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 SER 0 3 GLY 0 4 ARG 0 5 THR 0 6 VAL 0 7 PRO 0 8 HIS 0 9 ALA 0 10 HIS 0 11 PRO 0 12 ALA 0 13 THR 0 14 ALA 0 15 GLU 0 16 TYR 0 17 GLU 0 18 PHE 0 19 ALA 0 20 ASN 0 21 PRO 0 22 SER 0 23 ARG 0 24 LEU 0 25 GLY 0 26 GLU 0 27 GLN 0 28 ARG 0 29 PHE 0 30 GLY 0 31 GLU 0 32 ASP 0 33 VAL 0 34 ASP 0 35 PRO 0 36 TRP 0 37 ARG 0 38 VAL 0 39 ARG 0 40 ALA 0 41 ALA 0 42 LEU 0 43 SER 0 44 HIS 0 45 ASP 0 46 GLY 0 47 ILE 0 48 LEU 0 49 ASN 0 50 LEU 0 51 GLU 0 52 ALA 0 53 PRO 0 54 ARG 0 55 GLY 0 56 GLY 0 57 ARG 0 58 HIS 0 59 LEU 0 60 ASP 0 61 THR 0 62 GLU 0 63 VAL 0 64 ASN 0 65 GLU 0 66 VAL 0 67 TYR 0 68 ILE 0 69 SER 0 70 LEU 0 71 LEU 0 72 PRO 0 73 ALA 0 74 PRO 0 75 PRO 0 76 ASP 0 77 PRO 0 78 GLU 0 79 GLU 0 80 GLU 0 81 GLU 0 82 GLU 0 83 ILE 0 84 ALA 0 85 ARG 0 86 VAL 0 87 GLU 0 88 PRO # 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 . 25.884 -29.325 -40.139 1.00 43.80 1 A 1 ATOM 2 C CA . MET A 0 1 . 24.994 -28.865 -39.052 1.00 43.80 1 A 1 ATOM 3 C C . MET A 0 1 . 24.969 -27.346 -39.087 1.00 43.80 1 A 1 ATOM 4 C CB . MET A 0 1 . 25.467 -29.385 -37.678 1.00 43.80 1 A 1 ATOM 5 O O . MET A 0 1 . 25.763 -26.716 -38.404 1.00 43.80 1 A 1 ATOM 6 C CG . MET A 0 1 . 25.309 -30.903 -37.550 1.00 43.80 1 A 1 ATOM 7 S SD . MET A 0 1 . 25.363 -31.514 -35.846 1.00 43.80 1 A 1 ATOM 8 C CE . MET A 0 1 . 27.145 -31.688 -35.557 1.00 43.80 1 A 1 ATOM 9 N N . SER A 0 2 . 24.163 -26.749 -39.967 1.00 50.18 2 A 1 ATOM 10 C CA . SER A 0 2 . 24.107 -25.286 -40.059 1.00 50.18 2 A 1 ATOM 11 C C . SER A 0 2 . 23.334 -24.770 -38.856 1.00 50.18 2 A 1 ATOM 12 C CB . SER A 0 2 . 23.500 -24.819 -41.382 1.00 50.18 2 A 1 ATOM 13 O O . SER A 0 2 . 22.170 -25.127 -38.674 1.00 50.18 2 A 1 ATOM 14 O OG . SER A 0 2 . 24.355 -25.247 -42.424 1.00 50.18 2 A 1 ATOM 15 N N . GLY A 0 3 . 24.034 -24.031 -37.995 1.00 51.59 3 A 1 ATOM 16 C CA . GLY A 0 3 . 23.507 -23.509 -36.744 1.00 51.59 3 A 1 ATOM 17 C C . GLY A 0 3 . 22.185 -22.800 -36.985 1.00 51.59 3 A 1 ATOM 18 O O . GLY A 0 3 . 22.100 -21.876 -37.791 1.00 51.59 3 A 1 ATOM 19 N N . ARG A 0 4 . 21.144 -23.268 -36.297 1.00 52.03 4 A 1 ATOM 20 C CA . ARG A 0 4 . 19.881 -22.552 -36.170 1.00 52.03 4 A 1 ATOM 21 C C . ARG A 0 4 . 20.183 -21.286 -35.380 1.00 52.03 4 A 1 ATOM 22 C CB . ARG A 0 4 . 18.855 -23.445 -35.456 1.00 52.03 4 A 1 ATOM 23 O O . ARG A 0 4 . 20.181 -21.311 -34.154 1.00 52.03 4 A 1 ATOM 24 C CG . ARG A 0 4 . 18.350 -24.582 -36.352 1.00 52.03 4 A 1 ATOM 25 C CD . ARG A 0 4 . 17.422 -25.502 -35.550 1.00 52.03 4 A 1 ATOM 26 N NE . ARG A 0 4 . 16.523 -26.267 -36.432 1.00 52.03 4 A 1 ATOM 27 N NH1 . ARG A 0 4 . 15.849 -27.847 -34.903 1.00 52.03 4 A 1 ATOM 28 N NH2 . ARG A 0 4 . 14.919 -27.803 -36.928 1.00 52.03 4 A 1 ATOM 29 C CZ . ARG A 0 4 . 15.774 -27.299 -36.084 1.00 52.03 4 A 1 ATOM 30 N N . THR A 0 5 . 20.544 -20.213 -36.074 1.00 50.38 5 A 1 ATOM 31 C CA . THR A 0 5 . 20.604 -18.897 -35.450 1.00 50.38 5 A 1 ATOM 32 C C . THR A 0 5 . 19.152 -18.542 -35.153 1.00 50.38 5 A 1 ATOM 33 C CB . THR A 0 5 . 21.373 -17.839 -36.277 1.00 50.38 5 A 1 ATOM 34 O O . THR A 0 5 . 18.292 -18.598 -36.034 1.00 50.38 5 A 1 ATOM 35 C CG2 . THR A 0 5 . 22.459 -18.436 -37.178 1.00 50.38 5 A 1 ATOM 36 O OG1 . THR A 0 5 . 20.549 -17.083 -37.123 1.00 50.38 5 A 1 ATOM 37 N N . VAL A 0 6 . 18.835 -18.310 -33.880 1.00 56.43 6 A 1 ATOM 38 C CA . VAL A 0 6 . 17.561 -17.678 -33.552 1.00 56.43 6 A 1 ATOM 39 C C . VAL A 0 6 . 17.683 -16.286 -34.160 1.00 56.43 6 A 1 ATOM 40 C CB . VAL A 0 6 . 17.302 -17.625 -32.037 1.00 56.43 6 A 1 ATOM 41 O O . VAL A 0 6 . 18.644 -15.590 -33.817 1.00 56.43 6 A 1 ATOM 42 C CG1 . VAL A 0 6 . 15.944 -16.985 -31.726 1.00 56.43 6 A 1 ATOM 43 C CG2 . VAL A 0 6 . 17.301 -19.042 -31.447 1.00 56.43 6 A 1 ATOM 44 N N . PRO A 0 7 . 16.813 -15.892 -35.105 1.00 50.29 7 A 1 ATOM 45 C CA . PRO A 0 7 . 16.829 -14.527 -35.587 1.00 50.29 7 A 1 ATOM 46 C C . PRO A 0 7 . 16.686 -13.656 -34.346 1.00 50.29 7 A 1 ATOM 47 C CB . PRO A 0 7 . 15.649 -14.409 -36.561 1.00 50.29 7 A 1 ATOM 48 O O . PRO A 0 7 . 15.705 -13.784 -33.617 1.00 50.29 7 A 1 ATOM 49 C CG . PRO A 0 7 . 14.697 -15.524 -36.123 1.00 50.29 7 A 1 ATOM 50 C CD . PRO A 0 7 . 15.632 -16.598 -35.575 1.00 50.29 7 A 1 ATOM 51 N N . HIS A 0 8 . 17.692 -12.824 -34.064 1.00 55.50 8 A 1 ATOM 52 C CA . HIS A 0 8 . 17.495 -11.667 -33.206 1.00 55.50 8 A 1 ATOM 53 C C . HIS A 0 8 . 16.230 -10.986 -33.736 1.00 55.50 8 A 1 ATOM 54 C CB . HIS A 0 8 . 18.744 -10.757 -33.223 1.00 55.50 8 A 1 ATOM 55 O O . HIS A 0 8 . 16.214 -10.486 -34.864 1.00 55.50 8 A 1 ATOM 56 C CG . HIS A 0 8 . 19.272 -10.349 -34.586 1.00 55.50 8 A 1 ATOM 57 C CD2 . HIS A 0 8 . 20.253 -9.428 -34.839 1.00 55.50 8 A 1 ATOM 58 N ND1 . HIS A 0 8 . 18.823 -10.789 -35.811 1.00 55.50 8 A 1 ATOM 59 C CE1 . HIS A 0 8 . 19.523 -10.171 -36.771 1.00 55.50 8 A 1 ATOM 60 N NE2 . HIS A 0 8 . 20.412 -9.332 -36.226 1.00 55.50 8 A 1 ATOM 61 N N . ALA A 0 9 . 15.119 -11.118 -33.010 1.00 56.58 9 A 1 ATOM 62 C CA . ALA A 0 9 . 13.942 -10.322 -33.292 1.00 56.58 9 A 1 ATOM 63 C C . ALA A 0 9 . 14.454 -8.880 -33.316 1.00 56.58 9 A 1 ATOM 64 C CB . ALA A 0 9 . 12.891 -10.580 -32.207 1.00 56.58 9 A 1 ATOM 65 O O . ALA A 0 9 . 15.203 -8.528 -32.411 1.00 56.58 9 A 1 ATOM 66 N N . HIS A 0 10 . 14.196 -8.179 -34.425 1.00 51.97 10 A 1 ATOM 67 C CA . HIS A 0 10 . 14.564 -6.798 -34.756 1.00 51.97 10 A 1 ATOM 68 C C . HIS A 0 10 . 15.370 -6.035 -33.686 1.00 51.97 10 A 1 ATOM 69 C CB . HIS A 0 10 . 13.261 -6.045 -35.043 1.00 51.97 10 A 1 ATOM 70 O O . HIS A 0 10 . 14.897 -5.968 -32.553 1.00 51.97 10 A 1 ATOM 71 C CG . HIS A 0 10 . 12.685 -6.403 -36.384 1.00 51.97 10 A 1 ATOM 72 C CD2 . HIS A 0 10 . 11.826 -7.426 -36.682 1.00 51.97 10 A 1 ATOM 73 N ND1 . HIS A 0 10 . 12.963 -5.747 -37.559 1.00 51.97 10 A 1 ATOM 74 C CE1 . HIS A 0 10 . 12.287 -6.357 -38.544 1.00 51.97 10 A 1 ATOM 75 N NE2 . HIS A 0 10 . 11.593 -7.398 -38.061 1.00 51.97 10 A 1 ATOM 76 N N . PRO A 0 11 . 16.521 -5.406 -34.035 1.00 56.07 11 A 1 ATOM 77 C CA . PRO A 0 11 . 17.363 -4.690 -33.067 1.00 56.07 11 A 1 ATOM 78 C C . PRO A 0 11 . 16.465 -3.870 -32.156 1.00 56.07 11 A 1 ATOM 79 C CB . PRO A 0 11 . 18.279 -3.772 -33.888 1.00 56.07 11 A 1 ATOM 80 O O . PRO A 0 11 . 15.670 -3.108 -32.703 1.00 56.07 11 A 1 ATOM 81 C CG . PRO A 0 11 . 17.536 -3.610 -35.214 1.00 56.07 11 A 1 ATOM 82 C CD . PRO A 0 11 . 16.863 -4.970 -35.381 1.00 56.07 11 A 1 ATOM 83 N N . ALA A 0 12 . 16.533 -4.136 -30.841 1.00 65.14 12 A 1 ATOM 84 C CA . ALA A 0 12 . 15.582 -3.661 -29.838 1.00 65.14 12 A 1 ATOM 85 C C . ALA A 0 12 . 15.102 -2.261 -30.215 1.00 65.14 12 A 1 ATOM 86 C CB . ALA A 0 12 . 16.265 -3.685 -28.463 1.00 65.14 12 A 1 ATOM 87 O O . ALA A 0 12 . 15.846 -1.286 -30.104 1.00 65.14 12 A 1 ATOM 88 N N . THR A 0 13 . 13.915 -2.183 -30.816 1.00 68.60 13 A 1 ATOM 89 C CA . THR A 0 13 . 13.415 -0.901 -31.287 1.00 68.60 13 A 1 ATOM 90 C C . THR A 0 13 . 13.163 -0.064 -30.043 1.00 68.60 13 A 1 ATOM 91 C CB . THR A 0 13 . 12.172 -1.051 -32.181 1.00 68.60 13 A 1 ATOM 92 O O . THR A 0 13 . 12.765 -0.605 -29.010 1.00 68.60 13 A 1 ATOM 93 C CG2 . THR A 0 13 . 12.530 -1.710 -33.516 1.00 68.60 13 A 1 ATOM 94 O OG1 . THR A 0 13 . 11.187 -1.848 -31.566 1.00 68.60 13 A 1 ATOM 95 N N . ALA A 0 14 . 13.385 1.251 -30.110 1.00 74.40 14 A 1 ATOM 96 C CA . ALA A 0 14 . 13.063 2.134 -28.985 1.00 74.40 14 A 1 ATOM 97 C C . ALA A 0 14 . 11.606 1.933 -28.518 1.00 74.40 14 A 1 ATOM 98 C CB . ALA A 0 14 . 13.318 3.581 -29.422 1.00 74.40 14 A 1 ATOM 99 O O . ALA A 0 14 . 11.311 1.992 -27.329 1.00 74.40 14 A 1 ATOM 100 N N . GLU A 0 15 . 10.711 1.600 -29.454 1.00 78.96 15 A 1 ATOM 101 C CA . GLU A 0 15 . 9.334 1.183 -29.184 1.00 78.96 15 A 1 ATOM 102 C C . GLU A 0 15 . 9.239 -0.111 -28.355 1.00 78.96 15 A 1 ATOM 103 C CB . GLU A 0 15 . 8.602 0.980 -30.517 1.00 78.96 15 A 1 ATOM 104 O O . GLU A 0 15 . 8.460 -0.158 -27.407 1.00 78.96 15 A 1 ATOM 105 C CG . GLU A 0 15 . 8.489 2.267 -31.350 1.00 78.96 15 A 1 ATOM 106 C CD . GLU A 0 15 . 7.744 2.052 -32.677 1.00 78.96 15 A 1 ATOM 107 O OE1 . GLU A 0 15 . 7.439 3.075 -33.329 1.00 78.96 15 A 1 ATOM 108 O OE2 . GLU A 0 15 . 7.536 0.877 -33.058 1.00 78.96 15 A 1 ATOM 109 N N . TYR A 0 16 . 10.028 -1.150 -28.665 1.00 76.11 16 A 1 ATOM 110 C CA . TYR A 0 16 . 10.043 -2.402 -27.898 1.00 76.11 16 A 1 ATOM 111 C C . TYR A 0 16 . 10.608 -2.210 -26.487 1.00 76.11 16 A 1 ATOM 112 C CB . TYR A 0 16 . 10.841 -3.486 -28.641 1.00 76.11 16 A 1 ATOM 113 O O . TYR A 0 16 . 10.082 -2.795 -25.542 1.00 76.11 16 A 1 ATOM 114 C CG . TYR A 0 16 . 10.804 -4.843 -27.955 1.00 76.11 16 A 1 ATOM 115 C CD1 . TYR A 0 16 . 11.776 -5.186 -26.992 1.00 76.11 16 A 1 ATOM 116 C CD2 . TYR A 0 16 . 9.766 -5.746 -28.253 1.00 76.11 16 A 1 ATOM 117 C CE1 . TYR A 0 16 . 11.704 -6.423 -26.321 1.00 76.11 16 A 1 ATOM 118 C CE2 . TYR A 0 16 . 9.699 -6.990 -27.597 1.00 76.11 16 A 1 ATOM 119 O OH . TYR A 0 16 . 10.578 -8.520 -25.980 1.00 76.11 16 A 1 ATOM 120 C CZ . TYR A 0 16 . 10.663 -7.328 -26.626 1.00 76.11 16 A 1 ATOM 121 N N . GLU A 0 17 . 11.656 -1.396 -26.331 1.00 76.84 17 A 1 ATOM 122 C CA . GLU A 0 17 . 12.216 -1.053 -25.016 1.00 76.84 17 A 1 ATOM 123 C C . GLU A 0 17 . 11.221 -0.238 -24.180 1.00 76.84 17 A 1 ATOM 124 C CB . GLU A 0 17 . 13.542 -0.297 -25.204 1.00 76.84 17 A 1 ATOM 125 O O . GLU A 0 17 . 11.033 -0.520 -22.998 1.00 76.84 17 A 1 ATOM 126 C CG . GLU A 0 17 . 14.234 -0.003 -23.861 1.00 76.84 17 A 1 ATOM 127 C CD . GLU A 0 17 . 15.589 0.712 -23.995 1.00 76.84 17 A 1 ATOM 128 O OE1 . GLU A 0 17 . 16.186 1.000 -22.930 1.00 76.84 17 A 1 ATOM 129 O OE2 . GLU A 0 17 . 16.032 0.965 -25.139 1.00 76.84 17 A 1 ATOM 130 N N . PHE A 0 18 . 10.526 0.723 -24.798 1.00 77.08 18 A 1 ATOM 131 C CA . PHE A 0 18 . 9.471 1.490 -24.135 1.00 77.08 18 A 1 ATOM 132 C C . PHE A 0 18 . 8.290 0.605 -23.715 1.00 77.08 18 A 1 ATOM 133 C CB . PHE A 0 18 . 9.008 2.616 -25.067 1.00 77.08 18 A 1 ATOM 134 O O . PHE A 0 18 . 7.756 0.765 -22.620 1.00 77.08 18 A 1 ATOM 135 C CG . PHE A 0 18 . 7.979 3.528 -24.431 1.00 77.08 18 A 1 ATOM 136 C CD1 . PHE A 0 18 . 6.604 3.302 -24.631 1.00 77.08 18 A 1 ATOM 137 C CD2 . PHE A 0 18 . 8.401 4.582 -23.599 1.00 77.08 18 A 1 ATOM 138 C CE1 . PHE A 0 18 . 5.656 4.128 -24.001 1.00 77.08 18 A 1 ATOM 139 C CE2 . PHE A 0 18 . 7.453 5.410 -22.973 1.00 77.08 18 A 1 ATOM 140 C CZ . PHE A 0 18 . 6.080 5.181 -23.173 1.00 77.08 18 A 1 ATOM 141 N N . ALA A 0 19 . 7.899 -0.349 -24.566 1.00 80.92 19 A 1 ATOM 142 C CA . ALA A 0 19 . 6.837 -1.305 -24.265 1.00 80.92 19 A 1 ATOM 143 C C . ALA A 0 19 . 7.238 -2.336 -23.194 1.00 80.92 19 A 1 ATOM 144 C CB . ALA A 0 19 . 6.429 -1.995 -25.571 1.00 80.92 19 A 1 ATOM 145 O O . ALA A 0 19 . 6.369 -2.862 -22.503 1.00 80.92 19 A 1 ATOM 146 N N . ASN A 0 20 . 8.536 -2.618 -23.043 1.00 78.28 20 A 1 ATOM 147 C CA . ASN A 0 20 . 9.074 -3.568 -22.070 1.00 78.28 20 A 1 ATOM 148 C C . ASN A 0 20 . 10.120 -2.886 -21.179 1.00 78.28 20 A 1 ATOM 149 C CB . ASN A 0 20 . 9.651 -4.791 -22.795 1.00 78.28 20 A 1 ATOM 150 O O . ASN A 0 20 . 11.318 -3.183 -21.294 1.00 78.28 20 A 1 ATOM 151 C CG . ASN A 0 20 . 8.606 -5.528 -23.595 1.00 78.28 20 A 1 ATOM 152 N ND2 . ASN A 0 20 . 8.642 -5.394 -24.897 1.00 78.28 20 A 1 ATOM 153 O OD1 . ASN A 0 20 . 7.763 -6.232 -23.070 1.00 78.28 20 A 1 ATOM 154 N N . PRO A 0 21 . 9.704 -1.974 -20.280 1.00 74.37 21 A 1 ATOM 155 C CA . PRO A 0 21 . 10.644 -1.305 -19.400 1.00 74.37 21 A 1 ATOM 156 C C . PRO A 0 21 . 11.368 -2.350 -18.547 1.00 74.37 21 A 1 ATOM 157 C CB . PRO A 0 21 . 9.812 -0.317 -18.578 1.00 74.37 21 A 1 ATOM 158 O O . PRO A 0 21 . 10.781 -3.014 -17.697 1.00 74.37 21 A 1 ATOM 159 C CG . PRO A 0 21 . 8.412 -0.931 -18.581 1.00 74.37 21 A 1 ATOM 160 C CD . PRO A 0 21 . 8.334 -1.604 -19.951 1.00 74.37 21 A 1 ATOM 161 N N . SER A 0 22 . 12.677 -2.483 -18.758 1.00 78.70 22 A 1 ATOM 162 C CA . SER A 0 22 . 13.519 -3.401 -17.973 1.00 78.70 22 A 1 ATOM 163 C C . SER A 0 22 . 13.788 -2.877 -16.557 1.00 78.70 22 A 1 ATOM 164 C CB . SER A 0 22 . 14.846 -3.625 -18.697 1.00 78.70 22 A 1 ATOM 165 O O . SER A 0 22 . 14.329 -3.588 -15.712 1.00 78.70 22 A 1 ATOM 166 O OG . SER A 0 22 . 14.625 -4.237 -19.952 1.00 78.70 22 A 1 ATOM 167 N N . ARG A 0 23 . 13.447 -1.609 -16.300 1.00 78.94 23 A 1 ATOM 168 C CA . ARG A 0 23 . 13.643 -0.925 -15.026 1.00 78.94 23 A 1 ATOM 169 C C . ARG A 0 23 . 12.294 -0.494 -14.469 1.00 78.94 23 A 1 ATOM 170 C CB . ARG A 0 23 . 14.616 0.249 -15.230 1.00 78.94 23 A 1 ATOM 171 O O . ARG A 0 23 . 11.568 0.264 -15.106 1.00 78.94 23 A 1 ATOM 172 C CG . ARG A 0 23 . 14.933 0.967 -13.909 1.00 78.94 23 A 1 ATOM 173 C CD . ARG A 0 23 . 15.924 2.123 -14.073 1.00 78.94 23 A 1 ATOM 174 N NE . ARG A 0 23 . 17.278 1.656 -14.439 1.00 78.94 23 A 1 ATOM 175 N NH1 . ARG A 0 23 . 17.716 3.178 -16.110 1.00 78.94 23 A 1 ATOM 176 N NH2 . ARG A 0 23 . 19.248 1.649 -15.581 1.00 78.94 23 A 1 ATOM 177 C CZ . ARG A 0 23 . 18.069 2.164 -15.369 1.00 78.94 23 A 1 ATOM 178 N N . LEU A 0 24 . 12.008 -0.929 -13.246 1.00 76.98 24 A 1 ATOM 179 C CA . LEU A 0 24 . 10.947 -0.337 -12.440 1.00 76.98 24 A 1 ATOM 180 C C . LEU A 0 24 . 11.364 1.093 -12.073 1.00 76.98 24 A 1 ATOM 181 C CB . LEU A 0 24 . 10.688 -1.210 -11.198 1.00 76.98 24 A 1 ATOM 182 O O . LEU A 0 24 . 12.494 1.313 -11.635 1.00 76.98 24 A 1 ATOM 183 C CG . LEU A 0 24 . 10.240 -2.652 -11.510 1.00 76.98 24 A 1 ATOM 184 C CD1 . LEU A 0 24 . 10.085 -3.439 -10.209 1.00 76.98 24 A 1 ATOM 185 C CD2 . LEU A 0 24 . 8.911 -2.696 -12.265 1.00 76.98 24 A 1 ATOM 186 N N . GLY A 0 25 . 10.478 2.065 -12.298 1.00 81.64 25 A 1 ATOM 187 C CA . GLY A 0 25 . 10.707 3.454 -11.896 1.00 81.64 25 A 1 ATOM 188 C C . GLY A 0 25 . 10.864 3.612 -10.378 1.00 81.64 25 A 1 ATOM 189 O O . GLY A 0 25 . 10.709 2.659 -9.612 1.00 81.64 25 A 1 ATOM 190 N N . GLU A 0 26 . 11.157 4.830 -9.925 1.00 83.31 26 A 1 ATOM 191 C CA . GLU A 0 26 . 11.223 5.122 -8.491 1.00 83.31 26 A 1 ATOM 192 C C . GLU A 0 26 . 9.842 4.950 -7.838 1.00 83.31 26 A 1 ATOM 193 C CB . GLU A 0 26 . 11.748 6.544 -8.240 1.00 83.31 26 A 1 ATOM 194 O O . GLU A 0 26 . 8.896 5.666 -8.167 1.00 83.31 26 A 1 ATOM 195 C CG . GLU A 0 26 . 13.195 6.750 -8.709 1.00 83.31 26 A 1 ATOM 196 C CD . GLU A 0 26 . 13.773 8.098 -8.244 1.00 83.31 26 A 1 ATOM 197 O OE1 . GLU A 0 26 . 15.014 8.168 -8.111 1.00 83.31 26 A 1 ATOM 198 O OE2 . GLU A 0 26 . 12.981 9.043 -8.011 1.00 83.31 26 A 1 ATOM 199 N N . GLN A 0 27 . 9.724 4.019 -6.886 1.00 81.92 27 A 1 ATOM 200 C CA . GLN A 0 27 . 8.514 3.856 -6.079 1.00 81.92 27 A 1 ATOM 201 C C . GLN A 0 27 . 8.649 4.623 -4.764 1.00 81.92 27 A 1 ATOM 202 C CB . GLN A 0 27 . 8.191 2.375 -5.843 1.00 81.92 27 A 1 ATOM 203 O O . GLN A 0 27 . 9.521 4.334 -3.944 1.00 81.92 27 A 1 ATOM 204 C CG . GLN A 0 27 . 7.857 1.646 -7.154 1.00 81.92 27 A 1 ATOM 205 C CD . GLN A 0 27 . 6.890 0.495 -6.916 1.00 81.92 27 A 1 ATOM 206 N NE2 . GLN A 0 27 . 7.360 -0.688 -6.586 1.00 81.92 27 A 1 ATOM 207 O OE1 . GLN A 0 27 . 5.686 0.649 -6.996 1.00 81.92 27 A 1 ATOM 208 N N . ARG A 0 28 . 7.773 5.608 -4.551 1.00 83.01 28 A 1 ATOM 209 C CA . ARG A 0 28 . 7.717 6.396 -3.315 1.00 83.01 28 A 1 ATOM 210 C C . ARG A 0 28 . 6.655 5.812 -2.384 1.00 83.01 28 A 1 ATOM 211 C CB . ARG A 0 28 . 7.435 7.868 -3.653 1.00 83.01 28 A 1 ATOM 212 O O . ARG A 0 28 . 5.475 5.861 -2.707 1.00 83.01 28 A 1 ATOM 213 C CG . ARG A 0 28 . 8.620 8.540 -4.363 1.00 83.01 28 A 1 ATOM 214 C CD . ARG A 0 28 . 8.293 10.008 -4.658 1.00 83.01 28 A 1 ATOM 215 N NE . ARG A 0 28 . 9.519 10.815 -4.790 1.00 83.01 28 A 1 ATOM 216 N NH1 . ARG A 0 28 . 8.579 12.872 -4.381 1.00 83.01 28 A 1 ATOM 217 N NH2 . ARG A 0 28 . 10.793 12.689 -4.603 1.00 83.01 28 A 1 ATOM 218 C CZ . ARG A 0 28 . 9.623 12.117 -4.591 1.00 83.01 28 A 1 ATOM 219 N N . PHE A 0 29 . 7.063 5.321 -1.215 1.00 80.56 29 A 1 ATOM 220 C CA . PHE A 0 29 . 6.163 4.730 -0.209 1.00 80.56 29 A 1 ATOM 221 C C . PHE A 0 29 . 5.349 5.756 0.612 1.00 80.56 29 A 1 ATOM 222 C CB . PHE A 0 29 . 6.975 3.792 0.696 1.00 80.56 29 A 1 ATOM 223 O O . PHE A 0 29 . 4.593 5.371 1.500 1.00 80.56 29 A 1 ATOM 224 C CG . PHE A 0 29 . 7.414 2.505 0.028 1.00 80.56 29 A 1 ATOM 225 C CD1 . PHE A 0 29 . 6.529 1.410 -0.009 1.00 80.56 29 A 1 ATOM 226 C CD2 . PHE A 0 29 . 8.690 2.395 -0.555 1.00 80.56 29 A 1 ATOM 227 C CE1 . PHE A 0 29 . 6.914 0.212 -0.634 1.00 80.56 29 A 1 ATOM 228 C CE2 . PHE A 0 29 . 9.073 1.199 -1.185 1.00 80.56 29 A 1 ATOM 229 C CZ . PHE A 0 29 . 8.183 0.112 -1.226 1.00 80.56 29 A 1 ATOM 230 N N . GLY A 0 30 . 5.473 7.052 0.310 1.00 80.86 30 A 1 ATOM 231 C CA . GLY A 0 30 . 4.880 8.136 1.095 1.00 80.86 30 A 1 ATOM 232 C C . GLY A 0 30 . 5.758 8.564 2.272 1.00 80.86 30 A 1 ATOM 233 O O . GLY A 0 30 . 6.879 8.083 2.450 1.00 80.86 30 A 1 ATOM 234 N N . GLU A 0 31 . 5.263 9.521 3.051 1.00 80.03 31 A 1 ATOM 235 C CA . GLU A 0 31 . 5.931 9.957 4.274 1.00 80.03 31 A 1 ATOM 236 C C . GLU A 0 31 . 5.764 8.900 5.369 1.00 80.03 31 A 1 ATOM 237 C CB . GLU A 0 31 . 5.412 11.334 4.717 1.00 80.03 31 A 1 ATOM 238 O O . GLU A 0 31 . 4.779 8.163 5.399 1.00 80.03 31 A 1 ATOM 239 C CG . GLU A 0 31 . 5.709 12.409 3.660 1.00 80.03 31 A 1 ATOM 240 C CD . GLU A 0 31 . 5.266 13.799 4.126 1.00 80.03 31 A 1 ATOM 241 O OE1 . GLU A 0 31 . 6.146 14.684 4.207 1.00 80.03 31 A 1 ATOM 242 O OE2 . GLU A 0 31 . 4.058 13.952 4.407 1.00 80.03 31 A 1 ATOM 243 N N . ASP A 0 32 . 6.731 8.850 6.286 1.00 81.70 32 A 1 ATOM 244 C CA . ASP A 0 32 . 6.716 7.945 7.439 1.00 81.70 32 A 1 ATOM 245 C C . ASP A 0 32 . 7.019 6.472 7.128 1.00 81.70 32 A 1 ATOM 246 C CB . ASP A 0 32 . 5.419 8.157 8.250 1.00 81.70 32 A 1 ATOM 247 O O . ASP A 0 32 . 6.671 5.590 7.899 1.00 81.70 32 A 1 ATOM 248 C CG . ASP A 0 32 . 5.612 8.039 9.752 1.00 81.70 32 A 1 ATOM 249 O OD1 . ASP A 0 32 . 6.688 8.460 10.244 1.00 81.70 32 A 1 ATOM 250 O OD2 . ASP A 0 32 . 4.643 7.666 10.434 1.00 81.70 32 A 1 ATOM 251 N N . VAL A 0 33 . 7.708 6.168 6.029 1.00 86.17 33 A 1 ATOM 252 C CA . VAL A 0 33 . 8.292 4.837 5.807 1.00 86.17 33 A 1 ATOM 253 C C . VAL A 0 33 . 9.804 4.917 5.973 1.00 86.17 33 A 1 ATOM 254 C CB . VAL A 0 33 . 7.847 4.247 4.459 1.00 86.17 33 A 1 ATOM 255 O O . VAL A 0 33 . 10.461 5.719 5.315 1.00 86.17 33 A 1 ATOM 256 C CG1 . VAL A 0 33 . 8.527 2.899 4.195 1.00 86.17 33 A 1 ATOM 257 C CG2 . VAL A 0 33 . 6.326 4.026 4.500 1.00 86.17 33 A 1 ATOM 258 N N . ASP A 0 34 . 10.357 4.090 6.861 1.00 85.31 34 A 1 ATOM 259 C CA . ASP A 0 34 . 11.806 3.968 7.040 1.00 85.31 34 A 1 ATOM 260 C C . ASP A 0 34 . 12.394 3.062 5.941 1.00 85.31 34 A 1 ATOM 261 C CB . ASP A 0 34 . 12.117 3.421 8.438 1.00 85.31 34 A 1 ATOM 262 O O . ASP A 0 34 . 12.070 1.867 5.913 1.00 85.31 34 A 1 ATOM 263 C CG . ASP A 0 34 . 13.615 3.228 8.718 1.00 85.31 34 A 1 ATOM 264 O OD1 . ASP A 0 34 . 14.453 3.562 7.849 1.00 85.31 34 A 1 ATOM 265 O OD2 . ASP A 0 34 . 13.904 2.701 9.812 1.00 85.31 34 A 1 ATOM 266 N N . PRO A 0 35 . 13.280 3.577 5.066 1.00 85.87 35 A 1 ATOM 267 C CA . PRO A 0 35 . 13.912 2.784 4.014 1.00 85.87 35 A 1 ATOM 268 C C . PRO A 0 35 . 14.665 1.557 4.540 1.00 85.87 35 A 1 ATOM 269 C CB . PRO A 0 35 . 14.873 3.742 3.301 1.00 85.87 35 A 1 ATOM 270 O O . PRO A 0 35 . 14.712 0.532 3.863 1.00 85.87 35 A 1 ATOM 271 C CG . PRO A 0 35 . 14.288 5.122 3.581 1.00 85.87 35 A 1 ATOM 272 C CD . PRO A 0 35 . 13.724 4.962 4.985 1.00 85.87 35 A 1 ATOM 273 N N . TRP A 0 36 . 15.218 1.620 5.755 1.00 89.29 36 A 1 ATOM 274 C CA . TRP A 0 36 . 15.965 0.510 6.355 1.00 89.29 36 A 1 ATOM 275 C C . TRP A 0 36 . 15.071 -0.632 6.844 1.00 89.29 36 A 1 ATOM 276 C CB . TRP A 0 36 . 16.816 1.047 7.507 1.00 89.29 36 A 1 ATOM 277 O O . TRP A 0 36 . 15.561 -1.726 7.120 1.00 89.29 36 A 1 ATOM 278 C CG . TRP A 0 36 . 17.818 2.076 7.097 1.00 89.29 36 A 1 ATOM 279 C CD1 . TRP A 0 36 . 17.740 3.398 7.362 1.00 89.29 36 A 1 ATOM 280 C CD2 . TRP A 0 36 . 19.031 1.890 6.311 1.00 89.29 36 A 1 ATOM 281 C CE2 . TRP A 0 36 . 19.660 3.160 6.151 1.00 89.29 36 A 1 ATOM 282 C CE3 . TRP A 0 36 . 19.656 0.776 5.709 1.00 89.29 36 A 1 ATOM 283 N NE1 . TRP A 0 36 . 18.831 4.043 6.813 1.00 89.29 36 A 1 ATOM 284 C CH2 . TRP A 0 36 . 21.460 2.187 4.857 1.00 89.29 36 A 1 ATOM 285 C CZ2 . TRP A 0 36 . 20.859 3.317 5.440 1.00 89.29 36 A 1 ATOM 286 C CZ3 . TRP A 0 36 . 20.857 0.922 4.990 1.00 89.29 36 A 1 ATOM 287 N N . ARG A 0 37 . 13.758 -0.396 6.958 1.00 90.19 37 A 1 ATOM 288 C CA . ARG A 0 37 . 12.773 -1.394 7.403 1.00 90.19 37 A 1 ATOM 289 C C . ARG A 0 37 . 11.995 -2.017 6.244 1.00 90.19 37 A 1 ATOM 290 C CB . ARG A 0 37 . 11.852 -0.778 8.468 1.00 90.19 37 A 1 ATOM 291 O O . ARG A 0 37 . 11.158 -2.884 6.497 1.00 90.19 37 A 1 ATOM 292 C CG . ARG A 0 37 . 12.619 -0.382 9.741 1.00 90.19 37 A 1 ATOM 293 C CD . ARG A 0 37 . 11.752 0.401 10.737 1.00 90.19 37 A 1 ATOM 294 N NE . ARG A 0 37 . 10.748 -0.443 11.425 1.00 90.19 37 A 1 ATOM 295 N NH1 . ARG A 0 37 . 9.086 1.141 11.641 1.00 90.19 37 A 1 ATOM 296 N NH2 . ARG A 0 37 . 8.779 -0.892 12.491 1.00 90.19 37 A 1 ATOM 297 C CZ . ARG A 0 37 . 9.554 -0.057 11.853 1.00 90.19 37 A 1 ATOM 298 N N . VAL A 0 38 . 12.272 -1.610 5.004 1.00 91.58 38 A 1 ATOM 299 C CA . VAL A 0 38 . 11.697 -2.218 3.800 1.00 91.58 38 A 1 ATOM 300 C C . VAL A 0 38 . 12.236 -3.643 3.641 1.00 91.58 38 A 1 ATOM 301 C CB . VAL A 0 38 . 11.989 -1.383 2.536 1.00 91.58 38 A 1 ATOM 302 O O . VAL A 0 38 . 13.437 -3.892 3.726 1.00 91.58 38 A 1 ATOM 303 C CG1 . VAL A 0 38 . 11.336 -2.002 1.290 1.00 91.58 38 A 1 ATOM 304 C CG2 . VAL A 0 38 . 11.479 0.062 2.645 1.00 91.58 38 A 1 ATOM 305 N N . ARG A 0 39 . 11.338 -4.590 3.389 1.00 93.30 39 A 1 ATOM 306 C CA . ARG A 0 39 . 11.621 -5.997 3.109 1.00 93.30 39 A 1 ATOM 307 C C . ARG A 0 39 . 11.146 -6.326 1.704 1.00 93.30 39 A 1 ATOM 308 C CB . ARG A 0 39 . 10.919 -6.889 4.140 1.00 93.30 39 A 1 ATOM 309 O O . ARG A 0 39 . 10.077 -5.888 1.296 1.00 93.30 39 A 1 ATOM 310 C CG . ARG A 0 39 . 11.443 -6.641 5.558 1.00 93.30 39 A 1 ATOM 311 C CD . ARG A 0 39 . 10.735 -7.575 6.539 1.00 93.30 39 A 1 ATOM 312 N NE . ARG A 0 39 . 11.239 -7.378 7.910 1.00 93.30 39 A 1 ATOM 313 N NH1 . ARG A 0 39 . 10.056 -9.082 8.885 1.00 93.30 39 A 1 ATOM 314 N NH2 . ARG A 0 39 . 11.454 -7.854 10.125 1.00 93.30 39 A 1 ATOM 315 C CZ . ARG A 0 39 . 10.915 -8.103 8.964 1.00 93.30 39 A 1 ATOM 316 N N . ALA A 0 40 . 11.935 -7.117 0.988 1.00 93.48 40 A 1 ATOM 317 C CA . ALA A 0 40 . 11.603 -7.592 -0.345 1.00 93.48 40 A 1 ATOM 318 C C . ALA A 0 40 . 11.455 -9.115 -0.338 1.00 93.48 40 A 1 ATOM 319 C CB . ALA A 0 40 . 12.679 -7.115 -1.325 1.00 93.48 40 A 1 ATOM 320 O O . ALA A 0 40 . 12.299 -9.816 0.223 1.00 93.48 40 A 1 ATOM 321 N N . ALA A 0 41 . 10.408 -9.622 -0.981 1.00 95.81 41 A 1 ATOM 322 C CA . ALA A 0 41 . 10.178 -11.048 -1.163 1.00 95.81 41 A 1 ATOM 323 C C . ALA A 0 41 . 9.742 -11.324 -2.605 1.00 95.81 41 A 1 ATOM 324 C CB . ALA A 0 41 . 9.138 -11.522 -0.140 1.00 95.81 41 A 1 ATOM 325 O O . ALA A 0 41 . 8.762 -10.754 -3.079 1.00 95.81 41 A 1 ATOM 326 N N . LEU A 0 42 . 10.460 -12.204 -3.305 1.00 95.97 42 A 1 ATOM 327 C CA . LEU A 0 42 . 10.064 -12.686 -4.627 1.00 95.97 42 A 1 ATOM 328 C C . LEU A 0 42 . 9.246 -13.968 -4.460 1.00 95.97 42 A 1 ATOM 329 C CB . LEU A 0 42 . 11.313 -12.881 -5.503 1.00 95.97 42 A 1 ATOM 330 O O . LEU A 0 42 . 9.737 -14.962 -3.927 1.00 95.97 42 A 1 ATOM 331 C CG . LEU A 0 42 . 11.005 -13.325 -6.947 1.00 95.97 42 A 1 ATOM 332 C CD1 . LEU A 0 42 . 10.220 -12.267 -7.723 1.00 95.97 42 A 1 ATOM 333 C CD2 . LEU A 0 42 . 12.315 -13.581 -7.691 1.00 95.97 42 A 1 ATOM 334 N N . SER A 0 43 . 7.994 -13.931 -4.900 1.00 95.30 43 A 1 ATOM 335 C CA . SER A 0 43 . 7.120 -15.104 -4.923 1.00 95.30 43 A 1 ATOM 336 C C . SER A 0 43 . 7.483 -16.066 -6.063 1.00 95.30 43 A 1 ATOM 337 C CB . SER A 0 43 . 5.658 -14.665 -5.025 1.00 95.30 43 A 1 ATOM 338 O O . SER A 0 43 . 8.144 -15.691 -7.033 1.00 95.30 43 A 1 ATOM 339 O OG . SER A 0 43 . 5.461 -13.987 -6.241 1.00 95.30 43 A 1 ATOM 340 N N . HIS A 0 44 . 7.019 -17.314 -5.960 1.00 95.97 44 A 1 ATOM 341 C CA . HIS A 0 44 . 7.210 -18.343 -6.990 1.00 95.97 44 A 1 ATOM 342 C C . HIS A 0 44 . 6.566 -17.991 -8.343 1.00 95.97 44 A 1 ATOM 343 C CB . HIS A 0 44 . 6.681 -19.683 -6.461 1.00 95.97 44 A 1 ATOM 344 O O . HIS A 0 44 . 7.062 -18.430 -9.377 1.00 95.97 44 A 1 ATOM 345 C CG . HIS A 0 44 . 5.180 -19.762 -6.302 1.00 95.97 44 A 1 ATOM 346 C CD2 . HIS A 0 44 . 4.335 -20.538 -7.052 1.00 95.97 44 A 1 ATOM 347 N ND1 . HIS A 0 44 . 4.395 -19.107 -5.373 1.00 95.97 44 A 1 ATOM 348 C CE1 . HIS A 0 44 . 3.118 -19.472 -5.578 1.00 95.97 44 A 1 ATOM 349 N NE2 . HIS A 0 44 . 3.047 -20.399 -6.538 1.00 95.97 44 A 1 ATOM 350 N N . ASP A 0 45 . 5.532 -17.148 -8.337 1.00 95.64 45 A 1 ATOM 351 C CA . ASP A 0 45 . 4.847 -16.648 -9.535 1.00 95.64 45 A 1 ATOM 352 C C . ASP A 0 45 . 5.600 -15.496 -10.227 1.00 95.64 45 A 1 ATOM 353 C CB . ASP A 0 45 . 3.422 -16.225 -9.150 1.00 95.64 45 A 1 ATOM 354 O O . ASP A 0 45 . 5.114 -14.916 -11.195 1.00 95.64 45 A 1 ATOM 355 C CG . ASP A 0 45 . 2.628 -17.375 -8.530 1.00 95.64 45 A 1 ATOM 356 O OD1 . ASP A 0 45 . 2.620 -18.461 -9.149 1.00 95.64 45 A 1 ATOM 357 O OD2 . ASP A 0 45 . 2.074 -17.149 -7.429 1.00 95.64 45 A 1 ATOM 358 N N . GLY A 0 46 . 6.788 -15.127 -9.731 1.00 93.25 46 A 1 ATOM 359 C CA . GLY A 0 46 . 7.603 -14.049 -10.295 1.00 93.25 46 A 1 ATOM 360 C C . GLY A 0 46 . 7.192 -12.641 -9.854 1.00 93.25 46 A 1 ATOM 361 O O . GLY A 0 46 . 7.693 -11.663 -10.405 1.00 93.25 46 A 1 ATOM 362 N N . ILE A 0 47 . 6.316 -12.511 -8.851 1.00 92.94 47 A 1 ATOM 363 C CA . ILE A 0 47 . 5.893 -11.213 -8.300 1.00 92.94 47 A 1 ATOM 364 C C . ILE A 0 47 . 6.842 -10.802 -7.170 1.00 92.94 47 A 1 ATOM 365 C CB . ILE A 0 47 . 4.416 -11.235 -7.838 1.00 92.94 47 A 1 ATOM 366 O O . ILE A 0 47 . 6.980 -11.531 -6.181 1.00 92.94 47 A 1 ATOM 367 C CG1 . ILE A 0 47 . 3.481 -11.706 -8.977 1.00 92.94 47 A 1 ATOM 368 C CG2 . ILE A 0 47 . 4.005 -9.843 -7.321 1.00 92.94 47 A 1 ATOM 369 C CD1 . ILE A 0 47 . 2.032 -11.937 -8.532 1.00 92.94 47 A 1 ATOM 370 N N . LEU A 0 48 . 7.478 -9.634 -7.311 1.00 92.47 48 A 1 ATOM 371 C CA . LEU A 0 48 . 8.287 -8.995 -6.271 1.00 92.47 48 A 1 ATOM 372 C C . LEU A 0 48 . 7.390 -8.169 -5.340 1.00 92.47 48 A 1 ATOM 373 C CB . LEU A 0 48 . 9.372 -8.123 -6.934 1.00 92.47 48 A 1 ATOM 374 O O . LEU A 0 48 . 6.842 -7.148 -5.747 1.00 92.47 48 A 1 ATOM 375 C CG . LEU A 0 48 . 10.276 -7.371 -5.936 1.00 92.47 48 A 1 ATOM 376 C CD1 . LEU A 0 48 . 11.104 -8.333 -5.082 1.00 92.47 48 A 1 ATOM 377 C CD2 . LEU A 0 48 . 11.235 -6.451 -6.693 1.00 92.47 48 A 1 ATOM 378 N N . ASN A 0 49 . 7.293 -8.584 -4.081 1.00 93.17 49 A 1 ATOM 379 C CA . ASN A 0 49 . 6.560 -7.882 -3.033 1.00 93.17 49 A 1 ATOM 380 C C . ASN A 0 49 . 7.519 -7.039 -2.191 1.00 93.17 49 A 1 ATOM 381 C CB . ASN A 0 49 . 5.798 -8.906 -2.181 1.00 93.17 49 A 1 ATOM 382 O O . ASN A 0 49 . 8.574 -7.524 -1.775 1.00 93.17 49 A 1 ATOM 383 C CG . ASN A 0 49 . 4.756 -9.648 -2.995 1.00 93.17 49 A 1 ATOM 384 N ND2 . ASN A 0 49 . 4.679 -10.951 -2.868 1.00 93.17 49 A 1 ATOM 385 O OD1 . ASN A 0 49 . 4.004 -9.074 -3.762 1.00 93.17 49 A 1 ATOM 386 N N . LEU A 0 50 . 7.137 -5.789 -1.928 1.00 91.64 50 A 1 ATOM 387 C CA . LEU A 0 50 . 7.859 -4.875 -1.047 1.00 91.64 50 A 1 ATOM 388 C C . LEU A 0 50 . 6.961 -4.512 0.134 1.00 91.64 50 A 1 ATOM 389 C CB . LEU A 0 50 . 8.309 -3.618 -1.812 1.00 91.64 50 A 1 ATOM 390 O O . LEU A 0 50 . 5.877 -3.965 -0.054 1.00 91.64 50 A 1 ATOM 391 C CG . LEU A 0 50 . 9.228 -3.869 -3.021 1.00 91.64 50 A 1 ATOM 392 C CD1 . LEU A 0 50 . 9.544 -2.546 -3.720 1.00 91.64 50 A 1 ATOM 393 C CD2 . LEU A 0 50 . 10.553 -4.514 -2.616 1.00 91.64 50 A 1 ATOM 394 N N . GLU A 0 51 . 7.423 -4.796 1.344 1.00 91.39 51 A 1 ATOM 395 C CA . GLU A 0 51 . 6.695 -4.526 2.582 1.00 91.39 51 A 1 ATOM 396 C C . GLU A 0 51 . 7.525 -3.624 3.481 1.00 91.39 51 A 1 ATOM 397 C CB . GLU A 0 51 . 6.380 -5.828 3.323 1.00 91.39 51 A 1 ATOM 398 O O . GLU A 0 51 . 8.718 -3.850 3.668 1.00 91.39 51 A 1 ATOM 399 C CG . GLU A 0 51 . 5.364 -6.708 2.584 1.00 91.39 51 A 1 ATOM 400 C CD . GLU A 0 51 . 5.097 -8.027 3.325 1.00 91.39 51 A 1 ATOM 401 O OE1 . GLU A 0 51 . 4.586 -8.957 2.665 1.00 91.39 51 A 1 ATOM 402 O OE2 . GLU A 0 51 . 5.425 -8.112 4.535 1.00 91.39 51 A 1 ATOM 403 N N . ALA A 0 52 . 6.904 -2.617 4.085 1.00 89.15 52 A 1 ATOM 404 C CA . ALA A 0 52 . 7.573 -1.772 5.057 1.00 89.15 52 A 1 ATOM 405 C C . ALA A 0 52 . 6.597 -1.397 6.174 1.00 89.15 52 A 1 ATOM 406 C CB . ALA A 0 52 . 8.137 -0.544 4.350 1.00 89.15 52 A 1 ATOM 407 O O . ALA A 0 52 . 5.464 -0.997 5.894 1.00 89.15 52 A 1 ATOM 408 N N . PRO A 0 53 . 7.004 -1.511 7.446 1.00 87.19 53 A 1 ATOM 409 C CA . PRO A 0 53 . 6.195 -1.015 8.541 1.00 87.19 53 A 1 ATOM 410 C C . PRO A 0 53 . 6.085 0.503 8.434 1.00 87.19 53 A 1 ATOM 411 C CB . PRO A 0 53 . 6.913 -1.458 9.812 1.00 87.19 53 A 1 ATOM 412 O O . PRO A 0 53 . 7.095 1.202 8.307 1.00 87.19 53 A 1 ATOM 413 C CG . PRO A 0 53 . 8.372 -1.543 9.362 1.00 87.19 53 A 1 ATOM 414 C CD . PRO A 0 53 . 8.295 -1.980 7.912 1.00 87.19 53 A 1 ATOM 415 N N . ARG A 0 54 . 4.859 1.012 8.547 1.00 83.58 54 A 1 ATOM 416 C CA . ARG A 0 54 . 4.649 2.448 8.712 1.00 83.58 54 A 1 ATOM 417 C C . ARG A 0 54 . 5.319 2.896 10.011 1.00 83.58 54 A 1 ATOM 418 C CB . ARG A 0 54 . 3.158 2.811 8.642 1.00 83.58 54 A 1 ATOM 419 O O . ARG A 0 54 . 5.311 2.185 11.022 1.00 83.58 54 A 1 ATOM 420 C CG . ARG A 0 54 . 2.579 2.486 7.251 1.00 83.58 54 A 1 ATOM 421 C CD . ARG A 0 54 . 1.111 2.905 7.108 1.00 83.58 54 A 1 ATOM 422 N NE . ARG A 0 54 . 0.956 4.372 7.082 1.00 83.58 54 A 1 ATOM 423 N NH1 . ARG A 0 54 . -1.292 4.442 6.612 1.00 83.58 54 A 1 ATOM 424 N NH2 . ARG A 0 54 . -0.144 6.345 6.851 1.00 83.58 54 A 1 ATOM 425 C CZ . ARG A 0 54 . -0.157 5.043 6.849 1.00 83.58 54 A 1 ATOM 426 N N . GLY A 0 55 . 5.962 4.049 9.950 1.00 77.29 55 A 1 ATOM 427 C CA . GLY A 0 55 . 6.392 4.812 11.100 1.00 77.29 55 A 1 ATOM 428 C C . GLY A 0 55 . 5.186 5.008 12.000 1.00 77.29 55 A 1 ATOM 429 O O . GLY A 0 55 . 4.065 5.244 11.561 1.00 77.29 55 A 1 ATOM 430 N N . GLY A 0 56 . 5.393 4.761 13.282 1.00 65.24 56 A 1 ATOM 431 C CA . GLY A 0 56 . 4.374 4.967 14.289 1.00 65.24 56 A 1 ATOM 432 C C . GLY A 0 56 . 4.402 6.409 14.749 1.00 65.24 56 A 1 ATOM 433 O O . GLY A 0 56 . 4.447 6.630 15.957 1.00 65.24 56 A 1 ATOM 434 N N . ARG A 0 57 . 4.348 7.395 13.837 1.00 63.09 57 A 1 ATOM 435 C CA . ARG A 0 57 . 3.626 8.599 14.238 1.00 63.09 57 A 1 ATOM 436 C C . ARG A 0 57 . 2.218 8.081 14.424 1.00 63.09 57 A 1 ATOM 437 C CB . ARG A 0 57 . 3.680 9.720 13.198 1.00 63.09 57 A 1 ATOM 438 O O . ARG A 0 57 . 1.482 7.893 13.460 1.00 63.09 57 A 1 ATOM 439 C CG . ARG A 0 57 . 5.112 10.132 12.877 1.00 63.09 57 A 1 ATOM 440 C CD . ARG A 0 57 . 5.091 11.282 11.872 1.00 63.09 57 A 1 ATOM 441 N NE . ARG A 0 57 . 6.294 11.251 11.034 1.00 63.09 57 A 1 ATOM 442 N NH1 . ARG A 0 57 . 6.309 13.467 10.424 1.00 63.09 57 A 1 ATOM 443 N NH2 . ARG A 0 57 . 7.830 12.059 9.586 1.00 63.09 57 A 1 ATOM 444 C CZ . ARG A 0 57 . 6.806 12.261 10.361 1.00 63.09 57 A 1 ATOM 445 N N . HIS A 0 58 . 1.906 7.719 15.662 1.00 60.34 58 A 1 ATOM 446 C CA . HIS A 0 58 . 0.550 7.711 16.140 1.00 60.34 58 A 1 ATOM 447 C C . HIS A 0 58 . 0.108 9.126 15.808 1.00 60.34 58 A 1 ATOM 448 C CB . HIS A 0 58 . 0.563 7.378 17.643 1.00 60.34 58 A 1 ATOM 449 O O . HIS A 0 58 . 0.443 10.078 16.506 1.00 60.34 58 A 1 ATOM 450 C CG . HIS A 0 58 . -0.699 6.737 18.147 1.00 60.34 58 A 1 ATOM 451 C CD2 . HIS A 0 58 . -1.021 5.411 18.042 1.00 60.34 58 A 1 ATOM 452 N ND1 . HIS A 0 58 . -1.687 7.344 18.887 1.00 60.34 58 A 1 ATOM 453 C CE1 . HIS A 0 58 . -2.587 6.399 19.212 1.00 60.34 58 A 1 ATOM 454 N NE2 . HIS A 0 58 . -2.219 5.198 18.726 1.00 60.34 58 A 1 ATOM 455 N N . LEU A 0 59 . -0.459 9.308 14.614 1.00 62.44 59 A 1 ATOM 456 C CA . LEU A 0 59 . -1.288 10.455 14.409 1.00 62.44 59 A 1 ATOM 457 C C . LEU A 0 59 . -2.254 10.263 15.562 1.00 62.44 59 A 1 ATOM 458 C CB . LEU A 0 59 . -1.969 10.412 13.032 1.00 62.44 59 A 1 ATOM 459 O O . LEU A 0 59 . -2.918 9.224 15.637 1.00 62.44 59 A 1 ATOM 460 C CG . LEU A 0 59 . -1.047 10.418 11.802 1.00 62.44 59 A 1 ATOM 461 C CD1 . LEU A 0 59 . -1.883 10.261 10.528 1.00 62.44 59 A 1 ATOM 462 C CD2 . LEU A 0 59 . -0.248 11.718 11.691 1.00 62.44 59 A 1 ATOM 463 N N . ASP A 0 60 . -2.267 11.196 16.499 1.00 61.47 60 A 1 ATOM 464 C CA . ASP A 0 60 . -3.398 11.379 17.389 1.00 61.47 60 A 1 ATOM 465 C C . ASP A 0 60 . -4.583 11.798 16.499 1.00 61.47 60 A 1 ATOM 466 C CB . ASP A 0 60 . -3.039 12.399 18.480 1.00 61.47 60 A 1 ATOM 467 O O . ASP A 0 60 . -5.156 12.872 16.631 1.00 61.47 60 A 1 ATOM 468 C CG . ASP A 0 60 . -1.839 11.970 19.335 1.00 61.47 60 A 1 ATOM 469 O OD1 . ASP A 0 60 . -1.790 10.778 19.733 1.00 61.47 60 A 1 ATOM 470 O OD2 . ASP A 0 60 . -0.969 12.840 19.569 1.00 61.47 60 A 1 ATOM 471 N N . THR A 0 61 . -4.883 10.984 15.479 1.00 65.46 61 A 1 ATOM 472 C CA . THR A 0 61 . -6.070 11.025 14.670 1.00 65.46 61 A 1 ATOM 473 C C . THR A 0 61 . -7.121 10.594 15.652 1.00 65.46 61 A 1 ATOM 474 C CB . THR A 0 61 . -5.999 10.090 13.449 1.00 65.46 61 A 1 ATOM 475 O O . THR A 0 61 . -7.396 9.408 15.834 1.00 65.46 61 A 1 ATOM 476 C CG2 . THR A 0 61 . -7.254 10.192 12.584 1.00 65.46 61 A 1 ATOM 477 O OG1 . THR A 0 61 . -4.952 10.472 12.592 1.00 65.46 61 A 1 ATOM 478 N N . GLU A 0 62 . -7.643 11.593 16.350 1.00 76.60 62 A 1 ATOM 479 C CA . GLU A 0 62 . -8.949 11.515 16.953 1.00 76.60 62 A 1 ATOM 480 C C . GLU A 0 62 . -9.851 10.838 15.923 1.00 76.60 62 A 1 ATOM 481 C CB . GLU A 0 62 . -9.444 12.921 17.313 1.00 76.60 62 A 1 ATOM 482 O O . GLU A 0 62 . -9.929 11.250 14.758 1.00 76.60 62 A 1 ATOM 483 C CG . GLU A 0 62 . -8.578 13.564 18.411 1.00 76.60 62 A 1 ATOM 484 C CD . GLU A 0 62 . -9.095 14.940 18.862 1.00 76.60 62 A 1 ATOM 485 O OE1 . GLU A 0 62 . -8.680 15.377 19.959 1.00 76.60 62 A 1 ATOM 486 O OE2 . GLU A 0 62 . -9.892 15.555 18.116 1.00 76.60 62 A 1 ATOM 487 N N . VAL A 0 63 . -10.432 9.710 16.321 1.00 81.28 63 A 1 ATOM 488 C CA . VAL A 0 63 . -11.393 9.006 15.485 1.00 81.28 63 A 1 ATOM 489 C C . VAL A 0 63 . -12.534 9.987 15.253 1.00 81.28 63 A 1 ATOM 490 C CB . VAL A 0 63 . -11.872 7.711 16.165 1.00 81.28 63 A 1 ATOM 491 O O . VAL A 0 63 . -13.273 10.311 16.178 1.00 81.28 63 A 1 ATOM 492 C CG1 . VAL A 0 63 . -12.976 7.024 15.353 1.00 81.28 63 A 1 ATOM 493 C CG2 . VAL A 0 63 . -10.708 6.719 16.315 1.00 81.28 63 A 1 ATOM 494 N N . ASN A 0 64 . -12.652 10.500 14.029 1.00 83.96 64 A 1 ATOM 495 C CA . ASN A 0 64 . -13.776 11.351 13.680 1.00 83.96 64 A 1 ATOM 496 C C . ASN A 0 64 . -14.995 10.460 13.433 1.00 83.96 64 A 1 ATOM 497 C CB . ASN A 0 64 . -13.431 12.250 12.486 1.00 83.96 64 A 1 ATOM 498 O O . ASN A 0 64 . -15.172 9.914 12.342 1.00 83.96 64 A 1 ATOM 499 C CG . ASN A 0 64 . -14.567 13.219 12.199 1.00 83.96 64 A 1 ATOM 500 N ND2 . ASN A 0 64 . -14.743 13.621 10.964 1.00 83.96 64 A 1 ATOM 501 O OD1 . ASN A 0 64 . -15.308 13.644 13.065 1.00 83.96 64 A 1 ATOM 502 N N . GLU A 0 65 . -15.815 10.285 14.462 1.00 88.17 65 A 1 ATOM 503 C CA . GLU A 0 65 . -17.100 9.610 14.338 1.00 88.17 65 A 1 ATOM 504 C C . GLU A 0 65 . -18.083 10.512 13.582 1.00 88.17 65 A 1 ATOM 505 C CB . GLU A 0 65 . -17.654 9.227 15.714 1.00 88.17 65 A 1 ATOM 506 O O . GLU A 0 65 . -18.554 11.528 14.094 1.00 88.17 65 A 1 ATOM 507 C CG . GLU A 0 65 . -16.785 8.185 16.435 1.00 88.17 65 A 1 ATOM 508 C CD . GLU A 0 65 . -17.419 7.694 17.747 1.00 88.17 65 A 1 ATOM 509 O OE1 . GLU A 0 65 . -16.847 6.741 18.324 1.00 88.17 65 A 1 ATOM 510 O OE2 . GLU A 0 65 . -18.474 8.246 18.155 1.00 88.17 65 A 1 ATOM 511 N N . VAL A 0 66 . -18.407 10.138 12.343 1.00 89.98 66 A 1 ATOM 512 C CA . VAL A 0 66 . -19.423 10.829 11.542 1.00 89.98 66 A 1 ATOM 513 C C . VAL A 0 66 . -20.740 10.068 11.649 1.00 89.98 66 A 1 ATOM 514 C CB . VAL A 0 66 . -18.979 11.016 10.081 1.00 89.98 66 A 1 ATOM 515 O O . VAL A 0 66 . -20.862 8.944 11.163 1.00 89.98 66 A 1 ATOM 516 C CG1 . VAL A 0 66 . -20.025 11.819 9.293 1.00 89.98 66 A 1 ATOM 517 C CG2 . VAL A 0 66 . -17.648 11.777 9.995 1.00 89.98 66 A 1 ATOM 518 N N . TYR A 0 67 . -21.743 10.695 12.258 1.00 90.00 67 A 1 ATOM 519 C CA . TYR A 0 67 . -23.091 10.142 12.355 1.00 90.00 67 A 1 ATOM 520 C C . TYR A 0 67 . -23.858 10.378 11.053 1.00 90.00 67 A 1 ATOM 521 C CB . TYR A 0 67 . -23.820 10.730 13.570 1.00 90.00 67 A 1 ATOM 522 O O . TYR A 0 67 . -24.058 11.516 10.628 1.00 90.00 67 A 1 ATOM 523 C CG . TYR A 0 67 . -23.211 10.292 14.889 1.00 90.00 67 A 1 ATOM 524 C CD1 . TYR A 0 67 . -23.670 9.117 15.516 1.00 90.00 67 A 1 ATOM 525 C CD2 . TYR A 0 67 . -22.141 11.015 15.455 1.00 90.00 67 A 1 ATOM 526 C CE1 . TYR A 0 67 . -23.053 8.664 16.699 1.00 90.00 67 A 1 ATOM 527 C CE2 . TYR A 0 67 . -21.498 10.539 16.616 1.00 90.00 67 A 1 ATOM 528 O OH . TYR A 0 67 . -21.316 8.840 18.327 1.00 90.00 67 A 1 ATOM 529 C CZ . TYR A 0 67 . -21.948 9.356 17.238 1.00 90.00 67 A 1 ATOM 530 N N . ILE A 0 68 . -24.313 9.293 10.428 1.00 90.59 68 A 1 ATOM 531 C CA . ILE A 0 68 . -25.194 9.349 9.262 1.00 90.59 68 A 1 ATOM 532 C C . ILE A 0 68 . -26.654 9.329 9.714 1.00 90.59 68 A 1 ATOM 533 C CB . ILE A 0 68 . -24.858 8.257 8.223 1.00 90.59 68 A 1 ATOM 534 O O . ILE A 0 68 . -27.059 8.499 10.526 1.00 90.59 68 A 1 ATOM 535 C CG1 . ILE A 0 68 . -24.933 6.824 8.800 1.00 90.59 68 A 1 ATOM 536 C CG2 . ILE A 0 68 . -23.471 8.555 7.622 1.00 90.59 68 A 1 ATOM 537 C CD1 . ILE A 0 68 . -24.782 5.723 7.744 1.00 90.59 68 A 1 ATOM 538 N N . SER A 0 69 . -27.449 10.255 9.185 1.00 89.05 69 A 1 ATOM 539 C CA . SER A 0 69 . -28.901 10.242 9.361 1.00 89.05 69 A 1 ATOM 540 C C . SER A 0 69 . -29.530 9.498 8.191 1.00 89.05 69 A 1 ATOM 541 C CB . SER A 0 69 . -29.449 11.665 9.466 1.00 89.05 69 A 1 ATOM 542 O O . SER A 0 69 . -29.282 9.841 7.035 1.00 89.05 69 A 1 ATOM 543 O OG . SER A 0 69 . -28.899 12.296 10.606 1.00 89.05 69 A 1 ATOM 544 N N . LEU A 0 70 . -30.337 8.481 8.484 1.00 88.59 70 A 1 ATOM 545 C CA . LEU A 0 70 . -31.160 7.822 7.475 1.00 88.59 70 A 1 ATOM 546 C C . LEU A 0 70 . -32.345 8.738 7.168 1.00 88.59 70 A 1 ATOM 547 C CB . LEU A 0 70 . -31.610 6.438 7.978 1.00 88.59 70 A 1 ATOM 548 O O . LEU A 0 70 . -33.158 9.017 8.048 1.00 88.59 70 A 1 ATOM 549 C CG . LEU A 0 70 . -30.464 5.436 8.210 1.00 88.59 70 A 1 ATOM 550 C CD1 . LEU A 0 70 . -31.014 4.168 8.862 1.00 88.59 70 A 1 ATOM 551 C CD2 . LEU A 0 70 . -29.760 5.041 6.909 1.00 88.59 70 A 1 ATOM 552 N N . LEU A 0 71 . -32.424 9.229 5.933 1.00 86.28 71 A 1 ATOM 553 C CA . LEU A 0 71 . -33.639 9.880 5.456 1.00 86.28 71 A 1 ATOM 554 C C . LEU A 0 71 . -34.727 8.812 5.265 1.00 86.28 71 A 1 ATOM 555 C CB . LEU A 0 71 . -33.354 10.667 4.164 1.00 86.28 71 A 1 ATOM 556 O O . LEU A 0 71 . -34.394 7.681 4.892 1.00 86.28 71 A 1 ATOM 557 C CG . LEU A 0 71 . -32.429 11.882 4.368 1.00 86.28 71 A 1 ATOM 558 C CD1 . LEU A 0 71 . -32.060 12.483 3.013 1.00 86.28 71 A 1 ATOM 559 C CD2 . LEU A 0 71 . -33.084 12.980 5.212 1.00 86.28 71 A 1 ATOM 560 N N . PRO A 0 72 . -36.005 9.136 5.530 1.00 84.21 72 A 1 ATOM 561 C CA . PRO A 0 72 . -37.097 8.228 5.213 1.00 84.21 72 A 1 ATOM 562 C C . PRO A 0 72 . -37.064 7.881 3.723 1.00 84.21 72 A 1 ATOM 563 C CB . PRO A 0 72 . -38.382 8.954 5.623 1.00 84.21 72 A 1 ATOM 564 O O . PRO A 0 72 . -36.655 8.703 2.896 1.00 84.21 72 A 1 ATOM 565 C CG . PRO A 0 72 . -37.998 10.431 5.545 1.00 84.21 72 A 1 ATOM 566 C CD . PRO A 0 72 . -36.523 10.433 5.940 1.00 84.21 72 A 1 ATOM 567 N N . ALA A 0 73 . -37.477 6.654 3.396 1.00 84.89 73 A 1 ATOM 568 C CA . ALA A 0 73 . -37.650 6.256 2.007 1.00 84.89 73 A 1 ATOM 569 C C . ALA A 0 73 . -38.588 7.265 1.317 1.00 84.89 73 A 1 ATOM 570 C CB . ALA A 0 73 . -38.195 4.823 1.946 1.00 84.89 73 A 1 ATOM 571 O O . ALA A 0 73 . -39.574 7.679 1.936 1.00 84.89 73 A 1 ATOM 572 N N . PRO A 0 74 . -38.273 7.715 0.089 1.00 81.67 74 A 1 ATOM 573 C CA . PRO A 0 74 . -39.206 8.538 -0.667 1.00 81.67 74 A 1 ATOM 574 C C . PRO A 0 74 . -40.549 7.799 -0.799 1.00 81.67 74 A 1 ATOM 575 C CB . PRO A 0 74 . -38.533 8.811 -2.015 1.00 81.67 74 A 1 ATOM 576 O O . PRO A 0 74 . -40.528 6.569 -0.890 1.00 81.67 74 A 1 ATOM 577 C CG . PRO A 0 74 . -37.485 7.705 -2.151 1.00 81.67 74 A 1 ATOM 578 C CD . PRO A 0 74 . -37.121 7.346 -0.714 1.00 81.67 74 A 1 ATOM 579 N N . PRO A 0 75 . -41.690 8.516 -0.770 1.00 79.18 75 A 1 ATOM 580 C CA . PRO A 0 75 . -42.999 7.887 -0.890 1.00 79.18 75 A 1 ATOM 581 C C . PRO A 0 75 . -43.075 7.099 -2.197 1.00 79.18 75 A 1 ATOM 582 C CB . PRO A 0 75 . -44.027 9.023 -0.827 1.00 79.18 75 A 1 ATOM 583 O O . PRO A 0 75 . -42.608 7.571 -3.241 1.00 79.18 75 A 1 ATOM 584 C CG . PRO A 0 75 . -43.237 10.247 -1.287 1.00 79.18 75 A 1 ATOM 585 C CD . PRO A 0 75 . -41.824 9.964 -0.776 1.00 79.18 75 A 1 ATOM 586 N N . ASP A 0 76 . -43.643 5.896 -2.126 1.00 78.81 76 A 1 ATOM 587 C CA . ASP A 0 76 . -43.915 5.109 -3.317 1.00 78.81 76 A 1 ATOM 588 C C . ASP A 0 76 . -44.890 5.907 -4.200 1.00 78.81 76 A 1 ATOM 589 C CB . ASP A 0 76 . -44.468 3.720 -2.953 1.00 78.81 76 A 1 ATOM 590 O O . ASP A 0 76 . -45.912 6.391 -3.703 1.00 78.81 76 A 1 ATOM 591 C CG . ASP A 0 76 . -43.389 2.789 -2.379 1.00 78.81 76 A 1 ATOM 592 O OD1 . ASP A 0 76 . -42.295 2.721 -2.990 1.00 78.81 76 A 1 ATOM 593 O OD2 . ASP A 0 76 . -43.653 2.128 -1.350 1.00 78.81 76 A 1 ATOM 594 N N . PRO A 0 77 . -44.614 6.060 -5.509 1.00 75.38 77 A 1 ATOM 595 C CA . PRO A 0 77 . -45.442 6.870 -6.406 1.00 75.38 77 A 1 ATOM 596 C C . PRO A 0 77 . -46.891 6.364 -6.525 1.00 75.38 77 A 1 ATOM 597 C CB . PRO A 0 77 . -44.709 6.837 -7.753 1.00 75.38 77 A 1 ATOM 598 O O . PRO A 0 77 . -47.731 7.042 -7.108 1.00 75.38 77 A 1 ATOM 599 C CG . PRO A 0 77 . -43.908 5.536 -7.703 1.00 75.38 77 A 1 ATOM 600 C CD . PRO A 0 77 . -43.521 5.435 -6.233 1.00 75.38 77 A 1 ATOM 601 N N . GLU A 0 78 . -47.190 5.179 -5.990 1.00 68.39 78 A 1 ATOM 602 C CA . GLU A 0 78 . -48.512 4.556 -6.022 1.00 68.39 78 A 1 ATOM 603 C C . GLU A 0 78 . -49.459 5.111 -4.936 1.00 68.39 78 A 1 ATOM 604 C CB . GLU A 0 78 . -48.346 3.022 -5.941 1.00 68.39 78 A 1 ATOM 605 O O . GLU A 0 78 . -50.668 5.141 -5.156 1.00 68.39 78 A 1 ATOM 606 C CG . GLU A 0 78 . -47.459 2.469 -7.081 1.00 68.39 78 A 1 ATOM 607 C CD . GLU A 0 78 . -47.345 0.932 -7.141 1.00 68.39 78 A 1 ATOM 608 O OE1 . GLU A 0 78 . -46.707 0.447 -8.108 1.00 68.39 78 A 1 ATOM 609 O OE2 . GLU A 0 78 . -47.891 0.234 -6.258 1.00 68.39 78 A 1 ATOM 610 N N . GLU A 0 79 . -48.949 5.627 -3.806 1.00 61.24 79 A 1 ATOM 611 C CA . GLU A 0 79 . -49.799 6.162 -2.723 1.00 61.24 79 A 1 ATOM 612 C C . GLU A 0 79 . -50.283 7.600 -2.992 1.00 61.24 79 A 1 ATOM 613 C CB . GLU A 0 79 . -49.091 6.059 -1.357 1.00 61.24 79 A 1 ATOM 614 O O . GLU A 0 79 . -51.369 7.970 -2.546 1.00 61.24 79 A 1 ATOM 615 C CG . GLU A 0 79 . -48.975 4.607 -0.852 1.00 61.24 79 A 1 ATOM 616 C CD . GLU A 0 79 . -48.392 4.484 0.572 1.00 61.24 79 A 1 ATOM 617 O OE1 . GLU A 0 79 . -48.533 3.388 1.167 1.00 61.24 79 A 1 ATOM 618 O OE2 . GLU A 0 79 . -47.827 5.478 1.089 1.00 61.24 79 A 1 ATOM 619 N N . GLU A 0 80 . -49.553 8.405 -3.778 1.00 59.92 80 A 1 ATOM 620 C CA . GLU A 0 80 . -49.996 9.758 -4.167 1.00 59.92 80 A 1 ATOM 621 C C . GLU A 0 80 . -51.237 9.741 -5.080 1.00 59.92 80 A 1 ATOM 622 C CB . GLU A 0 80 . -48.849 10.560 -4.813 1.00 59.92 80 A 1 ATOM 623 O O . GLU A 0 80 . -52.036 10.683 -5.059 1.00 59.92 80 A 1 ATOM 624 C CG . GLU A 0 80 . -47.928 11.198 -3.756 1.00 59.92 80 A 1 ATOM 625 C CD . GLU A 0 80 . -46.811 12.081 -4.348 1.00 59.92 80 A 1 ATOM 626 O OE1 . GLU A 0 80 . -46.297 12.946 -3.596 1.00 59.92 80 A 1 ATOM 627 O OE2 . GLU A 0 80 . -46.465 11.915 -5.540 1.00 59.92 80 A 1 ATOM 628 N N . GLU A 0 81 . -51.455 8.664 -5.842 1.00 60.65 81 A 1 ATOM 629 C CA . GLU A 0 81 . -52.634 8.554 -6.706 1.00 60.65 81 A 1 ATOM 630 C C . GLU A 0 81 . -53.909 8.184 -5.922 1.00 60.65 81 A 1 ATOM 631 C CB . GLU A 0 81 . -52.369 7.595 -7.888 1.00 60.65 81 A 1 ATOM 632 O O . GLU A 0 81 . -55.011 8.548 -6.342 1.00 60.65 81 A 1 ATOM 633 C CG . GLU A 0 81 . -53.073 8.113 -9.157 1.00 60.65 81 A 1 ATOM 634 C CD . GLU A 0 81 . -53.087 7.134 -10.346 1.00 60.65 81 A 1 ATOM 635 O OE1 . GLU A 0 81 . -54.155 7.080 -11.024 1.00 60.65 81 A 1 ATOM 636 O OE2 . GLU A 0 81 . -52.063 6.471 -10.612 1.00 60.65 81 A 1 ATOM 637 N N . GLU A 0 82 . -53.792 7.520 -4.764 1.00 60.63 82 A 1 ATOM 638 C CA . GLU A 0 82 . -54.953 7.165 -3.933 1.00 60.63 82 A 1 ATOM 639 C C . GLU A 0 82 . -55.479 8.375 -3.145 1.00 60.63 82 A 1 ATOM 640 C CB . GLU A 0 82 . -54.640 5.954 -3.033 1.00 60.63 82 A 1 ATOM 641 O O . GLU A 0 82 . -56.689 8.614 -3.124 1.00 60.63 82 A 1 ATOM 642 C CG . GLU A 0 82 . -55.930 5.422 -2.377 1.00 60.63 82 A 1 ATOM 643 C CD . GLU A 0 82 . -55.763 4.092 -1.620 1.00 60.63 82 A 1 ATOM 644 O OE1 . GLU A 0 82 . -56.404 3.954 -0.550 1.00 60.63 82 A 1 ATOM 645 O OE2 . GLU A 0 82 . -55.095 3.181 -2.156 1.00 60.63 82 A 1 ATOM 646 N N . ILE A 0 83 . -54.592 9.215 -2.597 1.00 57.54 83 A 1 ATOM 647 C CA . ILE A 0 83 . -54.997 10.468 -1.927 1.00 57.54 83 A 1 ATOM 648 C C . ILE A 0 83 . -55.639 11.470 -2.897 1.00 57.54 83 A 1 ATOM 649 C CB . ILE A 0 83 . -53.855 11.151 -1.122 1.00 57.54 83 A 1 ATOM 650 O O . ILE A 0 83 . -56.534 12.209 -2.497 1.00 57.54 83 A 1 ATOM 651 C CG1 . ILE A 0 83 . -52.458 10.551 -1.369 1.00 57.54 83 A 1 ATOM 652 C CG2 . ILE A 0 83 . -54.207 11.108 0.375 1.00 57.54 83 A 1 ATOM 653 C CD1 . ILE A 0 83 . -51.287 11.367 -0.812 1.00 57.54 83 A 1 ATOM 654 N N . ALA A 0 84 . -55.256 11.467 -4.178 1.00 60.27 84 A 1 ATOM 655 C CA . ALA A 0 84 . -55.866 12.336 -5.189 1.00 60.27 84 A 1 ATOM 656 C C . ALA A 0 84 . -57.267 11.878 -5.644 1.00 60.27 84 A 1 ATOM 657 C CB . ALA A 0 84 . -54.902 12.443 -6.374 1.00 60.27 84 A 1 ATOM 658 O O . ALA A 0 84 . -57.980 12.641 -6.298 1.00 60.27 84 A 1 ATOM 659 N N . ARG A 0 85 . -57.679 10.640 -5.331 1.00 63.42 85 A 1 ATOM 660 C CA . ARG A 0 85 . -58.995 10.095 -5.719 1.00 63.42 85 A 1 ATOM 661 C C . ARG A 0 85 . -60.036 10.118 -4.604 1.00 63.42 85 A 1 ATOM 662 C CB . ARG A 0 85 . -58.829 8.690 -6.307 1.00 63.42 85 A 1 ATOM 663 O O . ARG A 0 85 . -61.192 9.800 -4.873 1.00 63.42 85 A 1 ATOM 664 C CG . ARG A 0 85 . -58.183 8.734 -7.696 1.00 63.42 85 A 1 ATOM 665 C CD . ARG A 0 85 . -58.182 7.328 -8.290 1.00 63.42 85 A 1 ATOM 666 N NE . ARG A 0 85 . -57.459 7.286 -9.574 1.00 63.42 85 A 1 ATOM 667 N NH1 . ARG A 0 85 . -58.747 5.719 -10.643 1.00 63.42 85 A 1 ATOM 668 N NH2 . ARG A 0 85 . -56.846 6.461 -11.587 1.00 63.42 85 A 1 ATOM 669 C CZ . ARG A 0 85 . -57.695 6.496 -10.600 1.00 63.42 85 A 1 ATOM 670 N N . VAL A 0 86 . -59.660 10.505 -3.387 1.00 53.14 86 A 1 ATOM 671 C CA . VAL A 0 86 . -60.580 10.639 -2.246 1.00 53.14 86 A 1 ATOM 672 C C . VAL A 0 86 . -60.794 12.122 -1.918 1.00 53.14 86 A 1 ATOM 673 C CB . VAL A 0 86 . -60.149 9.760 -1.047 1.00 53.14 86 A 1 ATOM 674 O O . VAL A 0 86 . -60.600 12.563 -0.789 1.00 53.14 86 A 1 ATOM 675 C CG1 . VAL A 0 86 . -61.229 9.689 0.050 1.00 53.14 86 A 1 ATOM 676 C CG2 . VAL A 0 86 . -59.913 8.302 -1.477 1.00 53.14 86 A 1 ATOM 677 N N . GLU A 0 87 . -61.219 12.908 -2.909 1.00 53.58 87 A 1 ATOM 678 C CA . GLU A 0 87 . -61.995 14.129 -2.652 1.00 53.58 87 A 1 ATOM 679 C C . GLU A 0 87 . -63.464 13.877 -3.063 1.00 53.58 87 A 1 ATOM 680 C CB . GLU A 0 87 . -61.387 15.386 -3.302 1.00 53.58 87 A 1 ATOM 681 O O . GLU A 0 87 . -63.692 13.277 -4.117 1.00 53.58 87 A 1 ATOM 682 C CG . GLU A 0 87 . -60.173 15.921 -2.518 1.00 53.58 87 A 1 ATOM 683 C CD . GLU A 0 87 . -59.851 17.388 -2.860 1.00 53.58 87 A 1 ATOM 684 O OE1 . GLU A 0 87 . -59.764 18.207 -1.912 1.00 53.58 87 A 1 ATOM 685 O OE2 . GLU A 0 87 . -59.710 17.705 -4.064 1.00 53.58 87 A 1 ATOM 686 N N . PRO A 0 88 . -64.443 14.232 -2.203 1.00 54.30 88 A 1 ATOM 687 C CA . PRO A 0 88 . -65.834 13.760 -2.260 1.00 54.30 88 A 1 ATOM 688 C C . PRO A 0 88 . -66.706 14.382 -3.361 1.00 54.30 88 A 1 ATOM 689 C CB . PRO A 0 88 . -66.413 14.067 -0.875 1.00 54.30 88 A 1 ATOM 690 O O . PRO A 0 88 . -66.464 15.547 -3.749 1.00 54.30 88 A 1 ATOM 691 C CG . PRO A 0 88 . -65.645 15.319 -0.459 1.00 54.30 88 A 1 ATOM 692 C CD . PRO A 0 88 . -64.253 15.055 -1.020 1.00 54.30 88 A 1 ATOM 693 O OXT . PRO A 0 88 . -67.701 13.700 -3.702 1.00 54.30 88 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 75.95 # loop_ _atom_type.symbol C N O S #