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 ILE 0 3 TYR 0 4 ASN 0 5 PHE 0 6 ASN 0 7 VAL 0 8 MET 0 9 MET 0 10 LEU 0 11 ARG 0 12 LEU 0 13 PHE 0 14 PRO 0 15 ILE 0 16 LEU 0 17 LEU 0 18 LEU 0 19 VAL 0 20 ILE 0 21 PHE 0 22 THR 0 23 SER 0 24 THR 0 25 GLY 0 26 LEU 0 27 GLY 0 28 HIS 0 29 ARG 0 30 CYS 0 31 TYR 0 32 VAL 0 33 CYS 0 34 SER 0 35 LYS 0 36 CYS 0 37 GLN 0 38 ASP 0 39 PRO 0 40 PHE 0 41 ARG 0 42 VAL 0 43 LYS 0 44 ASP 0 45 THR 0 46 GLU 0 47 ILE 0 48 GLN 0 49 ASN 0 50 GLY 0 51 CYS 0 52 THR 0 53 PHE 0 54 CYS 0 55 SER 0 56 THR 0 57 ILE 0 58 ARG 0 59 THR 0 60 TYR 0 61 VAL 0 62 GLN 0 63 ASP 0 64 LYS 0 65 LEU 0 66 GLN 0 67 VAL 0 68 THR 0 69 SER 0 70 ARG 0 71 SER 0 72 CYS 0 73 VAL 0 74 PRO 0 75 VAL 0 76 CYS 0 77 VAL 0 78 GLU 0 79 ALA 0 80 ASP 0 81 ALA 0 82 ARG 0 83 ARG 0 84 SER 0 85 GLY 0 86 SER 0 87 GLY 0 88 ILE 0 89 VAL 0 90 THR 0 91 SER 0 92 CYS 0 93 CYS 0 94 GLN 0 95 ASP 0 96 ASP 0 97 LEU 0 98 CYS 0 99 ASN 0 100 SER 0 101 GLY 0 102 THR 0 103 GLN 0 104 THR 0 105 GLN 0 106 ILE 0 107 SER 0 108 MET 0 109 THR 0 110 LEU 0 111 ILE 0 112 LEU 0 113 SER 0 114 SER 0 115 LEU 0 116 PHE 0 117 SER 0 118 ILE 0 119 LEU 0 120 PRO 0 121 LEU 0 122 LEU 0 123 SER 0 124 ARG 0 125 TYR 0 126 PHE # 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 . 10.894 -14.941 50.924 1.00 39.79 1 A 1 ATOM 2 C CA . MET A 0 1 . 9.444 -14.663 50.955 1.00 39.79 1 A 1 ATOM 3 C C . MET A 0 1 . 8.864 -15.262 49.683 1.00 39.79 1 A 1 ATOM 4 C CB . MET A 0 1 . 9.222 -13.143 51.079 1.00 39.79 1 A 1 ATOM 5 O O . MET A 0 1 . 9.218 -14.811 48.605 1.00 39.79 1 A 1 ATOM 6 C CG . MET A 0 1 . 7.889 -12.771 51.727 1.00 39.79 1 A 1 ATOM 7 S SD . MET A 0 1 . 7.827 -11.039 52.263 1.00 39.79 1 A 1 ATOM 8 C CE . MET A 0 1 . 7.582 -10.187 50.679 1.00 39.79 1 A 1 ATOM 9 N N . ILE A 0 2 . 8.145 -16.381 49.786 1.00 53.83 2 A 1 ATOM 10 C CA . ILE A 0 2 . 7.611 -17.104 48.622 1.00 53.83 2 A 1 ATOM 11 C C . ILE A 0 2 . 6.438 -16.272 48.101 1.00 53.83 2 A 1 ATOM 12 C CB . ILE A 0 2 . 7.212 -18.549 49.027 1.00 53.83 2 A 1 ATOM 13 O O . ILE A 0 2 . 5.439 -16.122 48.803 1.00 53.83 2 A 1 ATOM 14 C CG1 . ILE A 0 2 . 8.465 -19.341 49.479 1.00 53.83 2 A 1 ATOM 15 C CG2 . ILE A 0 2 . 6.501 -19.287 47.877 1.00 53.83 2 A 1 ATOM 16 C CD1 . ILE A 0 2 . 8.145 -20.637 50.234 1.00 53.83 2 A 1 ATOM 17 N N . TYR A 0 3 . 6.588 -15.666 46.921 1.00 60.74 3 A 1 ATOM 18 C CA . TYR A 0 3 . 5.497 -14.972 46.247 1.00 60.74 3 A 1 ATOM 19 C C . TYR A 0 3 . 4.397 -16.001 45.964 1.00 60.74 3 A 1 ATOM 20 C CB . TYR A 0 3 . 5.998 -14.289 44.960 1.00 60.74 3 A 1 ATOM 21 O O . TYR A 0 3 . 4.485 -16.782 45.019 1.00 60.74 3 A 1 ATOM 22 C CG . TYR A 0 3 . 6.835 -13.036 45.179 1.00 60.74 3 A 1 ATOM 23 C CD1 . TYR A 0 3 . 6.203 -11.784 45.325 1.00 60.74 3 A 1 ATOM 24 C CD2 . TYR A 0 3 . 8.245 -13.105 45.195 1.00 60.74 3 A 1 ATOM 25 C CE1 . TYR A 0 3 . 6.975 -10.615 45.491 1.00 60.74 3 A 1 ATOM 26 C CE2 . TYR A 0 3 . 9.018 -11.934 45.348 1.00 60.74 3 A 1 ATOM 27 O OH . TYR A 0 3 . 9.114 -9.537 45.634 1.00 60.74 3 A 1 ATOM 28 C CZ . TYR A 0 3 . 8.386 -10.680 45.495 1.00 60.74 3 A 1 ATOM 29 N N . ASN A 0 4 . 3.366 -16.022 46.809 1.00 55.89 4 A 1 ATOM 30 C CA . ASN A 0 4 . 2.106 -16.692 46.519 1.00 55.89 4 A 1 ATOM 31 C C . ASN A 0 4 . 1.442 -15.906 45.387 1.00 55.89 4 A 1 ATOM 32 C CB . ASN A 0 4 . 1.237 -16.780 47.786 1.00 55.89 4 A 1 ATOM 33 O O . ASN A 0 4 . 0.610 -15.028 45.614 1.00 55.89 4 A 1 ATOM 34 C CG . ASN A 0 4 . 1.729 -17.848 48.739 1.00 55.89 4 A 1 ATOM 35 N ND2 . ASN A 0 4 . 2.308 -17.479 49.858 1.00 55.89 4 A 1 ATOM 36 O OD1 . ASN A 0 4 . 1.613 -19.031 48.486 1.00 55.89 4 A 1 ATOM 37 N N . PHE A 0 5 . 1.892 -16.159 44.160 1.00 58.63 5 A 1 ATOM 38 C CA . PHE A 0 5 . 1.289 -15.614 42.959 1.00 58.63 5 A 1 ATOM 39 C C . PHE A 0 5 . -0.121 -16.199 42.881 1.00 58.63 5 A 1 ATOM 40 C CB . PHE A 0 5 . 2.170 -15.933 41.745 1.00 58.63 5 A 1 ATOM 41 O O . PHE A 0 5 . -0.314 -17.361 42.528 1.00 58.63 5 A 1 ATOM 42 C CG . PHE A 0 5 . 1.872 -15.060 40.542 1.00 58.63 5 A 1 ATOM 43 C CD1 . PHE A 0 5 . 0.989 -15.498 39.538 1.00 58.63 5 A 1 ATOM 44 C CD2 . PHE A 0 5 . 2.490 -13.800 40.429 1.00 58.63 5 A 1 ATOM 45 C CE1 . PHE A 0 5 . 0.734 -14.682 38.420 1.00 58.63 5 A 1 ATOM 46 C CE2 . PHE A 0 5 . 2.233 -12.984 39.314 1.00 58.63 5 A 1 ATOM 47 C CZ . PHE A 0 5 . 1.357 -13.426 38.307 1.00 58.63 5 A 1 ATOM 48 N N . ASN A 0 6 . -1.095 -15.418 43.349 1.00 59.88 6 A 1 ATOM 49 C CA . ASN A 0 6 . -2.480 -15.833 43.487 1.00 59.88 6 A 1 ATOM 50 C C . ASN A 0 6 . -2.976 -16.406 42.158 1.00 59.88 6 A 1 ATOM 51 C CB . ASN A 0 6 . -3.327 -14.635 43.955 1.00 59.88 6 A 1 ATOM 52 O O . ASN A 0 6 . -3.156 -15.683 41.178 1.00 59.88 6 A 1 ATOM 53 C CG . ASN A 0 6 . -3.215 -14.419 45.451 1.00 59.88 6 A 1 ATOM 54 N ND2 . ASN A 0 6 . -2.635 -13.332 45.900 1.00 59.88 6 A 1 ATOM 55 O OD1 . ASN A 0 6 . -3.654 -15.242 46.230 1.00 59.88 6 A 1 ATOM 56 N N . VAL A 0 7 . -3.245 -17.712 42.152 1.00 62.38 7 A 1 ATOM 57 C CA . VAL A 0 7 . -3.774 -18.484 41.015 1.00 62.38 7 A 1 ATOM 58 C C . VAL A 0 7 . -5.051 -17.842 40.441 1.00 62.38 7 A 1 ATOM 59 C CB . VAL A 0 7 . -4.047 -19.942 41.460 1.00 62.38 7 A 1 ATOM 60 O O . VAL A 0 7 . -5.383 -18.031 39.274 1.00 62.38 7 A 1 ATOM 61 C CG1 . VAL A 0 7 . -4.151 -20.884 40.256 1.00 62.38 7 A 1 ATOM 62 C CG2 . VAL A 0 7 . -2.955 -20.507 42.387 1.00 62.38 7 A 1 ATOM 63 N N . MET A 0 8 . -5.742 -17.018 41.236 1.00 57.48 8 A 1 ATOM 64 C CA . MET A 0 8 . -6.896 -16.223 40.818 1.00 57.48 8 A 1 ATOM 65 C C . MET A 0 8 . -6.569 -15.192 39.724 1.00 57.48 8 A 1 ATOM 66 C CB . MET A 0 8 . -7.505 -15.557 42.061 1.00 57.48 8 A 1 ATOM 67 O O . MET A 0 8 . -7.356 -15.051 38.793 1.00 57.48 8 A 1 ATOM 68 C CG . MET A 0 8 . -8.919 -15.042 41.782 1.00 57.48 8 A 1 ATOM 69 S SD . MET A 0 8 . -9.880 -14.686 43.277 1.00 57.48 8 A 1 ATOM 70 C CE . MET A 0 8 . -9.358 -12.987 43.630 1.00 57.48 8 A 1 ATOM 71 N N . MET A 0 9 . -5.403 -14.534 39.767 1.00 60.60 9 A 1 ATOM 72 C CA . MET A 0 9 . -4.979 -13.621 38.691 1.00 60.60 9 A 1 ATOM 73 C C . MET A 0 9 . -4.614 -14.383 37.412 1.00 60.60 9 A 1 ATOM 74 C CB . MET A 0 9 . -3.796 -12.753 39.143 1.00 60.60 9 A 1 ATOM 75 O O . MET A 0 9 . -4.910 -13.917 36.312 1.00 60.60 9 A 1 ATOM 76 C CG . MET A 0 9 . -4.219 -11.637 40.109 1.00 60.60 9 A 1 ATOM 77 S SD . MET A 0 9 . -3.850 -9.959 39.522 1.00 60.60 9 A 1 ATOM 78 C CE . MET A 0 9 . -2.036 -9.963 39.587 1.00 60.60 9 A 1 ATOM 79 N N . LEU A 0 10 . -4.053 -15.592 37.542 1.00 60.71 10 A 1 ATOM 80 C CA . LEU A 0 10 . -3.702 -16.436 36.396 1.00 60.71 10 A 1 ATOM 81 C C . LEU A 0 10 . -4.943 -16.868 35.594 1.00 60.71 10 A 1 ATOM 82 C CB . LEU A 0 10 . -2.893 -17.648 36.898 1.00 60.71 10 A 1 ATOM 83 O O . LEU A 0 10 . -4.858 -17.022 34.380 1.00 60.71 10 A 1 ATOM 84 C CG . LEU A 0 10 . -2.175 -18.432 35.781 1.00 60.71 10 A 1 ATOM 85 C CD1 . LEU A 0 10 . -1.004 -17.640 35.193 1.00 60.71 10 A 1 ATOM 86 C CD2 . LEU A 0 10 . -1.628 -19.743 36.345 1.00 60.71 10 A 1 ATOM 87 N N . ARG A 0 11 . -6.110 -17.006 36.243 1.00 67.33 11 A 1 ATOM 88 C CA . ARG A 0 11 . -7.380 -17.338 35.566 1.00 67.33 11 A 1 ATOM 89 C C . ARG A 0 11 . -7.941 -16.198 34.714 1.00 67.33 11 A 1 ATOM 90 C CB . ARG A 0 11 . -8.436 -17.790 36.585 1.00 67.33 11 A 1 ATOM 91 O O . ARG A 0 11 . -8.671 -16.471 33.767 1.00 67.33 11 A 1 ATOM 92 C CG . ARG A 0 11 . -8.088 -19.143 37.217 1.00 67.33 11 A 1 ATOM 93 C CD . ARG A 0 11 . -9.245 -19.626 38.096 1.00 67.33 11 A 1 ATOM 94 N NE . ARG A 0 11 . -8.931 -20.917 38.738 1.00 67.33 11 A 1 ATOM 95 N NH1 . ARG A 0 11 . -11.050 -21.410 39.477 1.00 67.33 11 A 1 ATOM 96 N NH2 . ARG A 0 11 . -9.378 -22.820 39.907 1.00 67.33 11 A 1 ATOM 97 C CZ . ARG A 0 11 . -9.785 -21.706 39.367 1.00 67.33 11 A 1 ATOM 98 N N . LEU A 0 12 . -7.604 -14.945 35.020 1.00 67.76 12 A 1 ATOM 99 C CA . LEU A 0 12 . -8.095 -13.785 34.267 1.00 67.76 12 A 1 ATOM 100 C C . LEU A 0 12 . -7.264 -13.505 33.011 1.00 67.76 12 A 1 ATOM 101 C CB . LEU A 0 12 . -8.138 -12.556 35.189 1.00 67.76 12 A 1 ATOM 102 O O . LEU A 0 12 . -7.786 -12.965 32.040 1.00 67.76 12 A 1 ATOM 103 C CG . LEU A 0 12 . -9.101 -12.685 36.384 1.00 67.76 12 A 1 ATOM 104 C CD1 . LEU A 0 12 . -9.016 -11.424 37.241 1.00 67.76 12 A 1 ATOM 105 C CD2 . LEU A 0 12 . -10.555 -12.879 35.948 1.00 67.76 12 A 1 ATOM 106 N N . PHE A 0 13 . -5.994 -13.913 32.998 1.00 69.36 13 A 1 ATOM 107 C CA . PHE A 0 13 . -5.090 -13.716 31.865 1.00 69.36 13 A 1 ATOM 108 C C . PHE A 0 13 . -5.585 -14.332 30.537 1.00 69.36 13 A 1 ATOM 109 C CB . PHE A 0 13 . -3.691 -14.210 32.253 1.00 69.36 13 A 1 ATOM 110 O O . PHE A 0 13 . -5.584 -13.619 29.534 1.00 69.36 13 A 1 ATOM 111 C CG . PHE A 0 13 . -2.593 -13.568 31.435 1.00 69.36 13 A 1 ATOM 112 C CD1 . PHE A 0 13 . -2.008 -14.247 30.350 1.00 69.36 13 A 1 ATOM 113 C CD2 . PHE A 0 13 . -2.157 -12.271 31.767 1.00 69.36 13 A 1 ATOM 114 C CE1 . PHE A 0 13 . -0.982 -13.632 29.610 1.00 69.36 13 A 1 ATOM 115 C CE2 . PHE A 0 13 . -1.141 -11.654 31.018 1.00 69.36 13 A 1 ATOM 116 C CZ . PHE A 0 13 . -0.554 -12.335 29.938 1.00 69.36 13 A 1 ATOM 117 N N . PRO A 0 14 . -6.072 -15.593 30.483 1.00 67.92 14 A 1 ATOM 118 C CA . PRO A 0 14 . -6.620 -16.152 29.246 1.00 67.92 14 A 1 ATOM 119 C C . PRO A 0 14 . -7.917 -15.461 28.806 1.00 67.92 14 A 1 ATOM 120 C CB . PRO A 0 14 . -6.827 -17.646 29.516 1.00 67.92 14 A 1 ATOM 121 O O . PRO A 0 14 . -8.145 -15.324 27.609 1.00 67.92 14 A 1 ATOM 122 C CG . PRO A 0 14 . -6.980 -17.727 31.031 1.00 67.92 14 A 1 ATOM 123 C CD . PRO A 0 14 . -6.066 -16.613 31.524 1.00 67.92 14 A 1 ATOM 124 N N . ILE A 0 15 . -8.742 -14.980 29.745 1.00 70.46 15 A 1 ATOM 125 C CA . ILE A 0 15 . -9.967 -14.231 29.424 1.00 70.46 15 A 1 ATOM 126 C C . ILE A 0 15 . -9.602 -12.883 28.790 1.00 70.46 15 A 1 ATOM 127 C CB . ILE A 0 15 . -10.865 -14.061 30.674 1.00 70.46 15 A 1 ATOM 128 O O . ILE A 0 15 . -10.159 -12.524 27.756 1.00 70.46 15 A 1 ATOM 129 C CG1 . ILE A 0 15 . -11.265 -15.443 31.247 1.00 70.46 15 A 1 ATOM 130 C CG2 . ILE A 0 15 . -12.120 -13.233 30.332 1.00 70.46 15 A 1 ATOM 131 C CD1 . ILE A 0 15 . -12.036 -15.377 32.572 1.00 70.46 15 A 1 ATOM 132 N N . LEU A 0 16 . -8.625 -12.169 29.358 1.00 72.58 16 A 1 ATOM 133 C CA . LEU A 0 16 . -8.121 -10.915 28.797 1.00 72.58 16 A 1 ATOM 134 C C . LEU A 0 16 . -7.514 -11.125 27.400 1.00 72.58 16 A 1 ATOM 135 C CB . LEU A 0 16 . -7.110 -10.304 29.786 1.00 72.58 16 A 1 ATOM 136 O O . LEU A 0 16 . -7.808 -10.354 26.492 1.00 72.58 16 A 1 ATOM 137 C CG . LEU A 0 16 . -6.619 -8.897 29.395 1.00 72.58 16 A 1 ATOM 138 C CD1 . LEU A 0 16 . -7.735 -7.853 29.485 1.00 72.58 16 A 1 ATOM 139 C CD2 . LEU A 0 16 . -5.490 -8.471 30.334 1.00 72.58 16 A 1 ATOM 140 N N . LEU A 0 17 . -6.733 -12.195 27.202 1.00 69.34 17 A 1 ATOM 141 C CA . LEU A 0 17 . -6.191 -12.568 25.888 1.00 69.34 17 A 1 ATOM 142 C C . LEU A 0 17 . -7.292 -12.866 24.858 1.00 69.34 17 A 1 ATOM 143 C CB . LEU A 0 17 . -5.258 -13.783 26.040 1.00 69.34 17 A 1 ATOM 144 O O . LEU A 0 17 . -7.167 -12.448 23.710 1.00 69.34 17 A 1 ATOM 145 C CG . LEU A 0 17 . -3.838 -13.438 26.521 1.00 69.34 17 A 1 ATOM 146 C CD1 . LEU A 0 17 . -3.135 -14.723 26.960 1.00 69.34 17 A 1 ATOM 147 C CD2 . LEU A 0 17 . -3.002 -12.806 25.403 1.00 69.34 17 A 1 ATOM 148 N N . LEU A 0 18 . -8.376 -13.542 25.255 1.00 66.94 18 A 1 ATOM 149 C CA . LEU A 0 18 . -9.491 -13.862 24.358 1.00 66.94 18 A 1 ATOM 150 C C . LEU A 0 18 . -10.228 -12.599 23.876 1.00 66.94 18 A 1 ATOM 151 C CB . LEU A 0 18 . -10.449 -14.830 25.079 1.00 66.94 18 A 1 ATOM 152 O O . LEU A 0 18 . -10.598 -12.519 22.707 1.00 66.94 18 A 1 ATOM 153 C CG . LEU A 0 18 . -11.351 -15.622 24.114 1.00 66.94 18 A 1 ATOM 154 C CD1 . LEU A 0 18 . -10.607 -16.826 23.527 1.00 66.94 18 A 1 ATOM 155 C CD2 . LEU A 0 18 . -12.585 -16.143 24.851 1.00 66.94 18 A 1 ATOM 156 N N . VAL A 0 19 . -10.396 -11.597 24.750 1.00 67.18 19 A 1 ATOM 157 C CA . VAL A 0 19 . -11.047 -10.313 24.413 1.00 67.18 19 A 1 ATOM 158 C C . VAL A 0 19 . -10.204 -9.485 23.435 1.00 67.18 19 A 1 ATOM 159 C CB . VAL A 0 19 . -11.368 -9.510 25.693 1.00 67.18 19 A 1 ATOM 160 O O . VAL A 0 19 . -10.756 -8.778 22.598 1.00 67.18 19 A 1 ATOM 161 C CG1 . VAL A 0 19 . -11.961 -8.124 25.406 1.00 67.18 19 A 1 ATOM 162 C CG2 . VAL A 0 19 . -12.398 -10.248 26.562 1.00 67.18 19 A 1 ATOM 163 N N . ILE A 0 20 . -8.873 -9.601 23.481 1.00 66.96 20 A 1 ATOM 164 C CA . ILE A 0 20 . -7.983 -8.888 22.546 1.00 66.96 20 A 1 ATOM 165 C C . ILE A 0 20 . -8.104 -9.448 21.116 1.00 66.96 20 A 1 ATOM 166 C CB . ILE A 0 20 . -6.528 -8.911 23.076 1.00 66.96 20 A 1 ATOM 167 O O . ILE A 0 20 . -7.913 -8.712 20.152 1.00 66.96 20 A 1 ATOM 168 C CG1 . ILE A 0 20 . -6.420 -8.153 24.421 1.00 66.96 20 A 1 ATOM 169 C CG2 . ILE A 0 20 . -5.551 -8.270 22.071 1.00 66.96 20 A 1 ATOM 170 C CD1 . ILE A 0 20 . -5.140 -8.465 25.208 1.00 66.96 20 A 1 ATOM 171 N N . PHE A 0 21 . -8.456 -10.728 20.958 1.00 60.06 21 A 1 ATOM 172 C CA . PHE A 0 21 . -8.521 -11.383 19.646 1.00 60.06 21 A 1 ATOM 173 C C . PHE A 0 21 . -9.836 -11.184 18.887 1.00 60.06 21 A 1 ATOM 174 C CB . PHE A 0 21 . -8.158 -12.867 19.783 1.00 60.06 21 A 1 ATOM 175 O O . PHE A 0 21 . -9.913 -11.554 17.713 1.00 60.06 21 A 1 ATOM 176 C CG . PHE A 0 21 . -6.697 -13.126 19.482 1.00 60.06 21 A 1 ATOM 177 C CD1 . PHE A 0 21 . -6.292 -13.400 18.162 1.00 60.06 21 A 1 ATOM 178 C CD2 . PHE A 0 21 . -5.738 -13.048 20.506 1.00 60.06 21 A 1 ATOM 179 C CE1 . PHE A 0 21 . -4.933 -13.615 17.872 1.00 60.06 21 A 1 ATOM 180 C CE2 . PHE A 0 21 . -4.379 -13.262 20.218 1.00 60.06 21 A 1 ATOM 181 C CZ . PHE A 0 21 . -3.976 -13.548 18.901 1.00 60.06 21 A 1 ATOM 182 N N . THR A 0 22 . -10.864 -10.579 19.491 1.00 56.68 22 A 1 ATOM 183 C CA . THR A 0 22 . -12.081 -10.224 18.753 1.00 56.68 22 A 1 ATOM 184 C C . THR A 0 22 . -11.836 -8.956 17.937 1.00 56.68 22 A 1 ATOM 185 C CB . THR A 0 22 . -13.326 -10.123 19.647 1.00 56.68 22 A 1 ATOM 186 O O . THR A 0 22 . -12.284 -7.871 18.302 1.00 56.68 22 A 1 ATOM 187 C CG2 . THR A 0 22 . -13.632 -11.445 20.352 1.00 56.68 22 A 1 ATOM 188 O OG1 . THR A 0 22 . -13.182 -9.142 20.640 1.00 56.68 22 A 1 ATOM 189 N N . SER A 0 23 . -11.110 -9.094 16.826 1.00 59.58 23 A 1 ATOM 190 C CA . SER A 0 23 . -11.143 -8.123 15.732 1.00 59.58 23 A 1 ATOM 191 C C . SER A 0 23 . -12.585 -8.067 15.231 1.00 59.58 23 A 1 ATOM 192 C CB . SER A 0 23 . -10.172 -8.538 14.624 1.00 59.58 23 A 1 ATOM 193 O O . SER A 0 23 . -13.085 -8.996 14.592 1.00 59.58 23 A 1 ATOM 194 O OG . SER A 0 23 . -10.300 -7.673 13.517 1.00 59.58 23 A 1 ATOM 195 N N . THR A 0 24 . -13.317 -7.040 15.653 1.00 57.39 24 A 1 ATOM 196 C CA . THR A 0 24 . -14.701 -6.824 15.250 1.00 57.39 24 A 1 ATOM 197 C C . THR A 0 24 . -14.712 -6.560 13.747 1.00 57.39 24 A 1 ATOM 198 C CB . THR A 0 24 . -15.336 -5.677 16.057 1.00 57.39 24 A 1 ATOM 199 O O . THR A 0 24 . -13.999 -5.687 13.266 1.00 57.39 24 A 1 ATOM 200 C CG2 . THR A 0 24 . -15.626 -6.107 17.496 1.00 57.39 24 A 1 ATOM 201 O OG1 . THR A 0 24 . -14.476 -4.565 16.151 1.00 57.39 24 A 1 ATOM 202 N N . GLY A 0 25 . -15.506 -7.333 12.997 1.00 59.97 25 A 1 ATOM 203 C CA . GLY A 0 25 . -15.617 -7.301 11.529 1.00 59.97 25 A 1 ATOM 204 C C . GLY A 0 25 . -16.215 -6.018 10.934 1.00 59.97 25 A 1 ATOM 205 O O . GLY A 0 25 . -16.927 -6.065 9.934 1.00 59.97 25 A 1 ATOM 206 N N . LEU A 0 26 . -15.960 -4.871 11.553 1.00 70.11 26 A 1 ATOM 207 C CA . LEU A 0 26 . -16.192 -3.550 11.000 1.00 70.11 26 A 1 ATOM 208 C C . LEU A 0 26 . -14.955 -3.239 10.154 1.00 70.11 26 A 1 ATOM 209 C CB . LEU A 0 26 . -16.374 -2.568 12.173 1.00 70.11 26 A 1 ATOM 210 O O . LEU A 0 26 . -13.857 -3.160 10.694 1.00 70.11 26 A 1 ATOM 211 C CG . LEU A 0 26 . -17.615 -2.855 13.043 1.00 70.11 26 A 1 ATOM 212 C CD1 . LEU A 0 26 . -17.495 -2.148 14.392 1.00 70.11 26 A 1 ATOM 213 C CD2 . LEU A 0 26 . -18.900 -2.382 12.360 1.00 70.11 26 A 1 ATOM 214 N N . GLY A 0 27 . -15.104 -3.142 8.831 1.00 81.72 27 A 1 ATOM 215 C CA . GLY A 0 27 . -13.961 -2.913 7.942 1.00 81.72 27 A 1 ATOM 216 C C . GLY A 0 27 . -13.085 -1.731 8.386 1.00 81.72 27 A 1 ATOM 217 O O . GLY A 0 27 . -13.557 -0.774 9.004 1.00 81.72 27 A 1 ATOM 218 N N . HIS A 0 28 . -11.802 -1.805 8.054 1.00 89.47 28 A 1 ATOM 219 C CA . HIS A 0 28 . -10.768 -0.871 8.488 1.00 89.47 28 A 1 ATOM 220 C C . HIS A 0 28 . -11.005 0.541 7.948 1.00 89.47 28 A 1 ATOM 221 C CB . HIS A 0 28 . -9.397 -1.407 8.049 1.00 89.47 28 A 1 ATOM 222 O O . HIS A 0 28 . -11.711 0.742 6.953 1.00 89.47 28 A 1 ATOM 223 C CG . HIS A 0 28 . -9.177 -2.835 8.479 1.00 89.47 28 A 1 ATOM 224 C CD2 . HIS A 0 28 . -9.289 -3.945 7.686 1.00 89.47 28 A 1 ATOM 225 N ND1 . HIS A 0 28 . -8.946 -3.274 9.762 1.00 89.47 28 A 1 ATOM 226 C CE1 . HIS A 0 28 . -8.906 -4.617 9.739 1.00 89.47 28 A 1 ATOM 227 N NE2 . HIS A 0 28 . -9.136 -5.071 8.496 1.00 89.47 28 A 1 ATOM 228 N N . ARG A 0 29 . -10.397 1.541 8.588 1.00 94.32 29 A 1 ATOM 229 C CA . ARG A 0 29 . -10.353 2.891 8.029 1.00 94.32 29 A 1 ATOM 230 C C . ARG A 0 29 . -9.148 3.022 7.114 1.00 94.32 29 A 1 ATOM 231 C CB . ARG A 0 29 . -10.351 3.952 9.127 1.00 94.32 29 A 1 ATOM 232 O O . ARG A 0 29 . -8.062 2.586 7.475 1.00 94.32 29 A 1 ATOM 233 C CG . ARG A 0 29 . -11.478 3.727 10.145 1.00 94.32 29 A 1 ATOM 234 C CD . ARG A 0 29 . -11.511 4.854 11.177 1.00 94.32 29 A 1 ATOM 235 N NE . ARG A 0 29 . -10.330 4.770 12.055 1.00 94.32 29 A 1 ATOM 236 N NH1 . ARG A 0 29 . -10.692 6.660 13.281 1.00 94.32 29 A 1 ATOM 237 N NH2 . ARG A 0 29 . -8.923 5.390 13.727 1.00 94.32 29 A 1 ATOM 238 C CZ . ARG A 0 29 . -9.983 5.597 13.013 1.00 94.32 29 A 1 ATOM 239 N N . CYS A 0 30 . -9.307 3.663 5.967 1.00 96.79 30 A 1 ATOM 240 C CA . CYS A 0 30 . -8.216 3.911 5.029 1.00 96.79 30 A 1 ATOM 241 C C . CYS A 0 30 . -8.149 5.388 4.671 1.00 96.79 30 A 1 ATOM 242 C CB . CYS A 0 30 . -8.413 3.068 3.767 1.00 96.79 30 A 1 ATOM 243 O O . CYS A 0 30 . -9.183 6.039 4.516 1.00 96.79 30 A 1 ATOM 244 S SG . CYS A 0 30 . -8.503 1.289 4.056 1.00 96.79 30 A 1 ATOM 245 N N . TYR A 0 31 . -6.940 5.901 4.456 1.00 97.20 31 A 1 ATOM 246 C CA . TYR A 0 31 . -6.780 7.186 3.784 1.00 97.20 31 A 1 ATOM 247 C C . TYR A 0 31 . -7.151 7.046 2.309 1.00 97.20 31 A 1 ATOM 248 C CB . TYR A 0 31 . -5.354 7.706 3.949 1.00 97.20 31 A 1 ATOM 249 O O . TYR A 0 31 . -6.757 6.074 1.657 1.00 97.20 31 A 1 ATOM 250 C CG . TYR A 0 31 . -4.994 7.980 5.391 1.00 97.20 31 A 1 ATOM 251 C CD1 . TYR A 0 31 . -5.571 9.078 6.058 1.00 97.20 31 A 1 ATOM 252 C CD2 . TYR A 0 31 . -4.110 7.126 6.073 1.00 97.20 31 A 1 ATOM 253 C CE1 . TYR A 0 31 . -5.244 9.333 7.402 1.00 97.20 31 A 1 ATOM 254 C CE2 . TYR A 0 31 . -3.807 7.370 7.420 1.00 97.20 31 A 1 ATOM 255 O OH . TYR A 0 31 . -4.024 8.738 9.378 1.00 97.20 31 A 1 ATOM 256 C CZ . TYR A 0 31 . -4.350 8.487 8.083 1.00 97.20 31 A 1 ATOM 257 N N . VAL A 0 32 . -7.875 8.024 1.777 1.00 96.81 32 A 1 ATOM 258 C CA . VAL A 0 32 . -8.310 8.083 0.383 1.00 96.81 32 A 1 ATOM 259 C C . VAL A 0 32 . -7.928 9.438 -0.194 1.00 96.81 32 A 1 ATOM 260 C CB . VAL A 0 32 . -9.816 7.796 0.239 1.00 96.81 32 A 1 ATOM 261 O O . VAL A 0 32 . -8.219 10.488 0.377 1.00 96.81 32 A 1 ATOM 262 C CG1 . VAL A 0 32 . -10.231 7.785 -1.239 1.00 96.81 32 A 1 ATOM 263 C CG2 . VAL A 0 32 . -10.161 6.424 0.835 1.00 96.81 32 A 1 ATOM 264 N N . CYS A 0 33 . -7.214 9.408 -1.316 1.00 95.83 33 A 1 ATOM 265 C CA . CYS A 0 33 . -6.814 10.602 -2.051 1.00 95.83 33 A 1 ATOM 266 C C . CYS A 0 33 . -6.341 10.233 -3.457 1.00 95.83 33 A 1 ATOM 267 C CB . CYS A 0 33 . -5.722 11.380 -1.291 1.00 95.83 33 A 1 ATOM 268 O O . CYS A 0 33 . -5.691 9.206 -3.676 1.00 95.83 33 A 1 ATOM 269 S SG . CYS A 0 33 . -4.392 10.386 -0.556 1.00 95.83 33 A 1 ATOM 270 N N . SER A 0 34 . -6.627 11.122 -4.407 1.00 92.80 34 A 1 ATOM 271 C CA . SER A 0 34 . -6.048 11.093 -5.750 1.00 92.80 34 A 1 ATOM 272 C C . SER A 0 34 . -4.847 12.033 -5.784 1.00 92.80 34 A 1 ATOM 273 C CB . SER A 0 34 . -7.090 11.530 -6.782 1.00 92.80 34 A 1 ATOM 274 O O . SER A 0 34 . -4.991 13.197 -5.422 1.00 92.80 34 A 1 ATOM 275 O OG . SER A 0 34 . -8.141 10.589 -6.840 1.00 92.80 34 A 1 ATOM 276 N N . LYS A 0 35 . -3.674 11.558 -6.224 1.00 93.41 35 A 1 ATOM 277 C CA . LYS A 0 35 . -2.434 12.367 -6.267 1.00 93.41 35 A 1 ATOM 278 C C . LYS A 0 35 . -2.050 12.966 -4.903 1.00 93.41 35 A 1 ATOM 279 C CB . LYS A 0 35 . -2.507 13.451 -7.358 1.00 93.41 35 A 1 ATOM 280 O O . LYS A 0 35 . -1.771 14.155 -4.778 1.00 93.41 35 A 1 ATOM 281 C CG . LYS A 0 35 . -2.888 12.937 -8.751 1.00 93.41 35 A 1 ATOM 282 C CD . LYS A 0 35 . -2.936 14.113 -9.729 1.00 93.41 35 A 1 ATOM 283 C CE . LYS A 0 35 . -3.300 13.612 -11.129 1.00 93.41 35 A 1 ATOM 284 N NZ . LYS A 0 35 . -3.390 14.737 -12.092 1.00 93.41 35 A 1 ATOM 285 N N . CYS A 0 36 . -2.040 12.122 -3.879 1.00 91.55 36 A 1 ATOM 286 C CA . CYS A 0 36 . -1.606 12.473 -2.534 1.00 91.55 36 A 1 ATOM 287 C C . CYS A 0 36 . -0.167 13.011 -2.544 1.00 91.55 36 A 1 ATOM 288 C CB . CYS A 0 36 . -1.656 11.220 -1.653 1.00 91.55 36 A 1 ATOM 289 O O . CYS A 0 36 . 0.676 12.516 -3.297 1.00 91.55 36 A 1 ATOM 290 S SG . CYS A 0 36 . -3.001 10.044 -1.969 1.00 91.55 36 A 1 ATOM 291 N N . GLN A 0 37 . 0.133 13.955 -1.651 1.00 88.91 37 A 1 ATOM 292 C CA . GLN A 0 37 . 1.511 14.391 -1.421 1.00 88.91 37 A 1 ATOM 293 C C . GLN A 0 37 . 2.375 13.233 -0.897 1.00 88.91 37 A 1 ATOM 294 C CB . GLN A 0 37 . 1.546 15.595 -0.462 1.00 88.91 37 A 1 ATOM 295 O O . GLN A 0 37 . 1.899 12.366 -0.156 1.00 88.91 37 A 1 ATOM 296 C CG . GLN A 0 37 . 1.080 16.886 -1.156 1.00 88.91 37 A 1 ATOM 297 C CD . GLN A 0 37 . 0.905 18.052 -0.183 1.00 88.91 37 A 1 ATOM 298 N NE2 . GLN A 0 37 . -0.157 18.806 -0.342 1.00 88.91 37 A 1 ATOM 299 O OE1 . GLN A 0 37 . 1.698 18.290 0.723 1.00 88.91 37 A 1 ATOM 300 N N . ASP A 0 38 . 3.648 13.247 -1.289 1.00 84.82 38 A 1 ATOM 301 C CA . ASP A 0 38 . 4.686 12.346 -0.799 1.00 84.82 38 A 1 ATOM 302 C C . ASP A 0 38 . 5.916 13.201 -0.413 1.00 84.82 38 A 1 ATOM 303 C CB . ASP A 0 38 . 4.985 11.251 -1.839 1.00 84.82 38 A 1 ATOM 304 O O . ASP A 0 38 . 6.422 13.931 -1.270 1.00 84.82 38 A 1 ATOM 305 C CG . ASP A 0 38 . 5.111 9.887 -1.155 1.00 84.82 38 A 1 ATOM 306 O OD1 . ASP A 0 38 . 6.052 9.729 -0.349 1.00 84.82 38 A 1 ATOM 307 O OD2 . ASP A 0 38 . 4.223 9.022 -1.385 1.00 84.82 38 A 1 ATOM 308 N N . PRO A 0 39 . 6.357 13.215 0.863 1.00 85.90 39 A 1 ATOM 309 C CA . PRO A 0 39 . 5.894 12.379 1.971 1.00 85.90 39 A 1 ATOM 310 C C . PRO A 0 39 . 4.435 12.648 2.357 1.00 85.90 39 A 1 ATOM 311 C CB . PRO A 0 39 . 6.842 12.680 3.135 1.00 85.90 39 A 1 ATOM 312 O O . PRO A 0 39 . 3.915 13.752 2.193 1.00 85.90 39 A 1 ATOM 313 C CG . PRO A 0 39 . 7.266 14.122 2.866 1.00 85.90 39 A 1 ATOM 314 C CD . PRO A 0 39 . 7.347 14.167 1.342 1.00 85.90 39 A 1 ATOM 315 N N . PHE A 0 40 . 3.774 11.603 2.853 1.00 87.40 40 A 1 ATOM 316 C CA . PHE A 0 40 . 2.344 11.620 3.141 1.00 87.40 40 A 1 ATOM 317 C C . PHE A 0 40 . 1.946 12.704 4.144 1.00 87.40 40 A 1 ATOM 318 C CB . PHE A 0 40 . 1.920 10.256 3.677 1.00 87.40 40 A 1 ATOM 319 O O . PHE A 0 40 . 2.576 12.865 5.190 1.00 87.40 40 A 1 ATOM 320 C CG . PHE A 0 40 . 0.434 10.161 3.954 1.00 87.40 40 A 1 ATOM 321 C CD1 . PHE A 0 40 . -0.051 9.938 5.257 1.00 87.40 40 A 1 ATOM 322 C CD2 . PHE A 0 40 . -0.469 10.312 2.895 1.00 87.40 40 A 1 ATOM 323 C CE1 . PHE A 0 40 . -1.432 9.815 5.486 1.00 87.40 40 A 1 ATOM 324 C CE2 . PHE A 0 40 . -1.840 10.165 3.120 1.00 87.40 40 A 1 ATOM 325 C CZ . PHE A 0 40 . -2.330 9.940 4.416 1.00 87.40 40 A 1 ATOM 326 N N . ARG A 0 41 . 0.845 13.402 3.852 1.00 84.72 41 A 1 ATOM 327 C CA . ARG A 0 41 . 0.217 14.363 4.760 1.00 84.72 41 A 1 ATOM 328 C C . ARG A 0 41 . -1.270 14.078 4.875 1.00 84.72 41 A 1 ATOM 329 C CB . ARG A 0 41 . 0.448 15.798 4.271 1.00 84.72 41 A 1 ATOM 330 O O . ARG A 0 41 . -1.989 14.138 3.887 1.00 84.72 41 A 1 ATOM 331 C CG . ARG A 0 41 . 1.932 16.179 4.286 1.00 84.72 41 A 1 ATOM 332 C CD . ARG A 0 41 . 2.053 17.668 3.977 1.00 84.72 41 A 1 ATOM 333 N NE . ARG A 0 41 . 3.459 18.104 3.938 1.00 84.72 41 A 1 ATOM 334 N NH1 . ARG A 0 41 . 3.104 20.003 2.714 1.00 84.72 41 A 1 ATOM 335 N NH2 . ARG A 0 41 . 5.124 19.616 3.588 1.00 84.72 41 A 1 ATOM 336 C CZ . ARG A 0 41 . 3.887 19.236 3.417 1.00 84.72 41 A 1 ATOM 337 N N . VAL A 0 42 . -1.726 13.858 6.104 1.00 86.27 42 A 1 ATOM 338 C CA . VAL A 0 42 . -3.131 13.550 6.421 1.00 86.27 42 A 1 ATOM 339 C C . VAL A 0 42 . -4.086 14.688 6.032 1.00 86.27 42 A 1 ATOM 340 C CB . VAL A 0 42 . -3.254 13.230 7.926 1.00 86.27 42 A 1 ATOM 341 O O . VAL A 0 42 . -5.239 14.436 5.700 1.00 86.27 42 A 1 ATOM 342 C CG1 . VAL A 0 42 . -4.700 12.976 8.359 1.00 86.27 42 A 1 ATOM 343 C CG2 . VAL A 0 42 . -2.427 11.991 8.299 1.00 86.27 42 A 1 ATOM 344 N N . LYS A 0 43 . -3.614 15.942 6.044 1.00 85.00 43 A 1 ATOM 345 C CA . LYS A 0 43 . -4.453 17.140 5.863 1.00 85.00 43 A 1 ATOM 346 C C . LYS A 0 43 . -5.208 17.182 4.527 1.00 85.00 43 A 1 ATOM 347 C CB . LYS A 0 43 . -3.578 18.392 6.043 1.00 85.00 43 A 1 ATOM 348 O O . LYS A 0 43 . -6.302 17.729 4.485 1.00 85.00 43 A 1 ATOM 349 C CG . LYS A 0 43 . -4.427 19.669 6.127 1.00 85.00 43 A 1 ATOM 350 C CD . LYS A 0 43 . -3.560 20.913 6.329 1.00 85.00 43 A 1 ATOM 351 C CE . LYS A 0 43 . -4.481 22.136 6.344 1.00 85.00 43 A 1 ATOM 352 N NZ . LYS A 0 43 . -3.713 23.401 6.431 1.00 85.00 43 A 1 ATOM 353 N N . ASP A 0 44 . -4.643 16.593 3.477 1.00 81.17 44 A 1 ATOM 354 C CA . ASP A 0 44 . -5.200 16.627 2.119 1.00 81.17 44 A 1 ATOM 355 C C . ASP A 0 44 . -5.847 15.284 1.737 1.00 81.17 44 A 1 ATOM 356 C CB . ASP A 0 44 . -4.112 17.079 1.129 1.00 81.17 44 A 1 ATOM 357 O O . ASP A 0 44 . -5.887 14.904 0.565 1.00 81.17 44 A 1 ATOM 358 C CG . ASP A 0 44 . -3.453 18.409 1.524 1.00 81.17 44 A 1 ATOM 359 O OD1 . ASP A 0 44 . -4.167 19.353 1.924 1.00 81.17 44 A 1 ATOM 360 O OD2 . ASP A 0 44 . -2.202 18.481 1.455 1.00 81.17 44 A 1 ATOM 361 N N . THR A 0 45 . -6.291 14.520 2.740 1.00 90.08 45 A 1 ATOM 362 C CA . THR A 0 45 . -6.864 13.185 2.555 1.00 90.08 45 A 1 ATOM 363 C C . THR A 0 45 . -8.164 13.011 3.301 1.00 90.08 45 A 1 ATOM 364 C CB . THR A 0 45 . -5.906 12.067 2.970 1.00 90.08 45 A 1 ATOM 365 O O . THR A 0 45 . -8.356 13.557 4.386 1.00 90.08 45 A 1 ATOM 366 C CG2 . THR A 0 45 . -4.590 12.170 2.223 1.00 90.08 45 A 1 ATOM 367 O OG1 . THR A 0 45 . -5.593 12.056 4.346 1.00 90.08 45 A 1 ATOM 368 N N . GLU A 0 46 . -9.034 12.193 2.728 1.00 95.42 46 A 1 ATOM 369 C CA . GLU A 0 46 . -10.250 11.743 3.385 1.00 95.42 46 A 1 ATOM 370 C C . GLU A 0 46 . -9.988 10.409 4.083 1.00 95.42 46 A 1 ATOM 371 C CB . GLU A 0 46 . -11.385 11.655 2.361 1.00 95.42 46 A 1 ATOM 372 O O . GLU A 0 46 . -9.124 9.632 3.672 1.00 95.42 46 A 1 ATOM 373 C CG . GLU A 0 46 . -11.744 13.053 1.822 1.00 95.42 46 A 1 ATOM 374 C CD . GLU A 0 46 . -12.831 13.027 0.740 1.00 95.42 46 A 1 ATOM 375 O OE1 . GLU A 0 46 . -13.064 14.104 0.148 1.00 95.42 46 A 1 ATOM 376 O OE2 . GLU A 0 46 . -13.411 11.944 0.502 1.00 95.42 46 A 1 ATOM 377 N N . ILE A 0 47 . -10.735 10.137 5.151 1.00 95.64 47 A 1 ATOM 378 C CA . ILE A 0 47 . -10.733 8.832 5.810 1.00 95.64 47 A 1 ATOM 379 C C . ILE A 0 47 . -12.037 8.136 5.445 1.00 95.64 47 A 1 ATOM 380 C CB . ILE A 0 47 . -10.525 8.959 7.333 1.00 95.64 47 A 1 ATOM 381 O O . ILE A 0 47 . -13.118 8.622 5.777 1.00 95.64 47 A 1 ATOM 382 C CG1 . ILE A 0 47 . -9.120 9.538 7.627 1.00 95.64 47 A 1 ATOM 383 C CG2 . ILE A 0 47 . -10.694 7.579 7.995 1.00 95.64 47 A 1 ATOM 384 C CD1 . ILE A 0 47 . -8.865 9.844 9.109 1.00 95.64 47 A 1 ATOM 385 N N . GLN A 0 48 . -11.929 6.983 4.793 1.00 96.18 48 A 1 ATOM 386 C CA . GLN A 0 48 . -13.069 6.127 4.490 1.00 96.18 48 A 1 ATOM 387 C C . GLN A 0 48 . -13.103 4.953 5.469 1.00 96.18 48 A 1 ATOM 388 C CB . GLN A 0 48 . -12.997 5.694 3.024 1.00 96.18 48 A 1 ATOM 389 O O . GLN A 0 48 . -12.075 4.331 5.717 1.00 96.18 48 A 1 ATOM 390 C CG . GLN A 0 48 . -14.265 4.943 2.595 1.00 96.18 48 A 1 ATOM 391 C CD . GLN A 0 48 . -14.314 4.659 1.098 1.00 96.18 48 A 1 ATOM 392 N NE2 . GLN A 0 48 . -15.254 3.857 0.655 1.00 96.18 48 A 1 ATOM 393 O OE1 . GLN A 0 48 . -13.520 5.126 0.299 1.00 96.18 48 A 1 ATOM 394 N N . ASN A 0 49 . -14.279 4.657 6.024 1.00 94.46 49 A 1 ATOM 395 C CA . ASN A 0 49 . -14.496 3.553 6.965 1.00 94.46 49 A 1 ATOM 396 C C . ASN A 0 49 . -15.044 2.314 6.239 1.00 94.46 49 A 1 ATOM 397 C CB . ASN A 0 49 . -15.463 4.011 8.074 1.00 94.46 49 A 1 ATOM 398 O O . ASN A 0 49 . -15.630 2.439 5.162 1.00 94.46 49 A 1 ATOM 399 C CG . ASN A 0 49 . -15.044 5.297 8.765 1.00 94.46 49 A 1 ATOM 400 N ND2 . ASN A 0 49 . -15.885 6.303 8.771 1.00 94.46 49 A 1 ATOM 401 O OD1 . ASN A 0 49 . -13.967 5.433 9.312 1.00 94.46 49 A 1 ATOM 402 N N . GLY A 0 50 . -14.941 1.136 6.860 1.00 93.84 50 A 1 ATOM 403 C CA . GLY A 0 50 . -15.565 -0.083 6.335 1.00 93.84 50 A 1 ATOM 404 C C . GLY A 0 50 . -14.797 -0.726 5.177 1.00 93.84 50 A 1 ATOM 405 O O . GLY A 0 50 . -15.385 -1.450 4.379 1.00 93.84 50 A 1 ATOM 406 N N . CYS A 0 51 . -13.497 -0.466 5.068 1.00 94.97 51 A 1 ATOM 407 C CA . CYS A 0 51 . -12.649 -0.975 3.999 1.00 94.97 51 A 1 ATOM 408 C C . CYS A 0 51 . -12.151 -2.389 4.290 1.00 94.97 51 A 1 ATOM 409 C CB . CYS A 0 51 . -11.472 -0.019 3.825 1.00 94.97 51 A 1 ATOM 410 O O . CYS A 0 51 . -11.700 -2.683 5.395 1.00 94.97 51 A 1 ATOM 411 S SG . CYS A 0 51 . -12.012 1.674 3.528 1.00 94.97 51 A 1 ATOM 412 N N . THR A 0 52 . -12.166 -3.262 3.284 1.00 95.55 52 A 1 ATOM 413 C CA . THR A 0 52 . -11.537 -4.587 3.398 1.00 95.55 52 A 1 ATOM 414 C C . THR A 0 52 . -10.015 -4.477 3.329 1.00 95.55 52 A 1 ATOM 415 C CB . THR A 0 52 . -12.036 -5.529 2.296 1.00 95.55 52 A 1 ATOM 416 O O . THR A 0 52 . -9.314 -5.108 4.115 1.00 95.55 52 A 1 ATOM 417 C CG2 . THR A 0 52 . -11.691 -6.985 2.590 1.00 95.55 52 A 1 ATOM 418 O OG1 . THR A 0 52 . -13.440 -5.448 2.187 1.00 95.55 52 A 1 ATOM 419 N N . PHE A 0 53 . -9.514 -3.641 2.416 1.00 95.86 53 A 1 ATOM 420 C CA . PHE A 0 53 . -8.096 -3.345 2.254 1.00 95.86 53 A 1 ATOM 421 C C . PHE A 0 53 . -7.879 -1.848 2.057 1.00 95.86 53 A 1 ATOM 422 C CB . PHE A 0 53 . -7.533 -4.094 1.040 1.00 95.86 53 A 1 ATOM 423 O O . PHE A 0 53 . -8.659 -1.172 1.373 1.00 95.86 53 A 1 ATOM 424 C CG . PHE A 0 53 . -7.636 -5.602 1.101 1.00 95.86 53 A 1 ATOM 425 C CD1 . PHE A 0 53 . -6.564 -6.359 1.602 1.00 95.86 53 A 1 ATOM 426 C CD2 . PHE A 0 53 . -8.791 -6.254 0.632 1.00 95.86 53 A 1 ATOM 427 C CE1 . PHE A 0 53 . -6.660 -7.760 1.661 1.00 95.86 53 A 1 ATOM 428 C CE2 . PHE A 0 53 . -8.893 -7.654 0.706 1.00 95.86 53 A 1 ATOM 429 C CZ . PHE A 0 53 . -7.832 -8.406 1.237 1.00 95.86 53 A 1 ATOM 430 N N . CYS A 0 54 . -6.760 -1.356 2.578 1.00 96.20 54 A 1 ATOM 431 C CA . CYS A 0 54 . -6.213 -0.066 2.197 1.00 96.20 54 A 1 ATOM 432 C C . CYS A 0 54 . -5.150 -0.270 1.117 1.00 96.20 54 A 1 ATOM 433 C CB . CYS A 0 54 . -5.640 0.644 3.421 1.00 96.20 54 A 1 ATOM 434 O O . CYS A 0 54 . -4.170 -0.984 1.328 1.00 96.20 54 A 1 ATOM 435 S SG . CYS A 0 54 . -6.718 0.784 4.863 1.00 96.20 54 A 1 ATOM 436 N N . SER A 0 55 . -5.333 0.376 -0.033 1.00 97.02 55 A 1 ATOM 437 C CA . SER A 0 55 . -4.397 0.333 -1.156 1.00 97.02 55 A 1 ATOM 438 C C . SER A 0 55 . -3.612 1.637 -1.269 1.00 97.02 55 A 1 ATOM 439 C CB . SER A 0 55 . -5.138 0.005 -2.453 1.00 97.02 55 A 1 ATOM 440 O O . SER A 0 55 . -4.151 2.728 -1.044 1.00 97.02 55 A 1 ATOM 441 O OG . SER A 0 55 . -4.231 -0.023 -3.539 1.00 97.02 55 A 1 ATOM 442 N N . THR A 0 56 . -2.337 1.523 -1.632 1.00 96.35 56 A 1 ATOM 443 C CA . THR A 0 56 . -1.464 2.623 -2.048 1.00 96.35 56 A 1 ATOM 444 C C . THR A 0 56 . -0.865 2.292 -3.405 1.00 96.35 56 A 1 ATOM 445 C CB . THR A 0 56 . -0.326 2.867 -1.051 1.00 96.35 56 A 1 ATOM 446 O O . THR A 0 56 . -0.092 1.348 -3.529 1.00 96.35 56 A 1 ATOM 447 C CG2 . THR A 0 56 . 0.482 4.121 -1.389 1.00 96.35 56 A 1 ATOM 448 O OG1 . THR A 0 56 . -0.850 3.066 0.233 1.00 96.35 56 A 1 ATOM 449 N N . ILE A 0 57 . -1.172 3.098 -4.414 1.00 96.62 57 A 1 ATOM 450 C CA . ILE A 0 57 . -0.643 2.961 -5.770 1.00 96.62 57 A 1 ATOM 451 C C . ILE A 0 57 . 0.377 4.069 -6.002 1.00 96.62 57 A 1 ATOM 452 C CB . ILE A 0 57 . -1.788 2.984 -6.803 1.00 96.62 57 A 1 ATOM 453 O O . ILE A 0 57 . 0.054 5.252 -5.886 1.00 96.62 57 A 1 ATOM 454 C CG1 . ILE A 0 57 . -2.742 1.792 -6.555 1.00 96.62 57 A 1 ATOM 455 C CG2 . ILE A 0 57 . -1.220 2.918 -8.229 1.00 96.62 57 A 1 ATOM 456 C CD1 . ILE A 0 57 . -3.937 1.727 -7.512 1.00 96.62 57 A 1 ATOM 457 N N . ARG A 0 58 . 1.603 3.694 -6.356 1.00 96.09 58 A 1 ATOM 458 C CA . ARG A 0 58 . 2.711 4.600 -6.661 1.00 96.09 58 A 1 ATOM 459 C C . ARG A 0 58 . 3.132 4.432 -8.112 1.00 96.09 58 A 1 ATOM 460 C CB . ARG A 0 58 . 3.885 4.318 -5.721 1.00 96.09 58 A 1 ATOM 461 O O . ARG A 0 58 . 3.490 3.337 -8.529 1.00 96.09 58 A 1 ATOM 462 C CG . ARG A 0 58 . 3.582 4.660 -4.259 1.00 96.09 58 A 1 ATOM 463 C CD . ARG A 0 58 . 4.861 4.513 -3.427 1.00 96.09 58 A 1 ATOM 464 N NE . ARG A 0 58 . 4.621 4.790 -1.997 1.00 96.09 58 A 1 ATOM 465 N NH1 . ARG A 0 58 . 4.408 2.615 -1.258 1.00 96.09 58 A 1 ATOM 466 N NH2 . ARG A 0 58 . 4.302 4.305 0.197 1.00 96.09 58 A 1 ATOM 467 C CZ . ARG A 0 58 . 4.448 3.901 -1.033 1.00 96.09 58 A 1 ATOM 468 N N . THR A 0 59 . 3.107 5.513 -8.878 1.00 97.09 59 A 1 ATOM 469 C CA . THR A 0 59 . 3.557 5.529 -10.276 1.00 97.09 59 A 1 ATOM 470 C C . THR A 0 59 . 4.946 6.137 -10.359 1.00 97.09 59 A 1 ATOM 471 C CB . THR A 0 59 . 2.585 6.306 -11.165 1.00 97.09 59 A 1 ATOM 472 O O . THR A 0 59 . 5.165 7.240 -9.859 1.00 97.09 59 A 1 ATOM 473 C CG2 . THR A 0 59 . 2.952 6.218 -12.646 1.00 97.09 59 A 1 ATOM 474 O OG1 . THR A 0 59 . 1.293 5.768 -11.022 1.00 97.09 59 A 1 ATOM 475 N N . TYR A 0 60 . 5.863 5.443 -11.020 1.00 97.74 60 A 1 ATOM 476 C CA . TYR A 0 60 . 7.249 5.845 -11.214 1.00 97.74 60 A 1 ATOM 477 C C . TYR A 0 60 . 7.553 6.067 -12.693 1.00 97.74 60 A 1 ATOM 478 C CB . TYR A 0 60 . 8.192 4.791 -10.622 1.00 97.74 60 A 1 ATOM 479 O O . TYR A 0 60 . 7.047 5.350 -13.559 1.00 97.74 60 A 1 ATOM 480 C CG . TYR A 0 60 . 8.119 4.676 -9.113 1.00 97.74 60 A 1 ATOM 481 C CD1 . TYR A 0 60 . 9.068 5.342 -8.313 1.00 97.74 60 A 1 ATOM 482 C CD2 . TYR A 0 60 . 7.112 3.898 -8.510 1.00 97.74 60 A 1 ATOM 483 C CE1 . TYR A 0 60 . 9.002 5.249 -6.910 1.00 97.74 60 A 1 ATOM 484 C CE2 . TYR A 0 60 . 7.059 3.785 -7.109 1.00 97.74 60 A 1 ATOM 485 O OH . TYR A 0 60 . 7.911 4.384 -4.953 1.00 97.74 60 A 1 ATOM 486 C CZ . TYR A 0 60 . 7.991 4.472 -6.306 1.00 97.74 60 A 1 ATOM 487 N N . VAL A 0 61 . 8.422 7.036 -12.966 1.00 98.04 61 A 1 ATOM 488 C CA . VAL A 0 61 . 9.040 7.275 -14.274 1.00 98.04 61 A 1 ATOM 489 C C . VAL A 0 61 . 10.524 7.506 -14.029 1.00 98.04 61 A 1 ATOM 490 C CB . VAL A 0 61 . 8.403 8.487 -14.986 1.00 98.04 61 A 1 ATOM 491 O O . VAL A 0 61 . 10.872 8.410 -13.272 1.00 98.04 61 A 1 ATOM 492 C CG1 . VAL A 0 61 . 9.123 8.819 -16.299 1.00 98.04 61 A 1 ATOM 493 C CG2 . VAL A 0 61 . 6.929 8.223 -15.322 1.00 98.04 61 A 1 ATOM 494 N N . GLN A 0 62 . 11.388 6.697 -14.647 1.00 97.05 62 A 1 ATOM 495 C CA . GLN A 0 62 . 12.849 6.775 -14.472 1.00 97.05 62 A 1 ATOM 496 C C . GLN A 0 62 . 13.266 6.808 -12.989 1.00 97.05 62 A 1 ATOM 497 C CB . GLN A 0 62 . 13.413 7.974 -15.254 1.00 97.05 62 A 1 ATOM 498 O O . GLN A 0 62 . 13.976 7.712 -12.550 1.00 97.05 62 A 1 ATOM 499 C CG . GLN A 0 62 . 13.153 7.909 -16.764 1.00 97.05 62 A 1 ATOM 500 C CD . GLN A 0 62 . 13.703 9.141 -17.476 1.00 97.05 62 A 1 ATOM 501 N NE2 . GLN A 0 62 . 14.155 9.003 -18.703 1.00 97.05 62 A 1 ATOM 502 O OE1 . GLN A 0 62 . 13.732 10.248 -16.963 1.00 97.05 62 A 1 ATOM 503 N N . ASP A 0 63 . 12.731 5.874 -12.200 1.00 95.11 63 A 1 ATOM 504 C CA . ASP A 0 63 . 12.944 5.728 -10.752 1.00 95.11 63 A 1 ATOM 505 C C . ASP A 0 63 . 12.441 6.897 -9.889 1.00 95.11 63 A 1 ATOM 506 C CB . ASP A 0 63 . 14.399 5.330 -10.454 1.00 95.11 63 A 1 ATOM 507 O O . ASP A 0 63 . 12.558 6.873 -8.663 1.00 95.11 63 A 1 ATOM 508 C CG . ASP A 0 63 . 14.725 3.983 -11.092 1.00 95.11 63 A 1 ATOM 509 O OD1 . ASP A 0 63 . 14.056 2.998 -10.697 1.00 95.11 63 A 1 ATOM 510 O OD2 . ASP A 0 63 . 15.576 3.948 -12.007 1.00 95.11 63 A 1 ATOM 511 N N . LYS A 0 64 . 11.795 7.899 -10.494 1.00 96.45 64 A 1 ATOM 512 C CA . LYS A 0 64 . 11.197 9.029 -9.781 1.00 96.45 64 A 1 ATOM 513 C C . LYS A 0 64 . 9.714 8.793 -9.565 1.00 96.45 64 A 1 ATOM 514 C CB . LYS A 0 64 . 11.451 10.335 -10.538 1.00 96.45 64 A 1 ATOM 515 O O . LYS A 0 64 . 8.962 8.626 -10.528 1.00 96.45 64 A 1 ATOM 516 C CG . LYS A 0 64 . 12.947 10.655 -10.614 1.00 96.45 64 A 1 ATOM 517 C CD . LYS A 0 64 . 13.171 11.944 -11.405 1.00 96.45 64 A 1 ATOM 518 C CE . LYS A 0 64 . 14.675 12.202 -11.509 1.00 96.45 64 A 1 ATOM 519 N NZ . LYS A 0 64 . 14.956 13.409 -12.321 1.00 96.45 64 A 1 ATOM 520 N N . LEU A 0 65 . 9.294 8.837 -8.304 1.00 94.90 65 A 1 ATOM 521 C CA . LEU A 0 65 . 7.886 8.832 -7.925 1.00 94.90 65 A 1 ATOM 522 C C . LEU A 0 65 . 7.186 10.050 -8.544 1.00 94.90 65 A 1 ATOM 523 C CB . LEU A 0 65 . 7.792 8.840 -6.390 1.00 94.90 65 A 1 ATOM 524 O O . LEU A 0 65 . 7.593 11.185 -8.311 1.00 94.90 65 A 1 ATOM 525 C CG . LEU A 0 65 . 6.354 8.834 -5.841 1.00 94.90 65 A 1 ATOM 526 C CD1 . LEU A 0 65 . 5.609 7.552 -6.211 1.00 94.90 65 A 1 ATOM 527 C CD2 . LEU A 0 65 . 6.410 8.935 -4.320 1.00 94.90 65 A 1 ATOM 528 N N . GLN A 0 66 . 6.151 9.803 -9.339 1.00 96.40 66 A 1 ATOM 529 C CA . GLN A 0 66 . 5.356 10.840 -10.001 1.00 96.40 66 A 1 ATOM 530 C C . GLN A 0 66 . 4.041 11.090 -9.273 1.00 96.40 66 A 1 ATOM 531 C CB . GLN A 0 66 . 5.053 10.421 -11.450 1.00 96.40 66 A 1 ATOM 532 O O . GLN A 0 66 . 3.630 12.231 -9.083 1.00 96.40 66 A 1 ATOM 533 C CG . GLN A 0 66 . 6.300 10.250 -12.321 1.00 96.40 66 A 1 ATOM 534 C CD . GLN A 0 66 . 7.172 11.496 -12.329 1.00 96.40 66 A 1 ATOM 535 N NE2 . GLN A 0 66 . 8.429 11.377 -11.972 1.00 96.40 66 A 1 ATOM 536 O OE1 . GLN A 0 66 . 6.736 12.591 -12.638 1.00 96.40 66 A 1 ATOM 537 N N . VAL A 0 67 . 3.351 10.011 -8.901 1.00 95.20 67 A 1 ATOM 538 C CA . VAL A 0 67 . 2.006 10.074 -8.331 1.00 95.20 67 A 1 ATOM 539 C C . VAL A 0 67 . 1.854 8.985 -7.286 1.00 95.20 67 A 1 ATOM 540 C CB . VAL A 0 67 . 0.927 9.914 -9.427 1.00 95.20 67 A 1 ATOM 541 O O . VAL A 0 67 . 2.140 7.822 -7.567 1.00 95.20 67 A 1 ATOM 542 C CG1 . VAL A 0 67 . -0.485 9.909 -8.827 1.00 95.20 67 A 1 ATOM 543 C CG2 . VAL A 0 67 . 0.976 11.043 -10.467 1.00 95.20 67 A 1 ATOM 544 N N . THR A 0 68 . 1.314 9.353 -6.128 1.00 95.52 68 A 1 ATOM 545 C CA . THR A 0 68 . 0.796 8.412 -5.134 1.00 95.52 68 A 1 ATOM 546 C C . THR A 0 68 . -0.719 8.573 -5.046 1.00 95.52 68 A 1 ATOM 547 C CB . THR A 0 68 . 1.468 8.612 -3.765 1.00 95.52 68 A 1 ATOM 548 O O . THR A 0 68 . -1.219 9.690 -4.953 1.00 95.52 68 A 1 ATOM 549 C CG2 . THR A 0 68 . 1.006 7.556 -2.764 1.00 95.52 68 A 1 ATOM 550 O OG1 . THR A 0 68 . 2.862 8.448 -3.872 1.00 95.52 68 A 1 ATOM 551 N N . SER A 0 69 . -1.470 7.477 -5.071 1.00 95.98 69 A 1 ATOM 552 C CA . SER A 0 69 . -2.917 7.470 -4.815 1.00 95.98 69 A 1 ATOM 553 C C . SER A 0 69 . -3.246 6.442 -3.747 1.00 95.98 69 A 1 ATOM 554 C CB . SER A 0 69 . -3.721 7.208 -6.089 1.00 95.98 69 A 1 ATOM 555 O O . SER A 0 69 . -2.595 5.400 -3.666 1.00 95.98 69 A 1 ATOM 556 O OG . SER A 0 69 . -3.432 8.220 -7.038 1.00 95.98 69 A 1 ATOM 557 N N . ARG A 0 70 . -4.240 6.739 -2.914 1.00 96.71 70 A 1 ATOM 558 C CA . ARG A 0 70 . -4.665 5.874 -1.812 1.00 96.71 70 A 1 ATOM 559 C C . ARG A 0 70 . -6.156 5.622 -1.896 1.00 96.71 70 A 1 ATOM 560 C CB . ARG A 0 70 . -4.300 6.500 -0.469 1.00 96.71 70 A 1 ATOM 561 O O . ARG A 0 70 . -6.905 6.521 -2.272 1.00 96.71 70 A 1 ATOM 562 C CG . ARG A 0 70 . -2.793 6.530 -0.220 1.00 96.71 70 A 1 ATOM 563 C CD . ARG A 0 70 . -2.526 7.249 1.103 1.00 96.71 70 A 1 ATOM 564 N NE . ARG A 0 70 . -1.109 7.175 1.475 1.00 96.71 70 A 1 ATOM 565 N NH1 . ARG A 0 70 . -0.239 8.726 0.031 1.00 96.71 70 A 1 ATOM 566 N NH2 . ARG A 0 70 . 1.105 7.645 1.442 1.00 96.71 70 A 1 ATOM 567 C CZ . ARG A 0 70 . -0.093 7.844 0.980 1.00 96.71 70 A 1 ATOM 568 N N . SER A 0 71 . -6.573 4.400 -1.590 1.00 97.18 71 A 1 ATOM 569 C CA . SER A 0 71 . -7.960 3.980 -1.786 1.00 97.18 71 A 1 ATOM 570 C C . SER A 0 71 . -8.395 2.881 -0.820 1.00 97.18 71 A 1 ATOM 571 C CB . SER A 0 71 . -8.191 3.568 -3.250 1.00 97.18 71 A 1 ATOM 572 O O . SER A 0 71 . -7.588 2.095 -0.326 1.00 97.18 71 A 1 ATOM 573 O OG . SER A 0 71 . -7.114 2.811 -3.769 1.00 97.18 71 A 1 ATOM 574 N N . CYS A 0 72 . -9.700 2.858 -0.572 1.00 97.70 72 A 1 ATOM 575 C CA . CYS A 0 72 . -10.442 1.802 0.099 1.00 97.70 72 A 1 ATOM 576 C C . CYS A 0 72 . -10.914 0.802 -0.963 1.00 97.70 72 A 1 ATOM 577 C CB . CYS A 0 72 . -11.639 2.503 0.739 1.00 97.70 72 A 1 ATOM 578 O O . CYS A 0 72 . -11.643 1.198 -1.875 1.00 97.70 72 A 1 ATOM 579 S SG . CYS A 0 72 . -12.785 1.488 1.681 1.00 97.70 72 A 1 ATOM 580 N N . VAL A 0 73 . -10.490 -0.462 -0.895 1.00 96.96 73 A 1 ATOM 581 C CA . VAL A 0 73 . -10.810 -1.452 -1.941 1.00 96.96 73 A 1 ATOM 582 C C . VAL A 0 73 . -11.272 -2.790 -1.349 1.00 96.96 73 A 1 ATOM 583 C CB . VAL A 0 73 . -9.652 -1.638 -2.946 1.00 96.96 73 A 1 ATOM 584 O O . VAL A 0 73 . -10.804 -3.179 -0.276 1.00 96.96 73 A 1 ATOM 585 C CG1 . VAL A 0 73 . -9.336 -0.342 -3.703 1.00 96.96 73 A 1 ATOM 586 C CG2 . VAL A 0 73 . -8.363 -2.145 -2.298 1.00 96.96 73 A 1 ATOM 587 N N . PRO A 0 74 . -12.180 -3.519 -2.030 1.00 96.26 74 A 1 ATOM 588 C CA . PRO A 0 74 . -12.637 -4.837 -1.581 1.00 96.26 74 A 1 ATOM 589 C C . PRO A 0 74 . -11.592 -5.935 -1.816 1.00 96.26 74 A 1 ATOM 590 C CB . PRO A 0 74 . -13.908 -5.107 -2.391 1.00 96.26 74 A 1 ATOM 591 O O . PRO A 0 74 . -11.577 -6.938 -1.112 1.00 96.26 74 A 1 ATOM 592 C CG . PRO A 0 74 . -13.667 -4.352 -3.699 1.00 96.26 74 A 1 ATOM 593 C CD . PRO A 0 74 . -12.892 -3.119 -3.241 1.00 96.26 74 A 1 ATOM 594 N N . VAL A 0 75 . -10.718 -5.746 -2.808 1.00 96.31 75 A 1 ATOM 595 C CA . VAL A 0 75 . -9.632 -6.659 -3.172 1.00 96.31 75 A 1 ATOM 596 C C . VAL A 0 75 . -8.394 -5.820 -3.456 1.00 96.31 75 A 1 ATOM 597 C CB . VAL A 0 75 . -9.998 -7.517 -4.403 1.00 96.31 75 A 1 ATOM 598 O O . VAL A 0 75 . -8.486 -4.794 -4.129 1.00 96.31 75 A 1 ATOM 599 C CG1 . VAL A 0 75 . -8.874 -8.500 -4.761 1.00 96.31 75 A 1 ATOM 600 C CG2 . VAL A 0 75 . -11.275 -8.337 -4.171 1.00 96.31 75 A 1 ATOM 601 N N . CYS A 0 76 . -7.241 -6.255 -2.957 1.00 96.81 76 A 1 ATOM 602 C CA . CYS A 0 76 . -5.957 -5.617 -3.215 1.00 96.81 76 A 1 ATOM 603 C C . CYS A 0 76 . -4.907 -6.686 -3.522 1.00 96.81 76 A 1 ATOM 604 C CB . CYS A 0 76 . -5.586 -4.752 -2.008 1.00 96.81 76 A 1 ATOM 605 O O . CYS A 0 76 . -4.828 -7.694 -2.822 1.00 96.81 76 A 1 ATOM 606 S SG . CYS A 0 76 . -4.243 -3.573 -2.295 1.00 96.81 76 A 1 ATOM 607 N N . VAL A 0 77 . -4.119 -6.469 -4.576 1.00 96.74 77 A 1 ATOM 608 C CA . VAL A 0 77 . -3.025 -7.359 -4.976 1.00 96.74 77 A 1 ATOM 609 C C . VAL A 0 77 . -1.727 -6.568 -4.926 1.00 96.74 77 A 1 ATOM 610 C CB . VAL A 0 77 . -3.267 -7.979 -6.367 1.00 96.74 77 A 1 ATOM 611 O O . VAL A 0 77 . -1.565 -5.588 -5.653 1.00 96.74 77 A 1 ATOM 612 C CG1 . VAL A 0 77 . -2.130 -8.928 -6.764 1.00 96.74 77 A 1 ATOM 613 C CG2 . VAL A 0 77 . -4.576 -8.783 -6.396 1.00 96.74 77 A 1 ATOM 614 N N . GLU A 0 78 . -0.818 -7.003 -4.057 1.00 96.45 78 A 1 ATOM 615 C CA . GLU A 0 78 . 0.558 -6.509 -4.000 1.00 96.45 78 A 1 ATOM 616 C C . GLU A 0 78 . 1.242 -6.759 -5.343 1.00 96.45 78 A 1 ATOM 617 C CB . GLU A 0 78 . 1.321 -7.252 -2.893 1.00 96.45 78 A 1 ATOM 618 O O . GLU A 0 78 . 1.277 -7.892 -5.833 1.00 96.45 78 A 1 ATOM 619 C CG . GLU A 0 78 . 0.930 -6.800 -1.481 1.00 96.45 78 A 1 ATOM 620 C CD . GLU A 0 78 . 1.494 -5.425 -1.107 1.00 96.45 78 A 1 ATOM 621 O OE1 . GLU A 0 78 . 1.150 -4.936 -0.014 1.00 96.45 78 A 1 ATOM 622 O OE2 . GLU A 0 78 . 2.269 -4.837 -1.889 1.00 96.45 78 A 1 ATOM 623 N N . ALA A 0 79 . 1.772 -5.706 -5.958 1.00 96.38 79 A 1 ATOM 624 C CA . ALA A 0 79 . 2.407 -5.819 -7.263 1.00 96.38 79 A 1 ATOM 625 C C . ALA A 0 79 . 3.460 -4.733 -7.468 1.00 96.38 79 A 1 ATOM 626 C CB . ALA A 0 79 . 1.331 -5.752 -8.358 1.00 96.38 79 A 1 ATOM 627 O O . ALA A 0 79 . 3.215 -3.559 -7.203 1.00 96.38 79 A 1 ATOM 628 N N . ASP A 0 80 . 4.600 -5.112 -8.040 1.00 97.27 80 A 1 ATOM 629 C CA . ASP A 0 80 . 5.576 -4.183 -8.605 1.00 97.27 80 A 1 ATOM 630 C C . ASP A 0 80 . 5.659 -4.427 -10.115 1.00 97.27 80 A 1 ATOM 631 C CB . ASP A 0 80 . 6.930 -4.309 -7.889 1.00 97.27 80 A 1 ATOM 632 O O . ASP A 0 80 . 6.276 -5.381 -10.590 1.00 97.27 80 A 1 ATOM 633 C CG . ASP A 0 80 . 7.894 -3.173 -8.264 1.00 97.27 80 A 1 ATOM 634 O OD1 . ASP A 0 80 . 7.716 -2.528 -9.323 1.00 97.27 80 A 1 ATOM 635 O OD2 . ASP A 0 80 . 8.806 -2.857 -7.468 1.00 97.27 80 A 1 ATOM 636 N N . ALA A 0 81 . 4.973 -3.579 -10.875 1.00 96.83 81 A 1 ATOM 637 C CA . ALA A 0 81 . 4.926 -3.622 -12.330 1.00 96.83 81 A 1 ATOM 638 C C . ALA A 0 81 . 5.952 -2.671 -12.968 1.00 96.83 81 A 1 ATOM 639 C CB . ALA A 0 81 . 3.483 -3.364 -12.784 1.00 96.83 81 A 1 ATOM 640 O O . ALA A 0 81 . 5.776 -2.253 -14.117 1.00 96.83 81 A 1 ATOM 641 N N . ARG A 0 82 . 7.013 -2.282 -12.248 1.00 96.73 82 A 1 ATOM 642 C CA . ARG A 0 82 . 8.064 -1.435 -12.818 1.00 96.73 82 A 1 ATOM 643 C C . ARG A 0 82 . 8.945 -2.210 -13.799 1.00 96.73 82 A 1 ATOM 644 C CB . ARG A 0 82 . 8.890 -0.754 -11.722 1.00 96.73 82 A 1 ATOM 645 O O . ARG A 0 82 . 9.363 -3.341 -13.562 1.00 96.73 82 A 1 ATOM 646 C CG . ARG A 0 82 . 8.051 0.250 -10.910 1.00 96.73 82 A 1 ATOM 647 C CD . ARG A 0 82 . 8.899 0.919 -9.827 1.00 96.73 82 A 1 ATOM 648 N NE . ARG A 0 82 . 9.347 -0.050 -8.813 1.00 96.73 82 A 1 ATOM 649 N NH1 . ARG A 0 82 . 11.141 1.142 -8.002 1.00 96.73 82 A 1 ATOM 650 N NH2 . ARG A 0 82 . 10.602 -0.840 -7.115 1.00 96.73 82 A 1 ATOM 651 C CZ . ARG A 0 82 . 10.357 0.093 -7.982 1.00 96.73 82 A 1 ATOM 652 N N . ARG A 0 83 . 9.282 -1.559 -14.910 1.00 97.58 83 A 1 ATOM 653 C CA . ARG A 0 83 . 10.273 -1.974 -15.907 1.00 97.58 83 A 1 ATOM 654 C C . ARG A 0 83 . 11.218 -0.803 -16.138 1.00 97.58 83 A 1 ATOM 655 C CB . ARG A 0 83 . 9.570 -2.375 -17.216 1.00 97.58 83 A 1 ATOM 656 O O . ARG A 0 83 . 10.763 0.301 -16.423 1.00 97.58 83 A 1 ATOM 657 C CG . ARG A 0 83 . 8.619 -3.577 -17.092 1.00 97.58 83 A 1 ATOM 658 C CD . ARG A 0 83 . 9.359 -4.862 -16.701 1.00 97.58 83 A 1 ATOM 659 N NE . ARG A 0 83 . 8.454 -6.025 -16.698 1.00 97.58 83 A 1 ATOM 660 N NH1 . ARG A 0 83 . 9.974 -7.569 -15.941 1.00 97.58 83 A 1 ATOM 661 N NH2 . ARG A 0 83 . 7.877 -8.201 -16.360 1.00 97.58 83 A 1 ATOM 662 C CZ . ARG A 0 83 . 8.771 -7.253 -16.336 1.00 97.58 83 A 1 ATOM 663 N N . SER A 0 84 . 12.521 -1.028 -15.976 1.00 96.56 84 A 1 ATOM 664 C CA . SER A 0 84 . 13.543 0.022 -16.132 1.00 96.56 84 A 1 ATOM 665 C C . SER A 0 84 . 13.198 1.300 -15.346 1.00 96.56 84 A 1 ATOM 666 C CB . SER A 0 84 . 13.795 0.294 -17.621 1.00 96.56 84 A 1 ATOM 667 O O . SER A 0 84 . 13.148 2.400 -15.898 1.00 96.56 84 A 1 ATOM 668 O OG . SER A 0 84 . 14.085 -0.922 -18.289 1.00 96.56 84 A 1 ATOM 669 N N . GLY A 0 85 . 12.831 1.125 -14.071 1.00 94.93 85 A 1 ATOM 670 C CA . GLY A 0 85 . 12.478 2.215 -13.156 1.00 94.93 85 A 1 ATOM 671 C C . GLY A 0 85 . 11.134 2.901 -13.414 1.00 94.93 85 A 1 ATOM 672 O O . GLY A 0 85 . 10.783 3.845 -12.709 1.00 94.93 85 A 1 ATOM 673 N N . SER A 0 86 . 10.362 2.452 -14.404 1.00 97.97 86 A 1 ATOM 674 C CA . SER A 0 86 . 9.088 3.069 -14.783 1.00 97.97 86 A 1 ATOM 675 C C . SER A 0 86 . 7.943 2.074 -14.666 1.00 97.97 86 A 1 ATOM 676 C CB . SER A 0 86 . 9.162 3.632 -16.201 1.00 97.97 86 A 1 ATOM 677 O O . SER A 0 86 . 8.072 0.931 -15.090 1.00 97.97 86 A 1 ATOM 678 O OG . SER A 0 86 . 10.287 4.485 -16.321 1.00 97.97 86 A 1 ATOM 679 N N . GLY A 0 87 . 6.818 2.486 -14.097 1.00 97.88 87 A 1 ATOM 680 C CA . GLY A 0 87 . 5.652 1.624 -13.907 1.00 97.88 87 A 1 ATOM 681 C C . GLY A 0 87 . 4.977 1.863 -12.567 1.00 97.88 87 A 1 ATOM 682 O O . GLY A 0 87 . 5.172 2.901 -11.937 1.00 97.88 87 A 1 ATOM 683 N N . ILE A 0 88 . 4.157 0.908 -12.144 1.00 97.72 88 A 1 ATOM 684 C CA . ILE A 0 88 . 3.266 1.066 -10.995 1.00 97.72 88 A 1 ATOM 685 C C . ILE A 0 88 . 3.645 0.072 -9.903 1.00 97.72 88 A 1 ATOM 686 C CB . ILE A 0 88 . 1.793 0.937 -11.440 1.00 97.72 88 A 1 ATOM 687 O O . ILE A 0 88 . 3.860 -1.102 -10.184 1.00 97.72 88 A 1 ATOM 688 C CG1 . ILE A 0 88 . 1.437 2.052 -12.454 1.00 97.72 88 A 1 ATOM 689 C CG2 . ILE A 0 88 . 0.870 1.016 -10.216 1.00 97.72 88 A 1 ATOM 690 C CD1 . ILE A 0 88 . 0.049 1.907 -13.090 1.00 97.72 88 A 1 ATOM 691 N N . VAL A 0 89 . 3.680 0.542 -8.661 1.00 96.79 89 A 1 ATOM 692 C CA . VAL A 0 89 . 3.794 -0.287 -7.461 1.00 96.79 89 A 1 ATOM 693 C C . VAL A 0 89 . 2.503 -0.155 -6.668 1.00 96.79 89 A 1 ATOM 694 C CB . VAL A 0 89 . 5.009 0.104 -6.606 1.00 96.79 89 A 1 ATOM 695 O O . VAL A 0 89 . 2.100 0.958 -6.334 1.00 96.79 89 A 1 ATOM 696 C CG1 . VAL A 0 89 . 5.185 -0.861 -5.429 1.00 96.79 89 A 1 ATOM 697 C CG2 . VAL A 0 89 . 6.297 0.098 -7.433 1.00 96.79 89 A 1 ATOM 698 N N . THR A 0 90 . 1.861 -1.274 -6.369 1.00 96.84 90 A 1 ATOM 699 C CA . THR A 0 90 . 0.672 -1.350 -5.518 1.00 96.84 90 A 1 ATOM 700 C C . THR A 0 90 . 1.066 -1.985 -4.200 1.00 96.84 90 A 1 ATOM 701 C CB . THR A 0 90 . -0.445 -2.165 -6.180 1.00 96.84 90 A 1 ATOM 702 O O . THR A 0 90 . 1.647 -3.065 -4.212 1.00 96.84 90 A 1 ATOM 703 C CG2 . THR A 0 90 . -1.733 -2.157 -5.357 1.00 96.84 90 A 1 ATOM 704 O OG1 . THR A 0 90 . -0.740 -1.593 -7.437 1.00 96.84 90 A 1 ATOM 705 N N . SER A 0 91 . 0.738 -1.313 -3.099 1.00 96.08 91 A 1 ATOM 706 C CA . SER A 0 91 . 0.880 -1.813 -1.734 1.00 96.08 91 A 1 ATOM 707 C C . SER A 0 91 . -0.477 -1.921 -1.055 1.00 96.08 91 A 1 ATOM 708 C CB . SER A 0 91 . 1.831 -0.952 -0.903 1.00 96.08 91 A 1 ATOM 709 O O . SER A 0 91 . -1.327 -1.046 -1.217 1.00 96.08 91 A 1 ATOM 710 O OG . SER A 0 91 . 3.098 -0.853 -1.527 1.00 96.08 91 A 1 ATOM 711 N N . CYS A 0 92 . -0.657 -2.969 -0.269 1.00 95.75 92 A 1 ATOM 712 C CA . CYS A 0 92 . -1.890 -3.400 0.359 1.00 95.75 92 A 1 ATOM 713 C C . CYS A 0 92 . -1.666 -3.593 1.861 1.00 95.75 92 A 1 ATOM 714 C CB . CYS A 0 92 . -2.325 -4.724 -0.282 1.00 95.75 92 A 1 ATOM 715 O O . CYS A 0 92 . -0.621 -4.059 2.313 1.00 95.75 92 A 1 ATOM 716 S SG . CYS A 0 92 . -2.562 -4.677 -2.077 1.00 95.75 92 A 1 ATOM 717 N N . CYS A 0 93 . -2.665 -3.254 2.664 1.00 94.68 93 A 1 ATOM 718 C CA . CYS A 0 93 . -2.655 -3.550 4.092 1.00 94.68 93 A 1 ATOM 719 C C . CYS A 0 93 . -4.085 -3.656 4.635 1.00 94.68 93 A 1 ATOM 720 C CB . CYS A 0 93 . -1.790 -2.501 4.798 1.00 94.68 93 A 1 ATOM 721 O O . CYS A 0 93 . -5.032 -3.183 3.999 1.00 94.68 93 A 1 ATOM 722 S SG . CYS A 0 93 . -2.310 -0.788 4.589 1.00 94.68 93 A 1 ATOM 723 N N . GLN A 0 94 . -4.237 -4.317 5.784 1.00 92.38 94 A 1 ATOM 724 C CA . GLN A 0 94 . -5.526 -4.637 6.413 1.00 92.38 94 A 1 ATOM 725 C C . GLN A 0 94 . -5.533 -4.237 7.889 1.00 92.38 94 A 1 ATOM 726 C CB . GLN A 0 94 . -5.855 -6.127 6.256 1.00 92.38 94 A 1 ATOM 727 O O . GLN A 0 94 . -5.913 -5.011 8.756 1.00 92.38 94 A 1 ATOM 728 C CG . GLN A 0 94 . -6.021 -6.549 4.802 1.00 92.38 94 A 1 ATOM 729 C CD . GLN A 0 94 . -6.490 -7.991 4.732 1.00 92.38 94 A 1 ATOM 730 N NE2 . GLN A 0 94 . -7.780 -8.229 4.805 1.00 92.38 94 A 1 ATOM 731 O OE1 . GLN A 0 94 . -5.708 -8.919 4.602 1.00 92.38 94 A 1 ATOM 732 N N . ASP A 0 95 . -5.077 -3.023 8.167 1.00 90.71 95 A 1 ATOM 733 C CA . ASP A 0 95 . -5.103 -2.452 9.505 1.00 90.71 95 A 1 ATOM 734 C C . ASP A 0 95 . -5.683 -1.042 9.446 1.00 90.71 95 A 1 ATOM 735 C CB . ASP A 0 95 . -3.705 -2.478 10.144 1.00 90.71 95 A 1 ATOM 736 O O . ASP A 0 95 . -5.765 -0.409 8.389 1.00 90.71 95 A 1 ATOM 737 C CG . ASP A 0 95 . -3.256 -3.883 10.528 1.00 90.71 95 A 1 ATOM 738 O OD1 . ASP A 0 95 . -3.979 -4.515 11.326 1.00 90.71 95 A 1 ATOM 739 O OD2 . ASP A 0 95 . -2.163 -4.274 10.057 1.00 90.71 95 A 1 ATOM 740 N N . ASP A 0 96 . -6.097 -0.540 10.601 1.00 92.67 96 A 1 ATOM 741 C CA . ASP A 0 96 . -6.639 0.804 10.702 1.00 92.67 96 A 1 ATOM 742 C C . ASP A 0 96 . -5.607 1.851 10.257 1.00 92.67 96 A 1 ATOM 743 C CB . ASP A 0 96 . -7.114 1.041 12.135 1.00 92.67 96 A 1 ATOM 744 O O . ASP A 0 96 . -4.504 1.936 10.798 1.00 92.67 96 A 1 ATOM 745 C CG . ASP A 0 96 . -7.923 2.324 12.208 1.00 92.67 96 A 1 ATOM 746 O OD1 . ASP A 0 96 . -8.972 2.398 11.533 1.00 92.67 96 A 1 ATOM 747 O OD2 . ASP A 0 96 . -7.530 3.264 12.929 1.00 92.67 96 A 1 ATOM 748 N N . LEU A 0 97 . -5.962 2.646 9.246 1.00 93.52 97 A 1 ATOM 749 C CA . LEU A 0 97 . -5.154 3.741 8.700 1.00 93.52 97 A 1 ATOM 750 C C . LEU A 0 97 . -3.738 3.308 8.258 1.00 93.52 97 A 1 ATOM 751 C CB . LEU A 0 97 . -5.185 4.909 9.705 1.00 93.52 97 A 1 ATOM 752 O O . LEU A 0 97 . -2.801 4.116 8.199 1.00 93.52 97 A 1 ATOM 753 C CG . LEU A 0 97 . -6.591 5.436 10.043 1.00 93.52 97 A 1 ATOM 754 C CD1 . LEU A 0 97 . -6.483 6.542 11.093 1.00 93.52 97 A 1 ATOM 755 C CD2 . LEU A 0 97 . -7.313 6.016 8.824 1.00 93.52 97 A 1 ATOM 756 N N . CYS A 0 98 . -3.581 2.031 7.906 1.00 94.13 98 A 1 ATOM 757 C CA . CYS A 0 98 . -2.293 1.396 7.625 1.00 94.13 98 A 1 ATOM 758 C C . CYS A 0 98 . -1.592 1.934 6.371 1.00 94.13 98 A 1 ATOM 759 C CB . CYS A 0 98 . -2.563 -0.099 7.512 1.00 94.13 98 A 1 ATOM 760 O O . CYS A 0 98 . -0.373 1.848 6.236 1.00 94.13 98 A 1 ATOM 761 S SG . CYS A 0 98 . -3.609 -0.592 6.118 1.00 94.13 98 A 1 ATOM 762 N N . ASN A 0 99 . -2.342 2.556 5.458 1.00 94.88 99 A 1 ATOM 763 C CA . ASN A 0 99 . -1.804 3.151 4.238 1.00 94.88 99 A 1 ATOM 764 C C . ASN A 0 99 . -1.239 4.572 4.436 1.00 94.88 99 A 1 ATOM 765 C CB . ASN A 0 99 . -2.830 3.036 3.101 1.00 94.88 99 A 1 ATOM 766 O O . ASN A 0 99 . -1.018 5.284 3.457 1.00 94.88 99 A 1 ATOM 767 C CG . ASN A 0 99 . -4.081 3.878 3.266 1.00 94.88 99 A 1 ATOM 768 N ND2 . ASN A 0 99 . -4.763 4.122 2.173 1.00 94.88 99 A 1 ATOM 769 O OD1 . ASN A 0 99 . -4.473 4.293 4.343 1.00 94.88 99 A 1 ATOM 770 N N . SER A 0 100 . -0.977 5.008 5.672 1.00 91.24 100 A 1 ATOM 771 C CA . SER A 0 100 . -0.351 6.311 5.960 1.00 91.24 100 A 1 ATOM 772 C C . SER A 0 100 . 1.074 6.449 5.419 1.00 91.24 100 A 1 ATOM 773 C CB . SER A 0 100 . -0.288 6.591 7.467 1.00 91.24 100 A 1 ATOM 774 O O . SER A 0 100 . 1.504 7.556 5.112 1.00 91.24 100 A 1 ATOM 775 O OG . SER A 0 100 . 0.117 5.452 8.197 1.00 91.24 100 A 1 ATOM 776 N N . GLY A 0 101 . 1.840 5.374 5.253 1.00 79.08 101 A 1 ATOM 777 C CA . GLY A 0 101 . 3.255 5.533 4.928 1.00 79.08 101 A 1 ATOM 778 C C . GLY A 0 101 . 3.950 4.271 4.465 1.00 79.08 101 A 1 ATOM 779 O O . GLY A 0 101 . 3.331 3.255 4.157 1.00 79.08 101 A 1 ATOM 780 N N . THR A 0 102 . 5.270 4.368 4.359 1.00 65.53 102 A 1 ATOM 781 C CA . THR A 0 102 . 6.125 3.212 4.109 1.00 65.53 102 A 1 ATOM 782 C C . THR A 0 102 . 6.017 2.299 5.322 1.00 65.53 102 A 1 ATOM 783 C CB . THR A 0 102 . 7.585 3.634 3.868 1.00 65.53 102 A 1 ATOM 784 O O . THR A 0 102 . 6.405 2.690 6.419 1.00 65.53 102 A 1 ATOM 785 C CG2 . THR A 0 102 . 8.294 2.638 2.955 1.00 65.53 102 A 1 ATOM 786 O OG1 . THR A 0 102 . 7.639 4.887 3.218 1.00 65.53 102 A 1 ATOM 787 N N . GLN A 0 103 . 5.432 1.117 5.134 1.00 58.77 103 A 1 ATOM 788 C CA . GLN A 0 103 . 5.253 0.136 6.196 1.00 58.77 103 A 1 ATOM 789 C C . GLN A 0 103 . 6.623 -0.292 6.725 1.00 58.77 103 A 1 ATOM 790 C CB . GLN A 0 103 . 4.466 -1.070 5.654 1.00 58.77 103 A 1 ATOM 791 O O . GLN A 0 103 . 7.315 -1.102 6.109 1.00 58.77 103 A 1 ATOM 792 C CG . GLN A 0 103 . 2.999 -0.741 5.317 1.00 58.77 103 A 1 ATOM 793 C CD . GLN A 0 103 . 2.051 -1.646 6.091 1.00 58.77 103 A 1 ATOM 794 N NE2 . GLN A 0 103 . 1.467 -2.653 5.481 1.00 58.77 103 A 1 ATOM 795 O OE1 . GLN A 0 103 . 1.875 -1.499 7.284 1.00 58.77 103 A 1 ATOM 796 N N . THR A 0 104 . 7.037 0.252 7.866 1.00 57.58 104 A 1 ATOM 797 C CA . THR A 0 104 . 8.145 -0.312 8.630 1.00 57.58 104 A 1 ATOM 798 C C . THR A 0 104 . 7.605 -1.567 9.299 1.00 57.58 104 A 1 ATOM 799 C CB . THR A 0 104 . 8.743 0.671 9.660 1.00 57.58 104 A 1 ATOM 800 O O . THR A 0 104 . 6.949 -1.497 10.336 1.00 57.58 104 A 1 ATOM 801 C CG2 . THR A 0 104 . 10.270 0.636 9.608 1.00 57.58 104 A 1 ATOM 802 O OG1 . THR A 0 104 . 8.365 2.005 9.412 1.00 57.58 104 A 1 ATOM 803 N N . GLN A 0 105 . 7.828 -2.727 8.684 1.00 58.42 105 A 1 ATOM 804 C CA . GLN A 0 105 . 7.517 -4.007 9.312 1.00 58.42 105 A 1 ATOM 805 C C . GLN A 0 105 . 8.484 -4.216 10.483 1.00 58.42 105 A 1 ATOM 806 C CB . GLN A 0 105 . 7.591 -5.152 8.292 1.00 58.42 105 A 1 ATOM 807 O O . GLN A 0 105 . 9.586 -4.739 10.321 1.00 58.42 105 A 1 ATOM 808 C CG . GLN A 0 105 . 6.469 -5.085 7.243 1.00 58.42 105 A 1 ATOM 809 C CD . GLN A 0 105 . 6.409 -6.337 6.370 1.00 58.42 105 A 1 ATOM 810 N NE2 . GLN A 0 105 . 5.372 -6.498 5.578 1.00 58.42 105 A 1 ATOM 811 O OE1 . GLN A 0 105 . 7.278 -7.193 6.378 1.00 58.42 105 A 1 ATOM 812 N N . ILE A 0 106 . 8.104 -3.758 11.674 1.00 59.77 106 A 1 ATOM 813 C CA . ILE A 0 106 . 8.830 -4.107 12.893 1.00 59.77 106 A 1 ATOM 814 C C . ILE A 0 106 . 8.483 -5.562 13.189 1.00 59.77 106 A 1 ATOM 815 C CB . ILE A 0 106 . 8.512 -3.154 14.064 1.00 59.77 106 A 1 ATOM 816 O O . ILE A 0 106 . 7.340 -5.890 13.502 1.00 59.77 106 A 1 ATOM 817 C CG1 . ILE A 0 106 . 8.883 -1.702 13.676 1.00 59.77 106 A 1 ATOM 818 C CG2 . ILE A 0 106 . 9.289 -3.604 15.319 1.00 59.77 106 A 1 ATOM 819 C CD1 . ILE A 0 106 . 8.519 -0.656 14.735 1.00 59.77 106 A 1 ATOM 820 N N . SER A 0 107 . 9.470 -6.447 13.056 1.00 63.06 107 A 1 ATOM 821 C CA . SER A 0 107 . 9.270 -7.858 13.360 1.00 63.06 107 A 1 ATOM 822 C C . SER A 0 107 . 8.918 -8.020 14.837 1.00 63.06 107 A 1 ATOM 823 C CB . SER A 0 107 . 10.508 -8.685 13.016 1.00 63.06 107 A 1 ATOM 824 O O . SER A 0 107 . 9.722 -7.700 15.716 1.00 63.06 107 A 1 ATOM 825 O OG . SER A 0 107 . 10.183 -10.047 13.203 1.00 63.06 107 A 1 ATOM 826 N N . MET A 0 108 . 7.740 -8.580 15.110 1.00 64.90 108 A 1 ATOM 827 C CA . MET A 0 108 . 7.285 -8.940 16.460 1.00 64.90 108 A 1 ATOM 828 C C . MET A 0 108 . 8.323 -9.780 17.222 1.00 64.90 108 A 1 ATOM 829 C CB . MET A 0 108 . 5.970 -9.728 16.333 1.00 64.90 108 A 1 ATOM 830 O O . MET A 0 108 . 8.418 -9.689 18.445 1.00 64.90 108 A 1 ATOM 831 C CG . MET A 0 108 . 4.774 -8.814 16.045 1.00 64.90 108 A 1 ATOM 832 S SD . MET A 0 108 . 4.028 -8.114 17.542 1.00 64.90 108 A 1 ATOM 833 C CE . MET A 0 108 . 2.487 -9.073 17.595 1.00 64.90 108 A 1 ATOM 834 N N . THR A 0 109 . 9.158 -10.549 16.512 1.00 69.63 109 A 1 ATOM 835 C CA . THR A 0 109 . 10.234 -11.346 17.121 1.00 69.63 109 A 1 ATOM 836 C C . THR A 0 109 . 11.251 -10.501 17.888 1.00 69.63 109 A 1 ATOM 837 C CB . THR A 0 109 . 10.978 -12.199 16.082 1.00 69.63 109 A 1 ATOM 838 O O . THR A 0 109 . 11.703 -10.942 18.940 1.00 69.63 109 A 1 ATOM 839 C CG2 . THR A 0 109 . 10.054 -13.200 15.392 1.00 69.63 109 A 1 ATOM 840 O OG1 . THR A 0 109 . 11.563 -11.404 15.071 1.00 69.63 109 A 1 ATOM 841 N N . LEU A 0 110 . 11.562 -9.280 17.431 1.00 74.62 110 A 1 ATOM 842 C CA . LEU A 0 110 . 12.499 -8.372 18.109 1.00 74.62 110 A 1 ATOM 843 C C . LEU A 0 110 . 11.916 -7.827 19.422 1.00 74.62 110 A 1 ATOM 844 C CB . LEU A 0 110 . 12.861 -7.211 17.163 1.00 74.62 110 A 1 ATOM 845 O O . LEU A 0 110 . 12.629 -7.637 20.414 1.00 74.62 110 A 1 ATOM 846 C CG . LEU A 0 110 . 13.695 -7.613 15.934 1.00 74.62 110 A 1 ATOM 847 C CD1 . LEU A 0 110 . 13.800 -6.429 14.972 1.00 74.62 110 A 1 ATOM 848 C CD2 . LEU A 0 110 . 15.112 -8.039 16.323 1.00 74.62 110 A 1 ATOM 849 N N . ILE A 0 111 . 10.601 -7.604 19.449 1.00 75.03 111 A 1 ATOM 850 C CA . ILE A 0 111 . 9.888 -7.164 20.652 1.00 75.03 111 A 1 ATOM 851 C C . ILE A 0 111 . 9.845 -8.312 21.666 1.00 75.03 111 A 1 ATOM 852 C CB . ILE A 0 111 . 8.481 -6.634 20.298 1.00 75.03 111 A 1 ATOM 853 O O . ILE A 0 111 . 10.172 -8.124 22.834 1.00 75.03 111 A 1 ATOM 854 C CG1 . ILE A 0 111 . 8.578 -5.477 19.272 1.00 75.03 111 A 1 ATOM 855 C CG2 . ILE A 0 111 . 7.765 -6.170 21.580 1.00 75.03 111 A 1 ATOM 856 C CD1 . ILE A 0 111 . 7.222 -4.964 18.776 1.00 75.03 111 A 1 ATOM 857 N N . LEU A 0 112 . 9.531 -9.532 21.222 1.00 75.86 112 A 1 ATOM 858 C CA . LEU A 0 112 . 9.509 -10.696 22.110 1.00 75.86 112 A 1 ATOM 859 C C . LEU A 0 112 . 10.904 -11.035 22.656 1.00 75.86 112 A 1 ATOM 860 C CB . LEU A 0 112 . 8.875 -11.890 21.378 1.00 75.86 112 A 1 ATOM 861 O O . LEU A 0 112 . 11.031 -11.310 23.848 1.00 75.86 112 A 1 ATOM 862 C CG . LEU A 0 112 . 7.363 -11.736 21.121 1.00 75.86 112 A 1 ATOM 863 C CD1 . LEU A 0 112 . 6.883 -12.880 20.227 1.00 75.86 112 A 1 ATOM 864 C CD2 . LEU A 0 112 . 6.545 -11.770 22.416 1.00 75.86 112 A 1 ATOM 865 N N . SER A 0 113 . 11.959 -10.966 21.838 1.00 77.40 113 A 1 ATOM 866 C CA . SER A 0 113 . 13.328 -11.248 22.295 1.00 77.40 113 A 1 ATOM 867 C C . SER A 0 113 . 13.841 -10.220 23.307 1.00 77.40 113 A 1 ATOM 868 C CB . SER A 0 113 . 14.290 -11.341 21.105 1.00 77.40 113 A 1 ATOM 869 O O . SER A 0 113 . 14.527 -10.581 24.267 1.00 77.40 113 A 1 ATOM 870 O OG . SER A 0 113 . 14.379 -10.125 20.386 1.00 77.40 113 A 1 ATOM 871 N N . SER A 0 114 . 13.500 -8.940 23.123 1.00 76.39 114 A 1 ATOM 872 C CA . SER A 0 114 . 13.852 -7.891 24.088 1.00 76.39 114 A 1 ATOM 873 C C . SER A 0 114 . 13.075 -8.049 25.397 1.00 76.39 114 A 1 ATOM 874 C CB . SER A 0 114 . 13.686 -6.490 23.491 1.00 76.39 114 A 1 ATOM 875 O O . SER A 0 114 . 13.687 -8.004 26.463 1.00 76.39 114 A 1 ATOM 876 O OG . SER A 0 114 . 12.401 -6.294 22.948 1.00 76.39 114 A 1 ATOM 877 N N . LEU A 0 115 . 11.774 -8.358 25.342 1.00 75.92 115 A 1 ATOM 878 C CA . LEU A 0 115 . 10.974 -8.656 26.537 1.00 75.92 115 A 1 ATOM 879 C C . LEU A 0 115 . 11.530 -9.856 27.321 1.00 75.92 115 A 1 ATOM 880 C CB . LEU A 0 115 . 9.507 -8.891 26.135 1.00 75.92 115 A 1 ATOM 881 O O . LEU A 0 115 . 11.690 -9.762 28.539 1.00 75.92 115 A 1 ATOM 882 C CG . LEU A 0 115 . 8.741 -7.611 25.749 1.00 75.92 115 A 1 ATOM 883 C CD1 . LEU A 0 115 . 7.397 -7.989 25.126 1.00 75.92 115 A 1 ATOM 884 C CD2 . LEU A 0 115 . 8.465 -6.722 26.965 1.00 75.92 115 A 1 ATOM 885 N N . PHE A 0 116 . 11.907 -10.944 26.637 1.00 76.21 116 A 1 ATOM 886 C CA . PHE A 0 116 . 12.528 -12.118 27.268 1.00 76.21 116 A 1 ATOM 887 C C . PHE A 0 116 . 13.876 -11.814 27.929 1.00 76.21 116 A 1 ATOM 888 C CB . PHE A 0 116 . 12.704 -13.246 26.237 1.00 76.21 116 A 1 ATOM 889 O O . PHE A 0 116 . 14.232 -12.464 28.907 1.00 76.21 116 A 1 ATOM 890 C CG . PHE A 0 116 . 11.656 -14.329 26.362 1.00 76.21 116 A 1 ATOM 891 C CD1 . PHE A 0 116 . 11.829 -15.360 27.305 1.00 76.21 116 A 1 ATOM 892 C CD2 . PHE A 0 116 . 10.501 -14.301 25.560 1.00 76.21 116 A 1 ATOM 893 C CE1 . PHE A 0 116 . 10.856 -16.366 27.437 1.00 76.21 116 A 1 ATOM 894 C CE2 . PHE A 0 116 . 9.528 -15.306 25.692 1.00 76.21 116 A 1 ATOM 895 C CZ . PHE A 0 116 . 9.706 -16.340 26.629 1.00 76.21 116 A 1 ATOM 896 N N . SER A 0 117 . 14.618 -10.830 27.419 1.00 77.36 117 A 1 ATOM 897 C CA . SER A 0 117 . 15.914 -10.429 27.980 1.00 77.36 117 A 1 ATOM 898 C C . SER A 0 117 . 15.767 -9.497 29.190 1.00 77.36 117 A 1 ATOM 899 C CB . SER A 0 117 . 16.763 -9.764 26.892 1.00 77.36 117 A 1 ATOM 900 O O . SER A 0 117 . 16.605 -9.519 30.090 1.00 77.36 117 A 1 ATOM 901 O OG . SER A 0 117 . 16.971 -10.646 25.802 1.00 77.36 117 A 1 ATOM 902 N N . ILE A 0 118 . 14.697 -8.695 29.245 1.00 78.49 118 A 1 ATOM 903 C CA . ILE A 0 118 . 14.453 -7.717 30.320 1.00 78.49 118 A 1 ATOM 904 C C . ILE A 0 118 . 13.731 -8.352 31.521 1.00 78.49 118 A 1 ATOM 905 C CB . ILE A 0 118 . 13.697 -6.490 29.757 1.00 78.49 118 A 1 ATOM 906 O O . ILE A 0 118 . 14.028 -8.008 32.665 1.00 78.49 118 A 1 ATOM 907 C CG1 . ILE A 0 118 . 14.523 -5.768 28.664 1.00 78.49 118 A 1 ATOM 908 C CG2 . ILE A 0 118 . 13.377 -5.483 30.878 1.00 78.49 118 A 1 ATOM 909 C CD1 . ILE A 0 118 . 13.672 -4.865 27.760 1.00 78.49 118 A 1 ATOM 910 N N . LEU A 0 119 . 12.828 -9.312 31.294 1.00 75.67 119 A 1 ATOM 911 C CA . LEU A 0 119 . 12.089 -10.011 32.360 1.00 75.67 119 A 1 ATOM 912 C C . LEU A 0 119 . 13.001 -10.600 33.469 1.00 75.67 119 A 1 ATOM 913 C CB . LEU A 0 119 . 11.171 -11.074 31.714 1.00 75.67 119 A 1 ATOM 914 O O . LEU A 0 119 . 12.725 -10.345 34.644 1.00 75.67 119 A 1 ATOM 915 C CG . LEU A 0 119 . 9.805 -10.516 31.278 1.00 75.67 119 A 1 ATOM 916 C CD1 . LEU A 0 119 . 9.185 -11.388 30.185 1.00 75.67 119 A 1 ATOM 917 C CD2 . LEU A 0 119 . 8.831 -10.484 32.458 1.00 75.67 119 A 1 ATOM 918 N N . PRO A 0 120 . 14.115 -11.298 33.158 1.00 70.73 120 A 1 ATOM 919 C CA . PRO A 0 120 . 15.046 -11.817 34.165 1.00 70.73 120 A 1 ATOM 920 C C . PRO A 0 120 . 15.873 -10.735 34.873 1.00 70.73 120 A 1 ATOM 921 C CB . PRO A 0 120 . 15.991 -12.768 33.416 1.00 70.73 120 A 1 ATOM 922 O O . PRO A 0 120 . 16.370 -10.957 35.977 1.00 70.73 120 A 1 ATOM 923 C CG . PRO A 0 120 . 15.289 -13.062 32.096 1.00 70.73 120 A 1 ATOM 924 C CD . PRO A 0 120 . 14.489 -11.794 31.849 1.00 70.73 120 A 1 ATOM 925 N N . LEU A 0 121 . 16.079 -9.577 34.237 1.00 72.84 121 A 1 ATOM 926 C CA . LEU A 0 121 . 16.788 -8.450 34.851 1.00 72.84 121 A 1 ATOM 927 C C . LEU A 0 121 . 15.905 -7.773 35.900 1.00 72.84 121 A 1 ATOM 928 C CB . LEU A 0 121 . 17.235 -7.451 33.768 1.00 72.84 121 A 1 ATOM 929 O O . LEU A 0 121 . 16.377 -7.464 36.991 1.00 72.84 121 A 1 ATOM 930 C CG . LEU A 0 121 . 18.445 -7.925 32.946 1.00 72.84 121 A 1 ATOM 931 C CD1 . LEU A 0 121 . 18.583 -7.079 31.681 1.00 72.84 121 A 1 ATOM 932 C CD2 . LEU A 0 121 . 19.746 -7.792 33.745 1.00 72.84 121 A 1 ATOM 933 N N . LEU A 0 122 . 14.613 -7.616 35.606 1.00 68.37 122 A 1 ATOM 934 C CA . LEU A 0 122 . 13.648 -7.072 36.560 1.00 68.37 122 A 1 ATOM 935 C C . LEU A 0 122 . 13.432 -8.014 37.749 1.00 68.37 122 A 1 ATOM 936 C CB . LEU A 0 122 . 12.331 -6.760 35.834 1.00 68.37 122 A 1 ATOM 937 O O . LEU A 0 122 . 13.350 -7.544 38.880 1.00 68.37 122 A 1 ATOM 938 C CG . LEU A 0 122 . 12.440 -5.624 34.800 1.00 68.37 122 A 1 ATOM 939 C CD1 . LEU A 0 122 . 11.112 -5.491 34.055 1.00 68.37 122 A 1 ATOM 940 C CD2 . LEU A 0 122 . 12.766 -4.273 35.443 1.00 68.37 122 A 1 ATOM 941 N N . SER A 0 123 . 13.442 -9.335 37.536 1.00 68.38 123 A 1 ATOM 942 C CA . SER A 0 123 . 13.347 -10.306 38.636 1.00 68.38 123 A 1 ATOM 943 C C . SER A 0 123 . 14.588 -10.366 39.533 1.00 68.38 123 A 1 ATOM 944 C CB . SER A 0 123 . 13.036 -11.707 38.102 1.00 68.38 123 A 1 ATOM 945 O O . SER A 0 123 . 14.567 -11.066 40.535 1.00 68.38 123 A 1 ATOM 946 O OG . SER A 0 123 . 14.153 -12.271 37.441 1.00 68.38 123 A 1 ATOM 947 N N . ARG A 0 124 . 15.697 -9.710 39.164 1.00 68.80 124 A 1 ATOM 948 C CA . ARG A 0 124 . 16.868 -9.563 40.046 1.00 68.80 124 A 1 ATOM 949 C C . ARG A 0 124 . 16.784 -8.324 40.935 1.00 68.80 124 A 1 ATOM 950 C CB . ARG A 0 124 . 18.163 -9.551 39.223 1.00 68.80 124 A 1 ATOM 951 O O . ARG A 0 124 . 17.580 -8.214 41.862 1.00 68.80 124 A 1 ATOM 952 C CG . ARG A 0 124 . 18.538 -10.947 38.717 1.00 68.80 124 A 1 ATOM 953 C CD . ARG A 0 124 . 19.800 -10.852 37.855 1.00 68.80 124 A 1 ATOM 954 N NE . ARG A 0 124 . 20.200 -12.173 37.335 1.00 68.80 124 A 1 ATOM 955 N NH1 . ARG A 0 124 . 21.922 -12.625 38.794 1.00 68.80 124 A 1 ATOM 956 N NH2 . ARG A 0 124 . 21.429 -14.080 37.179 1.00 68.80 124 A 1 ATOM 957 C CZ . ARG A 0 124 . 21.178 -12.946 37.772 1.00 68.80 124 A 1 ATOM 958 N N . TYR A 0 125 . 15.875 -7.396 40.638 1.00 64.50 125 A 1 ATOM 959 C CA . TYR A 0 125 . 15.717 -6.148 41.386 1.00 64.50 125 A 1 ATOM 960 C C . TYR A 0 125 . 14.577 -6.201 42.423 1.00 64.50 125 A 1 ATOM 961 C CB . TYR A 0 125 . 15.571 -4.987 40.386 1.00 64.50 125 A 1 ATOM 962 O O . TYR A 0 125 . 14.501 -5.317 43.272 1.00 64.50 125 A 1 ATOM 963 C CG . TYR A 0 125 . 16.250 -3.709 40.842 1.00 64.50 125 A 1 ATOM 964 C CD1 . TYR A 0 125 . 15.525 -2.733 41.550 1.00 64.50 125 A 1 ATOM 965 C CD2 . TYR A 0 125 . 17.621 -3.511 40.578 1.00 64.50 125 A 1 ATOM 966 C CE1 . TYR A 0 125 . 16.164 -1.556 41.984 1.00 64.50 125 A 1 ATOM 967 C CE2 . TYR A 0 125 . 18.266 -2.338 41.015 1.00 64.50 125 A 1 ATOM 968 O OH . TYR A 0 125 . 18.149 -0.223 42.151 1.00 64.50 125 A 1 ATOM 969 C CZ . TYR A 0 125 . 17.535 -1.357 41.720 1.00 64.50 125 A 1 ATOM 970 N N . PHE A 0 126 . 13.725 -7.235 42.379 1.00 52.47 126 A 1 ATOM 971 C CA . PHE A 0 126 . 12.621 -7.510 43.315 1.00 52.47 126 A 1 ATOM 972 C C . PHE A 0 126 . 12.768 -8.889 43.964 1.00 52.47 126 A 1 ATOM 973 C CB . PHE A 0 126 . 11.283 -7.446 42.565 1.00 52.47 126 A 1 ATOM 974 O O . PHE A 0 126 . 12.231 -9.076 45.083 1.00 52.47 126 A 1 ATOM 975 C CG . PHE A 0 126 . 10.845 -6.061 42.145 1.00 52.47 126 A 1 ATOM 976 C CD1 . PHE A 0 126 . 10.208 -5.221 43.076 1.00 52.47 126 A 1 ATOM 977 C CD2 . PHE A 0 126 . 11.045 -5.618 40.826 1.00 52.47 126 A 1 ATOM 978 C CE1 . PHE A 0 126 . 9.763 -3.945 42.687 1.00 52.47 126 A 1 ATOM 979 C CE2 . PHE A 0 126 . 10.603 -4.341 40.435 1.00 52.47 126 A 1 ATOM 980 C CZ . PHE A 0 126 . 9.960 -3.506 41.366 1.00 52.47 126 A 1 ATOM 981 O OXT . PHE A 0 126 . 13.343 -9.762 43.282 1.00 52.47 126 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 81.98 # loop_ _atom_type.symbol C N O S #