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 LYS 0 3 CYS 0 4 LEU 0 5 SER 0 6 SER 0 7 GLY 0 8 GLY 0 9 GLY 0 10 GLY 0 11 GLY 0 12 GLU 0 13 CYS 0 14 GLU 0 15 GLU 0 16 HIS 0 17 ASP 0 18 GLU 0 19 GLN 0 20 GLU 0 21 ILE 0 22 ASN 0 23 ALA 0 24 GLU 0 25 TYR 0 26 LEU 0 27 GLU 0 28 LYS 0 29 PHE 0 30 THR 0 31 LYS 0 32 MET 0 33 ILE 0 34 LYS 0 35 ASN 0 36 ALA 0 37 SER 0 38 MET 0 39 LEU 0 40 ALA 0 41 ASN 0 42 ARG 0 43 LEU 0 44 SER 0 45 SER 0 46 ASN 0 47 GLN 0 48 LEU 0 49 LEU 0 50 SER 0 51 ALA 0 52 PHE 0 53 GLN 0 54 ILE 0 55 SER 0 56 PHE 0 57 HIS 0 58 LEU 0 59 MET 0 60 GLU 0 61 LYS 0 62 ILE 0 63 SER 0 64 PHE 0 65 VAL 0 66 ILE 0 67 LEU 0 68 SER 0 69 MET 0 70 CYS 0 71 LYS 0 72 SER 0 73 SER 0 74 LYS 0 75 GLY 0 76 GLU 0 77 THR 0 78 ASP 0 79 GLU 0 80 LEU 0 81 LYS 0 82 SER 0 83 PHE 0 84 GLN 0 85 THR 0 86 ALA 0 87 TRP 0 88 LYS 0 89 TYR 0 90 PRO 0 91 SER 0 92 TYR 0 93 PRO 0 94 ARG 0 95 CYS 0 96 MET 0 97 ILE 0 98 ASN 0 99 ASP 0 100 SER 0 101 PRO 0 102 MET 0 103 ASP 0 104 PHE 0 105 SER 0 106 SER 0 107 MET 0 108 ARG 0 109 THR 0 110 GLN 0 111 SER 0 112 SER 0 113 ASN 0 114 GLU 0 115 VAL 0 116 ARG 0 117 SER 0 118 VAL 0 119 ILE 0 120 SER 0 121 SER 0 122 GLY 0 123 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 . 41.542 4.270 -16.476 1.00 44.66 1 A 1 ATOM 2 C CA . MET A 0 1 . 40.804 3.234 -17.226 1.00 44.66 1 A 1 ATOM 3 C C . MET A 0 1 . 39.540 3.897 -17.764 1.00 44.66 1 A 1 ATOM 4 C CB . MET A 0 1 . 40.539 2.047 -16.280 1.00 44.66 1 A 1 ATOM 5 O O . MET A 0 1 . 38.662 4.220 -16.981 1.00 44.66 1 A 1 ATOM 6 C CG . MET A 0 1 . 40.077 0.765 -16.973 1.00 44.66 1 A 1 ATOM 7 S SD . MET A 0 1 . 39.890 -0.621 -15.817 1.00 44.66 1 A 1 ATOM 8 C CE . MET A 0 1 . 41.584 -1.264 -15.696 1.00 44.66 1 A 1 ATOM 9 N N . LYS A 0 2 . 39.528 4.280 -19.048 1.00 34.78 2 A 1 ATOM 10 C CA . LYS A 0 2 . 38.385 4.943 -19.696 1.00 34.78 2 A 1 ATOM 11 C C . LYS A 0 2 . 37.493 3.850 -20.281 1.00 34.78 2 A 1 ATOM 12 C CB . LYS A 0 2 . 38.866 5.906 -20.809 1.00 34.78 2 A 1 ATOM 13 O O . LYS A 0 2 . 37.877 3.248 -21.278 1.00 34.78 2 A 1 ATOM 14 C CG . LYS A 0 2 . 39.240 7.312 -20.309 1.00 34.78 2 A 1 ATOM 15 C CD . LYS A 0 2 . 39.837 8.169 -21.441 1.00 34.78 2 A 1 ATOM 16 C CE . LYS A 0 2 . 40.025 9.626 -20.987 1.00 34.78 2 A 1 ATOM 17 N NZ . LYS A 0 2 . 40.782 10.436 -21.978 1.00 34.78 2 A 1 ATOM 18 N N . CYS A 0 3 . 36.348 3.580 -19.664 1.00 50.61 3 A 1 ATOM 19 C CA . CYS A 0 3 . 35.319 2.759 -20.293 1.00 50.61 3 A 1 ATOM 20 C C . CYS A 0 3 . 34.498 3.682 -21.193 1.00 50.61 3 A 1 ATOM 21 C CB . CYS A 0 3 . 34.496 2.024 -19.230 1.00 50.61 3 A 1 ATOM 22 O O . CYS A 0 3 . 33.733 4.513 -20.711 1.00 50.61 3 A 1 ATOM 23 S SG . CYS A 0 3 . 35.574 0.831 -18.381 1.00 50.61 3 A 1 ATOM 24 N N . LEU A 0 4 . 34.755 3.602 -22.498 1.00 44.60 4 A 1 ATOM 25 C CA . LEU A 0 4 . 33.976 4.283 -23.523 1.00 44.60 4 A 1 ATOM 26 C C . LEU A 0 4 . 32.592 3.630 -23.571 1.00 44.60 4 A 1 ATOM 27 C CB . LEU A 0 4 . 34.708 4.173 -24.877 1.00 44.60 4 A 1 ATOM 28 O O . LEU A 0 4 . 32.434 2.544 -24.123 1.00 44.60 4 A 1 ATOM 29 C CG . LEU A 0 4 . 36.009 4.992 -24.971 1.00 44.60 4 A 1 ATOM 30 C CD1 . LEU A 0 4 . 36.822 4.556 -26.190 1.00 44.60 4 A 1 ATOM 31 C CD2 . LEU A 0 4 . 35.727 6.491 -25.096 1.00 44.60 4 A 1 ATOM 32 N N . SER A 0 5 . 31.602 4.294 -22.980 1.00 43.59 5 A 1 ATOM 33 C CA . SER A 0 5 . 30.194 4.025 -23.250 1.00 43.59 5 A 1 ATOM 34 C C . SER A 0 5 . 29.888 4.521 -24.659 1.00 43.59 5 A 1 ATOM 35 C CB . SER A 0 5 . 29.294 4.725 -22.226 1.00 43.59 5 A 1 ATOM 36 O O . SER A 0 5 . 29.709 5.715 -24.885 1.00 43.59 5 A 1 ATOM 37 O OG . SER A 0 5 . 29.556 4.224 -20.930 1.00 43.59 5 A 1 ATOM 38 N N . SER A 0 6 . 29.892 3.618 -25.632 1.00 42.54 6 A 1 ATOM 39 C CA . SER A 0 6 . 29.365 3.895 -26.962 1.00 42.54 6 A 1 ATOM 40 C C . SER A 0 6 . 28.817 2.615 -27.570 1.00 42.54 6 A 1 ATOM 41 C CB . SER A 0 6 . 30.438 4.489 -27.878 1.00 42.54 6 A 1 ATOM 42 O O . SER A 0 6 . 29.523 1.612 -27.639 1.00 42.54 6 A 1 ATOM 43 O OG . SER A 0 6 . 29.838 4.965 -29.068 1.00 42.54 6 A 1 ATOM 44 N N . GLY A 0 7 . 27.572 2.691 -28.036 1.00 35.67 7 A 1 ATOM 45 C CA . GLY A 0 7 . 27.066 1.785 -29.060 1.00 35.67 7 A 1 ATOM 46 C C . GLY A 0 7 . 25.918 0.882 -28.630 1.00 35.67 7 A 1 ATOM 47 O O . GLY A 0 7 . 26.133 -0.289 -28.359 1.00 35.67 7 A 1 ATOM 48 N N . GLY A 0 8 . 24.705 1.437 -28.669 1.00 32.48 8 A 1 ATOM 49 C CA . GLY A 0 8 . 23.681 0.979 -29.613 1.00 32.48 8 A 1 ATOM 50 C C . GLY A 0 8 . 23.010 -0.373 -29.363 1.00 32.48 8 A 1 ATOM 51 O O . GLY A 0 8 . 23.591 -1.428 -29.587 1.00 32.48 8 A 1 ATOM 52 N N . GLY A 0 9 . 21.713 -0.323 -29.066 1.00 34.19 9 A 1 ATOM 53 C CA . GLY A 0 9 . 20.813 -1.466 -29.183 1.00 34.19 9 A 1 ATOM 54 C C . GLY A 0 9 . 19.391 -1.044 -28.855 1.00 34.19 9 A 1 ATOM 55 O O . GLY A 0 9 . 19.022 -1.016 -27.690 1.00 34.19 9 A 1 ATOM 56 N N . GLY A 0 10 . 18.639 -0.651 -29.885 1.00 32.35 10 A 1 ATOM 57 C CA . GLY A 0 10 . 17.280 -0.134 -29.782 1.00 32.35 10 A 1 ATOM 58 C C . GLY A 0 10 . 16.325 -1.094 -29.079 1.00 32.35 10 A 1 ATOM 59 O O . GLY A 0 10 . 16.006 -2.164 -29.587 1.00 32.35 10 A 1 ATOM 60 N N . GLY A 0 11 . 15.839 -0.660 -27.928 1.00 40.07 11 A 1 ATOM 61 C CA . GLY A 0 11 . 14.456 -0.847 -27.542 1.00 40.07 11 A 1 ATOM 62 C C . GLY A 0 11 . 13.918 0.557 -27.352 1.00 40.07 11 A 1 ATOM 63 O O . GLY A 0 11 . 14.527 1.343 -26.628 1.00 40.07 11 A 1 ATOM 64 N N . GLU A 0 12 . 12.843 0.891 -28.049 1.00 44.61 12 A 1 ATOM 65 C CA . GLU A 0 12 . 12.028 2.066 -27.765 1.00 44.61 12 A 1 ATOM 66 C C . GLU A 0 12 . 11.437 1.847 -26.365 1.00 44.61 12 A 1 ATOM 67 C CB . GLU A 0 12 . 10.958 2.207 -28.866 1.00 44.61 12 A 1 ATOM 68 O O . GLU A 0 12 . 10.320 1.371 -26.197 1.00 44.61 12 A 1 ATOM 69 C CG . GLU A 0 12 . 11.580 2.443 -30.259 1.00 44.61 12 A 1 ATOM 70 C CD . GLU A 0 12 . 10.587 2.284 -31.424 1.00 44.61 12 A 1 ATOM 71 O OE1 . GLU A 0 12 . 10.839 2.917 -32.476 1.00 44.61 12 A 1 ATOM 72 O OE2 . GLU A 0 12 . 9.653 1.460 -31.308 1.00 44.61 12 A 1 ATOM 73 N N . CYS A 0 13 . 12.254 2.073 -25.334 1.00 47.03 13 A 1 ATOM 74 C CA . CYS A 0 13 . 11.751 2.372 -24.012 1.00 47.03 13 A 1 ATOM 75 C C . CYS A 0 13 . 11.002 3.677 -24.234 1.00 47.03 13 A 1 ATOM 76 C CB . CYS A 0 13 . 12.919 2.528 -23.016 1.00 47.03 13 A 1 ATOM 77 O O . CYS A 0 13 . 11.650 4.704 -24.438 1.00 47.03 13 A 1 ATOM 78 S SG . CYS A 0 13 . 12.728 1.398 -21.607 1.00 47.03 13 A 1 ATOM 79 N N . GLU A 0 14 . 9.669 3.616 -24.302 1.00 45.09 14 A 1 ATOM 80 C CA . GLU A 0 14 . 8.856 4.811 -24.125 1.00 45.09 14 A 1 ATOM 81 C C . GLU A 0 14 . 9.452 5.535 -22.921 1.00 45.09 14 A 1 ATOM 82 C CB . GLU A 0 14 . 7.376 4.466 -23.883 1.00 45.09 14 A 1 ATOM 83 O O . GLU A 0 14 . 9.559 4.951 -21.838 1.00 45.09 14 A 1 ATOM 84 C CG . GLU A 0 14 . 6.660 3.998 -25.160 1.00 45.09 14 A 1 ATOM 85 C CD . GLU A 0 14 . 5.130 3.941 -24.988 1.00 45.09 14 A 1 ATOM 86 O OE1 . GLU A 0 14 . 4.420 4.385 -25.921 1.00 45.09 14 A 1 ATOM 87 O OE2 . GLU A 0 14 . 4.668 3.419 -23.946 1.00 45.09 14 A 1 ATOM 88 N N . GLU A 0 15 . 9.974 6.740 -23.164 1.00 48.66 15 A 1 ATOM 89 C CA . GLU A 0 15 . 10.422 7.636 -22.114 1.00 48.66 15 A 1 ATOM 90 C C . GLU A 0 15 . 9.261 7.704 -21.135 1.00 48.66 15 A 1 ATOM 91 C CB . GLU A 0 15 . 10.767 9.025 -22.688 1.00 48.66 15 A 1 ATOM 92 O O . GLU A 0 15 . 8.200 8.249 -21.442 1.00 48.66 15 A 1 ATOM 93 C CG . GLU A 0 15 . 12.151 9.056 -23.359 1.00 48.66 15 A 1 ATOM 94 C CD . GLU A 0 15 . 12.488 10.403 -24.030 1.00 48.66 15 A 1 ATOM 95 O OE1 . GLU A 0 15 . 13.696 10.737 -24.086 1.00 48.66 15 A 1 ATOM 96 O OE2 . GLU A 0 15 . 11.562 11.062 -24.557 1.00 48.66 15 A 1 ATOM 97 N N . HIS A 0 16 . 9.419 7.034 -19.992 1.00 54.01 16 A 1 ATOM 98 C CA . HIS A 0 16 . 8.497 7.201 -18.893 1.00 54.01 16 A 1 ATOM 99 C C . HIS A 0 16 . 8.393 8.701 -18.687 1.00 54.01 16 A 1 ATOM 100 C CB . HIS A 0 16 . 9.038 6.503 -17.636 1.00 54.01 16 A 1 ATOM 101 O O . HIS A 0 16 . 9.435 9.343 -18.562 1.00 54.01 16 A 1 ATOM 102 C CG . HIS A 0 16 . 8.831 5.011 -17.646 1.00 54.01 16 A 1 ATOM 103 C CD2 . HIS A 0 16 . 9.782 4.036 -17.787 1.00 54.01 16 A 1 ATOM 104 N ND1 . HIS A 0 16 . 7.619 4.379 -17.510 1.00 54.01 16 A 1 ATOM 105 C CE1 . HIS A 0 16 . 7.833 3.055 -17.570 1.00 54.01 16 A 1 ATOM 106 N NE2 . HIS A 0 16 . 9.141 2.791 -17.708 1.00 54.01 16 A 1 ATOM 107 N N . ASP A 0 17 . 7.166 9.233 -18.694 1.00 53.75 17 A 1 ATOM 108 C CA . ASP A 0 17 . 6.881 10.576 -18.206 1.00 53.75 17 A 1 ATOM 109 C C . ASP A 0 17 . 7.683 10.730 -16.909 1.00 53.75 17 A 1 ATOM 110 C CB . ASP A 0 17 . 5.365 10.741 -17.930 1.00 53.75 17 A 1 ATOM 111 O O . ASP A 0 17 . 7.314 10.173 -15.868 1.00 53.75 17 A 1 ATOM 112 C CG . ASP A 0 17 . 4.573 11.524 -18.985 1.00 53.75 17 A 1 ATOM 113 O OD1 . ASP A 0 17 . 5.133 12.485 -19.555 1.00 53.75 17 A 1 ATOM 114 O OD2 . ASP A 0 17 . 3.364 11.224 -19.126 1.00 53.75 17 A 1 ATOM 115 N N . GLU A 0 18 . 8.821 11.428 -16.975 1.00 60.84 18 A 1 ATOM 116 C CA . GLU A 0 18 . 9.586 11.870 -15.817 1.00 60.84 18 A 1 ATOM 117 C C . GLU A 0 18 . 8.757 12.984 -15.182 1.00 60.84 18 A 1 ATOM 118 C CB . GLU A 0 18 . 11.010 12.338 -16.181 1.00 60.84 18 A 1 ATOM 119 O O . GLU A 0 18 . 9.140 14.151 -15.134 1.00 60.84 18 A 1 ATOM 120 C CG . GLU A 0 18 . 11.993 11.213 -16.545 1.00 60.84 18 A 1 ATOM 121 C CD . GLU A 0 18 . 13.449 11.711 -16.678 1.00 60.84 18 A 1 ATOM 122 O OE1 . GLU A 0 18 . 14.360 10.848 -16.661 1.00 60.84 18 A 1 ATOM 123 O OE2 . GLU A 0 18 . 13.672 12.943 -16.741 1.00 60.84 18 A 1 ATOM 124 N N . GLN A 0 19 . 7.540 12.644 -14.763 1.00 66.57 19 A 1 ATOM 125 C CA . GLN A 0 19 . 6.689 13.541 -14.033 1.00 66.57 19 A 1 ATOM 126 C C . GLN A 0 19 . 7.384 13.737 -12.695 1.00 66.57 19 A 1 ATOM 127 C CB . GLN A 0 19 . 5.261 12.988 -13.958 1.00 66.57 19 A 1 ATOM 128 O O . GLN A 0 19 . 7.362 12.869 -11.820 1.00 66.57 19 A 1 ATOM 129 C CG . GLN A 0 19 . 4.309 14.042 -13.380 1.00 66.57 19 A 1 ATOM 130 C CD . GLN A 0 19 . 2.852 13.714 -13.680 1.00 66.57 19 A 1 ATOM 131 N NE2 . GLN A 0 19 . 2.177 14.512 -14.478 1.00 66.57 19 A 1 ATOM 132 O OE1 . GLN A 0 19 . 2.278 12.749 -13.205 1.00 66.57 19 A 1 ATOM 133 N N . GLU A 0 20 . 8.077 14.867 -12.590 1.00 76.49 20 A 1 ATOM 134 C CA . GLU A 0 20 . 8.760 15.286 -11.382 1.00 76.49 20 A 1 ATOM 135 C C . GLU A 0 20 . 7.794 15.140 -10.203 1.00 76.49 20 A 1 ATOM 136 C CB . GLU A 0 20 . 9.256 16.729 -11.556 1.00 76.49 20 A 1 ATOM 137 O O . GLU A 0 20 . 6.671 15.660 -10.219 1.00 76.49 20 A 1 ATOM 138 C CG . GLU A 0 20 . 10.126 17.190 -10.377 1.00 76.49 20 A 1 ATOM 139 C CD . GLU A 0 20 . 10.642 18.634 -10.521 1.00 76.49 20 A 1 ATOM 140 O OE1 . GLU A 0 20 . 11.396 19.056 -9.613 1.00 76.49 20 A 1 ATOM 141 O OE2 . GLU A 0 20 . 10.257 19.327 -11.489 1.00 76.49 20 A 1 ATOM 142 N N . ILE A 0 21 . 8.215 14.389 -9.182 1.00 80.74 21 A 1 ATOM 143 C CA . ILE A 0 21 . 7.422 14.214 -7.969 1.00 80.74 21 A 1 ATOM 144 C C . ILE A 0 21 . 7.342 15.573 -7.277 1.00 80.74 21 A 1 ATOM 145 C CB . ILE A 0 21 . 8.003 13.118 -7.048 1.00 80.74 21 A 1 ATOM 146 O O . ILE A 0 21 . 8.257 15.986 -6.566 1.00 80.74 21 A 1 ATOM 147 C CG1 . ILE A 0 21 . 8.007 11.749 -7.766 1.00 80.74 21 A 1 ATOM 148 C CG2 . ILE A 0 21 . 7.180 13.040 -5.746 1.00 80.74 21 A 1 ATOM 149 C CD1 . ILE A 0 21 . 8.641 10.616 -6.948 1.00 80.74 21 A 1 ATOM 150 N N . ASN A 0 22 . 6.231 16.271 -7.482 1.00 88.77 22 A 1 ATOM 151 C CA . ASN A 0 22 . 5.989 17.568 -6.872 1.00 88.77 22 A 1 ATOM 152 C C . ASN A 0 22 . 5.321 17.436 -5.488 1.00 88.77 22 A 1 ATOM 153 C CB . ASN A 0 22 . 5.262 18.469 -7.888 1.00 88.77 22 A 1 ATOM 154 O O . ASN A 0 22 . 4.835 16.374 -5.080 1.00 88.77 22 A 1 ATOM 155 C CG . ASN A 0 22 . 3.825 18.076 -8.175 1.00 88.77 22 A 1 ATOM 156 N ND2 . ASN A 0 22 . 3.322 18.408 -9.338 1.00 88.77 22 A 1 ATOM 157 O OD1 . ASN A 0 22 . 3.122 17.521 -7.348 1.00 88.77 22 A 1 ATOM 158 N N . ALA A 0 23 . 5.285 18.546 -4.747 1.00 92.11 23 A 1 ATOM 159 C CA . ALA A 0 23 . 4.702 18.588 -3.406 1.00 92.11 23 A 1 ATOM 160 C C . ALA A 0 23 . 3.202 18.227 -3.387 1.00 92.11 23 A 1 ATOM 161 C CB . ALA A 0 23 . 4.946 19.985 -2.824 1.00 92.11 23 A 1 ATOM 162 O O . ALA A 0 23 . 2.739 17.579 -2.448 1.00 92.11 23 A 1 ATOM 163 N N . GLU A 0 24 . 2.453 18.590 -4.433 1.00 93.70 24 A 1 ATOM 164 C CA . GLU A 0 24 . 1.021 18.287 -4.552 1.00 93.70 24 A 1 ATOM 165 C C . GLU A 0 24 . 0.770 16.774 -4.660 1.00 93.70 24 A 1 ATOM 166 C CB . GLU A 0 24 . 0.463 19.019 -5.784 1.00 93.70 24 A 1 ATOM 167 O O . GLU A 0 24 . -0.139 16.233 -4.022 1.00 93.70 24 A 1 ATOM 168 C CG . GLU A 0 24 . -1.070 18.962 -5.843 1.00 93.70 24 A 1 ATOM 169 C CD . GLU A 0 24 . -1.642 19.395 -7.198 1.00 93.70 24 A 1 ATOM 170 O OE1 . GLU A 0 24 . -2.769 18.922 -7.491 1.00 93.70 24 A 1 ATOM 171 O OE2 . GLU A 0 24 . -0.958 20.103 -7.962 1.00 93.70 24 A 1 ATOM 172 N N . TYR A 0 25 . 1.601 16.061 -5.424 1.00 93.04 25 A 1 ATOM 173 C CA . TYR A 0 25 . 1.549 14.606 -5.524 1.00 93.04 25 A 1 ATOM 174 C C . TYR A 0 25 . 1.822 13.948 -4.167 1.00 93.04 25 A 1 ATOM 175 C CB . TYR A 0 25 . 2.547 14.123 -6.582 1.00 93.04 25 A 1 ATOM 176 O O . TYR A 0 25 . 1.076 13.060 -3.747 1.00 93.04 25 A 1 ATOM 177 C CG . TYR A 0 25 . 2.507 12.619 -6.766 1.00 93.04 25 A 1 ATOM 178 C CD1 . TYR A 0 25 . 3.354 11.791 -6.003 1.00 93.04 25 A 1 ATOM 179 C CD2 . TYR A 0 25 . 1.594 12.049 -7.672 1.00 93.04 25 A 1 ATOM 180 C CE1 . TYR A 0 25 . 3.300 10.393 -6.154 1.00 93.04 25 A 1 ATOM 181 C CE2 . TYR A 0 25 . 1.525 10.650 -7.815 1.00 93.04 25 A 1 ATOM 182 O OH . TYR A 0 25 . 2.319 8.473 -7.208 1.00 93.04 25 A 1 ATOM 183 C CZ . TYR A 0 25 . 2.382 9.822 -7.062 1.00 93.04 25 A 1 ATOM 184 N N . LEU A 0 26 . 2.843 14.417 -3.441 1.00 93.57 26 A 1 ATOM 185 C CA . LEU A 0 26 . 3.170 13.908 -2.105 1.00 93.57 26 A 1 ATOM 186 C C . LEU A 0 26 . 2.044 14.156 -1.093 1.00 93.57 26 A 1 ATOM 187 C CB . LEU A 0 26 . 4.482 14.539 -1.612 1.00 93.57 26 A 1 ATOM 188 O O . LEU A 0 26 . 1.759 13.284 -0.266 1.00 93.57 26 A 1 ATOM 189 C CG . LEU A 0 26 . 5.738 14.080 -2.372 1.00 93.57 26 A 1 ATOM 190 C CD1 . LEU A 0 26 . 6.950 14.848 -1.844 1.00 93.57 26 A 1 ATOM 191 C CD2 . LEU A 0 26 . 6.005 12.582 -2.189 1.00 93.57 26 A 1 ATOM 192 N N . GLU A 0 27 . 1.365 15.302 -1.167 1.00 95.54 27 A 1 ATOM 193 C CA . GLU A 0 27 . 0.202 15.595 -0.326 1.00 95.54 27 A 1 ATOM 194 C C . GLU A 0 27 . -0.959 14.634 -0.626 1.00 95.54 27 A 1 ATOM 195 C CB . GLU A 0 27 . -0.220 17.061 -0.506 1.00 95.54 27 A 1 ATOM 196 O O . GLU A 0 27 . -1.521 14.022 0.293 1.00 95.54 27 A 1 ATOM 197 C CG . GLU A 0 27 . -1.322 17.423 0.502 1.00 95.54 27 A 1 ATOM 198 C CD . GLU A 0 27 . -1.822 18.869 0.405 1.00 95.54 27 A 1 ATOM 199 O OE1 . GLU A 0 27 . -2.713 19.189 1.227 1.00 95.54 27 A 1 ATOM 200 O OE2 . GLU A 0 27 . -1.356 19.615 -0.481 1.00 95.54 27 A 1 ATOM 201 N N . LYS A 0 28 . -1.277 14.428 -1.910 1.00 95.69 28 A 1 ATOM 202 C CA . LYS A 0 28 . -2.305 13.475 -2.360 1.00 95.69 28 A 1 ATOM 203 C C . LYS A 0 28 . -1.986 12.050 -1.911 1.00 95.69 28 A 1 ATOM 204 C CB . LYS A 0 28 . -2.439 13.546 -3.890 1.00 95.69 28 A 1 ATOM 205 O O . LYS A 0 28 . -2.854 11.380 -1.344 1.00 95.69 28 A 1 ATOM 206 C CG . LYS A 0 28 . -3.208 14.793 -4.350 1.00 95.69 28 A 1 ATOM 207 C CD . LYS A 0 28 . -3.107 14.970 -5.872 1.00 95.69 28 A 1 ATOM 208 C CE . LYS A 0 28 . -4.034 16.100 -6.338 1.00 95.69 28 A 1 ATOM 209 N NZ . LYS A 0 28 . -3.780 16.504 -7.742 1.00 95.69 28 A 1 ATOM 210 N N . PHE A 0 29 . -0.745 11.607 -2.097 1.00 93.67 29 A 1 ATOM 211 C CA . PHE A 0 29 . -0.277 10.298 -1.649 1.00 93.67 29 A 1 ATOM 212 C C . PHE A 0 29 . -0.406 10.150 -0.128 1.00 93.67 29 A 1 ATOM 213 C CB . PHE A 0 29 . 1.171 10.098 -2.110 1.00 93.67 29 A 1 ATOM 214 O O . PHE A 0 29 . -1.004 9.194 0.361 1.00 93.67 29 A 1 ATOM 215 C CG . PHE A 0 29 . 1.738 8.762 -1.681 1.00 93.67 29 A 1 ATOM 216 C CD1 . PHE A 0 29 . 2.622 8.681 -0.589 1.00 93.67 29 A 1 ATOM 217 C CD2 . PHE A 0 29 . 1.348 7.590 -2.356 1.00 93.67 29 A 1 ATOM 218 C CE1 . PHE A 0 29 . 3.122 7.433 -0.180 1.00 93.67 29 A 1 ATOM 219 C CE2 . PHE A 0 29 . 1.846 6.342 -1.944 1.00 93.67 29 A 1 ATOM 220 C CZ . PHE A 0 29 . 2.735 6.264 -0.858 1.00 93.67 29 A 1 ATOM 221 N N . THR A 0 30 . 0.046 11.142 0.639 1.00 95.81 30 A 1 ATOM 222 C CA . THR A 0 30 . -0.061 11.134 2.106 1.00 95.81 30 A 1 ATOM 223 C C . THR A 0 30 . -1.515 11.027 2.570 1.00 95.81 30 A 1 ATOM 224 C CB . THR A 0 30 . 0.580 12.397 2.694 1.00 95.81 30 A 1 ATOM 225 O O . THR A 0 30 . -1.827 10.262 3.487 1.00 95.81 30 A 1 ATOM 226 C CG2 . THR A 0 30 . 0.509 12.433 4.223 1.00 95.81 30 A 1 ATOM 227 O OG1 . THR A 0 30 . 1.942 12.433 2.360 1.00 95.81 30 A 1 ATOM 228 N N . LYS A 0 31 . -2.435 11.761 1.931 1.00 96.75 31 A 1 ATOM 229 C CA . LYS A 0 31 . -3.872 11.686 2.228 1.00 96.75 31 A 1 ATOM 230 C C . LYS A 0 31 . -4.443 10.301 1.916 1.00 96.75 31 A 1 ATOM 231 C CB . LYS A 0 31 . -4.590 12.798 1.452 1.00 96.75 31 A 1 ATOM 232 O O . LYS A 0 31 . -5.219 9.774 2.711 1.00 96.75 31 A 1 ATOM 233 C CG . LYS A 0 31 . -6.063 12.945 1.866 1.00 96.75 31 A 1 ATOM 234 C CD . LYS A 0 31 . -6.692 14.132 1.127 1.00 96.75 31 A 1 ATOM 235 C CE . LYS A 0 31 . -8.143 14.356 1.567 1.00 96.75 31 A 1 ATOM 236 N NZ . LYS A 0 31 . -8.729 15.538 0.883 1.00 96.75 31 A 1 ATOM 237 N N . MET A 0 32 . -4.025 9.693 0.807 1.00 96.10 32 A 1 ATOM 238 C CA . MET A 0 32 . -4.404 8.328 0.438 1.00 96.10 32 A 1 ATOM 239 C C . MET A 0 32 . -3.969 7.314 1.504 1.00 96.10 32 A 1 ATOM 240 C CB . MET A 0 32 . -3.794 7.999 -0.930 1.00 96.10 32 A 1 ATOM 241 O O . MET A 0 32 . -4.794 6.524 1.961 1.00 96.10 32 A 1 ATOM 242 C CG . MET A 0 32 . -4.343 6.703 -1.527 1.00 96.10 32 A 1 ATOM 243 S SD . MET A 0 32 . -3.406 6.108 -2.960 1.00 96.10 32 A 1 ATOM 244 C CE . MET A 0 32 . -3.331 7.593 -4.003 1.00 96.10 32 A 1 ATOM 245 N N . ILE A 0 33 . -2.720 7.392 1.974 1.00 94.06 33 A 1 ATOM 246 C CA . ILE A 0 33 . -2.191 6.507 3.023 1.00 94.06 33 A 1 ATOM 247 C C . ILE A 0 33 . -2.948 6.684 4.345 1.00 94.06 33 A 1 ATOM 248 C CB . ILE A 0 33 . -0.671 6.731 3.196 1.00 94.06 33 A 1 ATOM 249 O O . ILE A 0 33 . -3.329 5.699 4.978 1.00 94.06 33 A 1 ATOM 250 C CG1 . ILE A 0 33 . 0.135 6.370 1.925 1.00 94.06 33 A 1 ATOM 251 C CG2 . ILE A 0 33 . -0.118 5.948 4.401 1.00 94.06 33 A 1 ATOM 252 C CD1 . ILE A 0 33 . 0.004 4.920 1.440 1.00 94.06 33 A 1 ATOM 253 N N . LYS A 0 34 . -3.240 7.927 4.750 1.00 95.64 34 A 1 ATOM 254 C CA . LYS A 0 34 . -4.045 8.197 5.955 1.00 95.64 34 A 1 ATOM 255 C C . LYS A 0 34 . -5.448 7.599 5.851 1.00 95.64 34 A 1 ATOM 256 C CB . LYS A 0 34 . -4.125 9.706 6.214 1.00 95.64 34 A 1 ATOM 257 O O . LYS A 0 34 . -5.919 6.978 6.802 1.00 95.64 34 A 1 ATOM 258 C CG . LYS A 0 34 . -2.811 10.259 6.781 1.00 95.64 34 A 1 ATOM 259 C CD . LYS A 0 34 . -2.925 11.771 7.014 1.00 95.64 34 A 1 ATOM 260 C CE . LYS A 0 34 . -1.625 12.302 7.629 1.00 95.64 34 A 1 ATOM 261 N NZ . LYS A 0 34 . -1.669 13.774 7.830 1.00 95.64 34 A 1 ATOM 262 N N . ASN A 0 35 . -6.101 7.741 4.699 1.00 94.93 35 A 1 ATOM 263 C CA . ASN A 0 35 . -7.418 7.151 4.462 1.00 94.93 35 A 1 ATOM 264 C C . ASN A 0 35 . -7.373 5.621 4.527 1.00 94.93 35 A 1 ATOM 265 C CB . ASN A 0 35 . -7.960 7.641 3.111 1.00 94.93 35 A 1 ATOM 266 O O . ASN A 0 35 . -8.206 5.019 5.202 1.00 94.93 35 A 1 ATOM 267 C CG . ASN A 0 35 . -8.390 9.095 3.125 1.00 94.93 35 A 1 ATOM 268 N ND2 . ASN A 0 35 . -8.589 9.673 1.964 1.00 94.93 35 A 1 ATOM 269 O OD1 . ASN A 0 35 . -8.600 9.720 4.151 1.00 94.93 35 A 1 ATOM 270 N N . ALA A 0 36 . -6.378 4.995 3.896 1.00 92.99 36 A 1 ATOM 271 C CA . ALA A 0 36 . -6.182 3.550 3.963 1.00 92.99 36 A 1 ATOM 272 C C . ALA A 0 36 . -5.955 3.070 5.406 1.00 92.99 36 A 1 ATOM 273 C CB . ALA A 0 36 . -5.012 3.174 3.048 1.00 92.99 36 A 1 ATOM 274 O O . ALA A 0 36 . -6.559 2.086 5.825 1.00 92.99 36 A 1 ATOM 275 N N . SER A 0 37 . -5.166 3.803 6.199 1.00 92.96 37 A 1 ATOM 276 C CA . SER A 0 37 . -4.952 3.505 7.620 1.00 92.96 37 A 1 ATOM 277 C C . SER A 0 37 . -6.250 3.570 8.433 1.00 92.96 37 A 1 ATOM 278 C CB . SER A 0 37 . -3.913 4.471 8.194 1.00 92.96 37 A 1 ATOM 279 O O . SER A 0 37 . -6.551 2.654 9.198 1.00 92.96 37 A 1 ATOM 280 O OG . SER A 0 37 . -3.676 4.190 9.558 1.00 92.96 37 A 1 ATOM 281 N N . MET A 0 38 . -7.071 4.606 8.228 1.00 93.29 38 A 1 ATOM 282 C CA . MET A 0 38 . -8.375 4.713 8.893 1.00 93.29 38 A 1 ATOM 283 C C . MET A 0 38 . -9.325 3.575 8.507 1.00 93.29 38 A 1 ATOM 284 C CB . MET A 0 38 . -9.043 6.050 8.557 1.00 93.29 38 A 1 ATOM 285 O O . MET A 0 38 . -10.069 3.092 9.359 1.00 93.29 38 A 1 ATOM 286 C CG . MET A 0 38 . -8.360 7.240 9.233 1.00 93.29 38 A 1 ATOM 287 S SD . MET A 0 38 . -9.282 8.795 9.075 1.00 93.29 38 A 1 ATOM 288 C CE . MET A 0 38 . -9.176 9.074 7.286 1.00 93.29 38 A 1 ATOM 289 N N . LEU A 0 39 . -9.306 3.143 7.243 1.00 92.40 39 A 1 ATOM 290 C CA . LEU A 0 39 . -10.098 2.003 6.781 1.00 92.40 39 A 1 ATOM 291 C C . LEU A 0 39 . -9.599 0.689 7.387 1.00 92.40 39 A 1 ATOM 292 C CB . LEU A 0 39 . -10.084 1.945 5.245 1.00 92.40 39 A 1 ATOM 293 O O . LEU A 0 39 . -10.418 -0.109 7.833 1.00 92.40 39 A 1 ATOM 294 C CG . LEU A 0 39 . -10.876 3.072 4.558 1.00 92.40 39 A 1 ATOM 295 C CD1 . LEU A 0 39 . -10.644 3.006 3.050 1.00 92.40 39 A 1 ATOM 296 C CD2 . LEU A 0 39 . -12.381 2.969 4.825 1.00 92.40 39 A 1 ATOM 297 N N . ALA A 0 40 . -8.282 0.492 7.474 1.00 91.47 40 A 1 ATOM 298 C CA . ALA A 0 40 . -7.682 -0.696 8.075 1.00 91.47 40 A 1 ATOM 299 C C . ALA A 0 40 . -8.102 -0.880 9.543 1.00 91.47 40 A 1 ATOM 300 C CB . ALA A 0 40 . -6.160 -0.613 7.924 1.00 91.47 40 A 1 ATOM 301 O O . ALA A 0 40 . -8.410 -1.995 9.953 1.00 91.47 40 A 1 ATOM 302 N N . ASN A 0 41 . -8.227 0.212 10.305 1.00 90.40 41 A 1 ATOM 303 C CA . ASN A 0 41 . -8.708 0.178 11.693 1.00 90.40 41 A 1 ATOM 304 C C . ASN A 0 41 . -10.176 -0.266 11.839 1.00 90.40 41 A 1 ATOM 305 C CB . ASN A 0 41 . -8.514 1.571 12.317 1.00 90.40 41 A 1 ATOM 306 O O . ASN A 0 41 . -10.610 -0.579 12.944 1.00 90.40 41 A 1 ATOM 307 C CG . ASN A 0 41 . -7.058 1.928 12.540 1.00 90.40 41 A 1 ATOM 308 N ND2 . ASN A 0 41 . -6.737 3.200 12.563 1.00 90.40 41 A 1 ATOM 309 O OD1 . ASN A 0 41 . -6.193 1.091 12.716 1.00 90.40 41 A 1 ATOM 310 N N . ARG A 0 42 . -10.958 -0.268 10.752 1.00 93.37 42 A 1 ATOM 311 C CA . ARG A 0 42 . -12.360 -0.723 10.736 1.00 93.37 42 A 1 ATOM 312 C C . ARG A 0 42 . -12.510 -2.169 10.269 1.00 93.37 42 A 1 ATOM 313 C CB . ARG A 0 42 . -13.201 0.207 9.853 1.00 93.37 42 A 1 ATOM 314 O O . ARG A 0 42 . -13.620 -2.696 10.290 1.00 93.37 42 A 1 ATOM 315 C CG . ARG A 0 42 . -13.224 1.651 10.363 1.00 93.37 42 A 1 ATOM 316 C CD . ARG A 0 42 . -14.057 2.505 9.407 1.00 93.37 42 A 1 ATOM 317 N NE . ARG A 0 42 . -14.119 3.908 9.854 1.00 93.37 42 A 1 ATOM 318 N NH1 . ARG A 0 42 . -15.628 4.643 8.286 1.00 93.37 42 A 1 ATOM 319 N NH2 . ARG A 0 42 . -14.835 6.068 9.808 1.00 93.37 42 A 1 ATOM 320 C CZ . ARG A 0 42 . -14.857 4.862 9.316 1.00 93.37 42 A 1 ATOM 321 N N . LEU A 0 43 . -11.428 -2.794 9.811 1.00 92.42 43 A 1 ATOM 322 C CA . LEU A 0 43 . -11.452 -4.174 9.349 1.00 92.42 43 A 1 ATOM 323 C C . LEU A 0 43 . -11.531 -5.131 10.539 1.00 92.42 43 A 1 ATOM 324 C CB . LEU A 0 43 . -10.221 -4.459 8.470 1.00 92.42 43 A 1 ATOM 325 O O . LEU A 0 43 . -10.877 -4.943 11.563 1.00 92.42 43 A 1 ATOM 326 C CG . LEU A 0 43 . -10.150 -3.645 7.166 1.00 92.42 43 A 1 ATOM 327 C CD1 . LEU A 0 43 . -8.901 -4.049 6.383 1.00 92.42 43 A 1 ATOM 328 C CD2 . LEU A 0 43 . -11.372 -3.839 6.262 1.00 92.42 43 A 1 ATOM 329 N N . SER A 0 44 . -12.294 -6.210 10.375 1.00 95.32 44 A 1 ATOM 330 C CA . SER A 0 44 . -12.200 -7.363 11.276 1.00 95.32 44 A 1 ATOM 331 C C . SER A 0 44 . -10.801 -7.987 11.210 1.00 95.32 44 A 1 ATOM 332 C CB . SER A 0 44 . -13.261 -8.409 10.926 1.00 95.32 44 A 1 ATOM 333 O O . SER A 0 44 . -10.115 -7.874 10.193 1.00 95.32 44 A 1 ATOM 334 O OG . SER A 0 44 . -13.047 -8.914 9.622 1.00 95.32 44 A 1 ATOM 335 N N . SER A 0 45 . -10.385 -8.722 12.244 1.00 93.38 45 A 1 ATOM 336 C CA . SER A 0 45 . -9.064 -9.375 12.278 1.00 93.38 45 A 1 ATOM 337 C C . SER A 0 45 . -8.795 -10.270 11.057 1.00 93.38 45 A 1 ATOM 338 C CB . SER A 0 45 . -8.929 -10.210 13.555 1.00 93.38 45 A 1 ATOM 339 O O . SER A 0 45 . -7.679 -10.287 10.545 1.00 93.38 45 A 1 ATOM 340 O OG . SER A 0 45 . -9.240 -9.421 14.688 1.00 93.38 45 A 1 ATOM 341 N N . ASN A 0 46 . -9.820 -10.954 10.534 1.00 92.87 46 A 1 ATOM 342 C CA . ASN A 0 46 . -9.701 -11.794 9.334 1.00 92.87 46 A 1 ATOM 343 C C . ASN A 0 46 . -9.496 -10.970 8.052 1.00 92.87 46 A 1 ATOM 344 C CB . ASN A 0 46 . -10.963 -12.668 9.216 1.00 92.87 46 A 1 ATOM 345 O O . ASN A 0 46 . -8.694 -11.335 7.190 1.00 92.87 46 A 1 ATOM 346 C CG . ASN A 0 46 . -11.052 -13.729 10.296 1.00 92.87 46 A 1 ATOM 347 N ND2 . ASN A 0 46 . -12.242 -14.157 10.644 1.00 92.87 46 A 1 ATOM 348 O OD1 . ASN A 0 46 . -10.068 -14.183 10.845 1.00 92.87 46 A 1 ATOM 349 N N . GLN A 0 47 . -10.203 -9.845 7.923 1.00 93.74 47 A 1 ATOM 350 C CA . GLN A 0 47 . -10.012 -8.917 6.806 1.00 93.74 47 A 1 ATOM 351 C C . GLN A 0 47 . -8.645 -8.239 6.883 1.00 93.74 47 A 1 ATOM 352 C CB . GLN A 0 47 . -11.101 -7.847 6.833 1.00 93.74 47 A 1 ATOM 353 O O . GLN A 0 47 . -7.984 -8.091 5.860 1.00 93.74 47 A 1 ATOM 354 C CG . GLN A 0 47 . -12.476 -8.354 6.387 1.00 93.74 47 A 1 ATOM 355 C CD . GLN A 0 47 . -13.569 -7.348 6.729 1.00 93.74 47 A 1 ATOM 356 N NE2 . GLN A 0 47 . -14.566 -7.175 5.892 1.00 93.74 47 A 1 ATOM 357 O OE1 . GLN A 0 47 . -13.563 -6.737 7.787 1.00 93.74 47 A 1 ATOM 358 N N . LEU A 0 48 . -8.205 -7.875 8.088 1.00 92.71 48 A 1 ATOM 359 C CA . LEU A 0 48 . -6.896 -7.282 8.321 1.00 92.71 48 A 1 ATOM 360 C C . LEU A 0 48 . -5.775 -8.256 7.935 1.00 92.71 48 A 1 ATOM 361 C CB . LEU A 0 48 . -6.826 -6.835 9.791 1.00 92.71 48 A 1 ATOM 362 O O . LEU A 0 48 . -4.868 -7.878 7.199 1.00 92.71 48 A 1 ATOM 363 C CG . LEU A 0 48 . -5.525 -6.101 10.143 1.00 92.71 48 A 1 ATOM 364 C CD1 . LEU A 0 48 . -5.369 -4.790 9.368 1.00 92.71 48 A 1 ATOM 365 C CD2 . LEU A 0 48 . -5.491 -5.792 11.639 1.00 92.71 48 A 1 ATOM 366 N N . LEU A 0 49 . -5.871 -9.526 8.346 1.00 93.56 49 A 1 ATOM 367 C CA . LEU A 0 49 . -4.935 -10.574 7.931 1.00 93.56 49 A 1 ATOM 368 C C . LEU A 0 49 . -4.895 -10.730 6.404 1.00 93.56 49 A 1 ATOM 369 C CB . LEU A 0 49 . -5.330 -11.894 8.620 1.00 93.56 49 A 1 ATOM 370 O O . LEU A 0 49 . -3.813 -10.764 5.819 1.00 93.56 49 A 1 ATOM 371 C CG . LEU A 0 49 . -4.434 -13.091 8.245 1.00 93.56 49 A 1 ATOM 372 C CD1 . LEU A 0 49 . -2.981 -12.882 8.677 1.00 93.56 49 A 1 ATOM 373 C CD2 . LEU A 0 49 . -4.964 -14.355 8.921 1.00 93.56 49 A 1 ATOM 374 N N . SER A 0 50 . -6.063 -10.764 5.758 1.00 94.00 50 A 1 ATOM 375 C CA . SER A 0 50 . -6.159 -10.859 4.295 1.00 94.00 50 A 1 ATOM 376 C C . SER A 0 50 . -5.517 -9.646 3.608 1.00 94.00 50 A 1 ATOM 377 C CB . SER A 0 50 . -7.623 -10.984 3.855 1.00 94.00 50 A 1 ATOM 378 O O . SER A 0 50 . -4.755 -9.796 2.655 1.00 94.00 50 A 1 ATOM 379 O OG . SER A 0 50 . -8.272 -12.076 4.481 1.00 94.00 50 A 1 ATOM 380 N N . ALA A 0 51 . -5.756 -8.436 4.121 1.00 91.41 51 A 1 ATOM 381 C CA . ALA A 0 51 . -5.150 -7.207 3.613 1.00 91.41 51 A 1 ATOM 382 C C . ALA A 0 51 . -3.619 -7.211 3.762 1.00 91.41 51 A 1 ATOM 383 C CB . ALA A 0 51 . -5.784 -6.013 4.336 1.00 91.41 51 A 1 ATOM 384 O O . ALA A 0 51 . -2.915 -6.808 2.833 1.00 91.41 51 A 1 ATOM 385 N N . PHE A 0 52 . -3.088 -7.714 4.882 1.00 92.51 52 A 1 ATOM 386 C CA . PHE A 0 52 . -1.645 -7.892 5.063 1.00 92.51 52 A 1 ATOM 387 C C . PHE A 0 52 . -1.062 -8.884 4.058 1.00 92.51 52 A 1 ATOM 388 C CB . PHE A 0 52 . -1.321 -8.337 6.497 1.00 92.51 52 A 1 ATOM 389 O O . PHE A 0 52 . -0.050 -8.577 3.435 1.00 92.51 52 A 1 ATOM 390 C CG . PHE A 0 52 . -1.250 -7.203 7.497 1.00 92.51 52 A 1 ATOM 391 C CD1 . PHE A 0 52 . -0.276 -6.198 7.340 1.00 92.51 52 A 1 ATOM 392 C CD2 . PHE A 0 52 . -2.111 -7.169 8.609 1.00 92.51 52 A 1 ATOM 393 C CE1 . PHE A 0 52 . -0.185 -5.149 8.270 1.00 92.51 52 A 1 ATOM 394 C CE2 . PHE A 0 52 . -2.008 -6.126 9.547 1.00 92.51 52 A 1 ATOM 395 C CZ . PHE A 0 52 . -1.055 -5.110 9.371 1.00 92.51 52 A 1 ATOM 396 N N . GLN A 0 53 . -1.704 -10.036 3.847 1.00 94.34 53 A 1 ATOM 397 C CA . GLN A 0 53 . -1.249 -11.029 2.867 1.00 94.34 53 A 1 ATOM 398 C C . GLN A 0 53 . -1.190 -10.446 1.453 1.00 94.34 53 A 1 ATOM 399 C CB . GLN A 0 53 . -2.185 -12.243 2.890 1.00 94.34 53 A 1 ATOM 400 O O . GLN A 0 53 . -0.186 -10.604 0.759 1.00 94.34 53 A 1 ATOM 401 C CG . GLN A 0 53 . -1.982 -13.100 4.146 1.00 94.34 53 A 1 ATOM 402 C CD . GLN A 0 53 . -2.984 -14.245 4.228 1.00 94.34 53 A 1 ATOM 403 N NE2 . GLN A 0 53 . -2.610 -15.361 4.812 1.00 94.34 53 A 1 ATOM 404 O OE1 . GLN A 0 53 . -4.115 -14.173 3.784 1.00 94.34 53 A 1 ATOM 405 N N . ILE A 0 54 . -2.233 -9.715 1.052 1.00 93.01 54 A 1 ATOM 406 C CA . ILE A 0 54 . -2.269 -9.009 -0.234 1.00 93.01 54 A 1 ATOM 407 C C . ILE A 0 54 . -1.145 -7.966 -0.309 1.00 93.01 54 A 1 ATOM 408 C CB . ILE A 0 54 . -3.665 -8.381 -0.451 1.00 93.01 54 A 1 ATOM 409 O O . ILE A 0 54 . -0.458 -7.885 -1.325 1.00 93.01 54 A 1 ATOM 410 C CG1 . ILE A 0 54 . -4.739 -9.484 -0.610 1.00 93.01 54 A 1 ATOM 411 C CG2 . ILE A 0 54 . -3.674 -7.467 -1.691 1.00 93.01 54 A 1 ATOM 412 C CD1 . ILE A 0 54 . -6.175 -8.966 -0.449 1.00 93.01 54 A 1 ATOM 413 N N . SER A 0 55 . -0.915 -7.203 0.763 1.00 93.16 55 A 1 ATOM 414 C CA . SER A 0 55 . 0.128 -6.168 0.804 1.00 93.16 55 A 1 ATOM 415 C C . SER A 0 55 . 1.533 -6.758 0.677 1.00 93.16 55 A 1 ATOM 416 C CB . SER A 0 55 . 0.042 -5.343 2.091 1.00 93.16 55 A 1 ATOM 417 O O . SER A 0 55 . 2.332 -6.259 -0.111 1.00 93.16 55 A 1 ATOM 418 O OG . SER A 0 55 . -1.228 -4.736 2.216 1.00 93.16 55 A 1 ATOM 419 N N . PHE A 0 56 . 1.839 -7.843 1.396 1.00 92.97 56 A 1 ATOM 420 C CA . PHE A 0 56 . 3.120 -8.544 1.265 1.00 92.97 56 A 1 ATOM 421 C C . PHE A 0 56 . 3.313 -9.125 -0.132 1.00 92.97 56 A 1 ATOM 422 C CB . PHE A 0 56 . 3.255 -9.637 2.334 1.00 92.97 56 A 1 ATOM 423 O O . PHE A 0 56 . 4.393 -8.982 -0.700 1.00 92.97 56 A 1 ATOM 424 C CG . PHE A 0 56 . 3.675 -9.109 3.691 1.00 92.97 56 A 1 ATOM 425 C CD1 . PHE A 0 56 . 4.968 -8.579 3.860 1.00 92.97 56 A 1 ATOM 426 C CD2 . PHE A 0 56 . 2.795 -9.156 4.787 1.00 92.97 56 A 1 ATOM 427 C CE1 . PHE A 0 56 . 5.362 -8.054 5.103 1.00 92.97 56 A 1 ATOM 428 C CE2 . PHE A 0 56 . 3.190 -8.637 6.033 1.00 92.97 56 A 1 ATOM 429 C CZ . PHE A 0 56 . 4.470 -8.079 6.189 1.00 92.97 56 A 1 ATOM 430 N N . HIS A 0 57 . 2.263 -9.702 -0.718 1.00 93.01 57 A 1 ATOM 431 C CA . HIS A 0 57 . 2.324 -10.203 -2.086 1.00 93.01 57 A 1 ATOM 432 C C . HIS A 0 57 . 2.592 -9.082 -3.098 1.00 93.01 57 A 1 ATOM 433 C CB . HIS A 0 57 . 1.016 -10.925 -2.409 1.00 93.01 57 A 1 ATOM 434 O O . HIS A 0 57 . 3.413 -9.236 -3.999 1.00 93.01 57 A 1 ATOM 435 C CG . HIS A 0 57 . 1.091 -11.623 -3.736 1.00 93.01 57 A 1 ATOM 436 C CD2 . HIS A 0 57 . 0.353 -11.358 -4.858 1.00 93.01 57 A 1 ATOM 437 N ND1 . HIS A 0 57 . 1.968 -12.633 -4.051 1.00 93.01 57 A 1 ATOM 438 C CE1 . HIS A 0 57 . 1.725 -13.006 -5.314 1.00 93.01 57 A 1 ATOM 439 N NE2 . HIS A 0 57 . 0.758 -12.249 -5.862 1.00 93.01 57 A 1 ATOM 440 N N . LEU A 0 58 . 1.945 -7.926 -2.938 1.00 94.30 58 A 1 ATOM 441 C CA . LEU A 0 58 . 2.199 -6.766 -3.787 1.00 94.30 58 A 1 ATOM 442 C C . LEU A 0 58 . 3.640 -6.260 -3.626 1.00 94.30 58 A 1 ATOM 443 C CB . LEU A 0 58 . 1.159 -5.679 -3.473 1.00 94.30 58 A 1 ATOM 444 O O . LEU A 0 58 . 4.302 -6.001 -4.627 1.00 94.30 58 A 1 ATOM 445 C CG . LEU A 0 58 . 1.292 -4.428 -4.360 1.00 94.30 58 A 1 ATOM 446 C CD1 . LEU A 0 58 . 1.063 -4.739 -5.841 1.00 94.30 58 A 1 ATOM 447 C CD2 . LEU A 0 58 . 0.274 -3.378 -3.921 1.00 94.30 58 A 1 ATOM 448 N N . MET A 0 59 . 4.146 -6.170 -2.391 1.00 94.18 59 A 1 ATOM 449 C CA . MET A 0 59 . 5.536 -5.778 -2.125 1.00 94.18 59 A 1 ATOM 450 C C . MET A 0 59 . 6.543 -6.741 -2.764 1.00 94.18 59 A 1 ATOM 451 C CB . MET A 0 59 . 5.797 -5.681 -0.615 1.00 94.18 59 A 1 ATOM 452 O O . MET A 0 59 . 7.526 -6.286 -3.340 1.00 94.18 59 A 1 ATOM 453 C CG . MET A 0 59 . 5.158 -4.433 0.005 1.00 94.18 59 A 1 ATOM 454 S SD . MET A 0 59 . 5.597 -4.127 1.742 1.00 94.18 59 A 1 ATOM 455 C CE . MET A 0 59 . 4.843 -5.559 2.545 1.00 94.18 59 A 1 ATOM 456 N N . GLU A 0 60 . 6.287 -8.048 -2.720 1.00 91.70 60 A 1 ATOM 457 C CA . GLU A 0 60 . 7.105 -9.064 -3.393 1.00 91.70 60 A 1 ATOM 458 C C . GLU A 0 60 . 7.096 -8.890 -4.921 1.00 91.70 60 A 1 ATOM 459 C CB . GLU A 0 60 . 6.572 -10.447 -2.990 1.00 91.70 60 A 1 ATOM 460 O O . GLU A 0 60 . 8.134 -8.974 -5.576 1.00 91.70 60 A 1 ATOM 461 C CG . GLU A 0 60 . 7.388 -11.609 -3.573 1.00 91.70 60 A 1 ATOM 462 C CD . GLU A 0 60 . 6.765 -12.982 -3.276 1.00 91.70 60 A 1 ATOM 463 O OE1 . GLU A 0 60 . 7.526 -13.972 -3.323 1.00 91.70 60 A 1 ATOM 464 O OE2 . GLU A 0 60 . 5.524 -13.056 -3.087 1.00 91.70 60 A 1 ATOM 465 N N . LYS A 0 61 . 5.937 -8.598 -5.522 1.00 93.91 61 A 1 ATOM 466 C CA . LYS A 0 61 . 5.854 -8.345 -6.969 1.00 93.91 61 A 1 ATOM 467 C C . LYS A 0 61 . 6.562 -7.058 -7.375 1.00 93.91 61 A 1 ATOM 468 C CB . LYS A 0 61 . 4.389 -8.354 -7.436 1.00 93.91 61 A 1 ATOM 469 O O . LYS A 0 61 . 7.257 -7.048 -8.388 1.00 93.91 61 A 1 ATOM 470 C CG . LYS A 0 61 . 3.717 -9.733 -7.335 1.00 93.91 61 A 1 ATOM 471 C CD . LYS A 0 61 . 4.391 -10.789 -8.220 1.00 93.91 61 A 1 ATOM 472 C CE . LYS A 0 61 . 3.703 -12.138 -8.019 1.00 93.91 61 A 1 ATOM 473 N NZ . LYS A 0 61 . 4.484 -13.228 -8.656 1.00 93.91 61 A 1 ATOM 474 N N . ILE A 0 62 . 6.433 -5.996 -6.584 1.00 91.90 62 A 1 ATOM 475 C CA . ILE A 0 62 . 7.140 -4.735 -6.830 1.00 91.90 62 A 1 ATOM 476 C C . ILE A 0 62 . 8.652 -4.936 -6.689 1.00 91.90 62 A 1 ATOM 477 C CB . ILE A 0 62 . 6.604 -3.623 -5.902 1.00 91.90 62 A 1 ATOM 478 O O . ILE A 0 62 . 9.402 -4.482 -7.551 1.00 91.90 62 A 1 ATOM 479 C CG1 . ILE A 0 62 . 5.153 -3.257 -6.292 1.00 91.90 62 A 1 ATOM 480 C CG2 . ILE A 0 62 . 7.501 -2.372 -5.971 1.00 91.90 62 A 1 ATOM 481 C CD1 . ILE A 0 62 . 4.439 -2.388 -5.250 1.00 91.90 62 A 1 ATOM 482 N N . SER A 0 63 . 9.115 -5.656 -5.662 1.00 90.91 63 A 1 ATOM 483 C CA . SER A 0 63 . 10.546 -5.924 -5.486 1.00 90.91 63 A 1 ATOM 484 C C . SER A 0 63 . 11.119 -6.725 -6.655 1.00 90.91 63 A 1 ATOM 485 C CB . SER A 0 63 . 10.831 -6.619 -4.152 1.00 90.91 63 A 1 ATOM 486 O O . SER A 0 63 . 12.207 -6.411 -7.129 1.00 90.91 63 A 1 ATOM 487 O OG . SER A 0 63 . 10.443 -7.975 -4.171 1.00 90.91 63 A 1 ATOM 488 N N . PHE A 0 64 . 10.367 -7.690 -7.190 1.00 88.09 64 A 1 ATOM 489 C CA . PHE A 0 64 . 10.753 -8.435 -8.385 1.00 88.09 64 A 1 ATOM 490 C C . PHE A 0 64 . 10.919 -7.532 -9.613 1.00 88.09 64 A 1 ATOM 491 C CB . PHE A 0 64 . 9.704 -9.515 -8.651 1.00 88.09 64 A 1 ATOM 492 O O . PHE A 0 64 . 11.899 -7.669 -10.348 1.00 88.09 64 A 1 ATOM 493 C CG . PHE A 0 64 . 10.015 -10.356 -9.867 1.00 88.09 64 A 1 ATOM 494 C CD1 . PHE A 0 64 . 9.544 -9.974 -11.138 1.00 88.09 64 A 1 ATOM 495 C CD2 . PHE A 0 64 . 10.784 -11.522 -9.722 1.00 88.09 64 A 1 ATOM 496 C CE1 . PHE A 0 64 . 9.828 -10.768 -12.261 1.00 88.09 64 A 1 ATOM 497 C CE2 . PHE A 0 64 . 11.040 -12.332 -10.838 1.00 88.09 64 A 1 ATOM 498 C CZ . PHE A 0 64 . 10.557 -11.957 -12.106 1.00 88.09 64 A 1 ATOM 499 N N . VAL A 0 65 . 9.986 -6.600 -9.834 1.00 89.33 65 A 1 ATOM 500 C CA . VAL A 0 65 . 10.079 -5.625 -10.932 1.00 89.33 65 A 1 ATOM 501 C C . VAL A 0 65 . 11.315 -4.745 -10.751 1.00 89.33 65 A 1 ATOM 502 C CB . VAL A 0 65 . 8.791 -4.787 -11.045 1.00 89.33 65 A 1 ATOM 503 O O . VAL A 0 65 . 12.121 -4.648 -11.672 1.00 89.33 65 A 1 ATOM 504 C CG1 . VAL A 0 65 . 8.927 -3.641 -12.056 1.00 89.33 65 A 1 ATOM 505 C CG2 . VAL A 0 65 . 7.620 -5.666 -11.507 1.00 89.33 65 A 1 ATOM 506 N N . ILE A 0 66 . 11.531 -4.196 -9.552 1.00 89.43 66 A 1 ATOM 507 C CA . ILE A 0 66 . 12.709 -3.371 -9.238 1.00 89.43 66 A 1 ATOM 508 C C . ILE A 0 66 . 14.005 -4.152 -9.489 1.00 89.43 66 A 1 ATOM 509 C CB . ILE A 0 66 . 12.630 -2.851 -7.783 1.00 89.43 66 A 1 ATOM 510 O O . ILE A 0 66 . 14.897 -3.665 -10.178 1.00 89.43 66 A 1 ATOM 511 C CG1 . ILE A 0 66 . 11.463 -1.848 -7.634 1.00 89.43 66 A 1 ATOM 512 C CG2 . ILE A 0 66 . 13.954 -2.184 -7.355 1.00 89.43 66 A 1 ATOM 513 C CD1 . ILE A 0 66 . 11.137 -1.489 -6.178 1.00 89.43 66 A 1 ATOM 514 N N . LEU A 0 67 . 14.108 -5.386 -8.987 1.00 86.41 67 A 1 ATOM 515 C CA . LEU A 0 67 . 15.286 -6.230 -9.194 1.00 86.41 67 A 1 ATOM 516 C C . LEU A 0 67 . 15.512 -6.544 -10.674 1.00 86.41 67 A 1 ATOM 517 C CB . LEU A 0 67 . 15.136 -7.537 -8.397 1.00 86.41 67 A 1 ATOM 518 O O . LEU A 0 67 . 16.656 -6.548 -11.124 1.00 86.41 67 A 1 ATOM 519 C CG . LEU A 0 67 . 15.316 -7.386 -6.877 1.00 86.41 67 A 1 ATOM 520 C CD1 . LEU A 0 67 . 14.980 -8.717 -6.204 1.00 86.41 67 A 1 ATOM 521 C CD2 . LEU A 0 67 . 16.750 -7.004 -6.498 1.00 86.41 67 A 1 ATOM 522 N N . SER A 0 68 . 14.443 -6.771 -11.437 1.00 86.47 68 A 1 ATOM 523 C CA . SER A 0 68 . 14.528 -7.010 -12.881 1.00 86.47 68 A 1 ATOM 524 C C . SER A 0 68 . 15.029 -5.777 -13.633 1.00 86.47 68 A 1 ATOM 525 C CB . SER A 0 68 . 13.173 -7.449 -13.439 1.00 86.47 68 A 1 ATOM 526 O O . SER A 0 68 . 15.811 -5.922 -14.566 1.00 86.47 68 A 1 ATOM 527 O OG . SER A 0 68 . 12.735 -8.631 -12.795 1.00 86.47 68 A 1 ATOM 528 N N . MET A 0 69 . 14.656 -4.570 -13.194 1.00 84.24 69 A 1 ATOM 529 C CA . MET A 0 69 . 15.193 -3.314 -13.732 1.00 84.24 69 A 1 ATOM 530 C C . MET A 0 69 . 16.662 -3.092 -13.338 1.00 84.24 69 A 1 ATOM 531 C CB . MET A 0 69 . 14.339 -2.129 -13.257 1.00 84.24 69 A 1 ATOM 532 O O . MET A 0 69 . 17.437 -2.551 -14.122 1.00 84.24 69 A 1 ATOM 533 C CG . MET A 0 69 . 12.905 -2.170 -13.797 1.00 84.24 69 A 1 ATOM 534 S SD . MET A 0 69 . 11.853 -0.833 -13.174 1.00 84.24 69 A 1 ATOM 535 C CE . MET A 0 69 . 12.418 0.527 -14.235 1.00 84.24 69 A 1 ATOM 536 N N . CYS A 0 70 . 17.077 -3.530 -12.144 1.00 80.67 70 A 1 ATOM 537 C CA . CYS A 0 70 . 18.474 -3.458 -11.705 1.00 80.67 70 A 1 ATOM 538 C C . CYS A 0 70 . 19.380 -4.504 -12.373 1.00 80.67 70 A 1 ATOM 539 C CB . CYS A 0 70 . 18.547 -3.611 -10.181 1.00 80.67 70 A 1 ATOM 540 O O . CYS A 0 70 . 20.590 -4.279 -12.468 1.00 80.67 70 A 1 ATOM 541 S SG . CYS A 0 70 . 17.728 -2.228 -9.339 1.00 80.67 70 A 1 ATOM 542 N N . LYS A 0 71 . 18.831 -5.638 -12.836 1.00 77.08 71 A 1 ATOM 543 C CA . LYS A 0 71 . 19.547 -6.637 -13.645 1.00 77.08 71 A 1 ATOM 544 C C . LYS A 0 71 . 19.824 -6.054 -15.042 1.00 77.08 71 A 1 ATOM 545 C CB . LYS A 0 71 . 18.793 -7.990 -13.673 1.00 77.08 71 A 1 ATOM 546 O O . LYS A 0 71 . 19.188 -6.387 -16.034 1.00 77.08 71 A 1 ATOM 547 C CG . LYS A 0 71 . 18.931 -8.815 -12.371 1.00 77.08 71 A 1 ATOM 548 C CD . LYS A 0 71 . 18.342 -10.241 -12.491 1.00 77.08 71 A 1 ATOM 549 C CE . LYS A 0 71 . 18.593 -11.085 -11.217 1.00 77.08 71 A 1 ATOM 550 N NZ . LYS A 0 71 . 18.373 -12.556 -11.408 1.00 77.08 71 A 1 ATOM 551 N N . SER A 0 72 . 20.801 -5.154 -15.106 1.00 60.40 72 A 1 ATOM 552 C CA . SER A 0 72 . 21.353 -4.589 -16.336 1.00 60.40 72 A 1 ATOM 553 C C . SER A 0 72 . 21.844 -5.699 -17.273 1.00 60.40 72 A 1 ATOM 554 C CB . SER A 0 72 . 22.514 -3.658 -15.962 1.00 60.40 72 A 1 ATOM 555 O O . SER A 0 72 . 22.790 -6.403 -16.937 1.00 60.40 72 A 1 ATOM 556 O OG . SER A 0 72 . 23.200 -3.199 -17.111 1.00 60.40 72 A 1 ATOM 557 N N . SER A 0 73 . 21.187 -5.845 -18.432 1.00 59.45 73 A 1 ATOM 558 C CA . SER A 0 73 . 21.734 -6.157 -19.772 1.00 59.45 73 A 1 ATOM 559 C C . SER A 0 73 . 22.922 -7.143 -19.923 1.00 59.45 73 A 1 ATOM 560 C CB . SER A 0 73 . 22.011 -4.822 -20.484 1.00 59.45 73 A 1 ATOM 561 O O . SER A 0 73 . 23.631 -7.101 -20.933 1.00 59.45 73 A 1 ATOM 562 O OG . SER A 0 73 . 22.361 -5.003 -21.837 1.00 59.45 73 A 1 ATOM 563 N N . LYS A 0 74 . 23.175 -8.071 -18.997 1.00 54.66 74 A 1 ATOM 564 C CA . LYS A 0 74 . 24.201 -9.109 -19.160 1.00 54.66 74 A 1 ATOM 565 C C . LYS A 0 74 . 23.636 -10.446 -18.702 1.00 54.66 74 A 1 ATOM 566 C CB . LYS A 0 74 . 25.500 -8.674 -18.465 1.00 54.66 74 A 1 ATOM 567 O O . LYS A 0 74 . 23.271 -10.607 -17.546 1.00 54.66 74 A 1 ATOM 568 C CG . LYS A 0 74 . 26.724 -9.248 -19.193 1.00 54.66 74 A 1 ATOM 569 C CD . LYS A 0 74 . 28.013 -8.591 -18.690 1.00 54.66 74 A 1 ATOM 570 C CE . LYS A 0 74 . 29.211 -9.151 -19.461 1.00 54.66 74 A 1 ATOM 571 N NZ . LYS A 0 74 . 30.474 -8.508 -19.030 1.00 54.66 74 A 1 ATOM 572 N N . GLY A 0 75 . 23.476 -11.334 -19.680 1.00 54.65 75 A 1 ATOM 573 C CA . GLY A 0 75 . 22.626 -12.518 -19.634 1.00 54.65 75 A 1 ATOM 574 C C . GLY A 0 75 . 22.750 -13.378 -18.382 1.00 54.65 75 A 1 ATOM 575 O O . GLY A 0 75 . 23.825 -13.869 -18.071 1.00 54.65 75 A 1 ATOM 576 N N . GLU A 0 76 . 21.601 -13.626 -17.762 1.00 49.11 76 A 1 ATOM 577 C CA . GLU A 0 76 . 21.311 -14.831 -16.987 1.00 49.11 76 A 1 ATOM 578 C C . GLU A 0 76 . 19.795 -15.067 -17.049 1.00 49.11 76 A 1 ATOM 579 C CB . GLU A 0 76 . 21.886 -14.751 -15.563 1.00 49.11 76 A 1 ATOM 580 O O . GLU A 0 76 . 18.998 -14.635 -16.215 1.00 49.11 76 A 1 ATOM 581 C CG . GLU A 0 76 . 23.060 -15.739 -15.430 1.00 49.11 76 A 1 ATOM 582 C CD . GLU A 0 76 . 23.790 -15.648 -14.087 1.00 49.11 76 A 1 ATOM 583 O OE1 . GLU A 0 76 . 24.887 -16.246 -13.998 1.00 49.11 76 A 1 ATOM 584 O OE2 . GLU A 0 76 . 23.258 -14.981 -13.171 1.00 49.11 76 A 1 ATOM 585 N N . THR A 0 77 . 19.381 -15.686 -18.151 1.00 53.68 77 A 1 ATOM 586 C CA . THR A 0 77 . 18.003 -16.082 -18.427 1.00 53.68 77 A 1 ATOM 587 C C . THR A 0 77 . 17.769 -17.481 -17.858 1.00 53.68 77 A 1 ATOM 588 C CB . THR A 0 77 . 17.729 -16.056 -19.952 1.00 53.68 77 A 1 ATOM 589 O O . THR A 0 77 . 17.759 -18.431 -18.625 1.00 53.68 77 A 1 ATOM 590 C CG2 . THR A 0 77 . 16.235 -15.994 -20.273 1.00 53.68 77 A 1 ATOM 591 O OG1 . THR A 0 77 . 18.321 -14.931 -20.560 1.00 53.68 77 A 1 ATOM 592 N N . ASP A 0 78 . 17.605 -17.646 -16.538 1.00 54.43 78 A 1 ATOM 593 C CA . ASP A 0 78 . 16.956 -18.884 -16.046 1.00 54.43 78 A 1 ATOM 594 C C . ASP A 0 78 . 16.375 -18.850 -14.622 1.00 54.43 78 A 1 ATOM 595 C CB . ASP A 0 78 . 17.868 -20.125 -16.215 1.00 54.43 78 A 1 ATOM 596 O O . ASP A 0 78 . 15.476 -19.627 -14.306 1.00 54.43 78 A 1 ATOM 597 C CG . ASP A 0 78 . 17.191 -21.278 -16.991 1.00 54.43 78 A 1 ATOM 598 O OD1 . ASP A 0 78 . 15.958 -21.226 -17.249 1.00 54.43 78 A 1 ATOM 599 O OD2 . ASP A 0 78 . 17.916 -22.241 -17.321 1.00 54.43 78 A 1 ATOM 600 N N . GLU A 0 79 . 16.774 -17.916 -13.754 1.00 55.33 79 A 1 ATOM 601 C CA . GLU A 0 79 . 16.242 -17.906 -12.377 1.00 55.33 79 A 1 ATOM 602 C C . GLU A 0 79 . 14.765 -17.485 -12.283 1.00 55.33 79 A 1 ATOM 603 C CB . GLU A 0 79 . 17.086 -16.998 -11.485 1.00 55.33 79 A 1 ATOM 604 O O . GLU A 0 79 . 14.092 -17.792 -11.306 1.00 55.33 79 A 1 ATOM 605 C CG . GLU A 0 79 . 18.524 -17.502 -11.309 1.00 55.33 79 A 1 ATOM 606 C CD . GLU A 0 79 . 19.286 -16.626 -10.305 1.00 55.33 79 A 1 ATOM 607 O OE1 . GLU A 0 79 . 20.139 -17.196 -9.594 1.00 55.33 79 A 1 ATOM 608 O OE2 . GLU A 0 79 . 18.970 -15.403 -10.237 1.00 55.33 79 A 1 ATOM 609 N N . LEU A 0 80 . 14.213 -16.805 -13.294 1.00 54.56 80 A 1 ATOM 610 C CA . LEU A 0 80 . 12.847 -16.266 -13.215 1.00 54.56 80 A 1 ATOM 611 C C . LEU A 0 80 . 11.758 -17.347 -13.329 1.00 54.56 80 A 1 ATOM 612 C CB . LEU A 0 80 . 12.649 -15.154 -14.261 1.00 54.56 80 A 1 ATOM 613 O O . LEU A 0 80 . 10.641 -17.138 -12.858 1.00 54.56 80 A 1 ATOM 614 C CG . LEU A 0 80 . 13.684 -14.011 -14.217 1.00 54.56 80 A 1 ATOM 615 C CD1 . LEU A 0 80 . 13.295 -12.931 -15.225 1.00 54.56 80 A 1 ATOM 616 C CD2 . LEU A 0 80 . 13.830 -13.353 -12.848 1.00 54.56 80 A 1 ATOM 617 N N . LYS A 0 81 . 12.065 -18.513 -13.916 1.00 57.16 81 A 1 ATOM 618 C CA . LYS A 0 81 . 11.114 -19.635 -13.993 1.00 57.16 81 A 1 ATOM 619 C C . LYS A 0 81 . 10.936 -20.353 -12.654 1.00 57.16 81 A 1 ATOM 620 C CB . LYS A 0 81 . 11.543 -20.634 -15.079 1.00 57.16 81 A 1 ATOM 621 O O . LYS A 0 81 . 9.866 -20.908 -12.420 1.00 57.16 81 A 1 ATOM 622 C CG . LYS A 0 81 . 11.150 -20.177 -16.491 1.00 57.16 81 A 1 ATOM 623 C CD . LYS A 0 81 . 11.594 -21.238 -17.504 1.00 57.16 81 A 1 ATOM 624 C CE . LYS A 0 81 . 11.228 -20.837 -18.935 1.00 57.16 81 A 1 ATOM 625 N NZ . LYS A 0 81 . 11.857 -21.772 -19.899 1.00 57.16 81 A 1 ATOM 626 N N . SER A 0 82 . 11.936 -20.337 -11.769 1.00 55.34 82 A 1 ATOM 627 C CA . SER A 0 82 . 11.886 -21.096 -10.509 1.00 55.34 82 A 1 ATOM 628 C C . SER A 0 82 . 10.940 -20.477 -9.471 1.00 55.34 82 A 1 ATOM 629 C CB . SER A 0 82 . 13.295 -21.269 -9.937 1.00 55.34 82 A 1 ATOM 630 O O . SER A 0 82 . 10.327 -21.203 -8.692 1.00 55.34 82 A 1 ATOM 631 O OG . SER A 0 82 . 13.769 -20.027 -9.473 1.00 55.34 82 A 1 ATOM 632 N N . PHE A 0 83 . 10.733 -19.156 -9.512 1.00 53.51 83 A 1 ATOM 633 C CA . PHE A 0 83 . 9.801 -18.447 -8.622 1.00 53.51 83 A 1 ATOM 634 C C . PHE A 0 83 . 8.342 -18.489 -9.089 1.00 53.51 83 A 1 ATOM 635 C CB . PHE A 0 83 . 10.276 -17.007 -8.415 1.00 53.51 83 A 1 ATOM 636 O O . PHE A 0 83 . 7.457 -17.953 -8.424 1.00 53.51 83 A 1 ATOM 637 C CG . PHE A 0 83 . 11.612 -16.927 -7.713 1.00 53.51 83 A 1 ATOM 638 C CD1 . PHE A 0 83 . 11.686 -17.112 -6.320 1.00 53.51 83 A 1 ATOM 639 C CD2 . PHE A 0 83 . 12.784 -16.699 -8.454 1.00 53.51 83 A 1 ATOM 640 C CE1 . PHE A 0 83 . 12.931 -17.065 -5.670 1.00 53.51 83 A 1 ATOM 641 C CE2 . PHE A 0 83 . 14.029 -16.655 -7.805 1.00 53.51 83 A 1 ATOM 642 C CZ . PHE A 0 83 . 14.103 -16.836 -6.414 1.00 53.51 83 A 1 ATOM 643 N N . GLN A 0 84 . 8.058 -19.162 -10.206 1.00 49.95 84 A 1 ATOM 644 C CA . GLN A 0 84 . 6.699 -19.451 -10.659 1.00 49.95 84 A 1 ATOM 645 C C . GLN A 0 84 . 6.049 -20.579 -9.834 1.00 49.95 84 A 1 ATOM 646 C CB . GLN A 0 84 . 6.724 -19.723 -12.174 1.00 49.95 84 A 1 ATOM 647 O O . GLN A 0 84 . 5.142 -21.255 -10.325 1.00 49.95 84 A 1 ATOM 648 C CG . GLN A 0 84 . 5.443 -19.262 -12.879 1.00 49.95 84 A 1 ATOM 649 C CD . GLN A 0 84 . 5.494 -19.560 -14.372 1.00 49.95 84 A 1 ATOM 650 N NE2 . GLN A 0 84 . 5.614 -18.564 -15.225 1.00 49.95 84 A 1 ATOM 651 O OE1 . GLN A 0 84 . 5.429 -20.693 -14.812 1.00 49.95 84 A 1 ATOM 652 N N . THR A 0 85 . 6.498 -20.802 -8.586 1.00 53.91 85 A 1 ATOM 653 C CA . THR A 0 85 . 5.804 -21.659 -7.625 1.00 53.91 85 A 1 ATOM 654 C C . THR A 0 85 . 4.334 -21.283 -7.671 1.00 53.91 85 A 1 ATOM 655 C CB . THR A 0 85 . 6.332 -21.541 -6.177 1.00 53.91 85 A 1 ATOM 656 O O . THR A 0 85 . 3.969 -20.118 -7.516 1.00 53.91 85 A 1 ATOM 657 C CG2 . THR A 0 85 . 6.952 -22.859 -5.718 1.00 53.91 85 A 1 ATOM 658 O OG1 . THR A 0 85 . 7.329 -20.554 -6.041 1.00 53.91 85 A 1 ATOM 659 N N . ALA A 0 86 . 3.514 -22.273 -8.014 1.00 55.50 86 A 1 ATOM 660 C CA . ALA A 0 86 . 2.107 -22.132 -8.326 1.00 55.50 86 A 1 ATOM 661 C C . ALA A 0 86 . 1.322 -21.672 -7.089 1.00 55.50 86 A 1 ATOM 662 C CB . ALA A 0 86 . 1.629 -23.479 -8.887 1.00 55.50 86 A 1 ATOM 663 O O . ALA A 0 86 . 0.651 -22.459 -6.423 1.00 55.50 86 A 1 ATOM 664 N N . TRP A 0 87 . 1.408 -20.387 -6.758 1.00 55.36 87 A 1 ATOM 665 C CA . TRP A 0 87 . 0.620 -19.788 -5.697 1.00 55.36 87 A 1 ATOM 666 C C . TRP A 0 87 . -0.783 -19.562 -6.236 1.00 55.36 87 A 1 ATOM 667 C CB . TRP A 0 87 . 1.306 -18.542 -5.140 1.00 55.36 87 A 1 ATOM 668 O O . TRP A 0 87 . -1.110 -18.547 -6.850 1.00 55.36 87 A 1 ATOM 669 C CG . TRP A 0 87 . 2.603 -18.841 -4.451 1.00 55.36 87 A 1 ATOM 670 C CD1 . TRP A 0 87 . 3.827 -18.467 -4.888 1.00 55.36 87 A 1 ATOM 671 C CD2 . TRP A 0 87 . 2.841 -19.621 -3.235 1.00 55.36 87 A 1 ATOM 672 C CE2 . TRP A 0 87 . 4.248 -19.664 -2.995 1.00 55.36 87 A 1 ATOM 673 C CE3 . TRP A 0 87 . 2.014 -20.306 -2.315 1.00 55.36 87 A 1 ATOM 674 N NE1 . TRP A 0 87 . 4.797 -18.936 -4.028 1.00 55.36 87 A 1 ATOM 675 C CH2 . TRP A 0 87 . 3.957 -21.012 -1.008 1.00 55.36 87 A 1 ATOM 676 C CZ2 . TRP A 0 87 . 4.807 -20.341 -1.903 1.00 55.36 87 A 1 ATOM 677 C CZ3 . TRP A 0 87 . 2.565 -20.995 -1.216 1.00 55.36 87 A 1 ATOM 678 N N . LYS A 0 88 . -1.621 -20.578 -6.039 1.00 58.61 88 A 1 ATOM 679 C CA . LYS A 0 88 . -3.059 -20.480 -6.239 1.00 58.61 88 A 1 ATOM 680 C C . LYS A 0 88 . -3.581 -19.470 -5.220 1.00 58.61 88 A 1 ATOM 681 C CB . LYS A 0 88 . -3.663 -21.885 -6.091 1.00 58.61 88 A 1 ATOM 682 O O . LYS A 0 88 . -3.509 -19.720 -4.019 1.00 58.61 88 A 1 ATOM 683 C CG . LYS A 0 88 . -5.096 -21.982 -6.628 1.00 58.61 88 A 1 ATOM 684 C CD . LYS A 0 88 . -5.574 -23.439 -6.555 1.00 58.61 88 A 1 ATOM 685 C CE . LYS A 0 88 . -6.979 -23.582 -7.149 1.00 58.61 88 A 1 ATOM 686 N NZ . LYS A 0 88 . -7.452 -24.988 -7.086 1.00 58.61 88 A 1 ATOM 687 N N . TYR A 0 89 . -4.071 -18.330 -5.703 1.00 52.14 89 A 1 ATOM 688 C CA . TYR A 0 89 . -4.762 -17.347 -4.870 1.00 52.14 89 A 1 ATOM 689 C C . TYR A 0 89 . -5.809 -18.087 -4.022 1.00 52.14 89 A 1 ATOM 690 C CB . TYR A 0 89 . -5.434 -16.287 -5.766 1.00 52.14 89 A 1 ATOM 691 O O . TYR A 0 89 . -6.587 -18.869 -4.589 1.00 52.14 89 A 1 ATOM 692 C CG . TYR A 0 89 . -5.166 -14.850 -5.364 1.00 52.14 89 A 1 ATOM 693 C CD1 . TYR A 0 89 . -6.135 -14.110 -4.663 1.00 52.14 89 A 1 ATOM 694 C CD2 . TYR A 0 89 . -3.951 -14.241 -5.736 1.00 52.14 89 A 1 ATOM 695 C CE1 . TYR A 0 89 . -5.889 -12.760 -4.336 1.00 52.14 89 A 1 ATOM 696 C CE2 . TYR A 0 89 . -3.699 -12.896 -5.405 1.00 52.14 89 A 1 ATOM 697 O OH . TYR A 0 89 . -4.437 -10.856 -4.372 1.00 52.14 89 A 1 ATOM 698 C CZ . TYR A 0 89 . -4.670 -12.153 -4.701 1.00 52.14 89 A 1 ATOM 699 N N . PRO A 0 90 . -5.862 -17.891 -2.695 1.00 60.04 90 A 1 ATOM 700 C CA . PRO A 0 90 . -7.019 -18.323 -1.935 1.00 60.04 90 A 1 ATOM 701 C C . PRO A 0 90 . -8.261 -17.721 -2.596 1.00 60.04 90 A 1 ATOM 702 C CB . PRO A 0 90 . -6.796 -17.829 -0.502 1.00 60.04 90 A 1 ATOM 703 O O . PRO A 0 90 . -8.274 -16.543 -2.957 1.00 60.04 90 A 1 ATOM 704 C CG . PRO A 0 90 . -5.280 -17.636 -0.423 1.00 60.04 90 A 1 ATOM 705 C CD . PRO A 0 90 . -4.906 -17.209 -1.842 1.00 60.04 90 A 1 ATOM 706 N N . SER A 0 91 . -9.290 -18.535 -2.827 1.00 62.35 91 A 1 ATOM 707 C CA . SER A 0 91 . -10.570 -18.013 -3.301 1.00 62.35 91 A 1 ATOM 708 C C . SER A 0 91 . -11.153 -17.158 -2.182 1.00 62.35 91 A 1 ATOM 709 C CB . SER A 0 91 . -11.523 -19.148 -3.704 1.00 62.35 91 A 1 ATOM 710 O O . SER A 0 91 . -11.668 -17.686 -1.199 1.00 62.35 91 A 1 ATOM 711 O OG . SER A 0 91 . -11.827 -19.054 -5.081 1.00 62.35 91 A 1 ATOM 712 N N . TYR A 0 92 . -11.015 -15.840 -2.297 1.00 59.79 92 A 1 ATOM 713 C CA . TYR A 0 92 . -11.644 -14.919 -1.364 1.00 59.79 92 A 1 ATOM 714 C C . TYR A 0 92 . -13.121 -14.786 -1.744 1.00 59.79 92 A 1 ATOM 715 C CB . TYR A 0 92 . -10.925 -13.566 -1.349 1.00 59.79 92 A 1 ATOM 716 O O . TYR A 0 92 . -13.423 -14.567 -2.923 1.00 59.79 92 A 1 ATOM 717 C CG . TYR A 0 92 . -9.494 -13.659 -0.855 1.00 59.79 92 A 1 ATOM 718 C CD1 . TYR A 0 92 . -9.225 -13.755 0.525 1.00 59.79 92 A 1 ATOM 719 C CD2 . TYR A 0 92 . -8.432 -13.691 -1.778 1.00 59.79 92 A 1 ATOM 720 C CE1 . TYR A 0 92 . -7.898 -13.886 0.980 1.00 59.79 92 A 1 ATOM 721 C CE2 . TYR A 0 92 . -7.107 -13.830 -1.325 1.00 59.79 92 A 1 ATOM 722 O OH . TYR A 0 92 . -5.557 -14.054 0.481 1.00 59.79 92 A 1 ATOM 723 C CZ . TYR A 0 92 . -6.837 -13.924 0.053 1.00 59.79 92 A 1 ATOM 724 N N . PRO A 0 93 . -14.059 -14.898 -0.788 1.00 62.46 93 A 1 ATOM 725 C CA . PRO A 0 93 . -15.430 -14.508 -1.061 1.00 62.46 93 A 1 ATOM 726 C C . PRO A 0 93 . -15.398 -13.043 -1.493 1.00 62.46 93 A 1 ATOM 727 C CB . PRO A 0 93 . -16.200 -14.745 0.242 1.00 62.46 93 A 1 ATOM 728 O O . PRO A 0 93 . -14.795 -12.212 -0.808 1.00 62.46 93 A 1 ATOM 729 C CG . PRO A 0 93 . -15.126 -14.652 1.327 1.00 62.46 93 A 1 ATOM 730 C CD . PRO A 0 93 . -13.861 -15.152 0.632 1.00 62.46 93 A 1 ATOM 731 N N . ARG A 0 94 . -16.006 -12.719 -2.643 1.00 55.69 94 A 1 ATOM 732 C CA . ARG A 0 94 . -16.221 -11.318 -3.010 1.00 55.69 94 A 1 ATOM 733 C C . ARG A 0 94 . -16.931 -10.672 -1.829 1.00 55.69 94 A 1 ATOM 734 C CB . ARG A 0 94 . -17.076 -11.162 -4.279 1.00 55.69 94 A 1 ATOM 735 O O . ARG A 0 94 . -18.071 -11.024 -1.534 1.00 55.69 94 A 1 ATOM 736 C CG . ARG A 0 94 . -16.299 -11.356 -5.589 1.00 55.69 94 A 1 ATOM 737 C CD . ARG A 0 94 . -17.161 -10.832 -6.747 1.00 55.69 94 A 1 ATOM 738 N NE . ARG A 0 94 . -16.546 -11.066 -8.068 1.00 55.69 94 A 1 ATOM 739 N NH1 . ARG A 0 94 . -18.410 -10.576 -9.323 1.00 55.69 94 A 1 ATOM 740 N NH2 . ARG A 0 94 . -16.535 -11.221 -10.342 1.00 55.69 94 A 1 ATOM 741 C CZ . ARG A 0 94 . -17.164 -10.954 -9.232 1.00 55.69 94 A 1 ATOM 742 N N . CYS A 0 95 . -16.250 -9.759 -1.141 1.00 51.36 95 A 1 ATOM 743 C CA . CYS A 0 95 . -16.941 -8.838 -0.263 1.00 51.36 95 A 1 ATOM 744 C C . CYS A 0 95 . -17.924 -8.117 -1.181 1.00 51.36 95 A 1 ATOM 745 C CB . CYS A 0 95 . -15.927 -7.890 0.391 1.00 51.36 95 A 1 ATOM 746 O O . CYS A 0 95 . -17.491 -7.430 -2.108 1.00 51.36 95 A 1 ATOM 747 S SG . CYS A 0 95 . -16.761 -6.910 1.671 1.00 51.36 95 A 1 ATOM 748 N N . MET A 0 96 . -19.224 -8.362 -1.006 1.00 43.84 96 A 1 ATOM 749 C CA . MET A 0 96 . -20.239 -7.527 -1.627 1.00 43.84 96 A 1 ATOM 750 C C . MET A 0 96 . -20.082 -6.161 -0.971 1.00 43.84 96 A 1 ATOM 751 C CB . MET A 0 96 . -21.655 -8.108 -1.465 1.00 43.84 96 A 1 ATOM 752 O O . MET A 0 96 . -20.682 -5.873 0.061 1.00 43.84 96 A 1 ATOM 753 C CG . MET A 0 96 . -21.802 -9.482 -2.136 1.00 43.84 96 A 1 ATOM 754 S SD . MET A 0 96 . -23.335 -9.738 -3.076 1.00 43.84 96 A 1 ATOM 755 C CE . MET A 0 96 . -24.591 -9.560 -1.781 1.00 43.84 96 A 1 ATOM 756 N N . ILE A 0 97 . -19.177 -5.352 -1.517 1.00 47.09 97 A 1 ATOM 757 C CA . ILE A 0 97 . -19.228 -3.917 -1.334 1.00 47.09 97 A 1 ATOM 758 C C . ILE A 0 97 . -20.545 -3.560 -2.002 1.00 47.09 97 A 1 ATOM 759 C CB . ILE A 0 97 . -17.994 -3.221 -1.950 1.00 47.09 97 A 1 ATOM 760 O O . ILE A 0 97 . -20.655 -3.534 -3.222 1.00 47.09 97 A 1 ATOM 761 C CG1 . ILE A 0 97 . -16.719 -3.656 -1.186 1.00 47.09 97 A 1 ATOM 762 C CG2 . ILE A 0 97 . -18.171 -1.693 -1.901 1.00 47.09 97 A 1 ATOM 763 C CD1 . ILE A 0 97 . -15.410 -3.207 -1.844 1.00 47.09 97 A 1 ATOM 764 N N . ASN A 0 98 . -21.588 -3.443 -1.186 1.00 45.66 98 A 1 ATOM 765 C CA . ASN A 0 98 . -22.790 -2.770 -1.615 1.00 45.66 98 A 1 ATOM 766 C C . ASN A 0 98 . -22.322 -1.382 -2.041 1.00 45.66 98 A 1 ATOM 767 C CB . ASN A 0 98 . -23.798 -2.715 -0.450 1.00 45.66 98 A 1 ATOM 768 O O . ASN A 0 98 . -21.874 -0.610 -1.191 1.00 45.66 98 A 1 ATOM 769 C CG . ASN A 0 98 . -24.464 -4.048 -0.160 1.00 45.66 98 A 1 ATOM 770 N ND2 . ASN A 0 98 . -24.883 -4.269 1.065 1.00 45.66 98 A 1 ATOM 771 O OD1 . ASN A 0 98 . -24.651 -4.895 -1.013 1.00 45.66 98 A 1 ATOM 772 N N . ASP A 0 99 . -22.411 -1.087 -3.336 1.00 44.42 99 A 1 ATOM 773 C CA . ASP A 0 99 . -22.222 0.245 -3.912 1.00 44.42 99 A 1 ATOM 774 C C . ASP A 0 99 . -23.368 1.179 -3.478 1.00 44.42 99 A 1 ATOM 775 C CB . ASP A 0 99 . -22.100 0.155 -5.445 1.00 44.42 99 A 1 ATOM 776 O O . ASP A 0 99 . -24.000 1.860 -4.282 1.00 44.42 99 A 1 ATOM 777 C CG . ASP A 0 99 . -20.807 -0.498 -5.939 1.00 44.42 99 A 1 ATOM 778 O OD1 . ASP A 0 99 . -19.748 -0.245 -5.320 1.00 44.42 99 A 1 ATOM 779 O OD2 . ASP A 0 99 . -20.890 -1.222 -6.956 1.00 44.42 99 A 1 ATOM 780 N N . SER A 0 100 . -23.683 1.206 -2.181 1.00 43.87 100 A 1 ATOM 781 C CA . SER A 0 100 . -24.401 2.333 -1.617 1.00 43.87 100 A 1 ATOM 782 C C . SER A 0 100 . -23.408 3.488 -1.601 1.00 43.87 100 A 1 ATOM 783 C CB . SER A 0 100 . -24.906 2.036 -0.208 1.00 43.87 100 A 1 ATOM 784 O O . SER A 0 100 . -22.323 3.319 -1.030 1.00 43.87 100 A 1 ATOM 785 O OG . SER A 0 100 . -25.632 3.144 0.292 1.00 43.87 100 A 1 ATOM 786 N N . PRO A 0 101 . -23.735 4.648 -2.199 1.00 48.04 101 A 1 ATOM 787 C CA . PRO A 0 101 . -22.884 5.818 -2.097 1.00 48.04 101 A 1 ATOM 788 C C . PRO A 0 101 . -22.590 6.040 -0.616 1.00 48.04 101 A 1 ATOM 789 C CB . PRO A 0 101 . -23.650 6.970 -2.757 1.00 48.04 101 A 1 ATOM 790 O O . PRO A 0 101 . -23.501 6.091 0.210 1.00 48.04 101 A 1 ATOM 791 C CG . PRO A 0 101 . -25.106 6.506 -2.750 1.00 48.04 101 A 1 ATOM 792 C CD . PRO A 0 101 . -25.008 4.986 -2.811 1.00 48.04 101 A 1 ATOM 793 N N . MET A 0 102 . -21.302 6.061 -0.278 1.00 46.96 102 A 1 ATOM 794 C CA . MET A 0 102 . -20.824 6.475 1.033 1.00 46.96 102 A 1 ATOM 795 C C . MET A 0 102 . -21.310 7.907 1.249 1.00 46.96 102 A 1 ATOM 796 C CB . MET A 0 102 . -19.286 6.392 1.077 1.00 46.96 102 A 1 ATOM 797 O O . MET A 0 102 . -20.646 8.864 0.855 1.00 46.96 102 A 1 ATOM 798 C CG . MET A 0 102 . -18.744 5.043 1.559 1.00 46.96 102 A 1 ATOM 799 S SD . MET A 0 102 . -18.613 4.922 3.369 1.00 46.96 102 A 1 ATOM 800 C CE . MET A 0 102 . -17.298 3.684 3.493 1.00 46.96 102 A 1 ATOM 801 N N . ASP A 0 103 . -22.487 8.057 1.848 1.00 38.56 103 A 1 ATOM 802 C CA . ASP A 0 103 . -22.925 9.316 2.417 1.00 38.56 103 A 1 ATOM 803 C C . ASP A 0 103 . -21.967 9.613 3.574 1.00 38.56 103 A 1 ATOM 804 C CB . ASP A 0 103 . -24.407 9.251 2.848 1.00 38.56 103 A 1 ATOM 805 O O . ASP A 0 103 . -22.095 9.111 4.692 1.00 38.56 103 A 1 ATOM 806 C CG . ASP A 0 103 . -25.342 10.067 1.946 1.00 38.56 103 A 1 ATOM 807 O OD1 . ASP A 0 103 . -24.892 11.129 1.459 1.00 38.56 103 A 1 ATOM 808 O OD2 . ASP A 0 103 . -26.520 9.670 1.830 1.00 38.56 103 A 1 ATOM 809 N N . PHE A 0 104 . -20.953 10.431 3.298 1.00 47.66 104 A 1 ATOM 810 C CA . PHE A 0 104 . -19.988 10.934 4.279 1.00 47.66 104 A 1 ATOM 811 C C . PHE A 0 104 . -20.634 11.853 5.344 1.00 47.66 104 A 1 ATOM 812 C CB . PHE A 0 104 . -18.817 11.608 3.533 1.00 47.66 104 A 1 ATOM 813 O O . PHE A 0 104 . -19.930 12.549 6.074 1.00 47.66 104 A 1 ATOM 814 C CG . PHE A 0 104 . -17.742 10.653 3.044 1.00 47.66 104 A 1 ATOM 815 C CD1 . PHE A 0 104 . -16.696 10.282 3.911 1.00 47.66 104 A 1 ATOM 816 C CD2 . PHE A 0 104 . -17.761 10.155 1.728 1.00 47.66 104 A 1 ATOM 817 C CE1 . PHE A 0 104 . -15.676 9.421 3.467 1.00 47.66 104 A 1 ATOM 818 C CE2 . PHE A 0 104 . -16.743 9.293 1.284 1.00 47.66 104 A 1 ATOM 819 C CZ . PHE A 0 104 . -15.700 8.925 2.152 1.00 47.66 104 A 1 ATOM 820 N N . SER A 0 105 . -21.963 11.863 5.485 1.00 49.74 105 A 1 ATOM 821 C CA . SER A 0 105 . -22.706 12.787 6.348 1.00 49.74 105 A 1 ATOM 822 C C . SER A 0 105 . -22.936 12.301 7.787 1.00 49.74 105 A 1 ATOM 823 C CB . SER A 0 105 . -24.007 13.206 5.659 1.00 49.74 105 A 1 ATOM 824 O O . SER A 0 105 . -23.547 13.015 8.576 1.00 49.74 105 A 1 ATOM 825 O OG . SER A 0 105 . -24.858 12.089 5.523 1.00 49.74 105 A 1 ATOM 826 N N . SER A 0 106 . -22.391 11.151 8.205 1.00 42.91 106 A 1 ATOM 827 C CA . SER A 0 106 . -22.450 10.712 9.613 1.00 42.91 106 A 1 ATOM 828 C C . SER A 0 106 . -21.085 10.397 10.230 1.00 42.91 106 A 1 ATOM 829 C CB . SER A 0 106 . -23.527 9.635 9.829 1.00 42.91 106 A 1 ATOM 830 O O . SER A 0 106 . -20.905 9.418 10.946 1.00 42.91 106 A 1 ATOM 831 O OG . SER A 0 106 . -24.577 10.192 10.599 1.00 42.91 106 A 1 ATOM 832 N N . MET A 0 107 . -20.103 11.283 10.039 1.00 40.59 107 A 1 ATOM 833 C CA . MET A 0 107 . -19.015 11.422 11.018 1.00 40.59 107 A 1 ATOM 834 C C . MET A 0 107 . -19.504 12.262 12.205 1.00 40.59 107 A 1 ATOM 835 C CB . MET A 0 107 . -17.726 11.974 10.388 1.00 40.59 107 A 1 ATOM 836 O O . MET A 0 107 . -19.050 13.382 12.422 1.00 40.59 107 A 1 ATOM 837 C CG . MET A 0 107 . -17.034 10.926 9.511 1.00 40.59 107 A 1 ATOM 838 S SD . MET A 0 107 . -15.343 11.347 8.999 1.00 40.59 107 A 1 ATOM 839 C CE . MET A 0 107 . -14.419 11.090 10.540 1.00 40.59 107 A 1 ATOM 840 N N . ARG A 0 108 . -20.451 11.731 12.987 1.00 40.54 108 A 1 ATOM 841 C CA . ARG A 0 108 . -20.726 12.275 14.319 1.00 40.54 108 A 1 ATOM 842 C C . ARG A 0 108 . -19.719 11.645 15.272 1.00 40.54 108 A 1 ATOM 843 C CB . ARG A 0 108 . -22.201 12.100 14.719 1.00 40.54 108 A 1 ATOM 844 O O . ARG A 0 108 . -19.821 10.479 15.635 1.00 40.54 108 A 1 ATOM 845 C CG . ARG A 0 108 . -22.701 13.330 15.498 1.00 40.54 108 A 1 ATOM 846 C CD . ARG A 0 108 . -24.182 13.180 15.867 1.00 40.54 108 A 1 ATOM 847 N NE . ARG A 0 108 . -24.751 14.439 16.392 1.00 40.54 108 A 1 ATOM 848 N NH1 . ARG A 0 108 . -26.842 13.627 16.883 1.00 40.54 108 A 1 ATOM 849 N NH2 . ARG A 0 108 . -26.398 15.789 17.210 1.00 40.54 108 A 1 ATOM 850 C CZ . ARG A 0 108 . -25.988 14.612 16.825 1.00 40.54 108 A 1 ATOM 851 N N . THR A 0 109 . -18.705 12.425 15.612 1.00 46.59 109 A 1 ATOM 852 C CA . THR A 0 109 . -17.746 12.175 16.683 1.00 46.59 109 A 1 ATOM 853 C C . THR A 0 109 . -18.485 11.861 17.986 1.00 46.59 109 A 1 ATOM 854 C CB . THR A 0 109 . -16.865 13.433 16.854 1.00 46.59 109 A 1 ATOM 855 O O . THR A 0 109 . -18.896 12.761 18.715 1.00 46.59 109 A 1 ATOM 856 C CG2 . THR A 0 109 . -15.718 13.460 15.846 1.00 46.59 109 A 1 ATOM 857 O OG1 . THR A 0 109 . -17.613 14.611 16.612 1.00 46.59 109 A 1 ATOM 858 N N . GLN A 0 110 . -18.662 10.580 18.311 1.00 43.48 110 A 1 ATOM 859 C CA . GLN A 0 110 . -18.927 10.191 19.692 1.00 43.48 110 A 1 ATOM 860 C C . GLN A 0 110 . -17.607 10.275 20.455 1.00 43.48 110 A 1 ATOM 861 C CB . GLN A 0 110 . -19.653 8.846 19.805 1.00 43.48 110 A 1 ATOM 862 O O . GLN A 0 110 . -16.755 9.393 20.421 1.00 43.48 110 A 1 ATOM 863 C CG . GLN A 0 110 . -21.164 9.039 19.571 1.00 43.48 110 A 1 ATOM 864 C CD . GLN A 0 110 . -21.981 7.783 19.850 1.00 43.48 110 A 1 ATOM 865 N NE2 . GLN A 0 110 . -23.293 7.872 19.865 1.00 43.48 110 A 1 ATOM 866 O OE1 . GLN A 0 110 . -21.473 6.699 20.056 1.00 43.48 110 A 1 ATOM 867 N N . SER A 0 111 . -17.441 11.452 21.052 1.00 42.82 111 A 1 ATOM 868 C CA . SER A 0 111 . -16.589 11.770 22.187 1.00 42.82 111 A 1 ATOM 869 C C . SER A 0 111 . -16.311 10.553 23.074 1.00 42.82 111 A 1 ATOM 870 C CB . SER A 0 111 . -17.367 12.829 22.980 1.00 42.82 111 A 1 ATOM 871 O O . SER A 0 111 . -17.218 10.024 23.712 1.00 42.82 111 A 1 ATOM 872 O OG . SER A 0 111 . -16.809 13.093 24.241 1.00 42.82 111 A 1 ATOM 873 N N . SER A 0 112 . -15.036 10.174 23.157 1.00 40.64 112 A 1 ATOM 874 C CA . SER A 0 112 . -14.478 9.293 24.183 1.00 40.64 112 A 1 ATOM 875 C C . SER A 0 112 . -14.738 9.894 25.567 1.00 40.64 112 A 1 ATOM 876 C CB . SER A 0 112 . -12.967 9.155 23.916 1.00 40.64 112 A 1 ATOM 877 O O . SER A 0 112 . -13.947 10.701 26.040 1.00 40.64 112 A 1 ATOM 878 O OG . SER A 0 112 . -12.255 8.715 25.052 1.00 40.64 112 A 1 ATOM 879 N N . ASN A 0 113 . -15.836 9.511 26.213 1.00 38.58 113 A 1 ATOM 880 C CA . ASN A 0 113 . -16.097 9.790 27.624 1.00 38.58 113 A 1 ATOM 881 C C . ASN A 0 113 . -16.701 8.548 28.286 1.00 38.58 113 A 1 ATOM 882 C CB . ASN A 0 113 . -16.985 11.048 27.782 1.00 38.58 113 A 1 ATOM 883 O O . ASN A 0 113 . -17.853 8.563 28.692 1.00 38.58 113 A 1 ATOM 884 C CG . ASN A 0 113 . -16.224 12.344 27.978 1.00 38.58 113 A 1 ATOM 885 N ND2 . ASN A 0 113 . -16.925 13.452 27.972 1.00 38.58 113 A 1 ATOM 886 O OD1 . ASN A 0 113 . -15.029 12.404 28.197 1.00 38.58 113 A 1 ATOM 887 N N . GLU A 0 114 . -15.927 7.469 28.407 1.00 38.42 114 A 1 ATOM 888 C CA . GLU A 0 114 . -16.253 6.419 29.383 1.00 38.42 114 A 1 ATOM 889 C C . GLU A 0 114 . -15.010 5.623 29.804 1.00 38.42 114 A 1 ATOM 890 C CB . GLU A 0 114 . -17.448 5.552 28.926 1.00 38.42 114 A 1 ATOM 891 O O . GLU A 0 114 . -14.933 4.408 29.693 1.00 38.42 114 A 1 ATOM 892 C CG . GLU A 0 114 . -18.367 5.265 30.130 1.00 38.42 114 A 1 ATOM 893 C CD . GLU A 0 114 . -19.734 4.677 29.749 1.00 38.42 114 A 1 ATOM 894 O OE1 . GLU A 0 114 . -20.496 4.374 30.695 1.00 38.42 114 A 1 ATOM 895 O OE2 . GLU A 0 114 . -20.021 4.547 28.537 1.00 38.42 114 A 1 ATOM 896 N N . VAL A 0 115 . -13.983 6.329 30.287 1.00 37.20 115 A 1 ATOM 897 C CA . VAL A 0 115 . -12.903 5.708 31.074 1.00 37.20 115 A 1 ATOM 898 C C . VAL A 0 115 . -12.689 6.525 32.343 1.00 37.20 115 A 1 ATOM 899 C CB . VAL A 0 115 . -11.595 5.461 30.284 1.00 37.20 115 A 1 ATOM 900 O O . VAL A 0 115 . -11.644 7.134 32.556 1.00 37.20 115 A 1 ATOM 901 C CG1 . VAL A 0 115 . -10.632 4.574 31.096 1.00 37.20 115 A 1 ATOM 902 C CG2 . VAL A 0 115 . -11.831 4.733 28.955 1.00 37.20 115 A 1 ATOM 903 N N . ARG A 0 116 . -13.711 6.581 33.202 1.00 34.60 116 A 1 ATOM 904 C CA . ARG A 0 116 . -13.528 6.832 34.636 1.00 34.60 116 A 1 ATOM 905 C C . ARG A 0 116 . -14.772 6.394 35.401 1.00 34.60 116 A 1 ATOM 906 C CB . ARG A 0 116 . -13.209 8.319 34.918 1.00 34.60 116 A 1 ATOM 907 O O . ARG A 0 116 . -15.864 6.834 35.080 1.00 34.60 116 A 1 ATOM 908 C CG . ARG A 0 116 . -12.467 8.484 36.254 1.00 34.60 116 A 1 ATOM 909 C CD . ARG A 0 116 . -11.946 9.920 36.442 1.00 34.60 116 A 1 ATOM 910 N NE . ARG A 0 116 . -10.511 9.941 36.799 1.00 34.60 116 A 1 ATOM 911 N NH1 . ARG A 0 116 . -10.370 12.152 37.401 1.00 34.60 116 A 1 ATOM 912 N NH2 . ARG A 0 116 . -8.551 10.864 37.503 1.00 34.60 116 A 1 ATOM 913 C CZ . ARG A 0 116 . -9.821 10.982 37.232 1.00 34.60 116 A 1 ATOM 914 N N . SER A 0 117 . -14.550 5.629 36.467 1.00 38.20 117 A 1 ATOM 915 C CA . SER A 0 117 . -15.504 5.326 37.544 1.00 38.20 117 A 1 ATOM 916 C C . SER A 0 117 . -16.271 4.002 37.466 1.00 38.20 117 A 1 ATOM 917 C CB . SER A 0 117 . -16.414 6.519 37.881 1.00 38.20 117 A 1 ATOM 918 O O . SER A 0 117 . -17.491 3.985 37.567 1.00 38.20 117 A 1 ATOM 919 O OG . SER A 0 117 . -16.937 6.332 39.175 1.00 38.20 117 A 1 ATOM 920 N N . VAL A 0 118 . -15.545 2.880 37.472 1.00 40.94 118 A 1 ATOM 921 C CA . VAL A 0 118 . -15.972 1.717 38.275 1.00 40.94 118 A 1 ATOM 922 C C . VAL A 0 118 . -14.762 1.164 39.036 1.00 40.94 118 A 1 ATOM 923 C CB . VAL A 0 118 . -16.741 0.624 37.491 1.00 40.94 118 A 1 ATOM 924 O O . VAL A 0 118 . -14.257 0.081 38.773 1.00 40.94 118 A 1 ATOM 925 C CG1 . VAL A 0 118 . -17.559 -0.216 38.485 1.00 40.94 118 A 1 ATOM 926 C CG2 . VAL A 0 118 . -17.728 1.155 36.446 1.00 40.94 118 A 1 ATOM 927 N N . ILE A 0 119 . -14.242 1.964 39.967 1.00 40.20 119 A 1 ATOM 928 C CA . ILE A 0 119 . -13.446 1.465 41.096 1.00 40.20 119 A 1 ATOM 929 C C . ILE A 0 119 . -14.088 2.056 42.350 1.00 40.20 119 A 1 ATOM 930 C CB . ILE A 0 119 . -11.927 1.778 41.012 1.00 40.20 119 A 1 ATOM 931 O O . ILE A 0 119 . -13.598 3.032 42.899 1.00 40.20 119 A 1 ATOM 932 C CG1 . ILE A 0 119 . -11.312 1.536 39.618 1.00 40.20 119 A 1 ATOM 933 C CG2 . ILE A 0 119 . -11.202 0.922 42.073 1.00 40.20 119 A 1 ATOM 934 C CD1 . ILE A 0 119 . -9.849 1.991 39.509 1.00 40.20 119 A 1 ATOM 935 N N . SER A 0 120 . -15.257 1.541 42.728 1.00 39.60 120 A 1 ATOM 936 C CA . SER A 0 120 . -15.759 1.603 44.106 1.00 39.60 120 A 1 ATOM 937 C C . SER A 0 120 . -17.002 0.721 44.217 1.00 39.60 120 A 1 ATOM 938 C CB . SER A 0 120 . -16.088 3.025 44.589 1.00 39.60 120 A 1 ATOM 939 O O . SER A 0 120 . -18.130 1.142 43.971 1.00 39.60 120 A 1 ATOM 940 O OG . SER A 0 120 . -16.158 2.972 45.998 1.00 39.60 120 A 1 ATOM 941 N N . SER A 0 121 . -16.783 -0.559 44.494 1.00 40.27 121 A 1 ATOM 942 C CA . SER A 0 121 . -17.819 -1.494 44.940 1.00 40.27 121 A 1 ATOM 943 C C . SER A 0 121 . -17.131 -2.524 45.830 1.00 40.27 121 A 1 ATOM 944 C CB . SER A 0 121 . -18.564 -2.177 43.780 1.00 40.27 121 A 1 ATOM 945 O O . SER A 0 121 . -16.876 -3.652 45.424 1.00 40.27 121 A 1 ATOM 946 O OG . SER A 0 121 . -18.902 -1.267 42.759 1.00 40.27 121 A 1 ATOM 947 N N . GLY A 0 122 . -16.727 -2.089 47.017 1.00 39.21 122 A 1 ATOM 948 C CA . GLY A 0 122 . -16.329 -2.963 48.113 1.00 39.21 122 A 1 ATOM 949 C C . GLY A 0 122 . -17.065 -2.468 49.359 1.00 39.21 122 A 1 ATOM 950 O O . GLY A 0 122 . -17.036 -1.256 49.569 1.00 39.21 122 A 1 ATOM 951 N N . PRO A 0 123 . -17.792 -3.342 50.072 1.00 53.16 123 A 1 ATOM 952 C CA . PRO A 0 123 . -18.720 -2.974 51.144 1.00 53.16 123 A 1 ATOM 953 C C . PRO A 0 123 . -18.041 -2.342 52.362 1.00 53.16 123 A 1 ATOM 954 C CB . PRO A 0 123 . -19.438 -4.276 51.518 1.00 53.16 123 A 1 ATOM 955 O O . PRO A 0 123 . -16.840 -2.616 52.586 1.00 53.16 123 A 1 ATOM 956 C CG . PRO A 0 123 . -18.398 -5.344 51.193 1.00 53.16 123 A 1 ATOM 957 C CD . PRO A 0 123 . -17.723 -4.786 49.946 1.00 53.16 123 A 1 ATOM 958 O OXT . PRO A 0 123 . -18.786 -1.635 53.074 1.00 53.16 123 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 67.25 # loop_ _atom_type.symbol C N O S #