 A 1 ATOM 47 N N . HIS A 0 7 . 34.839 1.375 -10.008 1.00 64.06 7 A 1 ATOM 48 C CA . HIS A 0 7 . 33.471 0.962 -9.727 1.00 64.06 7 A 1 ATOM 49 C C . HIS A 0 7 . 32.544 2.053 -10.276 1.00 64.06 7 A 1 ATOM 50 C CB . HIS A 0 7 . 33.276 0.712 -8.223 1.00 64.06 7 A 1 ATOM 51 O O . HIS A 0 7 . 32.138 2.972 -9.567 1.00 64.06 7 A 1 ATOM 52 C CG . HIS A 0 7 . 33.607 -0.696 -7.799 1.00 64.06 7 A 1 ATOM 53 C CD2 . HIS A 0 7 . 34.811 -1.168 -7.347 1.00 64.06 7 A 1 ATOM 54 N ND1 . HIS A 0 7 . 32.722 -1.751 -7.769 1.00 64.06 7 A 1 ATOM 55 C CE1 . HIS A 0 7 . 33.374 -2.829 -7.303 1.00 64.06 7 A 1 ATOM 56 N NE2 . HIS A 0 7 . 34.647 -2.520 -7.022 1.00 64.06 7 A 1 ATOM 57 N N . VAL A 0 8 . 32.266 1.982 -11.580 1.00 63.16 8 A 1 ATOM 58 C CA . VAL A 0 8 . 31.268 2.795 -12.263 1.00 63.16 8 A 1 ATOM 59 C C . VAL A 0 8 . 29.933 2.377 -11.674 1.00 63.16 8 A 1 ATOM 60 C CB . VAL A 0 8 . 31.329 2.615 -13.794 1.00 63.16 8 A 1 ATOM 61 O O . VAL A 0 8 . 29.348 1.359 -12.043 1.00 63.16 8 A 1 ATOM 62 C CG1 . VAL A 0 8 . 30.228 3.419 -14.500 1.00 63.16 8 A 1 ATOM 63 C CG2 . VAL A 0 8 . 32.677 3.101 -14.347 1.00 63.16 8 A 1 ATOM 64 N N . LEU A 0 9 . 29.502 3.140 -10.677 1.00 67.83 9 A 1 ATOM 65 C CA . LEU A 0 9 . 28.184 3.051 -10.081 1.00 67.83 9 A 1 ATOM 66 C C . LEU A 0 9 . 27.201 3.420 -11.194 1.00 67.83 9 A 1 ATOM 67 C CB . LEU A 0 9 . 28.156 3.976 -8.842 1.00 67.83 9 A 1 ATOM 68 O O . LEU A 0 9 . 27.024 4.590 -11.528 1.00 67.83 9 A 1 ATOM 69 C CG . LEU A 0 9 . 27.385 3.396 -7.638 1.00 67.83 9 A 1 ATOM 70 C CD1 . LEU A 0 9 . 28.202 3.556 -6.355 1.00 67.83 9 A 1 ATOM 71 C CD2 . LEU A 0 9 . 26.040 4.086 -7.428 1.00 67.83 9 A 1 ATOM 72 N N . TYR A 0 10 . 26.659 2.400 -11.853 1.00 64.81 10 A 1 ATOM 73 C CA . TYR A 0 10 . 25.688 2.564 -12.923 1.00 64.81 10 A 1 ATOM 74 C C . TYR A 0 10 . 24.389 3.079 -12.299 1.00 64.81 10 A 1 ATOM 75 C CB . TYR A 0 10 . 25.531 1.228 -13.669 1.00 64.81 10 A 1 ATOM 76 O O . TYR A 0 10 . 23.575 2.296 -11.809 1.00 64.81 10 A 1 ATOM 77 C CG . TYR A 0 10 . 24.775 1.327 -14.982 1.00 64.81 10 A 1 ATOM 78 C CD1 . TYR A 0 10 . 23.375 1.172 -15.015 1.00 64.81 10 A 1 ATOM 79 C CD2 . TYR A 0 10 . 25.483 1.563 -16.177 1.00 64.81 10 A 1 ATOM 80 C CE1 . TYR A 0 10 . 22.686 1.246 -16.241 1.00 64.81 10 A 1 ATOM 81 C CE2 . TYR A 0 10 . 24.798 1.640 -17.404 1.00 64.81 10 A 1 ATOM 82 O OH . TYR A 0 10 . 22.730 1.549 -18.620 1.00 64.81 10 A 1 ATOM 83 C CZ . TYR A 0 10 . 23.396 1.480 -17.437 1.00 64.81 10 A 1 ATOM 84 N N . LEU A 0 11 . 24.217 4.402 -12.259 1.00 65.12 11 A 1 ATOM 85 C CA . LEU A 0 11 . 22.909 4.993 -12.006 1.00 65.12 11 A 1 ATOM 86 C C . LEU A 0 11 . 22.083 4.802 -13.283 1.00 65.12 11 A 1 ATOM 87 C CB . LEU A 0 11 . 22.993 6.480 -11.605 1.00 65.12 11 A 1 ATOM 88 O O . LEU A 0 11 . 22.506 5.281 -14.341 1.00 65.12 11 A 1 ATOM 89 C CG . LEU A 0 11 . 22.953 6.699 -10.083 1.00 65.12 11 A 1 ATOM 90 C CD1 . LEU A 0 11 . 24.279 6.323 -9.428 1.00 65.12 11 A 1 ATOM 91 C CD2 . LEU A 0 11 . 22.653 8.159 -9.753 1.00 65.12 11 A 1 ATOM 92 N N . PRO A 0 12 . 20.940 4.095 -13.227 1.00 71.12 12 A 1 ATOM 93 C CA . PRO A 0 12 . 20.027 4.084 -14.356 1.00 71.12 12 A 1 ATOM 94 C C . PRO A 0 12 . 19.634 5.537 -14.650 1.00 71.12 12 A 1 ATOM 95 C CB . PRO A 0 12 . 18.837 3.222 -13.930 1.00 71.12 12 A 1 ATOM 96 O O . PRO A 0 12 . 19.413 6.297 -13.711 1.00 71.12 12 A 1 ATOM 97 C CG . PRO A 0 12 . 18.834 3.350 -12.407 1.00 71.12 12 A 1 ATOM 98 C CD . PRO A 0 12 . 20.311 3.507 -12.054 1.00 71.12 12 A 1 ATOM 99 N N . PRO A 0 13 . 19.589 5.956 -15.922 1.00 69.16 13 A 1 ATOM 100 C CA . PRO A 0 13 . 19.285 7.337 -16.252 1.00 69.16 13 A 1 ATOM 101 C C . PRO A 0 13 . 17.917 7.718 -15.666 1.00 69.16 13 A 1 ATOM 102 C CB . PRO A 0 13 . 19.380 7.411 -17.780 1.00 69.16 13 A 1 ATOM 103 O O . PRO A 0 13 . 16.895 7.123 -16.008 1.00 69.16 13 A 1 ATOM 104 C CG . PRO A 0 13 . 19.181 5.969 -18.248 1.00 69.16 13 A 1 ATOM 105 C CD . PRO A 0 13 . 19.781 5.150 -17.111 1.00 69.16 13 A 1 ATOM 106 N N . ASP A 0 14 . 17.908 8.727 -14.789 1.00 65.68 14 A 1 ATOM 107 C CA . ASP A 0 14 . 16.742 9.207 -14.021 1.00 65.68 14 A 1 ATOM 108 C C . ASP A 0 14 . 15.614 9.793 -14.900 1.00 65.68 14 A 1 ATOM 109 C CB . ASP A 0 14 . 17.206 10.278 -13.013 1.00 65.68 14 A 1 ATOM 110 O O . ASP A 0 14 . 14.632 10.351 -14.410 1.00 65.68 14 A 1 ATOM 111 C CG . ASP A 0 14 . 18.322 9.826 -12.066 1.00 65.68 14 A 1 ATOM 112 O OD1 . ASP A 0 14 . 18.269 8.666 -11.608 1.00 65.68 14 A 1 ATOM 113 O OD2 . ASP A 0 14 . 19.216 10.661 -11.807 1.00 65.68 14 A 1 ATOM 114 N N . ASN A 0 15 . 15.755 9.712 -16.223 1.00 63.08 15 A 1 ATOM 115 C CA . ASN A 0 15 . 14.918 10.393 -17.202 1.00 63.08 15 A 1 ATOM 116 C C . ASN A 0 15 . 13.787 9.526 -17.775 1.00 63.08 15 A 1 ATOM 117 C CB . ASN A 0 15 . 15.826 10.998 -18.285 1.00 63.08 15 A 1 ATOM 118 O O . ASN A 0 15 . 12.958 10.043 -18.524 1.00 63.08 15 A 1 ATOM 119 C CG . ASN A 0 15 . 16.522 9.972 -19.163 1.00 63.08 15 A 1 ATOM 120 N ND2 . ASN A 0 15 . 17.296 10.423 -20.121 1.00 63.08 15 A 1 ATOM 121 O OD1 . ASN A 0 15 . 16.406 8.770 -19.017 1.00 63.08 15 A 1 ATOM 122 N N . VAL A 0 16 . 13.704 8.242 -17.412 1.00 64.51 16 A 1 ATOM 123 C CA . VAL A 0 16 . 12.549 7.395 -17.738 1.00 64.51 16 A 1 ATOM 124 C C . VAL A 0 16 . 11.539 7.442 -16.596 1.00 64.51 16 A 1 ATOM 125 C CB . VAL A 0 16 . 12.942 5.975 -18.191 1.00 64.51 16 A 1 ATOM 126 O O . VAL A 0 16 . 11.435 6.541 -15.764 1.00 64.51 16 A 1 ATOM 127 C CG1 . VAL A 0 16 . 13.681 6.050 -19.535 1.00 64.51 16 A 1 ATOM 128 C CG2 . VAL A 0 16 . 13.828 5.197 -17.210 1.00 64.51 16 A 1 ATOM 129 N N . THR A 0 17 . 10.769 8.526 -16.533 1.00 67.25 17 A 1 ATOM 130 C CA . THR A 0 17 . 9.600 8.605 -15.655 1.00 67.25 17 A 1 ATOM 131 C C . THR A 0 17 . 8.591 7.530 -16.066 1.00 67.25 17 A 1 ATOM 132 C CB . THR A 0 17 . 8.971 10.011 -15.659 1.00 67.25 17 A 1 ATOM 133 O O . THR A 0 17 . 7.798 7.697 -16.991 1.00 67.25 17 A 1 ATOM 134 C CG2 . THR A 0 17 . 9.655 10.923 -14.642 1.00 67.25 17 A 1 ATOM 135 O OG1 . THR A 0 17 . 9.103 10.638 -16.914 1.00 67.25 17 A 1 ATOM 136 N N . ASN A 0 18 . 8.623 6.387 -15.375 1.00 77.55 18 A 1 ATOM 137 C CA . ASN A 0 18 . 7.681 5.292 -15.578 1.00 77.55 18 A 1 ATOM 138 C C . ASN A 0 18 . 6.289 5.741 -15.121 1.00 77.55 18 A 1 ATOM 139 C CB . ASN A 0 18 . 8.170 4.030 -14.840 1.00 77.55 18 A 1 ATOM 140 O O . ASN A 0 18 . 5.917 5.557 -13.963 1.00 77.55 18 A 1 ATOM 141 C CG . ASN A 0 18 . 9.320 3.359 -15.563 1.00 77.55 18 A 1 ATOM 142 N ND2 . ASN A 0 18 . 10.469 3.233 -14.943 1.00 77.55 18 A 1 ATOM 143 O OD1 . ASN A 0 18 . 9.188 2.936 -16.696 1.00 77.55 18 A 1 ATOM 144 N N . PHE A 0 19 . 5.507 6.327 -16.032 1.00 84.76 19 A 1 ATOM 145 C CA . PHE A 0 19 . 4.133 6.780 -15.775 1.00 84.76 19 A 1 ATOM 146 C C . PHE A 0 19 . 3.296 5.710 -15.056 1.00 84.76 19 A 1 ATOM 147 C CB . PHE A 0 19 . 3.488 7.149 -17.117 1.00 84.76 19 A 1 ATOM 148 O O . PHE A 0 19 . 2.544 6.008 -14.131 1.00 84.76 19 A 1 ATOM 149 C CG . PHE A 0 19 . 2.036 7.565 -16.994 1.00 84.76 19 A 1 ATOM 150 C CD1 . PHE A 0 19 . 1.004 6.649 -17.280 1.00 84.76 19 A 1 ATOM 151 C CD2 . PHE A 0 19 . 1.715 8.864 -16.558 1.00 84.76 19 A 1 ATOM 152 C CE1 . PHE A 0 19 . -0.340 7.031 -17.129 1.00 84.76 19 A 1 ATOM 153 C CE2 . PHE A 0 19 . 0.371 9.246 -16.409 1.00 84.76 19 A 1 ATOM 154 C CZ . PHE A 0 19 . -0.657 8.330 -16.694 1.00 84.76 19 A 1 ATOM 155 N N . TRP A 0 20 . 3.498 4.445 -15.428 1.00 89.26 20 A 1 ATOM 156 C CA . TRP A 0 20 . 2.826 3.306 -14.816 1.00 89.26 20 A 1 ATOM 157 C C . TRP A 0 20 . 3.162 3.128 -13.327 1.00 89.26 20 A 1 ATOM 158 C CB . TRP A 0 20 . 3.178 2.058 -15.623 1.00 89.26 20 A 1 ATOM 159 O O . TRP A 0 20 . 2.265 2.877 -12.527 1.00 89.26 20 A 1 ATOM 160 C CG . TRP A 0 20 . 2.324 0.883 -15.293 1.00 89.26 20 A 1 ATOM 161 C CD1 . TRP A 0 20 . 1.057 0.700 -15.725 1.00 89.26 20 A 1 ATOM 162 C CD2 . TRP A 0 20 . 2.633 -0.263 -14.443 1.00 89.26 20 A 1 ATOM 163 C CE2 . TRP A 0 20 . 1.488 -1.114 -14.414 1.00 89.26 20 A 1 ATOM 164 C CE3 . TRP A 0 20 . 3.760 -0.670 -13.695 1.00 89.26 20 A 1 ATOM 165 N NE1 . TRP A 0 20 . 0.559 -0.479 -15.209 1.00 89.26 20 A 1 ATOM 166 C CH2 . TRP A 0 20 . 2.600 -2.694 -12.961 1.00 89.26 20 A 1 ATOM 167 C CZ2 . TRP A 0 20 . 1.461 -2.313 -13.690 1.00 89.26 20 A 1 ATOM 168 C CZ3 . TRP A 0 20 . 3.743 -1.874 -12.964 1.00 89.26 20 A 1 ATOM 169 N N . PHE A 0 21 . 4.422 3.336 -12.930 1.00 88.63 21 A 1 ATOM 170 C CA . PHE A 0 21 . 4.830 3.281 -11.523 1.00 88.63 21 A 1 ATOM 171 C C . PHE A 0 21 . 4.099 4.342 -10.695 1.00 88.63 21 A 1 ATOM 172 C CB . PHE A 0 21 . 6.352 3.451 -11.419 1.00 88.63 21 A 1 ATOM 173 O O . PHE A 0 21 . 3.560 4.034 -9.634 1.00 88.63 21 A 1 ATOM 174 C CG . PHE A 0 21 . 6.854 3.546 -9.994 1.00 88.63 21 A 1 ATOM 175 C CD1 . PHE A 0 21 . 7.127 4.805 -9.422 1.00 88.63 21 A 1 ATOM 176 C CD2 . PHE A 0 21 . 7.020 2.378 -9.229 1.00 88.63 21 A 1 ATOM 177 C CE1 . PHE A 0 21 . 7.568 4.891 -8.090 1.00 88.63 21 A 1 ATOM 178 C CE2 . PHE A 0 21 . 7.463 2.465 -7.898 1.00 88.63 21 A 1 ATOM 179 C CZ . PHE A 0 21 . 7.737 3.721 -7.329 1.00 88.63 21 A 1 ATOM 180 N N . TYR A 0 22 . 4.008 5.573 -11.206 1.00 89.29 22 A 1 ATOM 181 C CA . TYR A 0 22 . 3.278 6.646 -10.529 1.00 89.29 22 A 1 ATOM 182 C C . TYR A 0 22 . 1.775 6.379 -10.464 1.00 89.29 22 A 1 ATOM 183 C CB . TYR A 0 22 . 3.550 7.987 -11.212 1.00 89.29 22 A 1 ATOM 184 O O . TYR A 0 22 . 1.167 6.620 -9.425 1.00 89.29 22 A 1 ATOM 185 C CG . TYR A 0 22 . 4.972 8.467 -11.035 1.00 89.29 22 A 1 ATOM 186 C CD1 . TYR A 0 22 . 5.389 8.964 -9.784 1.00 89.29 22 A 1 ATOM 187 C CD2 . TYR A 0 22 . 5.874 8.410 -12.112 1.00 89.29 22 A 1 ATOM 188 C CE1 . TYR A 0 22 . 6.710 9.417 -9.611 1.00 89.29 22 A 1 ATOM 189 C CE2 . TYR A 0 22 . 7.195 8.861 -11.942 1.00 89.29 22 A 1 ATOM 190 O OH . TYR A 0 22 . 8.887 9.812 -10.552 1.00 89.29 22 A 1 ATOM 191 C CZ . TYR A 0 22 . 7.613 9.370 -10.696 1.00 89.29 22 A 1 ATOM 192 N N . ALA A 0 23 . 1.175 5.842 -11.529 1.00 92.86 23 A 1 ATOM 193 C CA . ALA A 0 23 . -0.237 5.469 -11.526 1.00 92.86 23 A 1 ATOM 194 C C . ALA A 0 23 . -0.541 4.415 -10.446 1.00 92.86 23 A 1 ATOM 195 C CB . ALA A 0 23 . -0.619 4.980 -12.927 1.00 92.86 23 A 1 ATOM 196 O O . ALA A 0 23 . -1.494 4.573 -9.681 1.00 92.86 23 A 1 ATOM 197 N N . VAL A 0 24 . 0.304 3.383 -10.330 1.00 95.16 24 A 1 ATOM 198 C CA . VAL A 0 24 . 0.188 2.357 -9.281 1.00 95.16 24 A 1 ATOM 199 C C . VAL A 0 24 . 0.404 2.965 -7.895 1.00 95.16 24 A 1 ATOM 200 C CB . VAL A 0 24 . 1.164 1.192 -9.541 1.00 95.16 24 A 1 ATOM 201 O O . VAL A 0 24 . -0.378 2.695 -6.987 1.00 95.16 24 A 1 ATOM 202 C CG1 . VAL A 0 24 . 1.177 0.176 -8.390 1.00 95.16 24 A 1 ATOM 203 C CG2 . VAL A 0 24 . 0.770 0.425 -10.812 1.00 95.16 24 A 1 ATOM 204 N N . LEU A 0 25 . 1.409 3.829 -7.727 1.00 94.66 25 A 1 ATOM 205 C CA . LEU A 0 25 . 1.678 4.505 -6.457 1.00 94.66 25 A 1 ATOM 206 C C . LEU A 0 25 . 0.479 5.353 -6.000 1.00 94.66 25 A 1 ATOM 207 C CB . LEU A 0 25 . 2.955 5.349 -6.617 1.00 94.66 25 A 1 ATOM 208 O O . LEU A 0 25 . 0.061 5.262 -4.847 1.00 94.66 25 A 1 ATOM 209 C CG . LEU A 0 25 . 3.431 6.032 -5.324 1.00 94.66 25 A 1 ATOM 210 C CD1 . LEU A 0 25 . 3.871 5.015 -4.269 1.00 94.66 25 A 1 ATOM 211 C CD2 . LEU A 0 25 . 4.614 6.948 -5.637 1.00 94.66 25 A 1 ATOM 212 N N . VAL A 0 26 . -0.119 6.126 -6.909 1.00 95.97 26 A 1 ATOM 213 C CA . VAL A 0 26 . -1.322 6.927 -6.635 1.00 95.97 26 A 1 ATOM 214 C C . VAL A 0 26 . -2.510 6.029 -6.281 1.00 95.97 26 A 1 ATOM 215 C CB . VAL A 0 26 . -1.636 7.846 -7.832 1.00 95.97 26 A 1 ATOM 216 O O . VAL A 0 26 . -3.197 6.295 -5.294 1.00 95.97 26 A 1 ATOM 217 C CG1 . VAL A 0 26 . -3.007 8.525 -7.719 1.00 95.97 26 A 1 ATOM 218 C CG2 . VAL A 0 26 . -0.589 8.964 -7.941 1.00 95.97 26 A 1 ATOM 219 N N . ALA A 0 27 . -2.728 4.939 -7.023 1.00 96.74 27 A 1 ATOM 220 C CA . ALA A 0 27 . -3.793 3.982 -6.726 1.00 96.74 27 A 1 ATOM 221 C C . ALA A 0 27 . -3.627 3.353 -5.330 1.00 96.74 27 A 1 ATOM 222 C CB . ALA A 0 27 . -3.824 2.919 -7.830 1.00 96.74 27 A 1 ATOM 223 O O . ALA A 0 27 . -4.598 3.266 -4.577 1.00 96.74 27 A 1 ATOM 224 N N . MET A 0 28 . -2.397 2.991 -4.949 1.00 96.43 28 A 1 ATOM 225 C CA . MET A 0 28 . -2.078 2.449 -3.624 1.00 96.43 28 A 1 ATOM 226 C C . MET A 0 28 . -2.331 3.462 -2.505 1.00 96.43 28 A 1 ATOM 227 C CB . MET A 0 28 . -0.613 1.987 -3.586 1.00 96.43 28 A 1 ATOM 228 O O . MET A 0 28 . -2.880 3.097 -1.465 1.00 96.43 28 A 1 ATOM 229 C CG . MET A 0 28 . -0.383 0.692 -4.374 1.00 96.43 28 A 1 ATOM 230 S SD . MET A 0 28 . -1.289 -0.764 -3.779 1.00 96.43 28 A 1 ATOM 231 C CE . MET A 0 28 . -0.525 -1.005 -2.153 1.00 96.43 28 A 1 ATOM 232 N N . ILE A 0 29 . -1.979 4.735 -2.712 1.00 96.52 29 A 1 ATOM 233 C CA . ILE A 0 29 . -2.231 5.805 -1.735 1.00 96.52 29 A 1 ATOM 234 C C . ILE A 0 29 . -3.737 6.003 -1.531 1.00 96.52 29 A 1 ATOM 235 C CB . ILE A 0 29 . -1.525 7.110 -2.171 1.00 96.52 29 A 1 ATOM 236 O O . ILE A 0 29 . -4.198 6.060 -0.391 1.00 96.52 29 A 1 ATOM 237 C CG1 . ILE A 0 29 . 0.009 6.951 -2.058 1.00 96.52 29 A 1 ATOM 238 C CG2 . ILE A 0 29 . -1.981 8.308 -1.313 1.00 96.52 29 A 1 ATOM 239 C CD1 . ILE A 0 29 . 0.795 8.023 -2.825 1.00 96.52 29 A 1 ATOM 240 N N . ILE A 0 30 . -4.514 6.061 -2.617 1.00 96.97 30 A 1 ATOM 241 C CA . ILE A 0 30 . -5.974 6.220 -2.552 1.00 96.97 30 A 1 ATOM 242 C C . ILE A 0 30 . -6.610 5.016 -1.851 1.00 96.97 30 A 1 ATOM 243 C CB . ILE A 0 30 . -6.554 6.437 -3.968 1.00 96.97 30 A 1 ATOM 244 O O . ILE A 0 30 . -7.423 5.192 -0.943 1.00 96.97 30 A 1 ATOM 245 C CG1 . ILE A 0 30 . -6.073 7.789 -4.543 1.00 96.97 30 A 1 ATOM 246 C CG2 . ILE A 0 30 . -8.096 6.398 -3.945 1.00 96.97 30 A 1 ATOM 247 C CD1 . ILE A 0 30 . -6.336 7.944 -6.047 1.00 96.97 30 A 1 ATOM 248 N N . PHE A 0 31 . -6.217 3.797 -2.228 1.00 96.82 31 A 1 ATOM 249 C CA . PHE A 0 31 . -6.711 2.574 -1.600 1.00 96.82 31 A 1 ATOM 250 C C . PHE A 0 31 . -6.398 2.542 -0.098 1.00 96.82 31 A 1 ATOM 251 C CB . PHE A 0 31 . -6.109 1.365 -2.324 1.00 96.82 31 A 1 ATOM 252 O O . PHE A 0 31 . -7.295 2.324 0.715 1.00 96.82 31 A 1 ATOM 253 C CG . PHE A 0 31 . -6.547 0.044 -1.729 1.00 96.82 31 A 1 ATOM 254 C CD1 . PHE A 0 31 . -5.679 -0.679 -0.890 1.00 96.82 31 A 1 ATOM 255 C CD2 . PHE A 0 31 . -7.843 -0.443 -1.984 1.00 96.82 31 A 1 ATOM 256 C CE1 . PHE A 0 31 . -6.104 -1.889 -0.313 1.00 96.82 31 A 1 ATOM 257 C CE2 . PHE A 0 31 . -8.267 -1.652 -1.405 1.00 96.82 31 A 1 ATOM 258 C CZ . PHE A 0 31 . -7.398 -2.374 -0.570 1.00 96.82 31 A 1 ATOM 259 N N . SER A 0 32 . -5.153 2.844 0.282 1.00 96.61 32 A 1 ATOM 260 C CA . SER A 0 32 . -4.727 2.919 1.683 1.00 96.61 32 A 1 ATOM 261 C C . SER A 0 32 . -5.519 3.968 2.471 1.00 96.61 32 A 1 ATOM 262 C CB . SER A 0 32 . -3.228 3.222 1.735 1.00 96.61 32 A 1 ATOM 263 O O . SER A 0 32 . -5.967 3.697 3.585 1.00 96.61 32 A 1 ATOM 264 O OG . SER A 0 32 . -2.759 3.146 3.065 1.00 96.61 32 A 1 ATOM 265 N N . TYR A 0 33 . -5.790 5.135 1.875 1.00 96.74 33 A 1 ATOM 266 C CA . TYR A 0 33 . -6.628 6.170 2.483 1.00 96.74 33 A 1 ATOM 267 C C . TYR A 0 33 . -8.064 5.687 2.736 1.00 96.74 33 A 1 ATOM 268 C CB . TYR A 0 33 . -6.618 7.421 1.595 1.00 96.74 33 A 1 ATOM 269 O O . TYR A 0 33 . -8.600 5.906 3.824 1.00 96.74 33 A 1 ATOM 270 C CG . TYR A 0 33 . -7.534 8.520 2.095 1.00 96.74 33 A 1 ATOM 271 C CD1 . TYR A 0 33 . -8.837 8.646 1.574 1.00 96.74 33 A 1 ATOM 272 C CD2 . TYR A 0 33 . -7.091 9.394 3.106 1.00 96.74 33 A 1 ATOM 273 C CE1 . TYR A 0 33 . -9.697 9.646 2.066 1.00 96.74 33 A 1 ATOM 274 C CE2 . TYR A 0 33 . -7.945 10.399 3.596 1.00 96.74 33 A 1 ATOM 275 O OH . TYR A 0 33 . -10.088 11.484 3.551 1.00 96.74 33 A 1 ATOM 276 C CZ . TYR A 0 33 . -9.253 10.523 3.077 1.00 96.74 33 A 1 ATOM 277 N N . PHE A 0 34 . -8.682 4.998 1.771 1.00 95.64 34 A 1 ATOM 278 C CA . PHE A 0 34 . -10.020 4.422 1.945 1.00 95.64 34 A 1 ATOM 279 C C . PHE A 0 34 . -10.054 3.365 3.050 1.00 95.64 34 A 1 ATOM 280 C CB . PHE A 0 34 . -10.527 3.826 0.625 1.00 95.64 34 A 1 ATOM 281 O O . PHE A 0 34 . -10.956 3.396 3.888 1.00 95.64 34 A 1 ATOM 282 C CG . PHE A 0 34 . -11.310 4.811 -0.215 1.00 95.64 34 A 1 ATOM 283 C CD1 . PHE A 0 34 . -12.631 5.136 0.145 1.00 95.64 34 A 1 ATOM 284 C CD2 . PHE A 0 34 . -10.737 5.389 -1.361 1.00 95.64 34 A 1 ATOM 285 C CE1 . PHE A 0 34 . -13.373 6.039 -0.637 1.00 95.64 34 A 1 ATOM 286 C CE2 . PHE A 0 34 . -11.474 6.297 -2.139 1.00 95.64 34 A 1 ATOM 287 C CZ . PHE A 0 34 . -12.793 6.621 -1.778 1.00 95.64 34 A 1 ATOM 288 N N . VAL A 0 35 . -9.059 2.475 3.089 1.00 95.74 35 A 1 ATOM 289 C CA . VAL A 0 35 . -8.934 1.455 4.138 1.00 95.74 35 A 1 ATOM 290 C C . VAL A 0 35 . -8.759 2.113 5.507 1.00 95.74 35 A 1 ATOM 291 C CB . VAL A 0 35 . -7.783 0.482 3.818 1.00 95.74 35 A 1 ATOM 292 O O . VAL A 0 35 . -9.512 1.805 6.428 1.00 95.74 35 A 1 ATOM 293 C CG1 . VAL A 0 35 . -7.507 -0.489 4.972 1.00 95.74 35 A 1 ATOM 294 C CG2 . VAL A 0 35 . -8.115 -0.367 2.584 1.00 95.74 35 A 1 ATOM 295 N N . ALA A 0 36 . -7.841 3.073 5.642 1.00 94.95 36 A 1 ATOM 296 C CA . ALA A 0 36 . -7.620 3.799 6.892 1.00 94.95 36 A 1 ATOM 297 C C . ALA A 0 36 . -8.872 4.562 7.350 1.00 94.95 36 A 1 ATOM 298 C CB . ALA A 0 36 . -6.433 4.749 6.700 1.00 94.95 36 A 1 ATOM 299 O O . ALA A 0 36 . -9.176 4.585 8.542 1.00 94.95 36 A 1 ATOM 300 N N . ARG A 0 37 . -9.630 5.153 6.418 1.00 93.27 37 A 1 ATOM 301 C CA . ARG A 0 37 . -10.891 5.841 6.719 1.00 93.27 37 A 1 ATOM 302 C C . ARG A 0 37 . -11.983 4.872 7.169 1.00 93.27 37 A 1 ATOM 303 C CB . ARG A 0 37 . -11.324 6.674 5.506 1.00 93.27 37 A 1 ATOM 304 O O . ARG A 0 37 . -12.656 5.174 8.146 1.00 93.27 37 A 1 ATOM 305 C CG . ARG A 0 37 . -12.567 7.515 5.824 1.00 93.27 37 A 1 ATOM 306 C CD . ARG A 0 37 . -12.960 8.370 4.620 1.00 93.27 37 A 1 ATOM 307 N NE . ARG A 0 37 . -14.226 9.078 4.882 1.00 93.27 37 A 1 ATOM 308 N NH1 . ARG A 0 37 . -14.442 10.066 2.824 1.00 93.27 37 A 1 ATOM 309 N NH2 . ARG A 0 37 . -16.019 10.377 4.379 1.00 93.27 37 A 1 ATOM 310 C CZ . ARG A 0 37 . -14.887 9.836 4.030 1.00 93.27 37 A 1 ATOM 311 N N . GLY A 0 38 . -12.142 3.728 6.503 1.00 91.71 38 A 1 ATOM 312 C CA . GLY A 0 38 . -13.114 2.704 6.901 1.00 91.71 38 A 1 ATOM 313 C C . GLY A 0 38 . -12.785 2.109 8.269 1.00 91.71 38 A 1 ATOM 314 O O . GLY A 0 38 . -13.652 2.006 9.129 1.00 91.71 38 A 1 ATOM 315 N N . ILE A 0 39 . -11.504 1.819 8.505 1.00 91.27 39 A 1 ATOM 316 C CA . ILE A 0 39 . -10.997 1.392 9.809 1.00 91.27 39 A 1 ATOM 317 C C . ILE A 0 39 . -11.281 2.465 10.866 1.00 91.27 39 A 1 ATOM 318 C CB . ILE A 0 39 . -9.495 1.049 9.681 1.00 91.27 39 A 1 ATOM 319 O O . ILE A 0 39 . -11.806 2.145 11.927 1.00 91.27 39 A 1 ATOM 320 C CG1 . ILE A 0 39 . -9.316 -0.272 8.903 1.00 91.27 39 A 1 ATOM 321 C CG2 . ILE A 0 39 . -8.849 0.909 11.055 1.00 91.27 39 A 1 ATOM 322 C CD1 . ILE A 0 39 . -7.852 -0.609 8.588 1.00 91.27 39 A 1 ATOM 323 N N . ARG A 0 40 . -10.987 3.738 10.576 1.00 90.10 40 A 1 ATOM 324 C CA . ARG A 0 40 . -11.278 4.854 11.482 1.00 90.10 40 A 1 ATOM 325 C C . ARG A 0 40 . -12.769 4.930 11.809 1.00 90.10 40 A 1 ATOM 326 C CB . ARG A 0 40 . -10.739 6.163 10.885 1.00 90.10 40 A 1 ATOM 327 O O . ARG A 0 40 . -13.088 5.035 12.984 1.00 90.10 40 A 1 ATOM 328 C CG . ARG A 0 40 . -10.988 7.347 11.822 1.00 90.10 40 A 1 ATOM 329 C CD . ARG A 0 40 . -10.521 8.670 11.220 1.00 90.10 40 A 1 ATOM 330 N NE . ARG A 0 40 . -10.961 9.793 12.070 1.00 90.10 40 A 1 ATOM 331 N NH1 . ARG A 0 40 . -10.905 11.449 10.484 1.00 90.10 40 A 1 ATOM 332 N NH2 . ARG A 0 40 . -11.582 11.920 12.560 1.00 90.10 40 A 1 ATOM 333 C CZ . ARG A 0 40 . -11.145 11.044 11.701 1.00 90.10 40 A 1 ATOM 334 N N . GLU A 0 41 . -13.653 4.862 10.818 1.00 86.78 41 A 1 ATOM 335 C CA . GLU A 0 41 . -15.104 4.910 11.038 1.00 86.78 41 A 1 ATOM 336 C C . GLU A 0 41 . -15.550 3.781 11.971 1.00 86.78 41 A 1 ATOM 337 C CB . GLU A 0 41 . -15.841 4.836 9.690 1.00 86.78 41 A 1 ATOM 338 O O . GLU A 0 41 . -16.137 4.049 13.014 1.00 86.78 41 A 1 ATOM 339 C CG . GLU A 0 41 . -17.296 5.324 9.792 1.00 86.78 41 A 1 ATOM 340 C CD . GLU A 0 41 . -17.391 6.827 10.110 1.00 86.78 41 A 1 ATOM 341 O OE1 . GLU A 0 41 . -18.307 7.232 10.852 1.00 86.78 41 A 1 ATOM 342 O OE2 . GLU A 0 41 . -16.527 7.590 9.604 1.00 86.78 41 A 1 ATOM 343 N N . ILE A 0 42 . -15.128 2.542 11.683 1.00 84.94 42 A 1 ATOM 344 C CA . ILE A 0 42 . -15.430 1.375 12.520 1.00 84.94 42 A 1 ATOM 345 C C . ILE A 0 42 . -14.867 1.558 13.930 1.00 84.94 42 A 1 ATOM 346 C CB . ILE A 0 42 . -14.892 0.079 11.871 1.00 84.94 42 A 1 ATOM 347 O O . ILE A 0 42 . -15.565 1.267 14.896 1.00 84.94 42 A 1 ATOM 348 C CG1 . ILE A 0 42 . -15.624 -0.208 10.540 1.00 84.94 42 A 1 ATOM 349 C CG2 . ILE A 0 42 . -15.058 -1.127 12.821 1.00 84.94 42 A 1 ATOM 350 C CD1 . ILE A 0 42 . -14.909 -1.244 9.663 1.00 84.94 42 A 1 ATOM 351 N N . TYR A 0 43 . -13.632 2.047 14.089 1.00 81.23 43 A 1 ATOM 352 C CA . TYR A 0 43 . -13.050 2.297 15.409 1.00 81.23 43 A 1 ATOM 353 C C . TYR A 0 43 . -13.814 3.385 16.173 1.00 81.23 43 A 1 ATOM 354 C CB . TYR A 0 43 . -11.553 2.636 15.316 1.00 81.23 43 A 1 ATOM 355 O O . TYR A 0 43 . -14.098 3.193 17.350 1.00 81.23 43 A 1 ATOM 356 C CG . TYR A 0 43 . -10.633 1.425 15.336 1.00 81.23 43 A 1 ATOM 357 C CD1 . TYR A 0 43 . -10.490 0.656 16.507 1.00 81.23 43 A 1 ATOM 358 C CD2 . TYR A 0 43 . -9.878 1.089 14.205 1.00 81.23 43 A 1 ATOM 359 C CE1 . TYR A 0 43 . -9.626 -0.459 16.530 1.00 81.23 43 A 1 ATOM 360 C CE2 . TYR A 0 43 . -9.015 -0.024 14.218 1.00 81.23 43 A 1 ATOM 361 O OH . TYR A 0 43 . -8.069 -1.884 15.363 1.00 81.23 43 A 1 ATOM 362 C CZ . TYR A 0 43 . -8.899 -0.809 15.373 1.00 81.23 43 A 1 ATOM 363 N N . PHE A 0 44 . -14.202 4.496 15.544 1.00 72.64 44 A 1 ATOM 364 C CA . PHE A 0 44 . -14.994 5.539 16.209 1.00 72.64 44 A 1 ATOM 365 C C . PHE A 0 44 . -16.409 5.044 16.566 1.00 72.64 44 A 1 ATOM 366 C CB . PHE A 0 44 . -15.012 6.818 15.351 1.00 72.64 44 A 1 ATOM 367 O O . PHE A 0 44 . -16.888 5.321 17.671 1.00 72.64 44 A 1 ATOM 368 C CG . PHE A 0 44 . -13.851 7.768 15.622 1.00 72.64 44 A 1 ATOM 369 C CD1 . PHE A 0 44 . -13.958 8.731 16.641 1.00 72.64 44 A 1 ATOM 370 C CD2 . PHE A 0 44 . -12.650 7.687 14.893 1.00 72.64 44 A 1 ATOM 371 C CE1 . PHE A 0 44 . -12.888 9.602 16.914 1.00 72.64 44 A 1 ATOM 372 C CE2 . PHE A 0 44 . -11.572 8.549 15.167 1.00 72.64 44 A 1 ATOM 373 C CZ . PHE A 0 44 . -11.695 9.515 16.176 1.00 72.64 44 A 1 ATOM 374 N N . GLU A 0 45 . -17.029 4.244 15.694 1.00 64.25 45 A 1 ATOM 375 C CA . GLU A 0 45 . -18.326 3.585 15.904 1.00 64.25 45 A 1 ATOM 376 C C . GLU A 0 45 . -18.277 2.380 16.847 1.00 64.25 45 A 1 ATOM 377 C CB . GLU A 0 45 . -18.894 3.076 14.573 1.00 64.25 45 A 1 ATOM 378 O O . GLU A 0 45 . -19.328 1.936 17.288 1.00 64.25 45 A 1 ATOM 379 C CG . GLU A 0 45 . -19.503 4.170 13.692 1.00 64.25 45 A 1 ATOM 380 C CD . GLU A 0 45 . -20.151 3.571 12.432 1.00 64.25 45 A 1 ATOM 381 O OE1 . GLU A 0 45 . -21.105 4.198 11.920 1.00 64.25 45 A 1 ATOM 382 O OE2 . GLU A 0 45 . -19.745 2.456 12.020 1.00 64.25 45 A 1 ATOM 383 N N . THR A 0 46 . -17.111 1.818 17.176 1.00 59.29 46 A 1 ATOM 384 C CA . THR A 0 46 . -16.991 0.720 18.159 1.00 59.29 46 A 1 ATOM 385 C C . THR A 0 46 . -16.490 1.205 19.511 1.00 59.29 46 A 1 ATOM 386 C CB . THR A 0 46 . -16.133 -0.456 17.675 1.00 59.29 46 A 1 ATOM 387 O O . THR A 0 46 . -16.930 0.678 20.537 1.00 59.29 46 A 1 ATOM 388 C CG2 . THR A 0 46 . -16.882 -1.362 16.704 1.00 59.29 46 A 1 ATOM 389 O OG1 . THR A 0 46 . -14.956 -0.029 17.049 1.00 59.29 46 A 1 ATOM 390 N N . ILE A 0 47 . -15.654 2.246 19.536 1.00 58.24 47 A 1 ATOM 391 C CA . ILE A 0 47 . -15.187 2.907 20.761 1.00 58.24 47 A 1 ATOM 392 C C . ILE A 0 47 . -16.308 3.774 21.378 1.00 58.24 47 A 1 ATOM 393 C CB . ILE A 0 47 . -13.855 3.656 20.472 1.00 58.24 47 A 1 ATOM 394 O O . ILE A 0 47 . -16.292 4.019 22.583 1.00 58.24 47 A 1 ATOM 395 C CG1 . ILE A 0 47 . -12.739 2.647 20.079 1.00 58.24 47 A 1 ATOM 396 C CG2 . ILE A 0 47 . -13.381 4.483 21.680 1.00 58.24 47 A 1 ATOM 397 C CD1 . ILE A 0 47 . -11.485 3.290 19.468 1.00 58.24 47 A 1 ATOM 398 N N . THR A 0 48 . -17.347 4.136 20.607 1.00 56.84 48 A 1 ATOM 399 C CA . THR A 0 48 . -18.465 4.988 21.069 1.00 56.84 48 A 1 ATOM 400 C C . THR A 0 48 . -19.878 4.386 20.883 1.00 56.84 48 A 1 ATOM 401 C CB . THR A 0 48 . -18.381 6.411 20.457 1.00 56.84 48 A 1 ATOM 402 O O . THR A 0 48 . -20.759 5.072 20.378 1.00 56.84 48 A 1 ATOM 403 C CG2 . THR A 0 48 . -18.948 7.460 21.421 1.00 56.84 48 A 1 ATOM 404 O OG1 . THR A 0 48 . -17.059 6.790 20.141 1.00 56.84 48 A 1 ATOM 405 N N . PRO A 0 49 . -20.149 3.093 21.182 1.00 54.15 49 A 1 ATOM 406 C CA . PRO A 0 49 . -21.485 2.752 21.704 1.00 54.15 49 A 1 ATOM 407 C C . PRO A 0 49 . -21.567 1.494 22.589 1.00 54.15 49 A 1 ATOM 408 C CB . PRO A 0 49 . -22.380 2.554 20.472 1.00 54.15 49 A 1 ATOM 409 O O . PRO A 0 49 . -22.610 1.281 23.208 1.00 54.15 49 A 1 ATOM 410 C CG . PRO A 0 49 . -21.398 2.166 19.368 1.00 54.15 49 A 1 ATOM 411 C CD . PRO A 0 49 . -20.014 2.229 20.035 1.00 54.15 49 A 1 ATOM 412 N N . ASN A 0 50 . -20.531 0.655 22.714 1.00 51.74 50 A 1 ATOM 413 C CA . ASN A 0 50 . -20.664 -0.588 23.494 1.00 51.74 50 A 1 ATOM 414 C C . ASN A 0 50 . -20.522 -0.392 25.012 1.00 51.74 50 A 1 ATOM 415 C CB . ASN A 0 50 . -19.781 -1.702 22.917 1.00 51.74 50 A 1 ATOM 416 O O . ASN A 0 50 . -21.006 -1.232 25.765 1.00 51.74 50 A 1 ATOM 417 C CG . ASN A 0 50 . -20.423 -2.286 21.672 1.00 51.74 50 A 1 ATOM 418 N ND2 . ASN A 0 50 . -19.845 -2.062 20.515 1.00 51.74 50 A 1 ATOM 419 O OD1 . ASN A 0 50 . -21.478 -2.896 21.719 1.00 51.74 50 A 1 ATOM 420 N N . LEU A 0 51 . -19.999 0.749 25.482 1.00 52.21 51 A 1 ATOM 421 C CA . LEU A 0 51 . -20.128 1.114 26.900 1.00 52.21 51 A 1 ATOM 422 C C . LEU A 0 51 . -21.545 1.613 27.250 1.00 52.21 51 A 1 ATOM 423 C CB . LEU A 0 51 . -19.045 2.133 27.312 1.00 52.21 51 A 1 ATOM 424 O O . LEU A 0 51 . -22.013 1.398 28.364 1.00 52.21 51 A 1 ATOM 425 C CG . LEU A 0 51 . -18.237 1.645 28.534 1.00 52.21 51 A 1 ATOM 426 C CD1 . LEU A 0 51 . -17.024 0.826 28.088 1.00 52.21 51 A 1 ATOM 427 C CD2 . LEU A 0 51 . -17.748 2.820 29.377 1.00 52.21 51 A 1 ATOM 428 N N . CYS A 0 52 . -22.267 2.219 26.297 1.00 49.02 52 A 1 ATOM 429 C CA . CYS A 0 52 . -23.648 2.672 26.512 1.00 49.02 52 A 1 ATOM 430 C C . CYS A 0 52 . -24.687 1.567 26.285 1.00 49.02 52 A 1 ATOM 431 C CB . CYS A 0 52 . -23.943 3.898 25.638 1.00 49.02 52 A 1 ATOM 432 O O . CYS A 0 52 . -25.737 1.581 26.926 1.00 49.02 52 A 1 ATOM 433 S SG . CYS A 0 52 . -23.266 5.375 26.445 1.00 49.02 52 A 1 ATOM 434 N N . ARG A 0 53 . -24.413 0.585 25.415 1.00 50.33 53 A 1 ATOM 435 C CA . ARG A 0 53 . -25.383 -0.478 25.103 1.00 50.33 53 A 1 ATOM 436 C C . ARG A 0 53 . -25.391 -1.622 26.121 1.00 50.33 53 A 1 ATOM 437 C CB . ARG A 0 53 . -25.187 -0.937 23.649 1.00 50.33 53 A 1 ATOM 438 O O . ARG A 0 53 . -26.410 -2.287 26.269 1.00 50.33 53 A 1 ATOM 439 C CG . ARG A 0 53 . -26.530 -1.316 23.015 1.00 50.33 53 A 1 ATOM 440 C CD . ARG A 0 53 . -26.358 -1.660 21.533 1.00 50.33 53 A 1 ATOM 441 N NE . ARG A 0 53 . -27.640 -2.107 20.952 1.00 50.33 53 A 1 ATOM 442 N NH1 . ARG A 0 53 . -27.975 -0.422 19.416 1.00 50.33 53 A 1 ATOM 443 N NH2 . ARG A 0 53 . -29.481 -2.051 19.621 1.00 50.33 53 A 1 ATOM 444 C CZ . ARG A 0 53 . -28.352 -1.523 20.004 1.00 50.33 53 A 1 ATOM 445 N N . VAL A 0 54 . -24.307 -1.801 26.877 1.00 52.11 54 A 1 ATOM 446 C CA . VAL A 0 54 . -24.219 -2.806 27.952 1.00 52.11 54 A 1 ATOM 447 C C . VAL A 0 54 . -24.725 -2.267 29.304 1.00 52.11 54 A 1 ATOM 448 C CB . VAL A 0 54 . -22.794 -3.403 27.990 1.00 52.11 54 A 1 ATOM 449 O O . VAL A 0 54 . -25.099 -3.056 30.164 1.00 52.11 54 A 1 ATOM 450 C CG1 . VAL A 0 54 . -22.551 -4.374 29.150 1.00 52.11 54 A 1 ATOM 451 C CG2 . VAL A 0 54 . -22.526 -4.183 26.690 1.00 52.11 54 A 1 ATOM 452 N N . HIS A 0 55 . -24.855 -0.943 29.482 1.00 48.51 55 A 1 ATOM 453 C CA . HIS A 0 55 . -25.336 -0.334 30.737 1.00 48.51 55 A 1 ATOM 454 C C . HIS A 0 55 . -26.824 0.099 30.728 1.00 48.51 55 A 1 ATOM 455 C CB . HIS A 0 55 . -24.380 0.802 31.138 1.00 48.51 55 A 1 ATOM 456 O O . HIS A 0 55 . -27.331 0.566 31.745 1.00 48.51 55 A 1 ATOM 457 C CG . HIS A 0 55 . -24.492 1.203 32.591 1.00 48.51 55 A 1 ATOM 458 C CD2 . HIS A 0 55 . -23.872 0.612 33.660 1.00 48.51 55 A 1 ATOM 459 N ND1 . HIS A 0 55 . -25.276 2.215 33.094 1.00 48.51 55 A 1 ATOM 460 C CE1 . HIS A 0 55 . -25.133 2.234 34.428 1.00 48.51 55 A 1 ATOM 461 N NE2 . HIS A 0 55 . -24.282 1.277 34.824 1.00 48.51 55 A 1 ATOM 462 N N . GLN A 0 56 . -27.559 -0.048 29.617 1.00 52.23 56 A 1 ATOM 463 C CA . GLN A 0 56 . -28.994 0.307 29.557 1.00 52.23 56 A 1 ATOM 464 C C . GLN A 0 56 . -29.963 -0.887 29.584 1.00 52.23 56 A 1 ATOM 465 C CB . GLN A 0 56 . -29.272 1.286 28.406 1.00 52.23 56 A 1 ATOM 466 O O . GLN A 0 56 . -31.175 -0.696 29.526 1.00 52.23 56 A 1 ATOM 467 C CG . GLN A 0 56 . -28.800 2.706 28.762 1.00 52.23 56 A 1 ATOM 468 C CD . GLN A 0 56 . -29.361 3.769 27.822 1.00 52.23 56 A 1 ATOM 469 N NE2 . GLN A 0 56 . -29.230 5.034 28.160 1.00 52.23 56 A 1 ATOM 470 O OE1 . GLN A 0 56 . -29.929 3.504 26.778 1.00 52.23 56 A 1 ATOM 471 N N . SER A 0 57 . -29.463 -2.111 29.760 1.00 52.20 57 A 1 ATOM 472 C CA . SER A 0 57 . -30.294 -3.294 29.996 1.00 52.20 57 A 1 ATOM 473 C C . SER A 0 57 . -30.204 -3.665 31.479 1.00 52.20 57 A 1 ATOM 474 C CB . SER A 0 57 . -29.848 -4.425 29.063 1.00 52.20 57 A 1 ATOM 475 O O . SER A 0 57 . -29.182 -4.185 31.904 1.00 52.20 57 A 1 ATOM 476 O OG . SER A 0 57 . -30.834 -5.437 29.011 1.00 52.20 57 A 1 ATOM 477 N N . HIS A 0 58 . -31.265 -3.385 32.247 1.00 51.89 58 A 1 ATOM 478 C CA . HIS A 0 58 . -31.434 -3.583 33.705 1.00 51.89 58 A 1 ATOM 479 C C . HIS A 0 58 . -31.088 -2.402 34.642 1.00 51.89 58 A 1 ATOM 480 C CB . HIS A 0 58 . -30.869 -4.924 34.223 1.00 51.89 58 A 1 ATOM 481 O O . HIS A 0 58 . -30.175 -2.466 35.461 1.00 51.89 58 A 1 ATOM 482 C CG . HIS A 0 58 . -31.507 -6.138 33.608 1.00 51.89 58 A 1 ATOM 483 C CD2 . HIS A 0 58 . -31.046 -6.868 32.547 1.00 51.89 58 A 1 ATOM 484 N ND1 . HIS A 0 58 . -32.659 -6.744 34.052 1.00 51.89 58 A 1 ATOM 485 C CE1 . HIS A 0 58 . -32.895 -7.810 33.270 1.00 51.89 58 A 1 ATOM 486 N NE2 . HIS A 0 58 . -31.944 -7.919 32.332 1.00 51.89 58 A 1 ATOM 487 N N . LYS A 0 59 . -31.943 -1.372 34.664 1.00 49.79 59 A 1 ATOM 488 C CA . LYS A 0 59 . -32.345 -0.697 35.919 1.00 49.79 59 A 1 ATOM 489 C C . LYS A 0 59 . -33.829 -0.313 35.821 1.00 49.79 59 A 1 ATOM 490 C CB . LYS A 0 59 . -31.437 0.498 36.268 1.00 49.79 59 A 1 ATOM 491 O O . LYS A 0 59 . -34.307 -0.073 34.718 1.00 49.79 59 A 1 ATOM 492 C CG . LYS A 0 59 . -30.680 0.289 37.597 1.00 49.79 59 A 1 ATOM 493 C CD . LYS A 0 59 . -30.238 1.618 38.223 1.00 49.79 59 A 1 ATOM 494 C CE . LYS A 0 59 . -29.842 1.424 39.692 1.00 49.79 59 A 1 ATOM 495 N NZ . LYS A 0 59 . -29.201 2.640 40.253 1.00 49.79 59 A 1 ATOM 496 N N . PRO A 0 60 . -34.579 -0.392 36.929 1.00 53.60 60 A 1 ATOM 497 C CA . PRO A 0 60 . -35.912 -0.963 36.984 1.00 53.60 60 A 1 ATOM 498 C C . PRO A 0 60 . -36.964 0.073 36.613 1.00 53.60 60 A 1 ATOM 499 C CB . PRO A 0 60 . -36.092 -1.447 38.435 1.00 53.60 60 A 1 ATOM 500 O O . PRO A 0 60 . -36.774 1.267 36.837 1.00 53.60 60 A 1 ATOM 501 C CG . PRO A 0 60 . -34.905 -0.870 39.214 1.00 53.60 60 A 1 ATOM 502 C CD . PRO A 0 60 . -34.258 0.109 38.247 1.00 53.60 60 A 1 ATOM 503 N N . THR A 0 61 . -38.095 -0.412 36.114 1.00 57.73 61 A 1 ATOM 504 C CA . THR A 0 61 . -39.357 0.316 36.028 1.00 57.73 61 A 1 ATOM 505 C C . THR A 0 61 . -39.637 0.986 37.373 1.00 57.73 61 A 1 ATOM 506 C CB . THR A 0 61 . -40.487 -0.662 35.658 1.00 57.73 61 A 1 ATOM 507 O O . THR A 0 61 . -40.109 0.359 38.319 1.00 57.73 61 A 1 ATOM 508 C CG2 . THR A 0 61 . -41.717 0.048 35.100 1.00 57.73 61 A 1 ATOM 509 O OG1 . THR A 0 61 . -40.036 -1.555 34.661 1.00 57.73 61 A 1 ATOM 510 N N . SER A 0 62 . -39.272 2.262 37.464 1.00 54.47 62 A 1 ATOM 511 C CA . SER A 0 62 . -39.636 3.164 38.541 1.00 54.47 62 A 1 ATOM 512 C C . SER A 0 62 . -41.134 3.397 38.415 1.00 54.47 62 A 1 ATOM 513 C CB . SER A 0 62 . -38.826 4.461 38.404 1.00 54.47 62 A 1 ATOM 514 O O . SER A 0 62 . -41.571 4.280 37.681 1.00 54.47 62 A 1 ATOM 515 O OG . SER A 0 62 . -39.183 5.396 39.397 1.00 54.47 62 A 1 ATOM 516 N N . TYR A 0 63 . -41.922 2.554 39.080 1.00 60.41 63 A 1 ATOM 517 C CA . TYR A 0 63 . -43.325 2.836 39.345 1.00 60.41 63 A 1 ATOM 518 C C . TYR A 0 63 . -43.376 4.034 40.294 1.00 60.41 63 A 1 ATOM 519 C CB . TYR A 0 63 . -44.035 1.594 39.919 1.00 60.41 63 A 1 ATOM 520 O O . TYR A 0 63 . -43.167 3.899 41.498 1.00 60.41 63 A 1 ATOM 521 C CG . TYR A 0 63 . -44.890 0.857 38.907 1.00 60.41 63 A 1 ATOM 522 C CD1 . TYR A 0 63 . -46.258 1.175 38.793 1.00 60.41 63 A 1 ATOM 523 C CD2 . TYR A 0 63 . -44.329 -0.137 38.081 1.00 60.41 63 A 1 ATOM 524 C CE1 . TYR A 0 63 . -47.069 0.494 37.866 1.00 60.41 63 A 1 ATOM 525 C CE2 . TYR A 0 63 . -45.138 -0.821 37.150 1.00 60.41 63 A 1 ATOM 526 O OH . TYR A 0 63 . -47.302 -1.165 36.156 1.00 60.41 63 A 1 ATOM 527 C CZ . TYR A 0 63 . -46.512 -0.506 37.045 1.00 60.41 63 A 1 ATOM 528 N N . GLY A 0 64 . -43.629 5.214 39.727 1.00 54.86 64 A 1 ATOM 529 C CA . GLY A 0 64 . -44.269 6.293 40.461 1.00 54.86 64 A 1 ATOM 530 C C . GLY A 0 64 . -45.649 5.794 40.875 1.00 54.86 64 A 1 ATOM 531 O O . GLY A 0 64 . -46.526 5.621 40.034 1.00 54.86 64 A 1 ATOM 532 N N . SER A 0 65 . -45.794 5.456 42.151 1.00 53.63 65 A 1 ATOM 533 C CA . SER A 0 65 . -47.087 5.243 42.788 1.00 53.63 65 A 1 ATOM 534 C C . SER A 0 65 . -47.199 6.311 43.858 1.00 53.63 65 A 1 ATOM 535 C CB . SER A 0 65 . -47.225 3.824 43.343 1.00 53.63 65 A 1 ATOM 536 O O . SER A 0 65 . -46.761 6.119 44.993 1.00 53.63 65 A 1 ATOM 537 O OG . SER A 0 65 . -48.541 3.623 43.823 1.00 53.63 65 A 1 ATOM 538 N N . ASP A 0 66 . -47.717 7.456 43.431 1.00 61.79 66 A 1 ATOM 539 C CA . ASP A 0 66 . -48.031 8.591 44.277 1.00 61.79 66 A 1 ATOM 540 C C . ASP A 0 66 . -49.035 8.201 45.376 1.00 61.79 66 A 1 ATOM 541 C CB . ASP A 0 66 . -48.546 9.754 43.410 1.00 61.79 66 A 1 ATOM 542 O O . ASP A 0 66 . -49.989 7.447 45.173 1.00 61.79 66 A 1 ATOM 543 C CG . ASP A 0 66 . -47.442 10.346 42.524 1.00 61.79 66 A 1 ATOM 544 O OD1 . ASP A 0 66 . -46.372 10.677 43.078 1.00 61.79 66 A 1 ATOM 545 O OD2 . ASP A 0 66 . -47.649 10.405 41.290 1.00 61.79 66 A 1 ATOM 546 N N . GLU A 0 67 . -48.725 8.701 46.568 1.00 59.43 67 A 1 ATOM 547 C CA . GLU A 0 67 . -49.589 9.093 47.679 1.00 59.43 67 A 1 ATOM 548 C C . GLU A 0 67 . -51.095 8.781 47.574 1.00 59.43 67 A 1 ATOM 549 C CB . GLU A 0 67 . -49.424 10.620 47.824 1.00 59.43 67 A 1 ATOM 550 O O . GLU A 0 67 . -51.831 9.478 46.884 1.00 59.43 67 A 1 ATOM 551 C CG . GLU A 0 67 . -48.024 11.037 48.291 1.00 59.43 67 A 1 ATOM 552 C CD . GLU A 0 67 . -47.845 12.556 48.197 1.00 59.43 67 A 1 ATOM 553 O OE1 . GLU A 0 67 . -48.094 13.231 49.222 1.00 59.43 67 A 1 ATOM 554 O OE2 . GLU A 0 67 . -47.443 13.022 47.111 1.00 59.43 67 A 1 ATOM 555 N N . ASN A 0 68 . -51.597 7.860 48.411 1.00 58.48 68 A 1 ATOM 556 C CA . ASN A 0 68 . -52.801 8.134 49.213 1.00 58.48 68 A 1 ATOM 557 C C . ASN A 0 68 . -52.939 7.155 50.396 1.00 58.48 68 A 1 ATOM 558 C CB . ASN A 0 68 . -54.103 8.188 48.383 1.00 58.48 68 A 1 ATOM 559 O O . ASN A 0 68 . -53.777 6.254 50.414 1.00 58.48 68 A 1 ATOM 560 C CG . ASN A 0 68 . -55.167 8.998 49.105 1.00 58.48 68 A 1 ATOM 561 N ND2 . ASN A 0 68 . -56.209 9.387 48.411 1.00 58.48 68 A 1 ATOM 562 O OD1 . ASN A 0 68 . -55.090 9.298 50.290 1.00 58.48 68 A 1 ATOM 563 N N . GLY A 0 69 . -52.097 7.332 51.412 1.00 55.52 69 A 1 ATOM 564 C CA . GLY A 0 69 . -52.250 6.679 52.711 1.00 55.52 69 A 1 ATOM 565 C C . GLY A 0 69 . -53.191 7.459 53.630 1.00 55.52 69 A 1 ATOM 566 O O . GLY A 0 69 . -52.754 7.904 54.689 1.00 55.52 69 A 1 ATOM 567 N N . THR A 0 70 . -54.465 7.641 53.260 1.00 63.33 70 A 1 ATOM 568 C CA . THR A 0 70 . -55.463 8.217 54.183 1.00 63.33 70 A 1 ATOM 569 C C . THR A 0 70 . -55.952 7.139 55.146 1.00 63.33 70 A 1 ATOM 570 C CB . THR A 0 70 . -56.594 8.982 53.494 1.00 63.33 70 A 1 ATOM 571 O O . THR A 0 70 . -56.893 6.383 54.914 1.00 63.33 70 A 1 ATOM 572 C CG2 . THR A 0 70 . -57.496 9.671 54.525 1.00 63.33 70 A 1 ATOM 573 O OG1 . THR A 0 70 . -56.036 10.030 52.738 1.00 63.33 70 A 1 ATOM 574 N N . ARG A 0 71 . -55.200 7.061 56.238 1.00 62.33 71 A 1 ATOM 575 C CA . ARG A 0 71 . -55.446 6.312 57.461 1.00 62.33 71 A 1 ATOM 576 C C . ARG A 0 71 . -56.675 6.899 58.182 1.00 62.33 71 A 1 ATOM 577 C CB . ARG A 0 71 . -54.134 6.449 58.264 1.00 62.33 71 A 1 ATOM 578 O O . ARG A 0 71 . -56.886 8.103 58.162 1.00 62.33 71 A 1 ATOM 579 C CG . ARG A 0 71 . -53.785 5.325 59.245 1.00 62.33 71 A 1 ATOM 580 C CD . ARG A 0 71 . -52.371 5.584 59.802 1.00 62.33 71 A 1 ATOM 581 N NE . ARG A 0 71 . -52.287 5.348 61.258 1.00 62.33 71 A 1 ATOM 582 N NH1 . ARG A 0 71 . -50.486 3.912 61.300 1.00 62.33 71 A 1 ATOM 583 N NH2 . ARG A 0 71 . -51.401 4.600 63.212 1.00 62.33 71 A 1 ATOM 584 C CZ . ARG A 0 71 . -51.395 4.623 61.909 1.00 62.33 71 A 1 ATOM 585 N N . THR A 0 72 . -57.401 6.020 58.875 1.00 68.23 72 A 1 ATOM 586 C CA . THR A 0 72 . -58.419 6.272 59.918 1.00 68.23 72 A 1 ATOM 587 C C . THR A 0 72 . -59.796 6.775 59.475 1.00 68.23 72 A 1 ATOM 588 C CB . THR A 0 72 . -57.878 7.081 61.115 1.00 68.23 72 A 1 ATOM 589 O O . THR A 0 72 . -60.048 7.971 59.390 1.00 68.23 72 A 1 ATOM 590 C CG2 . THR A 0 72 . -56.575 6.497 61.665 1.00 68.23 72 A 1 ATOM 591 O OG1 . THR A 0 72 . -57.582 8.419 60.816 1.00 68.23 72 A 1 ATOM 592 N N . GLY A 0 73 . -60.729 5.832 59.313 1.00 64.68 73 A 1 ATOM 593 C CA . GLY A 0 73 . -62.152 6.094 59.518 1.00 64.68 73 A 1 ATOM 594 C C . GLY A 0 73 . -62.501 6.022 61.013 1.00 64.68 73 A 1 ATOM 595 O O . GLY A 0 73 . -61.990 5.134 61.701 1.00 64.68 73 A 1 ATOM 596 N N . PRO A 0 74 . -63.360 6.912 61.533 1.00 68.97 74 A 1 ATOM 597 C CA . PRO A 0 74 . -64.094 6.673 62.760 1.00 68.97 74 A 1 ATOM 598 C C . PRO A 0 74 . -65.433 6.026 62.389 1.00 68.97 74 A 1 ATOM 599 C CB . PRO A 0 74 . -64.244 8.057 63.391 1.00 68.97 74 A 1 ATOM 600 O O . PRO A 0 74 . -66.259 6.630 61.708 1.00 68.97 74 A 1 ATOM 601 C CG . PRO A 0 74 . -64.333 9.001 62.186 1.00 68.97 74 A 1 ATOM 602 C CD . PRO A 0 74 . -63.680 8.239 61.023 1.00 68.97 74 A 1 ATOM 603 N N . HIS A 0 75 . -65.652 4.789 62.825 1.00 61.17 75 A 1 ATOM 604 C CA . HIS A 0 75 . -67.008 4.258 62.910 1.00 61.17 75 A 1 ATOM 605 C C . HIS A 0 75 . -67.602 4.779 64.224 1.00 61.17 75 A 1 ATOM 606 C CB . HIS A 0 75 . -67.004 2.725 62.775 1.00 61.17 75 A 1 ATOM 607 O O . HIS A 0 75 . -67.161 4.383 65.304 1.00 61.17 75 A 1 ATOM 608 C CG . HIS A 0 75 . -67.811 2.256 61.592 1.00 61.17 75 A 1 ATOM 609 C CD2 . HIS A 0 75 . -67.334 1.860 60.369 1.00 61.17 75 A 1 ATOM 610 N ND1 . HIS A 0 75 . -69.184 2.184 61.540 1.00 61.17 75 A 1 ATOM 611 C CE1 . HIS A 0 75 . -69.523 1.731 60.320 1.00 61.17 75 A 1 ATOM 612 N NE2 . HIS A 0 75 . -68.429 1.520 59.567 1.00 61.17 75 A 1 ATOM 613 N N . SER A 0 76 . -68.514 5.748 64.104 1.00 62.76 76 A 1 ATOM 614 C CA . SER A 0 76 . -69.572 5.986 65.095 1.00 62.76 76 A 1 ATOM 615 C C . SER A 0 76 . -70.628 4.888 65.022 1.00 62.76 76 A 1 ATOM 616 C CB . SER A 0 76 . -70.245 7.339 64.872 1.00 62.76 76 A 1 ATOM 617 O O . SER A 0 76 . -70.700 4.207 63.968 1.00 62.76 76 A 1 ATOM 618 O OG . SER A 0 76 . -69.288 8.331 65.157 1.00 62.76 76 A 1 ATOM 619 O OXT . SER A 0 76 . -71.342 4.781 66.036 1.00 62.76 76 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 71.29 # loop_ _atom_type.symbol C N O S #