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 PRO 0 3 ALA 0 4 PHE 0 5 LYS 0 6 GLN 0 7 ARG 0 8 GLN 0 9 PRO 0 10 ASP 0 11 ARG 0 12 GLY 0 13 GLY 0 14 TYR 0 15 SER 0 16 CYS 0 17 ASP 0 18 GLY 0 19 SER 0 20 TRP 0 21 ASN 0 22 GLY 0 23 GLY 0 24 ARG 0 25 CYS 0 26 VAL 0 27 VAL 0 28 GLY 0 29 SER 0 30 ASN 0 31 ILE 0 32 SER 0 33 SER 0 34 ARG 0 35 GLY 0 36 VAL 0 37 GLY 0 38 GLY 0 39 GLY 0 40 TYR 0 41 ALA 0 42 GLN 0 43 MET 0 44 TYR 0 45 GLY 0 46 GLN 0 47 THR 0 48 THR 0 49 PRO 0 50 TYR 0 51 MET 0 52 SER 0 53 ASN 0 54 GLY 0 55 ARG 0 56 GLY 0 57 VAL 0 58 ALA 0 59 LEU 0 60 GLY 0 61 ASP 0 62 GLY 0 63 TYR 0 64 VAL 0 65 THR 0 66 ASP 0 67 PRO 0 68 TYR 0 69 GLN 0 70 MET 0 71 ALA 0 72 SER 0 73 ILE 0 74 ASN 0 75 GLN 0 76 GLN 0 77 MET 0 78 GLY 0 79 GLY 0 80 MET 0 81 MET 0 82 LEU 0 83 PHE 0 84 GLU 0 85 PRO 0 86 GLY 0 87 LEU 0 88 SER 0 89 SER 0 90 ALA 0 91 SER 0 92 HIS 0 93 GLN 0 94 ASP 0 95 PHE 0 96 VAL 0 97 PHE 0 98 GLN 0 99 PRO 0 100 THR 0 101 LYS 0 102 GLY 0 103 PRO 0 104 VAL 0 105 VAL 0 106 GLY 0 107 ASP 0 108 PHE 0 109 ASN 0 110 TYR 0 111 GLY 0 112 ARG 0 113 GLY 0 114 GLN 0 115 ARG 0 116 GLY 0 117 GLY 0 118 ARG 0 119 SER 0 120 SER 0 121 ARG 0 122 GLY 0 123 ARG 0 124 PRO 0 125 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 . -22.052 19.152 -37.621 1.00 62.19 1 A 1 ATOM 2 C CA . MET A 0 1 . -21.025 18.880 -36.588 1.00 62.19 1 A 1 ATOM 3 C C . MET A 0 1 . -19.817 19.768 -36.874 1.00 62.19 1 A 1 ATOM 4 C CB . MET A 0 1 . -20.610 17.400 -36.624 1.00 62.19 1 A 1 ATOM 5 O O . MET A 0 1 . -19.358 19.725 -38.010 1.00 62.19 1 A 1 ATOM 6 C CG . MET A 0 1 . -21.682 16.466 -36.047 1.00 62.19 1 A 1 ATOM 7 S SD . MET A 0 1 . -21.403 14.736 -36.494 1.00 62.19 1 A 1 ATOM 8 C CE . MET A 0 1 . -22.188 13.885 -35.098 1.00 62.19 1 A 1 ATOM 9 N N . PRO A 0 2 . -19.338 20.615 -35.943 1.00 66.67 2 A 1 ATOM 10 C CA . PRO A 0 2 . -18.157 21.451 -36.179 1.00 66.67 2 A 1 ATOM 11 C C . PRO A 0 2 . -16.895 20.584 -36.312 1.00 66.67 2 A 1 ATOM 12 C CB . PRO A 0 2 . -18.061 22.413 -34.985 1.00 66.67 2 A 1 ATOM 13 O O . PRO A 0 2 . -16.678 19.700 -35.490 1.00 66.67 2 A 1 ATOM 14 C CG . PRO A 0 2 . -19.424 22.309 -34.299 1.00 66.67 2 A 1 ATOM 15 C CD . PRO A 0 2 . -19.885 20.890 -34.625 1.00 66.67 2 A 1 ATOM 16 N N . ALA A 0 3 . -16.077 20.825 -37.340 1.00 64.90 3 A 1 ATOM 17 C CA . ALA A 0 3 . -14.832 20.097 -37.581 1.00 64.90 3 A 1 ATOM 18 C C . ALA A 0 3 . -13.652 20.778 -36.871 1.00 64.90 3 A 1 ATOM 19 C CB . ALA A 0 3 . -14.604 19.978 -39.094 1.00 64.90 3 A 1 ATOM 20 O O . ALA A 0 3 . -13.356 21.951 -37.107 1.00 64.90 3 A 1 ATOM 21 N N . PHE A 0 4 . -12.961 20.032 -36.015 1.00 74.78 4 A 1 ATOM 22 C CA . PHE A 0 4 . -11.776 20.482 -35.288 1.00 74.78 4 A 1 ATOM 23 C C . PHE A 0 4 . -10.548 20.341 -36.198 1.00 74.78 4 A 1 ATOM 24 C CB . PHE A 0 4 . -11.629 19.703 -33.960 1.00 74.78 4 A 1 ATOM 25 O O . PHE A 0 4 . -10.157 19.232 -36.559 1.00 74.78 4 A 1 ATOM 26 C CG . PHE A 0 4 . -12.817 18.825 -33.603 1.00 74.78 4 A 1 ATOM 27 C CD1 . PHE A 0 4 . -13.921 19.366 -32.917 1.00 74.78 4 A 1 ATOM 28 C CD2 . PHE A 0 4 . -12.860 17.493 -34.059 1.00 74.78 4 A 1 ATOM 29 C CE1 . PHE A 0 4 . -15.060 18.575 -32.683 1.00 74.78 4 A 1 ATOM 30 C CE2 . PHE A 0 4 . -14.000 16.704 -33.825 1.00 74.78 4 A 1 ATOM 31 C CZ . PHE A 0 4 . -15.099 17.245 -33.137 1.00 74.78 4 A 1 ATOM 32 N N . LYS A 0 5 . -9.937 21.463 -36.592 1.00 73.66 5 A 1 ATOM 33 C CA . LYS A 0 5 . -8.640 21.465 -37.283 1.00 73.66 5 A 1 ATOM 34 C C . LYS A 0 5 . -7.527 21.359 -36.242 1.00 73.66 5 A 1 ATOM 35 C CB . LYS A 0 5 . -8.481 22.712 -38.169 1.00 73.66 5 A 1 ATOM 36 O O . LYS A 0 5 . -7.408 22.220 -35.373 1.00 73.66 5 A 1 ATOM 37 C CG . LYS A 0 5 . -9.378 22.654 -39.417 1.00 73.66 5 A 1 ATOM 38 C CD . LYS A 0 5 . -9.208 23.913 -40.280 1.00 73.66 5 A 1 ATOM 39 C CE . LYS A 0 5 . -10.106 23.833 -41.521 1.00 73.66 5 A 1 ATOM 40 N NZ . LYS A 0 5 . -9.976 25.042 -42.377 1.00 73.66 5 A 1 ATOM 41 N N . GLN A 0 6 . -6.725 20.304 -36.342 1.00 71.86 6 A 1 ATOM 42 C CA . GLN A 0 6 . -5.527 20.097 -35.535 1.00 71.86 6 A 1 ATOM 43 C C . GLN A 0 6 . -4.543 21.250 -35.794 1.00 71.86 6 A 1 ATOM 44 C CB . GLN A 0 6 . -4.961 18.713 -35.904 1.00 71.86 6 A 1 ATOM 45 O O . GLN A 0 6 . -4.135 21.481 -36.932 1.00 71.86 6 A 1 ATOM 46 C CG . GLN A 0 6 . -3.904 18.166 -34.936 1.00 71.86 6 A 1 ATOM 47 C CD . GLN A 0 6 . -3.556 16.722 -35.298 1.00 71.86 6 A 1 ATOM 48 N NE2 . GLN A 0 6 . -3.892 15.750 -34.478 1.00 71.86 6 A 1 ATOM 49 O OE1 . GLN A 0 6 . -3.014 16.439 -36.350 1.00 71.86 6 A 1 ATOM 50 N N . ARG A 0 7 . -4.202 22.014 -34.751 1.00 68.73 7 A 1 ATOM 51 C CA . ARG A 0 7 . -3.142 23.026 -34.816 1.00 68.73 7 A 1 ATOM 52 C C . ARG A 0 7 . -1.801 22.296 -34.833 1.00 68.73 7 A 1 ATOM 53 C CB . ARG A 0 7 . -3.242 23.991 -33.621 1.00 68.73 7 A 1 ATOM 54 O O . ARG A 0 7 . -1.515 21.545 -33.904 1.00 68.73 7 A 1 ATOM 55 C CG . ARG A 0 7 . -4.444 24.945 -33.725 1.00 68.73 7 A 1 ATOM 56 C CD . ARG A 0 7 . -4.472 25.881 -32.509 1.00 68.73 7 A 1 ATOM 57 N NE . ARG A 0 7 . -5.347 27.054 -32.729 1.00 68.73 7 A 1 ATOM 58 N NH1 . ARG A 0 7 . -3.955 28.659 -31.831 1.00 68.73 7 A 1 ATOM 59 N NH2 . ARG A 0 7 . -5.915 29.265 -32.690 1.00 68.73 7 A 1 ATOM 60 C CZ . ARG A 0 7 . -5.068 28.312 -32.415 1.00 68.73 7 A 1 ATOM 61 N N . GLN A 0 8 . -1.012 22.479 -35.889 1.00 70.61 8 A 1 ATOM 62 C CA . GLN A 0 8 . 0.374 22.014 -35.900 1.00 70.61 8 A 1 ATOM 63 C C . GLN A 0 8 . 1.188 22.848 -34.899 1.00 70.61 8 A 1 ATOM 64 C CB . GLN A 0 8 . 0.976 22.106 -37.311 1.00 70.61 8 A 1 ATOM 65 O O . GLN A 0 8 . 0.949 24.053 -34.812 1.00 70.61 8 A 1 ATOM 66 C CG . GLN A 0 8 . 0.297 21.125 -38.282 1.00 70.61 8 A 1 ATOM 67 C CD . GLN A 0 8 . 1.068 20.939 -39.587 1.00 70.61 8 A 1 ATOM 68 N NE2 . GLN A 0 8 . 0.869 19.836 -40.274 1.00 70.61 8 A 1 ATOM 69 O OE1 . GLN A 0 8 . 1.852 21.761 -40.023 1.00 70.61 8 A 1 ATOM 70 N N . PRO A 0 9 . 2.111 22.245 -34.131 1.00 69.59 9 A 1 ATOM 71 C CA . PRO A 0 9 . 3.035 23.011 -33.312 1.00 69.59 9 A 1 ATOM 72 C C . PRO A 0 9 . 3.970 23.812 -34.220 1.00 69.59 9 A 1 ATOM 73 C CB . PRO A 0 9 . 3.763 21.992 -32.432 1.00 69.59 9 A 1 ATOM 74 O O . PRO A 0 9 . 4.599 23.265 -35.129 1.00 69.59 9 A 1 ATOM 75 C CG . PRO A 0 9 . 3.686 20.696 -33.238 1.00 69.59 9 A 1 ATOM 76 C CD . PRO A 0 9 . 2.383 20.820 -34.027 1.00 69.59 9 A 1 ATOM 77 N N . ASP A 0 10 . 4.025 25.118 -33.975 1.00 55.93 10 A 1 ATOM 78 C CA . ASP A 0 10 . 4.891 26.041 -34.686 1.00 55.93 10 A 1 ATOM 79 C C . ASP A 0 10 . 6.366 25.634 -34.554 1.00 55.93 10 A 1 ATOM 80 C CB . ASP A 0 10 . 4.646 27.479 -34.208 1.00 55.93 10 A 1 ATOM 81 O O . ASP A 0 10 . 6.897 25.332 -33.485 1.00 55.93 10 A 1 ATOM 82 C CG . ASP A 0 10 . 3.258 27.973 -34.624 1.00 55.93 10 A 1 ATOM 83 O OD1 . ASP A 0 10 . 3.061 28.149 -35.847 1.00 55.93 10 A 1 ATOM 84 O OD2 . ASP A 0 10 . 2.405 28.145 -33.722 1.00 55.93 10 A 1 ATOM 85 N N . ARG A 0 11 . 7.007 25.635 -35.715 1.00 41.58 11 A 1 ATOM 86 C CA . ARG A 0 11 . 8.423 25.438 -36.019 1.00 41.58 11 A 1 ATOM 87 C C . ARG A 0 11 . 9.347 26.179 -35.031 1.00 41.58 11 A 1 ATOM 88 C CB . ARG A 0 11 . 8.509 25.983 -37.458 1.00 41.58 11 A 1 ATOM 89 O O . ARG A 0 11 . 9.571 27.374 -35.181 1.00 41.58 11 A 1 ATOM 90 C CG . ARG A 0 11 . 9.756 25.665 -38.282 1.00 41.58 11 A 1 ATOM 91 C CD . ARG A 0 11 . 9.526 26.292 -39.668 1.00 41.58 11 A 1 ATOM 92 N NE . ARG A 0 11 . 10.495 25.826 -40.675 1.00 41.58 11 A 1 ATOM 93 N NH1 . ARG A 0 11 . 9.568 26.917 -42.473 1.00 41.58 11 A 1 ATOM 94 N NH2 . ARG A 0 11 . 11.360 25.623 -42.771 1.00 41.58 11 A 1 ATOM 95 C CZ . ARG A 0 11 . 10.469 26.123 -41.963 1.00 41.58 11 A 1 ATOM 96 N N . GLY A 0 12 . 9.939 25.460 -34.076 1.00 49.45 12 A 1 ATOM 97 C CA . GLY A 0 12 . 11.024 25.943 -33.208 1.00 49.45 12 A 1 ATOM 98 C C . GLY A 0 12 . 12.195 24.962 -33.232 1.00 49.45 12 A 1 ATOM 99 O O . GLY A 0 12 . 12.087 23.863 -32.697 1.00 49.45 12 A 1 ATOM 100 N N . GLY A 0 13 . 13.271 25.330 -33.933 1.00 43.93 13 A 1 ATOM 101 C CA . GLY A 0 13 . 14.383 24.455 -34.303 1.00 43.93 13 A 1 ATOM 102 C C . GLY A 0 13 . 15.351 24.119 -33.168 1.00 43.93 13 A 1 ATOM 103 O O . GLY A 0 13 . 15.725 24.968 -32.363 1.00 43.93 13 A 1 ATOM 104 N N . TYR A 0 14 . 15.799 22.867 -33.159 1.00 48.50 14 A 1 ATOM 105 C CA . TYR A 0 14 . 16.921 22.397 -32.355 1.00 48.50 14 A 1 ATOM 106 C C . TYR A 0 14 . 18.205 22.709 -33.134 1.00 48.50 14 A 1 ATOM 107 C CB . TYR A 0 14 . 16.754 20.894 -32.041 1.00 48.50 14 A 1 ATOM 108 O O . TYR A 0 14 . 18.578 21.961 -34.033 1.00 48.50 14 A 1 ATOM 109 C CG . TYR A 0 14 . 15.311 20.436 -31.921 1.00 48.50 14 A 1 ATOM 110 C CD1 . TYR A 0 14 . 14.569 20.727 -30.761 1.00 48.50 14 A 1 ATOM 111 C CD2 . TYR A 0 14 . 14.695 19.789 -33.011 1.00 48.50 14 A 1 ATOM 112 C CE1 . TYR A 0 14 . 13.208 20.373 -30.689 1.00 48.50 14 A 1 ATOM 113 C CE2 . TYR A 0 14 . 13.335 19.435 -32.942 1.00 48.50 14 A 1 ATOM 114 O OH . TYR A 0 14 . 11.274 19.397 -31.727 1.00 48.50 14 A 1 ATOM 115 C CZ . TYR A 0 14 . 12.589 19.731 -31.783 1.00 48.50 14 A 1 ATOM 116 N N . SER A 0 15 . 18.836 23.843 -32.836 1.00 47.49 15 A 1 ATOM 117 C CA . SER A 0 15 . 20.156 24.194 -33.365 1.00 47.49 15 A 1 ATOM 118 C C . SER A 0 15 . 21.125 24.280 -32.193 1.00 47.49 15 A 1 ATOM 119 C CB . SER A 0 15 . 20.097 25.484 -34.192 1.00 47.49 15 A 1 ATOM 120 O O . SER A 0 15 . 21.066 25.198 -31.376 1.00 47.49 15 A 1 ATOM 121 O OG . SER A 0 15 . 20.781 25.287 -35.407 1.00 47.49 15 A 1 ATOM 122 N N . CYS A 0 16 . 21.962 23.256 -32.051 1.00 53.65 16 A 1 ATOM 123 C CA . CYS A 0 16 . 23.069 23.205 -31.103 1.00 53.65 16 A 1 ATOM 124 C C . CYS A 0 16 . 24.313 23.798 -31.772 1.00 53.65 16 A 1 ATOM 125 C CB . CYS A 0 16 . 23.242 21.781 -30.534 1.00 53.65 16 A 1 ATOM 126 O O . CYS A 0 16 . 25.290 23.106 -32.050 1.00 53.65 16 A 1 ATOM 127 S SG . CYS A 0 16 . 22.743 20.468 -31.694 1.00 53.65 16 A 1 ATOM 128 N N . ASP A 0 17 . 24.257 25.102 -32.033 1.00 45.58 17 A 1 ATOM 129 C CA . ASP A 0 17 . 25.346 25.835 -32.665 1.00 45.58 17 A 1 ATOM 130 C C . ASP A 0 17 . 26.138 26.594 -31.600 1.00 45.58 17 A 1 ATOM 131 C CB . ASP A 0 17 . 24.829 26.786 -33.752 1.00 45.58 17 A 1 ATOM 132 O O . ASP A 0 17 . 25.644 27.522 -30.966 1.00 45.58 17 A 1 ATOM 133 C CG . ASP A 0 17 . 23.819 26.137 -34.691 1.00 45.58 17 A 1 ATOM 134 O OD1 . ASP A 0 17 . 24.046 24.994 -35.138 1.00 45.58 17 A 1 ATOM 135 O OD2 . ASP A 0 17 . 22.784 26.791 -34.942 1.00 45.58 17 A 1 ATOM 136 N N . GLY A 0 18 . 27.402 26.213 -31.431 1.00 45.77 18 A 1 ATOM 137 C CA . GLY A 0 18 . 28.419 27.117 -30.905 1.00 45.77 18 A 1 ATOM 138 C C . GLY A 0 18 . 28.484 27.247 -29.386 1.00 45.77 18 A 1 ATOM 139 O O . GLY A 0 18 . 28.110 28.266 -28.816 1.00 45.77 18 A 1 ATOM 140 N N . SER A 0 19 . 29.140 26.297 -28.723 1.00 42.52 19 A 1 ATOM 141 C CA . SER A 0 19 . 29.915 26.675 -27.541 1.00 42.52 19 A 1 ATOM 142 C C . SER A 0 19 . 31.200 25.871 -27.462 1.00 42.52 19 A 1 ATOM 143 C CB . SER A 0 19 . 29.099 26.607 -26.254 1.00 42.52 19 A 1 ATOM 144 O O . SER A 0 19 . 31.220 24.699 -27.089 1.00 42.52 19 A 1 ATOM 145 O OG . SER A 0 19 . 29.854 27.233 -25.233 1.00 42.52 19 A 1 ATOM 146 N N . TRP A 0 20 . 32.288 26.557 -27.802 1.00 50.59 20 A 1 ATOM 147 C CA . TRP A 0 20 . 33.689 26.141 -27.738 1.00 50.59 20 A 1 ATOM 148 C C . TRP A 0 20 . 34.198 25.928 -26.294 1.00 50.59 20 A 1 ATOM 149 C CB . TRP A 0 20 . 34.499 27.186 -28.522 1.00 50.59 20 A 1 ATOM 150 O O . TRP A 0 20 . 35.387 26.031 -26.018 1.00 50.59 20 A 1 ATOM 151 C CG . TRP A 0 20 . 34.335 27.127 -30.013 1.00 50.59 20 A 1 ATOM 152 C CD1 . TRP A 0 20 . 33.274 27.550 -30.743 1.00 50.59 20 A 1 ATOM 153 C CD2 . TRP A 0 20 . 35.294 26.603 -30.979 1.00 50.59 20 A 1 ATOM 154 C CE2 . TRP A 0 20 . 34.739 26.725 -32.287 1.00 50.59 20 A 1 ATOM 155 C CE3 . TRP A 0 20 . 36.586 26.044 -30.874 1.00 50.59 20 A 1 ATOM 156 N NE1 . TRP A 0 20 . 33.505 27.304 -32.084 1.00 50.59 20 A 1 ATOM 157 C CH2 . TRP A 0 20 . 36.712 25.757 -33.297 1.00 50.59 20 A 1 ATOM 158 C CZ2 . TRP A 0 20 . 35.427 26.309 -33.435 1.00 50.59 20 A 1 ATOM 159 C CZ3 . TRP A 0 20 . 37.289 25.627 -32.020 1.00 50.59 20 A 1 ATOM 160 N N . ASN A 0 21 . 33.293 25.623 -25.361 1.00 49.81 21 A 1 ATOM 161 C CA . ASN A 0 21 . 33.560 25.283 -23.969 1.00 49.81 21 A 1 ATOM 162 C C . ASN A 0 21 . 32.460 24.338 -23.453 1.00 49.81 21 A 1 ATOM 163 C CB . ASN A 0 21 . 33.689 26.581 -23.139 1.00 49.81 21 A 1 ATOM 164 O O . ASN A 0 21 . 31.572 24.742 -22.711 1.00 49.81 21 A 1 ATOM 165 C CG . ASN A 0 21 . 35.138 26.950 -22.892 1.00 49.81 21 A 1 ATOM 166 N ND2 . ASN A 0 21 . 35.517 28.187 -23.105 1.00 49.81 21 A 1 ATOM 167 O OD1 . ASN A 0 21 . 35.937 26.138 -22.459 1.00 49.81 21 A 1 ATOM 168 N N . GLY A 0 22 . 32.492 23.072 -23.889 1.00 42.41 22 A 1 ATOM 169 C CA . GLY A 0 22 . 31.902 21.926 -23.170 1.00 42.41 22 A 1 ATOM 170 C C . GLY A 0 22 . 30.433 22.030 -22.726 1.00 42.41 22 A 1 ATOM 171 O O . GLY A 0 22 . 30.050 21.402 -21.736 1.00 42.41 22 A 1 ATOM 172 N N . GLY A 0 23 . 29.614 22.823 -23.421 1.00 46.82 23 A 1 ATOM 173 C CA . GLY A 0 23 . 28.224 23.101 -23.071 1.00 46.82 23 A 1 ATOM 174 C C . GLY A 0 23 . 27.331 21.904 -23.361 1.00 46.82 23 A 1 ATOM 175 O O . GLY A 0 23 . 26.950 21.650 -24.499 1.00 46.82 23 A 1 ATOM 176 N N . ARG A 0 24 . 27.024 21.152 -22.308 1.00 50.96 24 A 1 ATOM 177 C CA . ARG A 0 24 . 26.176 19.964 -22.307 1.00 50.96 24 A 1 ATOM 178 C C . ARG A 0 24 . 24.876 20.186 -23.102 1.00 50.96 24 A 1 ATOM 179 C CB . ARG A 0 24 . 25.843 19.621 -20.847 1.00 50.96 24 A 1 ATOM 180 O O . ARG A 0 24 . 23.965 20.860 -22.627 1.00 50.96 24 A 1 ATOM 181 C CG . ARG A 0 24 . 27.026 19.406 -19.893 1.00 50.96 24 A 1 ATOM 182 C CD . ARG A 0 24 . 26.493 19.246 -18.460 1.00 50.96 24 A 1 ATOM 183 N NE . ARG A 0 24 . 27.580 18.949 -17.508 1.00 50.96 24 A 1 ATOM 184 N NH1 . ARG A 0 24 . 26.317 18.940 -15.585 1.00 50.96 24 A 1 ATOM 185 N NH2 . ARG A 0 24 . 28.500 18.496 -15.478 1.00 50.96 24 A 1 ATOM 186 C CZ . ARG A 0 24 . 27.459 18.798 -16.200 1.00 50.96 24 A 1 ATOM 187 N N . CYS A 0 25 . 24.741 19.529 -24.251 1.00 47.27 25 A 1 ATOM 188 C CA . CYS A 0 25 . 23.429 19.200 -24.803 1.00 47.27 25 A 1 ATOM 189 C C . CYS A 0 25 . 22.828 18.108 -23.907 1.00 47.27 25 A 1 ATOM 190 C CB . CYS A 0 25 . 23.570 18.758 -26.268 1.00 47.27 25 A 1 ATOM 191 O O . CYS A 0 25 . 23.001 16.918 -24.161 1.00 47.27 25 A 1 ATOM 192 S SG . CYS A 0 25 . 23.997 20.184 -27.308 1.00 47.27 25 A 1 ATOM 193 N N . VAL A 0 26 . 22.218 18.499 -22.783 1.00 52.28 26 A 1 ATOM 194 C CA . VAL A 0 26 . 21.617 17.554 -21.828 1.00 52.28 26 A 1 ATOM 195 C C . VAL A 0 26 . 20.270 17.087 -22.374 1.00 52.28 26 A 1 ATOM 196 C CB . VAL A 0 26 . 21.494 18.111 -20.390 1.00 52.28 26 A 1 ATOM 197 O O . VAL A 0 26 . 19.211 17.485 -21.903 1.00 52.28 26 A 1 ATOM 198 C CG1 . VAL A 0 26 . 21.138 16.989 -19.401 1.00 52.28 26 A 1 ATOM 199 C CG2 . VAL A 0 26 . 22.797 18.712 -19.869 1.00 52.28 26 A 1 ATOM 200 N N . VAL A 0 27 . 20.313 16.202 -23.365 1.00 45.07 27 A 1 ATOM 201 C CA . VAL A 0 27 . 19.251 15.214 -23.545 1.00 45.07 27 A 1 ATOM 202 C C . VAL A 0 27 . 19.561 14.100 -22.543 1.00 45.07 27 A 1 ATOM 203 C CB . VAL A 0 27 . 19.165 14.724 -25.005 1.00 45.07 27 A 1 ATOM 204 O O . VAL A 0 27 . 20.455 13.290 -22.755 1.00 45.07 27 A 1 ATOM 205 C CG1 . VAL A 0 27 . 18.049 13.686 -25.174 1.00 45.07 27 A 1 ATOM 206 C CG2 . VAL A 0 27 . 18.862 15.893 -25.956 1.00 45.07 27 A 1 ATOM 207 N N . GLY A 0 28 . 18.885 14.115 -21.393 1.00 44.94 28 A 1 ATOM 208 C CA . GLY A 0 28 . 18.795 12.939 -20.518 1.00 44.94 28 A 1 ATOM 209 C C . GLY A 0 28 . 20.032 12.562 -19.692 1.00 44.94 28 A 1 ATOM 210 O O . GLY A 0 28 . 20.311 11.376 -19.544 1.00 44.94 28 A 1 ATOM 211 N N . SER A 0 29 . 20.761 13.519 -19.106 1.00 44.12 29 A 1 ATOM 212 C CA . SER A 0 29 . 21.896 13.194 -18.225 1.00 44.12 29 A 1 ATOM 213 C C . SER A 0 29 . 21.648 13.605 -16.774 1.00 44.12 29 A 1 ATOM 214 C CB . SER A 0 29 . 23.215 13.718 -18.802 1.00 44.12 29 A 1 ATOM 215 O O . SER A 0 29 . 21.820 14.758 -16.383 1.00 44.12 29 A 1 ATOM 216 O OG . SER A 0 29 . 24.142 12.655 -18.890 1.00 44.12 29 A 1 ATOM 217 N N . ASN A 0 30 . 21.244 12.613 -15.981 1.00 44.39 30 A 1 ATOM 218 C CA . ASN A 0 30 . 21.164 12.639 -14.525 1.00 44.39 30 A 1 ATOM 219 C C . ASN A 0 30 . 22.571 12.818 -13.936 1.00 44.39 30 A 1 ATOM 220 C CB . ASN A 0 30 . 20.532 11.313 -14.053 1.00 44.39 30 A 1 ATOM 221 O O . ASN A 0 30 . 23.259 11.842 -13.644 1.00 44.39 30 A 1 ATOM 222 C CG . ASN A 0 30 . 19.118 11.125 -14.559 1.00 44.39 30 A 1 ATOM 223 N ND2 . ASN A 0 30 . 18.904 10.282 -15.543 1.00 44.39 30 A 1 ATOM 224 O OD1 . ASN A 0 30 . 18.195 11.760 -14.092 1.00 44.39 30 A 1 ATOM 225 N N . ILE A 0 31 . 23.031 14.060 -13.789 1.00 52.43 31 A 1 ATOM 226 C CA . ILE A 0 31 . 24.318 14.348 -13.152 1.00 52.43 31 A 1 ATOM 227 C C . ILE A 0 31 . 24.053 14.887 -11.751 1.00 52.43 31 A 1 ATOM 228 C CB . ILE A 0 31 . 25.232 15.229 -14.028 1.00 52.43 31 A 1 ATOM 229 O O . ILE A 0 31 . 23.715 16.049 -11.559 1.00 52.43 31 A 1 ATOM 230 C CG1 . ILE A 0 31 . 25.515 14.507 -15.369 1.00 52.43 31 A 1 ATOM 231 C CG2 . ILE A 0 31 . 26.557 15.506 -13.284 1.00 52.43 31 A 1 ATOM 232 C CD1 . ILE A 0 31 . 26.290 15.342 -16.394 1.00 52.43 31 A 1 ATOM 233 N N . SER A 0 32 . 24.238 13.984 -10.788 1.00 39.36 32 A 1 ATOM 234 C CA . SER A 0 32 . 24.592 14.233 -9.392 1.00 39.36 32 A 1 ATOM 235 C C . SER A 0 32 . 25.293 15.583 -9.179 1.00 39.36 32 A 1 ATOM 236 C CB . SER A 0 32 . 25.533 13.083 -8.983 1.00 39.36 32 A 1 ATOM 237 O O . SER A 0 32 . 26.454 15.751 -9.552 1.00 39.36 32 A 1 ATOM 238 O OG . SER A 0 32 . 26.344 13.399 -7.869 1.00 39.36 32 A 1 ATOM 239 N N . SER A 0 33 . 24.633 16.498 -8.476 1.00 49.72 33 A 1 ATOM 240 C CA . SER A 0 33 . 25.266 17.670 -7.873 1.00 49.72 33 A 1 ATOM 241 C C . SER A 0 33 . 24.882 17.749 -6.399 1.00 49.72 33 A 1 ATOM 242 C CB . SER A 0 33 . 24.966 18.948 -8.664 1.00 49.72 33 A 1 ATOM 243 O O . SER A 0 33 . 23.890 18.358 -6.010 1.00 49.72 33 A 1 ATOM 244 O OG . SER A 0 33 . 23.594 19.062 -8.965 1.00 49.72 33 A 1 ATOM 245 N N . ARG A 0 34 . 25.709 17.101 -5.571 1.00 43.68 34 A 1 ATOM 246 C CA . ARG A 0 34 . 25.958 17.526 -4.189 1.00 43.68 34 A 1 ATOM 247 C C . ARG A 0 34 . 26.394 18.999 -4.234 1.00 43.68 34 A 1 ATOM 248 C CB . ARG A 0 34 . 27.105 16.677 -3.598 1.00 43.68 34 A 1 ATOM 249 O O . ARG A 0 34 . 27.364 19.300 -4.920 1.00 43.68 34 A 1 ATOM 250 C CG . ARG A 0 34 . 26.755 15.208 -3.314 1.00 43.68 34 A 1 ATOM 251 C CD . ARG A 0 34 . 28.018 14.444 -2.882 1.00 43.68 34 A 1 ATOM 252 N NE . ARG A 0 34 . 27.717 13.058 -2.467 1.00 43.68 34 A 1 ATOM 253 N NH1 . ARG A 0 34 . 29.867 12.238 -2.515 1.00 43.68 34 A 1 ATOM 254 N NH2 . ARG A 0 34 . 28.199 10.913 -1.862 1.00 43.68 34 A 1 ATOM 255 C CZ . ARG A 0 34 . 28.593 12.081 -2.286 1.00 43.68 34 A 1 ATOM 256 N N . GLY A 0 35 . 25.708 19.892 -3.523 1.00 46.05 35 A 1 ATOM 257 C CA . GLY A 0 35 . 26.087 21.311 -3.432 1.00 46.05 35 A 1 ATOM 258 C C . GLY A 0 35 . 24.871 22.214 -3.206 1.00 46.05 35 A 1 ATOM 259 O O . GLY A 0 35 . 24.203 22.551 -4.167 1.00 46.05 35 A 1 ATOM 260 N N . VAL A 0 36 . 24.421 22.410 -1.963 1.00 41.28 36 A 1 ATOM 261 C CA . VAL A 0 36 . 24.684 23.618 -1.142 1.00 41.28 36 A 1 ATOM 262 C C . VAL A 0 36 . 23.769 24.803 -1.511 1.00 41.28 36 A 1 ATOM 263 C CB . VAL A 0 36 . 26.178 24.024 -1.101 1.00 41.28 36 A 1 ATOM 264 O O . VAL A 0 36 . 23.896 25.383 -2.579 1.00 41.28 36 A 1 ATOM 265 C CG1 . VAL A 0 36 . 26.416 25.325 -0.318 1.00 41.28 36 A 1 ATOM 266 C CG2 . VAL A 0 36 . 27.040 22.957 -0.409 1.00 41.28 36 A 1 ATOM 267 N N . GLY A 0 37 . 22.906 25.191 -0.560 1.00 39.63 37 A 1 ATOM 268 C CA . GLY A 0 37 . 22.048 26.390 -0.590 1.00 39.63 37 A 1 ATOM 269 C C . GLY A 0 37 . 20.608 26.052 -0.993 1.00 39.63 37 A 1 ATOM 270 O O . GLY A 0 37 . 20.381 25.546 -2.077 1.00 39.63 37 A 1 ATOM 271 N N . GLY A 0 38 . 19.568 26.195 -0.172 1.00 38.04 38 A 1 ATOM 272 C CA . GLY A 0 38 . 19.299 27.228 0.823 1.00 38.04 38 A 1 ATOM 273 C C . GLY A 0 38 . 18.170 28.103 0.275 1.00 38.04 38 A 1 ATOM 274 O O . GLY A 0 38 . 18.436 28.981 -0.534 1.00 38.04 38 A 1 ATOM 275 N N . GLY A 0 39 . 16.919 27.859 0.682 1.00 39.73 39 A 1 ATOM 276 C CA . GLY A 0 39 . 15.814 28.757 0.333 1.00 39.73 39 A 1 ATOM 277 C C . GLY A 0 39 . 14.413 28.147 0.406 1.00 39.73 39 A 1 ATOM 278 O O . GLY A 0 39 . 13.985 27.472 -0.518 1.00 39.73 39 A 1 ATOM 279 N N . TYR A 0 40 . 13.714 28.412 1.516 1.00 39.54 40 A 1 ATOM 280 C CA . TYR A 0 40 . 12.258 28.635 1.604 1.00 39.54 40 A 1 ATOM 281 C C . TYR A 0 40 . 11.318 27.765 0.732 1.00 39.54 40 A 1 ATOM 282 C CB . TYR A 0 40 . 11.997 30.151 1.429 1.00 39.54 40 A 1 ATOM 283 O O . TYR A 0 40 . 10.743 28.228 -0.242 1.00 39.54 40 A 1 ATOM 284 C CG . TYR A 0 40 . 12.722 30.802 0.257 1.00 39.54 40 A 1 ATOM 285 C CD1 . TYR A 0 40 . 13.972 31.423 0.461 1.00 39.54 40 A 1 ATOM 286 C CD2 . TYR A 0 40 . 12.185 30.740 -1.044 1.00 39.54 40 A 1 ATOM 287 C CE1 . TYR A 0 40 . 14.711 31.909 -0.636 1.00 39.54 40 A 1 ATOM 288 C CE2 . TYR A 0 40 . 12.916 31.228 -2.140 1.00 39.54 40 A 1 ATOM 289 O OH . TYR A 0 40 . 14.891 32.257 -3.008 1.00 39.54 40 A 1 ATOM 290 C CZ . TYR A 0 40 . 14.186 31.800 -1.942 1.00 39.54 40 A 1 ATOM 291 N N . ALA A 0 41 . 11.014 26.538 1.157 1.00 46.10 41 A 1 ATOM 292 C CA . ALA A 0 41 . 9.766 25.877 0.751 1.00 46.10 41 A 1 ATOM 293 C C . ALA A 0 41 . 9.241 25.013 1.899 1.00 46.10 41 A 1 ATOM 294 C CB . ALA A 0 41 . 9.957 25.114 -0.564 1.00 46.10 41 A 1 ATOM 295 O O . ALA A 0 41 . 9.364 23.791 1.919 1.00 46.10 41 A 1 ATOM 296 N N . GLN A 0 42 . 8.723 25.694 2.918 1.00 43.29 42 A 1 ATOM 297 C CA . GLN A 0 42 . 7.984 25.072 4.004 1.00 43.29 42 A 1 ATOM 298 C C . GLN A 0 42 . 6.524 24.990 3.559 1.00 43.29 42 A 1 ATOM 299 C CB . GLN A 0 42 . 8.162 25.863 5.316 1.00 43.29 42 A 1 ATOM 300 O O . GLN A 0 42 . 5.961 25.994 3.138 1.00 43.29 42 A 1 ATOM 301 C CG . GLN A 0 42 . 9.637 26.250 5.552 1.00 43.29 42 A 1 ATOM 302 C CD . GLN A 0 42 . 9.968 26.666 6.980 1.00 43.29 42 A 1 ATOM 303 N NE2 . GLN A 0 42 . 11.065 27.359 7.189 1.00 43.29 42 A 1 ATOM 304 O OE1 . GLN A 0 42 . 9.290 26.349 7.937 1.00 43.29 42 A 1 ATOM 305 N N . MET A 0 43 . 5.934 23.806 3.701 1.00 41.95 43 A 1 ATOM 306 C CA . MET A 0 43 . 4.489 23.559 3.679 1.00 41.95 43 A 1 ATOM 307 C C . MET A 0 43 . 3.788 23.620 2.316 1.00 41.95 43 A 1 ATOM 308 C CB . MET A 0 43 . 3.775 24.462 4.705 1.00 41.95 43 A 1 ATOM 309 O O . MET A 0 43 . 3.317 24.668 1.904 1.00 41.95 43 A 1 ATOM 310 C CG . MET A 0 43 . 4.411 24.364 6.091 1.00 41.95 43 A 1 ATOM 311 S SD . MET A 0 43 . 3.363 25.011 7.408 1.00 41.95 43 A 1 ATOM 312 C CE . MET A 0 43 . 4.072 24.084 8.791 1.00 41.95 43 A 1 ATOM 313 N N . TYR A 0 44 . 3.622 22.456 1.681 1.00 38.19 44 A 1 ATOM 314 C CA . TYR A 0 44 . 2.339 21.973 1.138 1.00 38.19 44 A 1 ATOM 315 C C . TYR A 0 44 . 2.572 20.584 0.531 1.00 38.19 44 A 1 ATOM 316 C CB . TYR A 0 44 . 1.706 22.914 0.083 1.00 38.19 44 A 1 ATOM 317 O O . TYR A 0 44 . 3.123 20.459 -0.557 1.00 38.19 44 A 1 ATOM 318 C CG . TYR A 0 44 . 0.307 23.374 0.458 1.00 38.19 44 A 1 ATOM 319 C CD1 . TYR A 0 44 . -0.812 22.704 -0.073 1.00 38.19 44 A 1 ATOM 320 C CD2 . TYR A 0 44 . 0.117 24.470 1.324 1.00 38.19 44 A 1 ATOM 321 C CE1 . TYR A 0 44 . -2.113 23.139 0.246 1.00 38.19 44 A 1 ATOM 322 C CE2 . TYR A 0 44 . -1.181 24.904 1.651 1.00 38.19 44 A 1 ATOM 323 O OH . TYR A 0 44 . -3.557 24.668 1.392 1.00 38.19 44 A 1 ATOM 324 C CZ . TYR A 0 44 . -2.300 24.242 1.103 1.00 38.19 44 A 1 ATOM 325 N N . GLY A 0 45 . 2.217 19.517 1.243 1.00 44.81 45 A 1 ATOM 326 C CA . GLY A 0 45 . 2.376 18.171 0.695 1.00 44.81 45 A 1 ATOM 327 C C . GLY A 0 45 . 2.382 17.112 1.773 1.00 44.81 45 A 1 ATOM 328 O O . GLY A 0 45 . 3.436 16.613 2.150 1.00 44.81 45 A 1 ATOM 329 N N . GLN A 0 46 . 1.191 16.806 2.276 1.00 39.00 46 A 1 ATOM 330 C CA . GLN A 0 46 . 0.885 15.573 2.988 1.00 39.00 46 A 1 ATOM 331 C C . GLN A 0 46 . 1.672 14.412 2.362 1.00 39.00 46 A 1 ATOM 332 C CB . GLN A 0 46 . -0.633 15.400 2.836 1.00 39.00 46 A 1 ATOM 333 O O . GLN A 0 46 . 1.477 14.075 1.195 1.00 39.00 46 A 1 ATOM 334 C CG . GLN A 0 46 . -1.265 14.261 3.641 1.00 39.00 46 A 1 ATOM 335 C CD . GLN A 0 46 . -2.788 14.299 3.503 1.00 39.00 46 A 1 ATOM 336 N NE2 . GLN A 0 46 . -3.530 13.963 4.533 1.00 39.00 46 A 1 ATOM 337 O OE1 . GLN A 0 46 . -3.339 14.654 2.475 1.00 39.00 46 A 1 ATOM 338 N N . THR A 0 47 . 2.620 13.857 3.116 1.00 47.52 47 A 1 ATOM 339 C CA . THR A 0 47 . 3.444 12.731 2.679 1.00 47.52 47 A 1 ATOM 340 C C . THR A 0 47 . 2.531 11.541 2.411 1.00 47.52 47 A 1 ATOM 341 C CB . THR A 0 47 . 4.499 12.375 3.739 1.00 47.52 47 A 1 ATOM 342 O O . THR A 0 47 . 2.046 10.895 3.338 1.00 47.52 47 A 1 ATOM 343 C CG2 . THR A 0 47 . 5.636 13.394 3.780 1.00 47.52 47 A 1 ATOM 344 O OG1 . THR A 0 47 . 3.913 12.348 5.020 1.00 47.52 47 A 1 ATOM 345 N N . THR A 0 48 . 2.273 11.270 1.135 1.00 48.30 48 A 1 ATOM 346 C CA . THR A 0 48 . 1.609 10.057 0.661 1.00 48.30 48 A 1 ATOM 347 C C . THR A 0 48 . 2.343 8.824 1.193 1.00 48.30 48 A 1 ATOM 348 C CB . THR A 0 48 . 1.621 10.013 -0.876 1.00 48.30 48 A 1 ATOM 349 O O . THR A 0 48 . 3.577 8.790 1.110 1.00 48.30 48 A 1 ATOM 350 C CG2 . THR A 0 48 . 0.525 10.891 -1.471 1.00 48.30 48 A 1 ATOM 351 O OG1 . THR A 0 48 . 2.859 10.484 -1.368 1.00 48.30 48 A 1 ATOM 352 N N . PRO A 0 49 . 1.638 7.793 1.697 1.00 43.16 49 A 1 ATOM 353 C CA . PRO A 0 49 . 2.255 6.562 2.170 1.00 43.16 49 A 1 ATOM 354 C C . PRO A 0 49 . 2.696 5.713 0.971 1.00 43.16 49 A 1 ATOM 355 C CB . PRO A 0 49 . 1.199 5.897 3.060 1.00 43.16 49 A 1 ATOM 356 O O . PRO A 0 49 . 2.084 4.712 0.629 1.00 43.16 49 A 1 ATOM 357 C CG . PRO A 0 49 . -0.115 6.321 2.407 1.00 43.16 49 A 1 ATOM 358 C CD . PRO A 0 49 . 0.191 7.718 1.861 1.00 43.16 49 A 1 ATOM 359 N N . TYR A 0 50 . 3.772 6.139 0.315 1.00 44.38 50 A 1 ATOM 360 C CA . TYR A 0 50 . 4.514 5.358 -0.672 1.00 44.38 50 A 1 ATOM 361 C C . TYR A 0 50 . 6.015 5.514 -0.425 1.00 44.38 50 A 1 ATOM 362 C CB . TYR A 0 50 . 4.043 5.663 -2.105 1.00 44.38 50 A 1 ATOM 363 O O . TYR A 0 50 . 6.813 5.772 -1.320 1.00 44.38 50 A 1 ATOM 364 C CG . TYR A 0 50 . 2.986 4.684 -2.566 1.00 44.38 50 A 1 ATOM 365 C CD1 . TYR A 0 50 . 3.388 3.411 -3.013 1.00 44.38 50 A 1 ATOM 366 C CD2 . TYR A 0 50 . 1.618 5.015 -2.500 1.00 44.38 50 A 1 ATOM 367 C CE1 . TYR A 0 50 . 2.426 2.460 -3.381 1.00 44.38 50 A 1 ATOM 368 C CE2 . TYR A 0 50 . 0.647 4.063 -2.867 1.00 44.38 50 A 1 ATOM 369 O OH . TYR A 0 50 . 0.184 1.808 -3.603 1.00 44.38 50 A 1 ATOM 370 C CZ . TYR A 0 50 . 1.064 2.781 -3.293 1.00 44.38 50 A 1 ATOM 371 N N . MET A 0 51 . 6.426 5.313 0.828 1.00 45.73 51 A 1 ATOM 372 C CA . MET A 0 51 . 7.788 4.860 1.089 1.00 45.73 51 A 1 ATOM 373 C C . MET A 0 51 . 7.836 3.380 0.706 1.00 45.73 51 A 1 ATOM 374 C CB . MET A 0 51 . 8.208 5.142 2.538 1.00 45.73 51 A 1 ATOM 375 O O . MET A 0 51 . 7.629 2.496 1.533 1.00 45.73 51 A 1 ATOM 376 C CG . MET A 0 51 . 8.207 6.648 2.824 1.00 45.73 51 A 1 ATOM 377 S SD . MET A 0 51 . 8.889 7.088 4.442 1.00 45.73 51 A 1 ATOM 378 C CE . MET A 0 51 . 8.567 8.872 4.428 1.00 45.73 51 A 1 ATOM 379 N N . SER A 0 52 . 8.040 3.126 -0.591 1.00 46.59 52 A 1 ATOM 380 C CA . SER A 0 52 . 8.503 1.832 -1.091 1.00 46.59 52 A 1 ATOM 381 C C . SER A 0 52 . 9.653 1.372 -0.199 1.00 46.59 52 A 1 ATOM 382 C CB . SER A 0 52 . 8.986 1.980 -2.537 1.00 46.59 52 A 1 ATOM 383 O O . SER A 0 52 . 10.598 2.131 0.018 1.00 46.59 52 A 1 ATOM 384 O OG . SER A 0 52 . 9.564 0.773 -2.991 1.00 46.59 52 A 1 ATOM 385 N N . ASN A 0 53 . 9.523 0.172 0.368 1.00 43.71 53 A 1 ATOM 386 C CA . ASN A 0 53 . 10.470 -0.452 1.286 1.00 43.71 53 A 1 ATOM 387 C C . ASN A 0 53 . 11.933 -0.222 0.868 1.00 43.71 53 A 1 ATOM 388 C CB . ASN A 0 53 . 10.179 -1.968 1.299 1.00 43.71 53 A 1 ATOM 389 O O . ASN A 0 53 . 12.463 -0.999 0.084 1.00 43.71 53 A 1 ATOM 390 C CG . ASN A 0 53 . 8.910 -2.333 2.032 1.00 43.71 53 A 1 ATOM 391 N ND2 . ASN A 0 53 . 7.996 -3.028 1.397 1.00 43.71 53 A 1 ATOM 392 O OD1 . ASN A 0 53 . 8.734 -2.011 3.190 1.00 43.71 53 A 1 ATOM 393 N N . GLY A 0 54 . 12.582 0.820 1.401 1.00 45.35 54 A 1 ATOM 394 C CA . GLY A 0 54 . 14.031 0.970 1.606 1.00 45.35 54 A 1 ATOM 395 C C . GLY A 0 54 . 15.012 0.636 0.468 1.00 45.35 54 A 1 ATOM 396 O O . GLY A 0 54 . 16.214 0.593 0.718 1.00 45.35 54 A 1 ATOM 397 N N . ARG A 0 55 . 14.564 0.387 -0.764 1.00 43.78 55 A 1 ATOM 398 C CA . ARG A 0 55 . 15.387 0.028 -1.926 1.00 43.78 55 A 1 ATOM 399 C C . ARG A 0 55 . 14.873 0.824 -3.118 1.00 43.78 55 A 1 ATOM 400 C CB . ARG A 0 55 . 15.346 -1.495 -2.166 1.00 43.78 55 A 1 ATOM 401 O O . ARG A 0 55 . 13.929 0.420 -3.785 1.00 43.78 55 A 1 ATOM 402 C CG . ARG A 0 55 . 16.277 -2.258 -1.210 1.00 43.78 55 A 1 ATOM 403 C CD . ARG A 0 55 . 16.311 -3.751 -1.563 1.00 43.78 55 A 1 ATOM 404 N NE . ARG A 0 55 . 17.357 -4.472 -0.807 1.00 43.78 55 A 1 ATOM 405 N NH1 . ARG A 0 55 . 17.190 -6.481 -1.906 1.00 43.78 55 A 1 ATOM 406 N NH2 . ARG A 0 55 . 18.717 -6.232 -0.301 1.00 43.78 55 A 1 ATOM 407 C CZ . ARG A 0 55 . 17.748 -5.720 -1.007 1.00 43.78 55 A 1 ATOM 408 N N . GLY A 0 56 . 15.471 1.997 -3.316 1.00 43.14 56 A 1 ATOM 409 C CA . GLY A 0 56 . 15.061 3.028 -4.270 1.00 43.14 56 A 1 ATOM 410 C C . GLY A 0 56 . 15.126 2.611 -5.738 1.00 43.14 56 A 1 ATOM 411 O O . GLY A 0 56 . 16.004 3.055 -6.472 1.00 43.14 56 A 1 ATOM 412 N N . VAL A 0 57 . 14.165 1.805 -6.181 1.00 43.61 57 A 1 ATOM 413 C CA . VAL A 0 57 . 13.829 1.685 -7.599 1.00 43.61 57 A 1 ATOM 414 C C . VAL A 0 57 . 12.885 2.835 -7.922 1.00 43.61 57 A 1 ATOM 415 C CB . VAL A 0 57 . 13.223 0.312 -7.941 1.00 43.61 57 A 1 ATOM 416 O O . VAL A 0 57 . 11.753 2.875 -7.442 1.00 43.61 57 A 1 ATOM 417 C CG1 . VAL A 0 57 . 12.958 0.199 -9.448 1.00 43.61 57 A 1 ATOM 418 C CG2 . VAL A 0 57 . 14.182 -0.819 -7.541 1.00 43.61 57 A 1 ATOM 419 N N . ALA A 0 58 . 13.379 3.801 -8.693 1.00 47.09 58 A 1 ATOM 420 C CA . ALA A 0 58 . 12.557 4.851 -9.267 1.00 47.09 58 A 1 ATOM 421 C C . ALA A 0 58 . 11.556 4.195 -10.226 1.00 47.09 58 A 1 ATOM 422 C CB . ALA A 0 58 . 13.475 5.865 -9.966 1.00 47.09 58 A 1 ATOM 423 O O . ALA A 0 58 . 11.914 3.825 -11.343 1.00 47.09 58 A 1 ATOM 424 N N . LEU A 0 59 . 10.319 3.998 -9.773 1.00 50.57 59 A 1 ATOM 425 C CA . LEU A 0 59 . 9.223 3.606 -10.648 1.00 50.57 59 A 1 ATOM 426 C C . LEU A 0 59 . 8.859 4.832 -11.491 1.00 50.57 59 A 1 ATOM 427 C CB . LEU A 0 59 . 8.050 3.029 -9.831 1.00 50.57 59 A 1 ATOM 428 O O . LEU A 0 59 . 8.012 5.643 -11.120 1.00 50.57 59 A 1 ATOM 429 C CG . LEU A 0 59 . 8.363 1.694 -9.124 1.00 50.57 59 A 1 ATOM 430 C CD1 . LEU A 0 59 . 7.194 1.299 -8.222 1.00 50.57 59 A 1 ATOM 431 C CD2 . LEU A 0 59 . 8.615 0.544 -10.104 1.00 50.57 59 A 1 ATOM 432 N N . GLY A 0 60 . 9.576 4.985 -12.607 1.00 44.87 60 A 1 ATOM 433 C CA . GLY A 0 60 . 9.000 5.604 -13.792 1.00 44.87 60 A 1 ATOM 434 C C . GLY A 0 60 . 7.695 4.875 -14.106 1.00 44.87 60 A 1 ATOM 435 O O . GLY A 0 60 . 7.632 3.656 -13.979 1.00 44.87 60 A 1 ATOM 436 N N . ASP A 0 61 . 6.667 5.647 -14.438 1.00 49.20 61 A 1 ATOM 437 C CA . ASP A 0 61 . 5.285 5.208 -14.650 1.00 49.20 61 A 1 ATOM 438 C C . ASP A 0 61 . 4.556 4.850 -13.344 1.00 49.20 61 A 1 ATOM 439 C CB . ASP A 0 61 . 5.206 4.153 -15.769 1.00 49.20 61 A 1 ATOM 440 O O . ASP A 0 61 . 4.397 3.691 -12.975 1.00 49.20 61 A 1 ATOM 441 C CG . ASP A 0 61 . 6.003 4.589 -17.006 1.00 49.20 61 A 1 ATOM 442 O OD1 . ASP A 0 61 . 5.943 5.802 -17.327 1.00 49.20 61 A 1 ATOM 443 O OD2 . ASP A 0 61 . 6.662 3.724 -17.622 1.00 49.20 61 A 1 ATOM 444 N N . GLY A 0 62 . 4.094 5.893 -12.640 1.00 57.55 62 A 1 ATOM 445 C CA . GLY A 0 62 . 3.404 5.868 -11.340 1.00 57.55 62 A 1 ATOM 446 C C . GLY A 0 62 . 2.030 5.186 -11.305 1.00 57.55 62 A 1 ATOM 447 O O . GLY A 0 62 . 1.130 5.651 -10.606 1.00 57.55 62 A 1 ATOM 448 N N . TYR A 0 63 . 1.857 4.091 -12.039 1.00 53.11 63 A 1 ATOM 449 C CA . TYR A 0 63 . 0.710 3.208 -11.921 1.00 53.11 63 A 1 ATOM 450 C C . TYR A 0 63 . 1.062 2.029 -11.026 1.00 53.11 63 A 1 ATOM 451 C CB . TYR A 0 63 . 0.227 2.756 -13.301 1.00 53.11 63 A 1 ATOM 452 O O . TYR A 0 63 . 2.085 1.363 -11.184 1.00 53.11 63 A 1 ATOM 453 C CG . TYR A 0 63 . -0.206 3.916 -14.171 1.00 53.11 63 A 1 ATOM 454 C CD1 . TYR A 0 63 . -1.448 4.543 -13.945 1.00 53.11 63 A 1 ATOM 455 C CD2 . TYR A 0 63 . 0.658 4.400 -15.171 1.00 53.11 63 A 1 ATOM 456 C CE1 . TYR A 0 63 . -1.829 5.651 -14.726 1.00 53.11 63 A 1 ATOM 457 C CE2 . TYR A 0 63 . 0.281 5.507 -15.955 1.00 53.11 63 A 1 ATOM 458 O OH . TYR A 0 63 . -1.334 7.200 -16.486 1.00 53.11 63 A 1 ATOM 459 C CZ . TYR A 0 63 . -0.966 6.132 -15.732 1.00 53.11 63 A 1 ATOM 460 N N . VAL A 0 64 . 0.170 1.744 -10.088 1.00 62.15 64 A 1 ATOM 461 C CA . VAL A 0 64 . 0.224 0.523 -9.295 1.00 62.15 64 A 1 ATOM 462 C C . VAL A 0 64 . -0.160 -0.633 -10.212 1.00 62.15 64 A 1 ATOM 463 C CB . VAL A 0 64 . -0.695 0.659 -8.075 1.00 62.15 64 A 1 ATOM 464 O O . VAL A 0 64 . -1.328 -0.815 -10.539 1.00 62.15 64 A 1 ATOM 465 C CG1 . VAL A 0 64 . -0.695 -0.622 -7.249 1.00 62.15 64 A 1 ATOM 466 C CG2 . VAL A 0 64 . -0.186 1.805 -7.192 1.00 62.15 64 A 1 ATOM 467 N N . THR A 0 65 . 0.838 -1.378 -10.680 1.00 63.48 65 A 1 ATOM 468 C CA . THR A 0 65 . 0.648 -2.540 -11.566 1.00 63.48 65 A 1 ATOM 469 C C . THR A 0 65 . 0.373 -3.830 -10.796 1.00 63.48 65 A 1 ATOM 470 C CB . THR A 0 65 . 1.870 -2.730 -12.473 1.00 63.48 65 A 1 ATOM 471 O O . THR A 0 65 . -0.090 -4.811 -11.374 1.00 63.48 65 A 1 ATOM 472 C CG2 . THR A 0 65 . 2.026 -1.581 -13.469 1.00 63.48 65 A 1 ATOM 473 O OG1 . THR A 0 65 . 3.050 -2.770 -11.702 1.00 63.48 65 A 1 ATOM 474 N N . ASP A 0 66 . 0.632 -3.830 -9.488 1.00 66.71 66 A 1 ATOM 475 C CA . ASP A 0 66 . 0.424 -4.974 -8.610 1.00 66.71 66 A 1 ATOM 476 C C . ASP A 0 66 . -0.993 -4.943 -7.994 1.00 66.71 66 A 1 ATOM 477 C CB . ASP A 0 66 . 1.541 -4.987 -7.559 1.00 66.71 66 A 1 ATOM 478 O O . ASP A 0 66 . -1.310 -4.027 -7.224 1.00 66.71 66 A 1 ATOM 479 C CG . ASP A 0 66 . 1.452 -6.136 -6.553 1.00 66.71 66 A 1 ATOM 480 O OD1 . ASP A 0 66 . 0.492 -6.937 -6.627 1.00 66.71 66 A 1 ATOM 481 O OD2 . ASP A 0 66 . 2.331 -6.163 -5.663 1.00 66.71 66 A 1 ATOM 482 N N . PRO A 0 67 . -1.859 -5.939 -8.270 1.00 65.45 67 A 1 ATOM 483 C CA . PRO A 0 67 . -3.207 -6.002 -7.705 1.00 65.45 67 A 1 ATOM 484 C C . PRO A 0 67 . -3.222 -6.051 -6.169 1.00 65.45 67 A 1 ATOM 485 C CB . PRO A 0 67 . -3.840 -7.257 -8.320 1.00 65.45 67 A 1 ATOM 486 O O . PRO A 0 67 . -4.180 -5.572 -5.558 1.00 65.45 67 A 1 ATOM 487 C CG . PRO A 0 67 . -2.646 -8.137 -8.682 1.00 65.45 67 A 1 ATOM 488 C CD . PRO A 0 67 . -1.588 -7.118 -9.081 1.00 65.45 67 A 1 ATOM 489 N N . TYR A 0 68 . -2.170 -6.565 -5.522 1.00 67.19 68 A 1 ATOM 490 C CA . TYR A 0 68 . -2.068 -6.574 -4.058 1.00 67.19 68 A 1 ATOM 491 C C . TYR A 0 68 . -1.799 -5.180 -3.492 1.00 67.19 68 A 1 ATOM 492 C CB . TYR A 0 68 . -0.974 -7.550 -3.616 1.00 67.19 68 A 1 ATOM 493 O O . TYR A 0 68 . -2.367 -4.810 -2.463 1.00 67.19 68 A 1 ATOM 494 C CG . TYR A 0 68 . -1.322 -8.996 -3.896 1.00 67.19 68 A 1 ATOM 495 C CD1 . TYR A 0 68 . -2.187 -9.679 -3.020 1.00 67.19 68 A 1 ATOM 496 C CD2 . TYR A 0 68 . -0.799 -9.650 -5.027 1.00 67.19 68 A 1 ATOM 497 C CE1 . TYR A 0 68 . -2.529 -11.021 -3.271 1.00 67.19 68 A 1 ATOM 498 C CE2 . TYR A 0 68 . -1.140 -10.992 -5.284 1.00 67.19 68 A 1 ATOM 499 O OH . TYR A 0 68 . -2.325 -12.976 -4.646 1.00 67.19 68 A 1 ATOM 500 C CZ . TYR A 0 68 . -2.003 -11.679 -4.405 1.00 67.19 68 A 1 ATOM 501 N N . GLN A 0 69 . -0.994 -4.379 -4.190 1.00 66.90 69 A 1 ATOM 502 C CA . GLN A 0 69 . -0.767 -2.978 -3.838 1.00 66.90 69 A 1 ATOM 503 C C . GLN A 0 69 . -2.011 -2.130 -4.112 1.00 66.90 69 A 1 ATOM 504 C CB . GLN A 0 69 . 0.430 -2.437 -4.618 1.00 66.90 69 A 1 ATOM 505 O O . GLN A 0 69 . -2.351 -1.240 -3.341 1.00 66.90 69 A 1 ATOM 506 C CG . GLN A 0 69 . 1.751 -3.052 -4.156 1.00 66.90 69 A 1 ATOM 507 C CD . GLN A 0 69 . 2.923 -2.594 -5.015 1.00 66.90 69 A 1 ATOM 508 N NE2 . GLN A 0 69 . 3.898 -3.446 -5.216 1.00 66.90 69 A 1 ATOM 509 O OE1 . GLN A 0 69 . 2.984 -1.485 -5.520 1.00 66.90 69 A 1 ATOM 510 N N . MET A 0 70 . -2.762 -2.430 -5.171 1.00 65.23 70 A 1 ATOM 511 C CA . MET A 0 70 . -4.025 -1.735 -5.419 1.00 65.23 70 A 1 ATOM 512 C C . MET A 0 70 . -5.059 -2.057 -4.328 1.00 65.23 70 A 1 ATOM 513 C CB . MET A 0 70 . -4.522 -2.092 -6.822 1.00 65.23 70 A 1 ATOM 514 O O . MET A 0 70 . -5.781 -1.174 -3.863 1.00 65.23 70 A 1 ATOM 515 C CG . MET A 0 70 . -5.563 -1.078 -7.293 1.00 65.23 70 A 1 ATOM 516 S SD . MET A 0 70 . -6.153 -1.393 -8.974 1.00 65.23 70 A 1 ATOM 517 C CE . MET A 0 70 . -7.069 0.142 -9.265 1.00 65.23 70 A 1 ATOM 518 N N . ALA A 0 71 . -5.102 -3.308 -3.863 1.00 64.20 71 A 1 ATOM 519 C CA . ALA A 0 71 . -5.969 -3.735 -2.769 1.00 64.20 71 A 1 ATOM 520 C C . ALA A 0 71 . -5.585 -3.115 -1.411 1.00 64.20 71 A 1 ATOM 521 C CB . ALA A 0 71 . -5.961 -5.264 -2.727 1.00 64.20 71 A 1 ATOM 522 O O . ALA A 0 71 . -6.481 -2.795 -0.628 1.00 64.20 71 A 1 ATOM 523 N N . SER A 0 72 . -4.295 -2.897 -1.120 1.00 65.56 72 A 1 ATOM 524 C CA . SER A 0 72 . -3.885 -2.183 0.102 1.00 65.56 72 A 1 ATOM 525 C C . SER A 0 72 . -4.319 -0.720 0.081 1.00 65.56 72 A 1 ATOM 526 C CB . SER A 0 72 . -2.375 -2.257 0.370 1.00 65.56 72 A 1 ATOM 527 O O . SER A 0 72 . -4.863 -0.250 1.080 1.00 65.56 72 A 1 ATOM 528 O OG . SER A 0 72 . -1.629 -1.914 -0.764 1.00 65.56 72 A 1 ATOM 529 N N . ILE A 0 73 . -4.158 -0.017 -1.046 1.00 66.20 73 A 1 ATOM 530 C CA . ILE A 0 73 . -4.621 1.376 -1.181 1.00 66.20 73 A 1 ATOM 531 C C . ILE A 0 73 . -6.141 1.447 -1.043 1.00 66.20 73 A 1 ATOM 532 C CB . ILE A 0 73 . -4.237 1.981 -2.541 1.00 66.20 73 A 1 ATOM 533 O O . ILE A 0 73 . -6.654 2.287 -0.310 1.00 66.20 73 A 1 ATOM 534 C CG1 . ILE A 0 73 . -2.738 1.924 -2.849 1.00 66.20 73 A 1 ATOM 535 C CG2 . ILE A 0 73 . -4.617 3.471 -2.624 1.00 66.20 73 A 1 ATOM 536 C CD1 . ILE A 0 73 . -2.536 2.045 -4.365 1.00 66.20 73 A 1 ATOM 537 N N . ASN A 0 74 . -6.874 0.548 -1.709 1.00 63.89 74 A 1 ATOM 538 C CA . ASN A 0 74 . -8.334 0.514 -1.631 1.00 63.89 74 A 1 ATOM 539 C C . ASN A 0 74 . -8.835 0.240 -0.209 1.00 63.89 74 A 1 ATOM 540 C CB . ASN A 0 74 . -8.880 -0.521 -2.625 1.00 63.89 74 A 1 ATOM 541 O O . ASN A 0 74 . -9.850 0.804 0.183 1.00 63.89 74 A 1 ATOM 542 C CG . ASN A 0 74 . -8.929 0.010 -4.047 1.00 63.89 74 A 1 ATOM 543 N ND2 . ASN A 0 74 . -8.597 -0.796 -5.024 1.00 63.89 74 A 1 ATOM 544 O OD1 . ASN A 0 74 . -9.291 1.144 -4.304 1.00 63.89 74 A 1 ATOM 545 N N . GLN A 0 75 . -8.128 -0.561 0.593 1.00 64.69 75 A 1 ATOM 546 C CA . GLN A 0 75 . -8.468 -0.739 2.009 1.00 64.69 75 A 1 ATOM 547 C C . GLN A 0 75 . -8.152 0.497 2.857 1.00 64.69 75 A 1 ATOM 548 C CB . GLN A 0 75 . -7.761 -1.971 2.580 1.00 64.69 75 A 1 ATOM 549 O O . GLN A 0 75 . -8.960 0.860 3.709 1.00 64.69 75 A 1 ATOM 550 C CG . GLN A 0 75 . -8.464 -3.259 2.143 1.00 64.69 75 A 1 ATOM 551 C CD . GLN A 0 75 . -7.937 -4.447 2.926 1.00 64.69 75 A 1 ATOM 552 N NE2 . GLN A 0 75 . -6.893 -5.094 2.468 1.00 64.69 75 A 1 ATOM 553 O OE1 . GLN A 0 75 . -8.433 -4.808 3.977 1.00 64.69 75 A 1 ATOM 554 N N . GLN A 0 76 . -7.026 1.174 2.609 1.00 62.09 76 A 1 ATOM 555 C CA . GLN A 0 76 . -6.708 2.437 3.287 1.00 62.09 76 A 1 ATOM 556 C C . GLN A 0 76 . -7.753 3.517 2.970 1.00 62.09 76 A 1 ATOM 557 C CB . GLN A 0 76 . -5.302 2.916 2.895 1.00 62.09 76 A 1 ATOM 558 O O . GLN A 0 76 . -8.237 4.186 3.878 1.00 62.09 76 A 1 ATOM 559 C CG . GLN A 0 76 . -4.192 2.073 3.541 1.00 62.09 76 A 1 ATOM 560 C CD . GLN A 0 76 . -2.792 2.521 3.128 1.00 62.09 76 A 1 ATOM 561 N NE2 . GLN A 0 76 . -1.760 1.854 3.595 1.00 62.09 76 A 1 ATOM 562 O OE1 . GLN A 0 76 . -2.581 3.467 2.389 1.00 62.09 76 A 1 ATOM 563 N N . MET A 0 77 . -8.166 3.634 1.704 1.00 61.91 77 A 1 ATOM 564 C CA . MET A 0 77 . -9.223 4.561 1.283 1.00 61.91 77 A 1 ATOM 565 C C . MET A 0 77 . -10.612 4.122 1.766 1.00 61.91 77 A 1 ATOM 566 C CB . MET A 0 77 . -9.205 4.730 -0.244 1.00 61.91 77 A 1 ATOM 567 O O . MET A 0 77 . -11.415 4.960 2.163 1.00 61.91 77 A 1 ATOM 568 C CG . MET A 0 77 . -7.918 5.408 -0.731 1.00 61.91 77 A 1 ATOM 569 S SD . MET A 0 77 . -7.868 5.837 -2.496 1.00 61.91 77 A 1 ATOM 570 C CE . MET A 0 77 . -8.111 4.222 -3.286 1.00 61.91 77 A 1 ATOM 571 N N . GLY A 0 78 . -10.892 2.817 1.800 1.00 59.90 78 A 1 ATOM 572 C CA . GLY A 0 78 . -12.143 2.256 2.316 1.00 59.90 78 A 1 ATOM 573 C C . GLY A 0 78 . -12.346 2.510 3.810 1.00 59.90 78 A 1 ATOM 574 O O . GLY A 0 78 . -13.470 2.766 4.233 1.00 59.90 78 A 1 ATOM 575 N N . GLY A 0 79 . -11.262 2.543 4.593 1.00 58.37 79 A 1 ATOM 576 C CA . GLY A 0 79 . -11.293 2.987 5.991 1.00 58.37 79 A 1 ATOM 577 C C . GLY A 0 79 . -11.663 4.465 6.153 1.00 58.37 79 A 1 ATOM 578 O O . GLY A 0 79 . -12.235 4.836 7.173 1.00 58.37 79 A 1 ATOM 579 N N . MET A 0 80 . -11.414 5.295 5.131 1.00 55.30 80 A 1 ATOM 580 C CA . MET A 0 80 . -11.835 6.700 5.106 1.00 55.30 80 A 1 ATOM 581 C C . MET A 0 80 . -13.296 6.884 4.667 1.00 55.30 80 A 1 ATOM 582 C CB . MET A 0 80 . -10.902 7.553 4.233 1.00 55.30 80 A 1 ATOM 583 O O . MET A 0 80 . -13.882 7.911 4.979 1.00 55.30 80 A 1 ATOM 584 C CG . MET A 0 80 . -9.432 7.457 4.658 1.00 55.30 80 A 1 ATOM 585 S SD . MET A 0 80 . -8.359 8.765 3.995 1.00 55.30 80 A 1 ATOM 586 C CE . MET A 0 80 . -8.512 8.491 2.210 1.00 55.30 80 A 1 ATOM 587 N N . MET A 0 81 . -13.922 5.903 4.000 1.00 52.69 81 A 1 ATOM 588 C CA . MET A 0 81 . -15.332 6.000 3.572 1.00 52.69 81 A 1 ATOM 589 C C . MET A 0 81 . -16.343 5.864 4.723 1.00 52.69 81 A 1 ATOM 590 C CB . MET A 0 81 . -15.654 4.968 2.479 1.00 52.69 81 A 1 ATOM 591 O O . MET A 0 81 . -17.514 6.185 4.545 1.00 52.69 81 A 1 ATOM 592 C CG . MET A 0 81 . -14.889 5.220 1.175 1.00 52.69 81 A 1 ATOM 593 S SD . MET A 0 81 . -15.647 4.470 -0.298 1.00 52.69 81 A 1 ATOM 594 C CE . MET A 0 81 . -15.465 2.703 0.059 1.00 52.69 81 A 1 ATOM 595 N N . LEU A 0 82 . -15.906 5.403 5.900 1.00 54.94 82 A 1 ATOM 596 C CA . LEU A 0 82 . -16.707 5.427 7.132 1.00 54.94 82 A 1 ATOM 597 C C . LEU A 0 82 . -16.704 6.807 7.811 1.00 54.94 82 A 1 ATOM 598 C CB . LEU A 0 82 . -16.188 4.339 8.089 1.00 54.94 82 A 1 ATOM 599 O O . LEU A 0 82 . -17.475 7.028 8.742 1.00 54.94 82 A 1 ATOM 600 C CG . LEU A 0 82 . -16.554 2.910 7.652 1.00 54.94 82 A 1 ATOM 601 C CD1 . LEU A 0 82 . -15.689 1.903 8.409 1.00 54.94 82 A 1 ATOM 602 C CD2 . LEU A 0 82 . -18.024 2.584 7.938 1.00 54.94 82 A 1 ATOM 603 N N . PHE A 0 83 . -15.855 7.728 7.347 1.00 52.14 83 A 1 ATOM 604 C CA . PHE A 0 83 . -15.839 9.111 7.793 1.00 52.14 83 A 1 ATOM 605 C C . PHE A 0 83 . -16.602 9.951 6.779 1.00 52.14 83 A 1 ATOM 606 C CB . PHE A 0 83 . -14.401 9.594 8.010 1.00 52.14 83 A 1 ATOM 607 O O . PHE A 0 83 . -16.173 10.150 5.647 1.00 52.14 83 A 1 ATOM 608 C CG . PHE A 0 83 . -13.706 8.847 9.130 1.00 52.14 83 A 1 ATOM 609 C CD1 . PHE A 0 83 . -13.819 9.296 10.458 1.00 52.14 83 A 1 ATOM 610 C CD2 . PHE A 0 83 . -13.008 7.660 8.853 1.00 52.14 83 A 1 ATOM 611 C CE1 . PHE A 0 83 . -13.241 8.552 11.502 1.00 52.14 83 A 1 ATOM 612 C CE2 . PHE A 0 83 . -12.424 6.919 9.891 1.00 52.14 83 A 1 ATOM 613 C CZ . PHE A 0 83 . -12.551 7.360 11.218 1.00 52.14 83 A 1 ATOM 614 N N . GLU A 0 84 . -17.761 10.436 7.200 1.00 51.96 84 A 1 ATOM 615 C CA . GLU A 0 84 . -18.557 11.397 6.455 1.00 51.96 84 A 1 ATOM 616 C C . GLU A 0 84 . -17.731 12.686 6.250 1.00 51.96 84 A 1 ATOM 617 C CB . GLU A 0 84 . -19.839 11.615 7.266 1.00 51.96 84 A 1 ATOM 618 O O . GLU A 0 84 . -17.400 13.369 7.231 1.00 51.96 84 A 1 ATOM 619 C CG . GLU A 0 84 . -20.945 12.343 6.499 1.00 51.96 84 A 1 ATOM 620 C CD . GLU A 0 84 . -22.265 12.376 7.289 1.00 51.96 84 A 1 ATOM 621 O OE1 . GLU A 0 84 . -23.226 12.981 6.764 1.00 51.96 84 A 1 ATOM 622 O OE2 . GLU A 0 84 . -22.314 11.805 8.403 1.00 51.96 84 A 1 ATOM 623 N N . PRO A 0 85 . -17.331 13.028 5.009 1.00 50.64 85 A 1 ATOM 624 C CA . PRO A 0 85 . -16.521 14.208 4.768 1.00 50.64 85 A 1 ATOM 625 C C . PRO A 0 85 . -17.419 15.436 4.938 1.00 50.64 85 A 1 ATOM 626 C CB . PRO A 0 85 . -15.959 14.034 3.353 1.00 50.64 85 A 1 ATOM 627 O O . PRO A 0 85 . -18.201 15.769 4.053 1.00 50.64 85 A 1 ATOM 628 C CG . PRO A 0 85 . -17.028 13.206 2.639 1.00 50.64 85 A 1 ATOM 629 C CD . PRO A 0 85 . -17.644 12.357 3.754 1.00 50.64 85 A 1 ATOM 630 N N . GLY A 0 86 . -17.328 16.101 6.090 1.00 52.78 86 A 1 ATOM 631 C CA . GLY A 0 86 . -18.010 17.381 6.313 1.00 52.78 86 A 1 ATOM 632 C C . GLY A 0 86 . -18.631 17.604 7.690 1.00 52.78 86 A 1 ATOM 633 O O . GLY A 0 86 . -19.029 18.732 7.960 1.00 52.78 86 A 1 ATOM 634 N N . LEU A 0 87 . -18.687 16.597 8.574 1.00 52.18 87 A 1 ATOM 635 C CA . LEU A 0 87 . -19.300 16.748 9.909 1.00 52.18 87 A 1 ATOM 636 C C . LEU A 0 87 . -18.318 16.723 11.093 1.00 52.18 87 A 1 ATOM 637 C CB . LEU A 0 87 . -20.437 15.724 10.081 1.00 52.18 87 A 1 ATOM 638 O O . LEU A 0 87 . -18.719 17.010 12.219 1.00 52.18 87 A 1 ATOM 639 C CG . LEU A 0 87 . -21.652 15.938 9.156 1.00 52.18 87 A 1 ATOM 640 C CD1 . LEU A 0 87 . -22.719 14.909 9.503 1.00 52.18 87 A 1 ATOM 641 C CD2 . LEU A 0 87 . -22.306 17.315 9.321 1.00 52.18 87 A 1 ATOM 642 N N . SER A 0 88 . -17.028 16.446 10.875 1.00 45.73 88 A 1 ATOM 643 C CA . SER A 0 88 . -16.035 16.427 11.958 1.00 45.73 88 A 1 ATOM 644 C C . SER A 0 88 . -15.226 17.724 12.015 1.00 45.73 88 A 1 ATOM 645 C CB . SER A 0 88 . -15.137 15.190 11.873 1.00 45.73 88 A 1 ATOM 646 O O . SER A 0 88 . -14.133 17.815 11.465 1.00 45.73 88 A 1 ATOM 647 O OG . SER A 0 88 . -14.419 15.060 13.087 1.00 45.73 88 A 1 ATOM 648 N N . SER A 0 89 . -15.729 18.723 12.744 1.00 49.86 89 A 1 ATOM 649 C CA . SER A 0 89 . -14.883 19.778 13.332 1.00 49.86 89 A 1 ATOM 650 C C . SER A 0 89 . -14.119 19.282 14.571 1.00 49.86 89 A 1 ATOM 651 C CB . SER A 0 89 . -15.734 21.001 13.680 1.00 49.86 89 A 1 ATOM 652 O O . SER A 0 89 . -13.400 20.048 15.211 1.00 49.86 89 A 1 ATOM 653 O OG . SER A 0 89 . -16.714 20.662 14.644 1.00 49.86 89 A 1 ATOM 654 N N . ALA A 0 90 . -14.303 18.014 14.946 1.00 45.25 90 A 1 ATOM 655 C CA . ALA A 0 90 . -13.608 17.374 16.046 1.00 45.25 90 A 1 ATOM 656 C C . ALA A 0 90 . -12.249 16.858 15.559 1.00 45.25 90 A 1 ATOM 657 C CB . ALA A 0 90 . -14.508 16.279 16.630 1.00 45.25 90 A 1 ATOM 658 O O . ALA A 0 90 . -12.145 16.283 14.476 1.00 45.25 90 A 1 ATOM 659 N N . SER A 0 91 . -11.223 17.120 16.368 1.00 49.71 91 A 1 ATOM 660 C CA . SER A 0 91 . -9.822 16.719 16.209 1.00 49.71 91 A 1 ATOM 661 C C . SER A 0 91 . -9.638 15.427 15.409 1.00 49.71 91 A 1 ATOM 662 C CB . SER A 0 91 . -9.254 16.487 17.617 1.00 49.71 91 A 1 ATOM 663 O O . SER A 0 91 . -10.292 14.437 15.738 1.00 49.71 91 A 1 ATOM 664 O OG . SER A 0 91 . -10.086 15.576 18.318 1.00 49.71 91 A 1 ATOM 665 N N . HIS A 0 92 . -8.714 15.429 14.439 1.00 52.62 92 A 1 ATOM 666 C CA . HIS A 0 92 . -8.140 14.222 13.839 1.00 52.62 92 A 1 ATOM 667 C C . HIS A 0 92 . -7.758 13.237 14.958 1.00 52.62 92 A 1 ATOM 668 C CB . HIS A 0 92 . -6.885 14.592 13.015 1.00 52.62 92 A 1 ATOM 669 O O . HIS A 0 92 . -6.695 13.343 15.559 1.00 52.62 92 A 1 ATOM 670 C CG . HIS A 0 92 . -7.140 15.218 11.663 1.00 52.62 92 A 1 ATOM 671 C CD2 . HIS A 0 92 . -7.430 14.544 10.506 1.00 52.62 92 A 1 ATOM 672 N ND1 . HIS A 0 92 . -6.991 16.546 11.326 1.00 52.62 92 A 1 ATOM 673 C CE1 . HIS A 0 92 . -7.205 16.667 10.005 1.00 52.62 92 A 1 ATOM 674 N NE2 . HIS A 0 92 . -7.478 15.474 9.461 1.00 52.62 92 A 1 ATOM 675 N N . GLN A 0 93 . -8.664 12.326 15.308 1.00 51.89 93 A 1 ATOM 676 C CA . GLN A 0 93 . -8.332 11.142 16.079 1.00 51.89 93 A 1 ATOM 677 C C . GLN A 0 93 . -7.644 10.248 15.057 1.00 51.89 93 A 1 ATOM 678 C CB . GLN A 0 93 . -9.607 10.511 16.667 1.00 51.89 93 A 1 ATOM 679 O O . GLN A 0 93 . -8.292 9.768 14.127 1.00 51.89 93 A 1 ATOM 680 C CG . GLN A 0 93 . -10.260 11.332 17.797 1.00 51.89 93 A 1 ATOM 681 C CD . GLN A 0 93 . -9.659 11.119 19.187 1.00 51.89 93 A 1 ATOM 682 N NE2 . GLN A 0 93 . -10.243 11.704 20.209 1.00 51.89 93 A 1 ATOM 683 O OE1 . GLN A 0 93 . -8.686 10.418 19.404 1.00 51.89 93 A 1 ATOM 684 N N . ASP A 0 94 . -6.323 10.131 15.157 1.00 51.97 94 A 1 ATOM 685 C CA . ASP A 0 94 . -5.495 9.324 14.265 1.00 51.97 94 A 1 ATOM 686 C C . ASP A 0 94 . -5.889 7.843 14.387 1.00 51.97 94 A 1 ATOM 687 C CB . ASP A 0 94 . -4.007 9.544 14.595 1.00 51.97 94 A 1 ATOM 688 O O . ASP A 0 94 . -5.294 7.066 15.138 1.00 51.97 94 A 1 ATOM 689 C CG . ASP A 0 94 . -3.499 10.941 14.225 1.00 51.97 94 A 1 ATOM 690 O OD1 . ASP A 0 94 . -3.778 11.373 13.084 1.00 51.97 94 A 1 ATOM 691 O OD2 . ASP A 0 94 . -2.802 11.540 15.073 1.00 51.97 94 A 1 ATOM 692 N N . PHE A 0 95 . -6.931 7.430 13.666 1.00 55.96 95 A 1 ATOM 693 C CA . PHE A 0 95 . -7.305 6.027 13.566 1.00 55.96 95 A 1 ATOM 694 C C . PHE A 0 95 . -6.274 5.312 12.693 1.00 55.96 95 A 1 ATOM 695 C CB . PHE A 0 95 . -8.741 5.863 13.051 1.00 55.96 95 A 1 ATOM 696 O O . PHE A 0 95 . -6.368 5.270 11.467 1.00 55.96 95 A 1 ATOM 697 C CG . PHE A 0 95 . -9.803 6.346 14.021 1.00 55.96 95 A 1 ATOM 698 C CD1 . PHE A 0 95 . -10.150 5.570 15.144 1.00 55.96 95 A 1 ATOM 699 C CD2 . PHE A 0 95 . -10.448 7.576 13.802 1.00 55.96 95 A 1 ATOM 700 C CE1 . PHE A 0 95 . -11.146 6.018 16.032 1.00 55.96 95 A 1 ATOM 701 C CE2 . PHE A 0 95 . -11.451 8.017 14.681 1.00 55.96 95 A 1 ATOM 702 C CZ . PHE A 0 95 . -11.802 7.239 15.796 1.00 55.96 95 A 1 ATOM 703 N N . VAL A 0 96 . -5.266 4.728 13.339 1.00 60.19 96 A 1 ATOM 704 C CA . VAL A 0 96 . -4.330 3.817 12.680 1.00 60.19 96 A 1 ATOM 705 C C . VAL A 0 96 . -5.008 2.458 12.535 1.00 60.19 96 A 1 ATOM 706 C CB . VAL A 0 96 . -2.986 3.719 13.425 1.00 60.19 96 A 1 ATOM 707 O O . VAL A 0 96 . -5.021 1.643 13.459 1.00 60.19 96 A 1 ATOM 708 C CG1 . VAL A 0 96 . -1.995 2.852 12.634 1.00 60.19 96 A 1 ATOM 709 C CG2 . VAL A 0 96 . -2.343 5.099 13.610 1.00 60.19 96 A 1 ATOM 710 N N . PHE A 0 97 . -5.563 2.189 11.357 1.00 63.22 97 A 1 ATOM 711 C CA . PHE A 0 97 . -6.023 0.849 11.006 1.00 63.22 97 A 1 ATOM 712 C C . PHE A 0 97 . -4.810 -0.056 10.756 1.00 63.22 97 A 1 ATOM 713 C CB . PHE A 0 97 . -6.977 0.906 9.807 1.00 63.22 97 A 1 ATOM 714 O O . PHE A 0 97 . -4.236 -0.072 9.667 1.00 63.22 97 A 1 ATOM 715 C CG . PHE A 0 97 . -8.298 1.581 10.118 1.00 63.22 97 A 1 ATOM 716 C CD1 . PHE A 0 97 . -9.319 0.866 10.774 1.00 63.22 97 A 1 ATOM 717 C CD2 . PHE A 0 97 . -8.504 2.929 9.767 1.00 63.22 97 A 1 ATOM 718 C CE1 . PHE A 0 97 . -10.544 1.494 11.068 1.00 63.22 97 A 1 ATOM 719 C CE2 . PHE A 0 97 . -9.729 3.553 10.057 1.00 63.22 97 A 1 ATOM 720 C CZ . PHE A 0 97 . -10.750 2.837 10.706 1.00 63.22 97 A 1 ATOM 721 N N . GLN A 0 98 . -4.403 -0.814 11.776 1.00 65.16 98 A 1 ATOM 722 C CA . GLN A 0 98 . -3.423 -1.885 11.607 1.00 65.16 98 A 1 ATOM 723 C C . GLN A 0 98 . -4.135 -3.142 11.089 1.00 65.16 98 A 1 ATOM 724 C CB . GLN A 0 98 . -2.672 -2.181 12.912 1.00 65.16 98 A 1 ATOM 725 O O . GLN A 0 98 . -5.088 -3.604 11.724 1.00 65.16 98 A 1 ATOM 726 C CG . GLN A 0 98 . -1.814 -0.990 13.358 1.00 65.16 98 A 1 ATOM 727 C CD . GLN A 0 98 . -0.994 -1.300 14.605 1.00 65.16 98 A 1 ATOM 728 N NE2 . GLN A 0 98 . -0.977 -0.418 15.577 1.00 65.16 98 A 1 ATOM 729 O OE1 . GLN A 0 98 . -0.356 -2.331 14.729 1.00 65.16 98 A 1 ATOM 730 N N . PRO A 0 99 . -3.701 -3.737 9.965 1.00 58.50 99 A 1 ATOM 731 C CA . PRO A 0 99 . -4.248 -5.012 9.533 1.00 58.50 99 A 1 ATOM 732 C C . PRO A 0 99 . -3.896 -6.092 10.564 1.00 58.50 99 A 1 ATOM 733 C CB . PRO A 0 99 . -3.640 -5.269 8.154 1.00 58.50 99 A 1 ATOM 734 O O . PRO A 0 99 . -2.728 -6.396 10.793 1.00 58.50 99 A 1 ATOM 735 C CG . PRO A 0 99 . -2.338 -4.467 8.156 1.00 58.50 99 A 1 ATOM 736 C CD . PRO A 0 99 . -2.641 -3.287 9.078 1.00 58.50 99 A 1 ATOM 737 N N . THR A 0 100 . -4.907 -6.717 11.169 1.00 65.00 100 A 1 ATOM 738 C CA . THR A 0 100 . -4.732 -7.746 12.214 1.00 65.00 100 A 1 ATOM 739 C C . THR A 0 100 . -4.091 -9.042 11.711 1.00 65.00 100 A 1 ATOM 740 C CB . THR A 0 100 . -6.077 -8.074 12.889 1.00 65.00 100 A 1 ATOM 741 O O . THR A 0 100 . -3.744 -9.903 12.516 1.00 65.00 100 A 1 ATOM 742 C CG2 . THR A 0 100 . -6.466 -7.017 13.919 1.00 65.00 100 A 1 ATOM 743 O OG1 . THR A 0 100 . -7.122 -8.124 11.940 1.00 65.00 100 A 1 ATOM 744 N N . LYS A 0 101 . -3.940 -9.209 10.389 1.00 61.26 101 A 1 ATOM 745 C CA . LYS A 0 101 . -3.495 -10.459 9.749 1.00 61.26 101 A 1 ATOM 746 C C . LYS A 0 101 . -2.388 -10.279 8.695 1.00 61.26 101 A 1 ATOM 747 C CB . LYS A 0 101 . -4.716 -11.221 9.201 1.00 61.26 101 A 1 ATOM 748 O O . LYS A 0 101 . -2.207 -11.153 7.855 1.00 61.26 101 A 1 ATOM 749 C CG . LYS A 0 101 . -5.728 -11.619 10.290 1.00 61.26 101 A 1 ATOM 750 C CD . LYS A 0 101 . -6.864 -12.427 9.656 1.00 61.26 101 A 1 ATOM 751 C CE . LYS A 0 101 . -7.956 -12.764 10.673 1.00 61.26 101 A 1 ATOM 752 N NZ . LYS A 0 101 . -9.152 -13.303 9.973 1.00 61.26 101 A 1 ATOM 753 N N . GLY A 0 102 . -1.625 -9.184 8.746 1.00 60.94 102 A 1 ATOM 754 C CA . GLY A 0 102 . -0.559 -8.899 7.772 1.00 60.94 102 A 1 ATOM 755 C C . GLY A 0 102 . -1.042 -8.129 6.530 1.00 60.94 102 A 1 ATOM 756 O O . GLY A 0 102 . -2.220 -7.778 6.445 1.00 60.94 102 A 1 ATOM 757 N N . PRO A 0 103 . -0.140 -7.796 5.586 1.00 55.37 103 A 1 ATOM 758 C CA . PRO A 0 103 . -0.459 -6.952 4.437 1.00 55.37 103 A 1 ATOM 759 C C . PRO A 0 103 . -1.484 -7.648 3.534 1.00 55.37 103 A 1 ATOM 760 C CB . PRO A 0 103 . 0.881 -6.684 3.735 1.00 55.37 103 A 1 ATOM 761 O O . PRO A 0 103 . -1.175 -8.638 2.885 1.00 55.37 103 A 1 ATOM 762 C CG . PRO A 0 103 . 1.741 -7.887 4.125 1.00 55.37 103 A 1 ATOM 763 C CD . PRO A 0 103 . 1.245 -8.238 5.527 1.00 55.37 103 A 1 ATOM 764 N N . VAL A 0 104 . -2.711 -7.118 3.514 1.00 54.16 104 A 1 ATOM 765 C CA . VAL A 0 104 . -3.799 -7.500 2.599 1.00 54.16 104 A 1 ATOM 766 C C . VAL A 0 104 . -4.056 -9.010 2.559 1.00 54.16 104 A 1 ATOM 767 C CB . VAL A 0 104 . -3.572 -6.925 1.185 1.00 54.16 104 A 1 ATOM 768 O O . VAL A 0 104 . -3.842 -9.682 1.553 1.00 54.16 104 A 1 ATOM 769 C CG1 . VAL A 0 104 . -4.818 -7.020 0.291 1.00 54.16 104 A 1 ATOM 770 C CG2 . VAL A 0 104 . -3.191 -5.447 1.234 1.00 54.16 104 A 1 ATOM 771 N N . VAL A 0 105 . -4.620 -9.554 3.636 1.00 51.24 105 A 1 ATOM 772 C CA . VAL A 0 105 . -5.415 -10.778 3.493 1.00 51.24 105 A 1 ATOM 773 C C . VAL A 0 105 . -6.744 -10.346 2.893 1.00 51.24 105 A 1 ATOM 774 C CB . VAL A 0 105 . -5.559 -11.564 4.806 1.00 51.24 105 A 1 ATOM 775 O O . VAL A 0 105 . -7.672 -9.970 3.602 1.00 51.24 105 A 1 ATOM 776 C CG1 . VAL A 0 105 . -6.349 -12.863 4.589 1.00 51.24 105 A 1 ATOM 777 C CG2 . VAL A 0 105 . -4.172 -11.947 5.335 1.00 51.24 105 A 1 ATOM 778 N N . GLY A 0 106 . -6.803 -10.314 1.562 1.00 51.98 106 A 1 ATOM 779 C CA . GLY A 0 106 . -8.076 -10.315 0.869 1.00 51.98 106 A 1 ATOM 780 C C . GLY A 0 106 . -8.803 -11.575 1.304 1.00 51.98 106 A 1 ATOM 781 O O . GLY A 0 106 . -8.482 -12.666 0.834 1.00 51.98 106 A 1 ATOM 782 N N . ASP A 0 107 . -9.776 -11.422 2.199 1.00 48.80 107 A 1 ATOM 783 C CA . ASP A 0 107 . -10.861 -12.373 2.400 1.00 48.80 107 A 1 ATOM 784 C C . ASP A 0 107 . -11.704 -12.387 1.111 1.00 48.80 107 A 1 ATOM 785 C CB . ASP A 0 107 . -11.672 -12.002 3.660 1.00 48.80 107 A 1 ATOM 786 O O . ASP A 0 107 . -12.887 -12.047 1.089 1.00 48.80 107 A 1 ATOM 787 C CG . ASP A 0 107 . -11.023 -12.402 4.995 1.00 48.80 107 A 1 ATOM 788 O OD1 . ASP A 0 107 . -10.347 -13.455 5.048 1.00 48.80 107 A 1 ATOM 789 O OD2 . ASP A 0 107 . -11.280 -11.708 6.003 1.00 48.80 107 A 1 ATOM 790 N N . PHE A 0 108 . -11.073 -12.770 -0.003 1.00 54.54 108 A 1 ATOM 791 C CA . PHE A 0 108 . -11.720 -13.203 -1.221 1.00 54.54 108 A 1 ATOM 792 C C . PHE A 0 108 . -12.400 -14.522 -0.874 1.00 54.54 108 A 1 ATOM 793 C CB . PHE A 0 108 . -10.693 -13.314 -2.357 1.00 54.54 108 A 1 ATOM 794 O O . PHE A 0 108 . -11.916 -15.616 -1.163 1.00 54.54 108 A 1 ATOM 795 C CG . PHE A 0 108 . -10.251 -11.985 -2.946 1.00 54.54 108 A 1 ATOM 796 C CD1 . PHE A 0 108 . -11.179 -11.157 -3.602 1.00 54.54 108 A 1 ATOM 797 C CD2 . PHE A 0 108 . -8.909 -11.573 -2.849 1.00 54.54 108 A 1 ATOM 798 C CE1 . PHE A 0 108 . -10.766 -9.962 -4.218 1.00 54.54 108 A 1 ATOM 799 C CE2 . PHE A 0 108 . -8.498 -10.361 -3.434 1.00 54.54 108 A 1 ATOM 800 C CZ . PHE A 0 108 . -9.421 -9.565 -4.134 1.00 54.54 108 A 1 ATOM 801 N N . ASN A 0 109 . -13.542 -14.393 -0.203 1.00 51.28 109 A 1 ATOM 802 C CA . ASN A 0 109 . -14.555 -15.413 -0.012 1.00 51.28 109 A 1 ATOM 803 C C . ASN A 0 109 . -15.176 -15.765 -1.376 1.00 51.28 109 A 1 ATOM 804 C CB . ASN A 0 109 . -15.589 -14.916 1.021 1.00 51.28 109 A 1 ATOM 805 O O . ASN A 0 109 . -16.382 -15.694 -1.572 1.00 51.28 109 A 1 ATOM 806 C CG . ASN A 0 109 . -15.112 -15.055 2.451 1.00 51.28 109 A 1 ATOM 807 N ND2 . ASN A 0 109 . -14.607 -14.003 3.047 1.00 51.28 109 A 1 ATOM 808 O OD1 . ASN A 0 109 . -15.184 -16.123 3.037 1.00 51.28 109 A 1 ATOM 809 N N . TYR A 0 110 . -14.347 -16.161 -2.339 1.00 45.11 110 A 1 ATOM 810 C CA . TYR A 0 110 . -14.756 -16.856 -3.544 1.00 45.11 110 A 1 ATOM 811 C C . TYR A 0 110 . -14.512 -18.343 -3.278 1.00 45.11 110 A 1 ATOM 812 C CB . TYR A 0 110 . -14.003 -16.298 -4.765 1.00 45.11 110 A 1 ATOM 813 O O . TYR A 0 110 . -13.437 -18.872 -3.539 1.00 45.11 110 A 1 ATOM 814 C CG . TYR A 0 110 . -14.329 -14.851 -5.111 1.00 45.11 110 A 1 ATOM 815 C CD1 . TYR A 0 110 . -15.642 -14.481 -5.466 1.00 45.11 110 A 1 ATOM 816 C CD2 . TYR A 0 110 . -13.310 -13.881 -5.137 1.00 45.11 110 A 1 ATOM 817 C CE1 . TYR A 0 110 . -15.943 -13.143 -5.790 1.00 45.11 110 A 1 ATOM 818 C CE2 . TYR A 0 110 . -13.603 -12.549 -5.490 1.00 45.11 110 A 1 ATOM 819 O OH . TYR A 0 110 . -15.218 -10.878 -6.090 1.00 45.11 110 A 1 ATOM 820 C CZ . TYR A 0 110 . -14.926 -12.169 -5.783 1.00 45.11 110 A 1 ATOM 821 N N . GLY A 0 111 . -15.500 -19.020 -2.682 1.00 48.88 111 A 1 ATOM 822 C CA . GLY A 0 111 . -15.583 -20.483 -2.793 1.00 48.88 111 A 1 ATOM 823 C C . GLY A 0 111 . -15.614 -21.327 -1.519 1.00 48.88 111 A 1 ATOM 824 O O . GLY A 0 111 . -15.572 -22.548 -1.642 1.00 48.88 111 A 1 ATOM 825 N N . ARG A 0 112 . -15.750 -20.771 -0.307 1.00 46.89 112 A 1 ATOM 826 C CA . ARG A 0 112 . -16.057 -21.610 0.870 1.00 46.89 112 A 1 ATOM 827 C C . ARG A 0 112 . -17.309 -21.170 1.614 1.00 46.89 112 A 1 ATOM 828 C CB . ARG A 0 112 . -14.807 -21.912 1.727 1.00 46.89 112 A 1 ATOM 829 O O . ARG A 0 112 . -17.291 -20.806 2.785 1.00 46.89 112 A 1 ATOM 830 C CG . ARG A 0 112 . -14.667 -23.439 1.876 1.00 46.89 112 A 1 ATOM 831 C CD . ARG A 0 112 . -13.678 -23.879 2.959 1.00 46.89 112 A 1 ATOM 832 N NE . ARG A 0 112 . -12.267 -23.647 2.593 1.00 46.89 112 A 1 ATOM 833 N NH1 . ARG A 0 112 . -11.342 -24.820 4.335 1.00 46.89 112 A 1 ATOM 834 N NH2 . ARG A 0 112 . -10.007 -23.841 2.842 1.00 46.89 112 A 1 ATOM 835 C CZ . ARG A 0 112 . -11.215 -24.101 3.253 1.00 46.89 112 A 1 ATOM 836 N N . GLY A 0 113 . -18.434 -21.304 0.914 1.00 48.25 113 A 1 ATOM 837 C CA . GLY A 0 113 . -19.688 -21.595 1.590 1.00 48.25 113 A 1 ATOM 838 C C . GLY A 0 113 . -19.487 -22.782 2.539 1.00 48.25 113 A 1 ATOM 839 O O . GLY A 0 113 . -18.906 -23.797 2.165 1.00 48.25 113 A 1 ATOM 840 N N . GLN A 0 114 . -19.991 -22.631 3.761 1.00 49.47 114 A 1 ATOM 841 C CA . GLN A 0 114 . -20.194 -23.697 4.743 1.00 49.47 114 A 1 ATOM 842 C C . GLN A 0 114 . -18.949 -24.207 5.493 1.00 49.47 114 A 1 ATOM 843 C CB . GLN A 0 114 . -21.025 -24.844 4.137 1.00 49.47 114 A 1 ATOM 844 O O . GLN A 0 114 . -18.458 -25.311 5.275 1.00 49.47 114 A 1 ATOM 845 C CG . GLN A 0 114 . -22.283 -24.369 3.390 1.00 49.47 114 A 1 ATOM 846 C CD . GLN A 0 114 . -23.150 -25.550 2.991 1.00 49.47 114 A 1 ATOM 847 N NE2 . GLN A 0 114 . -23.351 -25.801 1.716 1.00 49.47 114 A 1 ATOM 848 O OE1 . GLN A 0 114 . -23.651 -26.276 3.830 1.00 49.47 114 A 1 ATOM 849 N N . ARG A 0 115 . -18.538 -23.478 6.538 1.00 49.72 115 A 1 ATOM 850 C CA . ARG A 0 115 . -18.292 -24.140 7.837 1.00 49.72 115 A 1 ATOM 851 C C . ARG A 0 115 . -18.576 -23.231 9.036 1.00 49.72 115 A 1 ATOM 852 C CB . ARG A 0 115 . -16.923 -24.857 7.892 1.00 49.72 115 A 1 ATOM 853 O O . ARG A 0 115 . -17.839 -23.220 10.013 1.00 49.72 115 A 1 ATOM 854 C CG . ARG A 0 115 . -17.088 -26.239 8.552 1.00 49.72 115 A 1 ATOM 855 C CD . ARG A 0 115 . -15.755 -26.991 8.612 1.00 49.72 115 A 1 ATOM 856 N NE . ARG A 0 115 . -15.933 -28.393 9.050 1.00 49.72 115 A 1 ATOM 857 N NH1 . ARG A 0 115 . -13.723 -28.852 9.474 1.00 49.72 115 A 1 ATOM 858 N NH2 . ARG A 0 115 . -15.236 -30.481 9.647 1.00 49.72 115 A 1 ATOM 859 C CZ . ARG A 0 115 . -14.968 -29.231 9.392 1.00 49.72 115 A 1 ATOM 860 N N . GLY A 0 116 . -19.677 -22.486 8.962 1.00 48.77 116 A 1 ATOM 861 C CA . GLY A 0 116 . -20.368 -21.993 10.150 1.00 48.77 116 A 1 ATOM 862 C C . GLY A 0 116 . -21.282 -23.100 10.669 1.00 48.77 116 A 1 ATOM 863 O O . GLY A 0 116 . -22.104 -23.612 9.915 1.00 48.77 116 A 1 ATOM 864 N N . GLY A 0 117 . -21.113 -23.493 11.931 1.00 49.48 117 A 1 ATOM 865 C CA . GLY A 0 117 . -22.051 -24.379 12.620 1.00 49.48 117 A 1 ATOM 866 C C . GLY A 0 117 . -21.523 -25.778 12.932 1.00 49.48 117 A 1 ATOM 867 O O . GLY A 0 117 . -22.090 -26.770 12.485 1.00 49.48 117 A 1 ATOM 868 N N . ARG A 0 118 . -20.546 -25.897 13.840 1.00 48.36 118 A 1 ATOM 869 C CA . ARG A 0 118 . -20.634 -26.996 14.820 1.00 48.36 118 A 1 ATOM 870 C C . ARG A 0 118 . -21.683 -26.590 15.852 1.00 48.36 118 A 1 ATOM 871 C CB . ARG A 0 118 . -19.270 -27.380 15.420 1.00 48.36 118 A 1 ATOM 872 O O . ARG A 0 118 . -21.370 -26.163 16.953 1.00 48.36 118 A 1 ATOM 873 C CG . ARG A 0 118 . -18.608 -28.492 14.592 1.00 48.36 118 A 1 ATOM 874 C CD . ARG A 0 118 . -17.280 -28.917 15.228 1.00 48.36 118 A 1 ATOM 875 N NE . ARG A 0 118 . -16.651 -30.033 14.491 1.00 48.36 118 A 1 ATOM 876 N NH1 . ARG A 0 118 . -14.615 -29.967 15.556 1.00 48.36 118 A 1 ATOM 877 N NH2 . ARG A 0 118 . -14.993 -31.522 14.006 1.00 48.36 118 A 1 ATOM 878 C CZ . ARG A 0 118 . -15.427 -30.497 14.684 1.00 48.36 118 A 1 ATOM 879 N N . SER A 0 119 . -22.941 -26.651 15.419 1.00 51.72 119 A 1 ATOM 880 C CA . SER A 0 119 . -24.082 -26.680 16.318 1.00 51.72 119 A 1 ATOM 881 C C . SER A 0 119 . -23.991 -27.984 17.099 1.00 51.72 119 A 1 ATOM 882 C CB . SER A 0 119 . -25.388 -26.592 15.522 1.00 51.72 119 A 1 ATOM 883 O O . SER A 0 119 . -23.880 -29.065 16.518 1.00 51.72 119 A 1 ATOM 884 O OG . SER A 0 119 . -26.515 -26.620 16.372 1.00 51.72 119 A 1 ATOM 885 N N . SER A 0 120 . -23.967 -27.844 18.416 1.00 54.23 120 A 1 ATOM 886 C CA . SER A 0 120 . -24.071 -28.896 19.410 1.00 54.23 120 A 1 ATOM 887 C C . SER A 0 120 . -25.168 -29.899 19.038 1.00 54.23 120 A 1 ATOM 888 C CB . SER A 0 120 . -24.410 -28.218 20.746 1.00 54.23 120 A 1 ATOM 889 O O . SER A 0 120 . -26.354 -29.627 19.202 1.00 54.23 120 A 1 ATOM 890 O OG . SER A 0 120 . -23.501 -27.158 20.996 1.00 54.23 120 A 1 ATOM 891 N N . ARG A 0 121 . -24.780 -31.074 18.541 1.00 55.77 121 A 1 ATOM 892 C CA . ARG A 0 121 . -25.657 -32.245 18.436 1.00 55.77 121 A 1 ATOM 893 C C . ARG A 0 121 . -24.870 -33.467 18.868 1.00 55.77 121 A 1 ATOM 894 C CB . ARG A 0 121 . -26.203 -32.439 17.015 1.00 55.77 121 A 1 ATOM 895 O O . ARG A 0 121 . -23.934 -33.868 18.187 1.00 55.77 121 A 1 ATOM 896 C CG . ARG A 0 121 . -27.219 -31.368 16.604 1.00 55.77 121 A 1 ATOM 897 C CD . ARG A 0 121 . -27.862 -31.774 15.274 1.00 55.77 121 A 1 ATOM 898 N NE . ARG A 0 121 . -28.393 -30.603 14.556 1.00 55.77 121 A 1 ATOM 899 N NH1 . ARG A 0 121 . -28.417 -31.538 12.457 1.00 55.77 121 A 1 ATOM 900 N NH2 . ARG A 0 121 . -28.970 -29.393 12.718 1.00 55.77 121 A 1 ATOM 901 C CZ . ARG A 0 121 . -28.590 -30.518 13.253 1.00 55.77 121 A 1 ATOM 902 N N . GLY A 0 122 . -25.263 -34.028 20.005 1.00 47.78 122 A 1 ATOM 903 C CA . GLY A 0 122 . -24.748 -35.304 20.488 1.00 47.78 122 A 1 ATOM 904 C C . GLY A 0 122 . -24.386 -35.285 21.965 1.00 47.78 122 A 1 ATOM 905 O O . GLY A 0 122 . -23.225 -35.459 22.310 1.00 47.78 122 A 1 ATOM 906 N N . ARG A 0 123 . -25.376 -35.094 22.841 1.00 57.00 123 A 1 ATOM 907 C CA . ARG A 0 123 . -25.354 -35.754 24.150 1.00 57.00 123 A 1 ATOM 908 C C . ARG A 0 123 . -26.119 -37.069 23.976 1.00 57.00 123 A 1 ATOM 909 C CB . ARG A 0 123 . -26.018 -34.883 25.232 1.00 57.00 123 A 1 ATOM 910 O O . ARG A 0 123 . -27.314 -36.989 23.692 1.00 57.00 123 A 1 ATOM 911 C CG . ARG A 0 123 . -25.011 -34.043 26.028 1.00 57.00 123 A 1 ATOM 912 C CD . ARG A 0 123 . -25.755 -33.222 27.094 1.00 57.00 123 A 1 ATOM 913 N NE . ARG A 0 123 . -24.992 -33.123 28.356 1.00 57.00 123 A 1 ATOM 914 N NH1 . ARG A 0 123 . -26.790 -32.973 29.789 1.00 57.00 123 A 1 ATOM 915 N NH2 . ARG A 0 123 . -24.728 -33.065 30.620 1.00 57.00 123 A 1 ATOM 916 C CZ . ARG A 0 123 . -25.505 -33.052 29.575 1.00 57.00 123 A 1 ATOM 917 N N . PRO A 0 124 . -25.478 -38.241 24.074 1.00 64.78 124 A 1 ATOM 918 C CA . PRO A 0 124 . -26.202 -39.456 24.394 1.00 64.78 124 A 1 ATOM 919 C C . PRO A 0 124 . -26.647 -39.392 25.862 1.00 64.78 124 A 1 ATOM 920 C CB . PRO A 0 124 . -25.258 -40.616 24.084 1.00 64.78 124 A 1 ATOM 921 O O . PRO A 0 124 . -25.952 -38.825 26.710 1.00 64.78 124 A 1 ATOM 922 C CG . PRO A 0 124 . -23.856 -39.999 24.069 1.00 64.78 124 A 1 ATOM 923 C CD . PRO A 0 124 . -24.046 -38.480 24.086 1.00 64.78 124 A 1 ATOM 924 N N . TYR A 0 125 . -27.857 -39.890 26.083 1.00 55.43 125 A 1 ATOM 925 C CA . TYR A 0 125 . -28.423 -40.273 27.375 1.00 55.43 125 A 1 ATOM 926 C C . TYR A 0 125 . -27.555 -41.324 28.074 1.00 55.43 125 A 1 ATOM 927 C CB . TYR A 0 125 . -29.846 -40.806 27.120 1.00 55.43 125 A 1 ATOM 928 O O . TYR A 0 125 . -26.866 -42.089 27.359 1.00 55.43 125 A 1 ATOM 929 C CG . TYR A 0 125 . -29.978 -41.599 25.825 1.00 55.43 125 A 1 ATOM 930 C CD1 . TYR A 0 125 . -30.439 -40.957 24.658 1.00 55.43 125 A 1 ATOM 931 C CD2 . TYR A 0 125 . -29.516 -42.926 25.757 1.00 55.43 125 A 1 ATOM 932 C CE1 . TYR A 0 125 . -30.448 -41.641 23.427 1.00 55.43 125 A 1 ATOM 933 C CE2 . TYR A 0 125 . -29.531 -43.619 24.530 1.00 55.43 125 A 1 ATOM 934 O OH . TYR A 0 125 . -30.000 -43.640 22.179 1.00 55.43 125 A 1 ATOM 935 C CZ . TYR A 0 125 . -29.996 -42.978 23.365 1.00 55.43 125 A 1 ATOM 936 O OXT . TYR A 0 125 . -27.627 -41.323 29.319 1.00 55.43 125 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 53.09 # loop_ _atom_type.symbol C N O S #