data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 PRO 0 3 THR 0 4 GLU 0 5 LYS 0 6 GLU 0 7 ILE 0 8 GLY 0 9 LEU 0 10 ALA 0 11 ILE 0 12 TYR 0 13 LEU 0 14 GLU 0 15 SER 0 16 LEU 0 17 ASN 0 18 ILE 0 19 GLY 0 20 VAL 0 21 CYS 0 22 CYS 0 23 LEU 0 24 LEU 0 25 GLY 0 26 ILE 0 27 ARG 0 28 THR 0 29 GLN 0 30 GLY 0 31 SER 0 32 SER 0 33 GLU 0 34 VAL 0 35 ILE 0 36 GLN 0 37 ALA 0 38 ARG 0 39 SER 0 40 PRO 0 41 HIS 0 42 PHE 0 43 GLU 0 44 SER 0 45 LEU 0 46 PHE 0 47 ARG 0 48 MET 0 49 ARG 0 50 LEU 0 51 SER 0 52 GLY 0 53 HIS 0 54 SER 0 55 VAL 0 56 LEU 0 57 PHE 0 58 PRO 0 59 SER 0 60 GLY 0 61 PHE 0 62 ALA 0 63 GLY 0 64 VAL 0 65 ASP 0 66 VAL 0 67 PRO 0 68 LEU 0 69 SER 0 70 SER 0 71 ARG 0 72 ALA 0 73 GLU 0 74 ALA 0 75 GLU 0 76 LEU 0 77 ALA 0 78 ASP 0 79 GLY 0 80 ILE 0 81 PRO 0 82 ILE 0 83 ASN 0 84 LEU 0 85 ARG 0 86 LEU 0 87 CYS 0 88 ALA 0 89 VAL 0 90 ARG 0 91 LEU 0 92 GLU 0 93 SER 0 94 SER 0 95 VAL 0 96 LYS 0 97 VAL 0 98 ARG 0 99 ARG 0 100 ASN 0 101 LEU 0 102 CYS 0 103 GLY 0 104 GLU 0 105 ARG 0 106 CYS 0 107 PHE 0 108 LEU 0 109 ALA 0 110 ILE 0 111 SER 0 112 ALA 0 113 TYR 0 114 THR 0 115 PRO 0 116 THR 0 117 GLY 0 118 CYS 0 119 CYS 0 120 GLN 0 121 ASP 0 122 SER 0 123 THR 0 124 LYS 0 125 ASP 0 126 ASP 0 127 LEU # 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 . 14.878 3.493 11.927 1.00 73.06 1 A 1 ATOM 2 C CA . MET A 0 1 . 14.208 4.695 12.478 1.00 73.06 1 A 1 ATOM 3 C C . MET A 0 1 . 13.603 5.450 11.312 1.00 73.06 1 A 1 ATOM 4 C CB . MET A 0 1 . 15.183 5.621 13.227 1.00 73.06 1 A 1 ATOM 5 O O . MET A 0 1 . 14.287 5.504 10.294 1.00 73.06 1 A 1 ATOM 6 C CG . MET A 0 1 . 15.549 5.078 14.610 1.00 73.06 1 A 1 ATOM 7 S SD . MET A 0 1 . 14.121 4.936 15.716 1.00 73.06 1 A 1 ATOM 8 C CE . MET A 0 1 . 14.925 4.278 17.202 1.00 73.06 1 A 1 ATOM 9 N N . PRO A 0 2 . 12.371 5.973 11.428 1.00 77.97 2 A 1 ATOM 10 C CA . PRO A 0 2 . 11.730 6.665 10.322 1.00 77.97 2 A 1 ATOM 11 C C . PRO A 0 2 . 12.445 7.975 9.979 1.00 77.97 2 A 1 ATOM 12 C CB . PRO A 0 2 . 10.273 6.883 10.741 1.00 77.97 2 A 1 ATOM 13 O O . PRO A 0 2 . 12.946 8.670 10.867 1.00 77.97 2 A 1 ATOM 14 C CG . PRO A 0 2 . 10.372 6.956 12.264 1.00 77.97 2 A 1 ATOM 15 C CD . PRO A 0 2 . 11.492 5.965 12.590 1.00 77.97 2 A 1 ATOM 16 N N . THR A 0 3 . 12.495 8.308 8.694 1.00 83.55 3 A 1 ATOM 17 C CA . THR A 0 3 . 13.029 9.581 8.201 1.00 83.55 3 A 1 ATOM 18 C C . THR A 0 3 . 12.019 10.715 8.390 1.00 83.55 3 A 1 ATOM 19 C CB . THR A 0 3 . 13.488 9.492 6.734 1.00 83.55 3 A 1 ATOM 20 O O . THR A 0 3 . 10.817 10.489 8.511 1.00 83.55 3 A 1 ATOM 21 C CG2 . THR A 0 3 . 14.522 8.394 6.494 1.00 83.55 3 A 1 ATOM 22 O OG1 . THR A 0 3 . 12.422 9.292 5.839 1.00 83.55 3 A 1 ATOM 23 N N . GLU A 0 4 . 12.483 11.968 8.369 1.00 84.81 4 A 1 ATOM 24 C CA . GLU A 0 4 . 11.598 13.145 8.434 1.00 84.81 4 A 1 ATOM 25 C C . GLU A 0 4 . 10.541 13.134 7.317 1.00 84.81 4 A 1 ATOM 26 C CB . GLU A 0 4 . 12.470 14.404 8.341 1.00 84.81 4 A 1 ATOM 27 O O . GLU A 0 4 . 9.390 13.508 7.534 1.00 84.81 4 A 1 ATOM 28 C CG . GLU A 0 4 . 11.691 15.703 8.599 1.00 84.81 4 A 1 ATOM 29 C CD . GLU A 0 4 . 12.570 16.958 8.468 1.00 84.81 4 A 1 ATOM 30 O OE1 . GLU A 0 4 . 12.009 18.064 8.624 1.00 84.81 4 A 1 ATOM 31 O OE2 . GLU A 0 4 . 13.781 16.807 8.182 1.00 84.81 4 A 1 ATOM 32 N N . LYS A 0 5 . 10.907 12.617 6.136 1.00 83.70 5 A 1 ATOM 33 C CA . LYS A 0 5 . 9.988 12.448 5.004 1.00 83.70 5 A 1 ATOM 34 C C . LYS A 0 5 . 8.882 11.441 5.309 1.00 83.70 5 A 1 ATOM 35 C CB . LYS A 0 5 . 10.759 12.012 3.753 1.00 83.70 5 A 1 ATOM 36 O O . LYS A 0 5 . 7.729 11.705 4.990 1.00 83.70 5 A 1 ATOM 37 C CG . LYS A 0 5 . 11.688 13.117 3.237 1.00 83.70 5 A 1 ATOM 38 C CD . LYS A 0 5 . 12.393 12.648 1.962 1.00 83.70 5 A 1 ATOM 39 C CE . LYS A 0 5 . 13.302 13.764 1.441 1.00 83.70 5 A 1 ATOM 40 N NZ . LYS A 0 5 . 14.042 13.324 0.234 1.00 83.70 5 A 1 ATOM 41 N N . GLU A 0 6 . 9.218 10.316 5.931 1.00 83.98 6 A 1 ATOM 42 C CA . GLU A 0 6 . 8.248 9.281 6.313 1.00 83.98 6 A 1 ATOM 43 C C . GLU A 0 6 . 7.320 9.770 7.429 1.00 83.98 6 A 1 ATOM 44 C CB . GLU A 0 6 . 9.007 8.034 6.773 1.00 83.98 6 A 1 ATOM 45 O O . GLU A 0 6 . 6.112 9.555 7.372 1.00 83.98 6 A 1 ATOM 46 C CG . GLU A 0 6 . 9.727 7.325 5.610 1.00 83.98 6 A 1 ATOM 47 C CD . GLU A 0 6 . 10.996 6.611 6.072 1.00 83.98 6 A 1 ATOM 48 O OE1 . GLU A 0 6 . 11.940 6.529 5.260 1.00 83.98 6 A 1 ATOM 49 O OE2 . GLU A 0 6 . 11.135 6.345 7.281 1.00 83.98 6 A 1 ATOM 50 N N . ILE A 0 7 . 7.850 10.500 8.415 1.00 86.17 7 A 1 ATOM 51 C CA . ILE A 0 7 . 7.030 11.113 9.469 1.00 86.17 7 A 1 ATOM 52 C C . ILE A 0 7 . 6.075 12.150 8.862 1.00 86.17 7 A 1 ATOM 53 C CB . ILE A 0 7 . 7.921 11.723 10.574 1.00 86.17 7 A 1 ATOM 54 O O . ILE A 0 7 . 4.876 12.112 9.134 1.00 86.17 7 A 1 ATOM 55 C CG1 . ILE A 0 7 . 8.760 10.624 11.265 1.00 86.17 7 A 1 ATOM 56 C CG2 . ILE A 0 7 . 7.056 12.460 11.616 1.00 86.17 7 A 1 ATOM 57 C CD1 . ILE A 0 7 . 9.862 11.175 12.179 1.00 86.17 7 A 1 ATOM 58 N N . GLY A 0 8 . 6.578 13.043 8.004 1.00 88.94 8 A 1 ATOM 59 C CA . GLY A 0 8 . 5.758 14.048 7.324 1.00 88.94 8 A 1 ATOM 60 C C . GLY A 0 8 . 4.673 13.426 6.441 1.00 88.94 8 A 1 ATOM 61 O O . GLY A 0 8 . 3.531 13.883 6.448 1.00 88.94 8 A 1 ATOM 62 N N . LEU A 0 9 . 5.000 12.341 5.738 1.00 88.26 9 A 1 ATOM 63 C CA . LEU A 0 9 . 4.040 11.567 4.958 1.00 88.26 9 A 1 ATOM 64 C C . LEU A 0 9 . 2.960 10.931 5.845 1.00 88.26 9 A 1 ATOM 65 C CB . LEU A 0 9 . 4.821 10.520 4.154 1.00 88.26 9 A 1 ATOM 66 O O . LEU A 0 9 . 1.785 11.012 5.498 1.00 88.26 9 A 1 ATOM 67 C CG . LEU A 0 9 . 3.944 9.532 3.373 1.00 88.26 9 A 1 ATOM 68 C CD1 . LEU A 0 9 . 3.149 10.216 2.256 1.00 88.26 9 A 1 ATOM 69 C CD2 . LEU A 0 9 . 4.853 8.464 2.779 1.00 88.26 9 A 1 ATOM 70 N N . ALA A 0 10 . 3.323 10.341 6.989 1.00 88.33 10 A 1 ATOM 71 C CA . ALA A 0 10 . 2.352 9.775 7.927 1.00 88.33 10 A 1 ATOM 72 C C . ALA A 0 10 . 1.373 10.844 8.444 1.00 88.33 10 A 1 ATOM 73 C CB . ALA A 0 10 . 3.105 9.084 9.071 1.00 88.33 10 A 1 ATOM 74 O O . ALA A 0 10 . 0.162 10.638 8.397 1.00 88.33 10 A 1 ATOM 75 N N . ILE A 0 11 . 1.887 12.017 8.839 1.00 89.95 11 A 1 ATOM 76 C CA . ILE A 0 11 . 1.066 13.166 9.258 1.00 89.95 11 A 1 ATOM 77 C C . ILE A 0 11 . 0.126 13.608 8.125 1.00 89.95 11 A 1 ATOM 78 C CB . ILE A 0 11 . 1.977 14.337 9.706 1.00 89.95 11 A 1 ATOM 79 O O . ILE A 0 11 . -1.053 13.879 8.355 1.00 89.95 11 A 1 ATOM 80 C CG1 . ILE A 0 11 . 2.785 13.974 10.974 1.00 89.95 11 A 1 ATOM 81 C CG2 . ILE A 0 11 . 1.155 15.614 9.975 1.00 89.95 11 A 1 ATOM 82 C CD1 . ILE A 0 11 . 3.941 14.943 11.257 1.00 89.95 11 A 1 ATOM 83 N N . TYR A 0 12 . 0.629 13.676 6.890 1.00 91.74 12 A 1 ATOM 84 C CA . TYR A 0 12 . -0.161 14.095 5.735 1.00 91.74 12 A 1 ATOM 85 C C . TYR A 0 12 . -1.298 13.115 5.421 1.00 91.74 12 A 1 ATOM 86 C CB . TYR A 0 12 . 0.760 14.275 4.525 1.00 91.74 12 A 1 ATOM 87 O O . TYR A 0 12 . -2.447 13.537 5.287 1.00 91.74 12 A 1 ATOM 88 C CG . TYR A 0 12 . 0.024 14.714 3.276 1.00 91.74 12 A 1 ATOM 89 C CD1 . TYR A 0 12 . -0.164 13.816 2.207 1.00 91.74 12 A 1 ATOM 90 C CD2 . TYR A 0 12 . -0.492 16.021 3.198 1.00 91.74 12 A 1 ATOM 91 C CE1 . TYR A 0 12 . -0.838 14.239 1.045 1.00 91.74 12 A 1 ATOM 92 C CE2 . TYR A 0 12 . -1.171 16.446 2.042 1.00 91.74 12 A 1 ATOM 93 O OH . TYR A 0 12 . -1.979 15.966 -0.165 1.00 91.74 12 A 1 ATOM 94 C CZ . TYR A 0 12 . -1.331 15.557 0.957 1.00 91.74 12 A 1 ATOM 95 N N . LEU A 0 13 . -1.009 11.813 5.352 1.00 91.20 13 A 1 ATOM 96 C CA . LEU A 0 13 . -2.022 10.785 5.093 1.00 91.20 13 A 1 ATOM 97 C C . LEU A 0 13 . -3.109 10.779 6.165 1.00 91.20 13 A 1 ATOM 98 C CB . LEU A 0 13 . -1.347 9.407 5.026 1.00 91.20 13 A 1 ATOM 99 O O . LEU A 0 13 . -4.295 10.675 5.851 1.00 91.20 13 A 1 ATOM 100 C CG . LEU A 0 13 . -0.450 9.205 3.795 1.00 91.20 13 A 1 ATOM 101 C CD1 . LEU A 0 13 . 0.227 7.840 3.892 1.00 91.20 13 A 1 ATOM 102 C CD2 . LEU A 0 13 . -1.235 9.260 2.483 1.00 91.20 13 A 1 ATOM 103 N N . GLU A 0 14 . -2.715 10.956 7.419 1.00 88.93 14 A 1 ATOM 104 C CA . GLU A 0 14 . -3.647 11.065 8.529 1.00 88.93 14 A 1 ATOM 105 C C . GLU A 0 14 . -4.533 12.307 8.444 1.00 88.93 14 A 1 ATOM 106 C CB . GLU A 0 14 . -2.827 11.080 9.803 1.00 88.93 14 A 1 ATOM 107 O O . GLU A 0 14 . -5.745 12.203 8.628 1.00 88.93 14 A 1 ATOM 108 C CG . GLU A 0 14 . -3.732 11.207 11.020 1.00 88.93 14 A 1 ATOM 109 C CD . GLU A 0 14 . -2.931 10.839 12.245 1.00 88.93 14 A 1 ATOM 110 O OE1 . GLU A 0 14 . -3.508 10.122 13.093 1.00 88.93 14 A 1 ATOM 111 O OE2 . GLU A 0 14 . -1.729 11.192 12.307 1.00 88.93 14 A 1 ATOM 112 N N . SER A 0 15 . -3.962 13.462 8.088 1.00 90.80 15 A 1 ATOM 113 C CA . SER A 0 15 . -4.731 14.699 7.900 1.00 90.80 15 A 1 ATOM 114 C C . SER A 0 15 . -5.825 14.563 6.832 1.00 90.80 15 A 1 ATOM 115 C CB . SER A 0 15 . -3.787 15.860 7.566 1.00 90.80 15 A 1 ATOM 116 O O . SER A 0 15 . -6.840 15.256 6.887 1.00 90.80 15 A 1 ATOM 117 O OG . SER A 0 15 . -3.361 15.865 6.215 1.00 90.80 15 A 1 ATOM 118 N N . LEU A 0 16 . -5.637 13.635 5.889 1.00 91.72 16 A 1 ATOM 119 C CA . LEU A 0 16 . -6.579 13.309 4.822 1.00 91.72 16 A 1 ATOM 120 C C . LEU A 0 16 . -7.455 12.085 5.127 1.00 91.72 16 A 1 ATOM 121 C CB . LEU A 0 16 . -5.786 13.115 3.520 1.00 91.72 16 A 1 ATOM 122 O O . LEU A 0 16 . -8.270 11.702 4.287 1.00 91.72 16 A 1 ATOM 123 C CG . LEU A 0 16 . -5.011 14.351 3.036 1.00 91.72 16 A 1 ATOM 124 C CD1 . LEU A 0 16 . -4.306 13.988 1.733 1.00 91.72 16 A 1 ATOM 125 C CD2 . LEU A 0 16 . -5.924 15.549 2.770 1.00 91.72 16 A 1 ATOM 126 N N . ASN A 0 17 . -7.305 11.466 6.303 1.00 90.15 17 A 1 ATOM 127 C CA . ASN A 0 17 . -7.973 10.220 6.684 1.00 90.15 17 A 1 ATOM 128 C C . ASN A 0 17 . -7.757 9.080 5.663 1.00 90.15 17 A 1 ATOM 129 C CB . ASN A 0 17 . -9.446 10.530 7.004 1.00 90.15 17 A 1 ATOM 130 O O . ASN A 0 17 . -8.666 8.305 5.354 1.00 90.15 17 A 1 ATOM 131 C CG . ASN A 0 17 . -10.161 9.387 7.694 1.00 90.15 17 A 1 ATOM 132 N ND2 . ASN A 0 17 . -11.450 9.266 7.481 1.00 90.15 17 A 1 ATOM 133 O OD1 . ASN A 0 17 . -9.611 8.611 8.458 1.00 90.15 17 A 1 ATOM 134 N N . ILE A 0 18 . -6.544 8.985 5.113 1.00 90.46 18 A 1 ATOM 135 C CA . ILE A 0 18 . -6.153 7.938 4.166 1.00 90.46 18 A 1 ATOM 136 C C . ILE A 0 18 . -5.551 6.767 4.944 1.00 90.46 18 A 1 ATOM 137 C CB . ILE A 0 18 . -5.200 8.497 3.087 1.00 90.46 18 A 1 ATOM 138 O O . ILE A 0 18 . -4.496 6.887 5.560 1.00 90.46 18 A 1 ATOM 139 C CG1 . ILE A 0 18 . -5.937 9.548 2.225 1.00 90.46 18 A 1 ATOM 140 C CG2 . ILE A 0 18 . -4.671 7.354 2.200 1.00 90.46 18 A 1 ATOM 141 C CD1 . ILE A 0 18 . -5.033 10.295 1.236 1.00 90.46 18 A 1 ATOM 142 N N . GLY A 0 19 . -6.215 5.610 4.898 1.00 87.62 19 A 1 ATOM 143 C CA . GLY A 0 19 . -5.739 4.395 5.569 1.00 87.62 19 A 1 ATOM 144 C C . GLY A 0 19 . -4.711 3.583 4.774 1.00 87.62 19 A 1 ATOM 145 O O . GLY A 0 19 . -3.927 2.858 5.376 1.00 87.62 19 A 1 ATOM 146 N N . VAL A 0 20 . -4.710 3.703 3.445 1.00 88.84 20 A 1 ATOM 147 C CA . VAL A 0 20 . -3.822 2.973 2.526 1.00 88.84 20 A 1 ATOM 148 C C . VAL A 0 20 . -3.362 3.933 1.443 1.00 88.84 20 A 1 ATOM 149 C CB . VAL A 0 20 . -4.543 1.794 1.839 1.00 88.84 20 A 1 ATOM 150 O O . VAL A 0 20 . -4.193 4.576 0.802 1.00 88.84 20 A 1 ATOM 151 C CG1 . VAL A 0 20 . -3.612 1.009 0.900 1.00 88.84 20 A 1 ATOM 152 C CG2 . VAL A 0 20 . -5.152 0.808 2.829 1.00 88.84 20 A 1 ATOM 153 N N . CYS A 0 21 . -2.059 3.998 1.194 1.00 88.02 21 A 1 ATOM 154 C CA . CYS A 0 21 . -1.500 4.712 0.052 1.00 88.02 21 A 1 ATOM 155 C C . CYS A 0 21 . -0.544 3.789 -0.707 1.00 88.02 21 A 1 ATOM 156 C CB . CYS A 0 21 . -0.826 5.991 0.560 1.00 88.02 21 A 1 ATOM 157 O O . CYS A 0 21 . 0.148 2.990 -0.092 1.00 88.02 21 A 1 ATOM 158 S SG . CYS A 0 21 . -0.418 7.074 -0.837 1.00 88.02 21 A 1 ATOM 159 N N . CYS A 0 22 . -0.509 3.879 -2.035 1.00 86.75 22 A 1 ATOM 160 C CA . CYS A 0 22 . 0.472 3.173 -2.858 1.00 86.75 22 A 1 ATOM 161 C C . CYS A 0 22 . 1.402 4.207 -3.487 1.00 86.75 22 A 1 ATOM 162 C CB . CYS A 0 22 . -0.243 2.338 -3.925 1.00 86.75 22 A 1 ATOM 163 O O . CYS A 0 22 . 0.973 5.003 -4.323 1.00 86.75 22 A 1 ATOM 164 S SG . CYS A 0 22 . -1.191 0.991 -3.163 1.00 86.75 22 A 1 ATOM 165 N N . LEU A 0 23 . 2.667 4.195 -3.084 1.00 83.98 23 A 1 ATOM 166 C CA . LEU A 0 23 . 3.700 5.103 -3.556 1.00 83.98 23 A 1 ATOM 167 C C . LEU A 0 23 . 4.609 4.365 -4.527 1.00 83.98 23 A 1 ATOM 168 C CB . LEU A 0 23 . 4.490 5.645 -2.359 1.00 83.98 23 A 1 ATOM 169 O O . LEU A 0 23 . 5.324 3.448 -4.145 1.00 83.98 23 A 1 ATOM 170 C CG . LEU A 0 23 . 3.643 6.435 -1.353 1.00 83.98 23 A 1 ATOM 171 C CD1 . LEU A 0 23 . 4.537 6.890 -0.213 1.00 83.98 23 A 1 ATOM 172 C CD2 . LEU A 0 23 . 3.009 7.681 -1.976 1.00 83.98 23 A 1 ATOM 173 N N . LEU A 0 24 . 4.593 4.777 -5.787 1.00 79.58 24 A 1 ATOM 174 C CA . LEU A 0 24 . 5.453 4.227 -6.832 1.00 79.58 24 A 1 ATOM 175 C C . LEU A 0 24 . 6.550 5.235 -7.170 1.00 79.58 24 A 1 ATOM 176 C CB . LEU A 0 24 . 4.610 3.891 -8.073 1.00 79.58 24 A 1 ATOM 177 O O . LEU A 0 24 . 6.364 6.441 -7.002 1.00 79.58 24 A 1 ATOM 178 C CG . LEU A 0 24 . 3.385 2.995 -7.817 1.00 79.58 24 A 1 ATOM 179 C CD1 . LEU A 0 24 . 2.632 2.813 -9.119 1.00 79.58 24 A 1 ATOM 180 C CD2 . LEU A 0 24 . 3.769 1.610 -7.327 1.00 79.58 24 A 1 ATOM 181 N N . GLY A 0 25 . 7.681 4.769 -7.697 1.00 72.92 25 A 1 ATOM 182 C CA . GLY A 0 25 . 8.716 5.689 -8.174 1.00 72.92 25 A 1 ATOM 183 C C . GLY A 0 25 . 9.632 6.234 -7.080 1.00 72.92 25 A 1 ATOM 184 O O . GLY A 0 25 . 10.428 7.136 -7.343 1.00 72.92 25 A 1 ATOM 185 N N . ILE A 0 26 . 9.533 5.724 -5.853 1.00 71.64 26 A 1 ATOM 186 C CA . ILE A 0 26 . 10.312 6.241 -4.728 1.00 71.64 26 A 1 ATOM 187 C C . ILE A 0 26 . 11.768 5.788 -4.828 1.00 71.64 26 A 1 ATOM 188 C CB . ILE A 0 26 . 9.677 5.867 -3.379 1.00 71.64 26 A 1 ATOM 189 O O . ILE A 0 26 . 12.059 4.640 -5.134 1.00 71.64 26 A 1 ATOM 190 C CG1 . ILE A 0 26 . 9.448 4.350 -3.260 1.00 71.64 26 A 1 ATOM 191 C CG2 . ILE A 0 26 . 8.361 6.645 -3.192 1.00 71.64 26 A 1 ATOM 192 C CD1 . ILE A 0 26 . 9.226 3.936 -1.822 1.00 71.64 26 A 1 ATOM 193 N N . ARG A 0 27 . 12.723 6.677 -4.565 1.00 66.83 27 A 1 ATOM 194 C CA . ARG A 0 27 . 14.136 6.285 -4.495 1.00 66.83 27 A 1 ATOM 195 C C . ARG A 0 27 . 14.475 5.913 -3.061 1.00 66.83 27 A 1 ATOM 196 C CB . ARG A 0 27 . 15.045 7.389 -5.039 1.00 66.83 27 A 1 ATOM 197 O O . ARG A 0 27 . 14.674 6.798 -2.232 1.00 66.83 27 A 1 ATOM 198 C CG . ARG A 0 27 . 14.855 7.589 -6.547 1.00 66.83 27 A 1 ATOM 199 C CD . ARG A 0 27 . 15.905 8.584 -7.046 1.00 66.83 27 A 1 ATOM 200 N NE . ARG A 0 27 . 15.726 8.892 -8.474 1.00 66.83 27 A 1 ATOM 201 N NH1 . ARG A 0 27 . 17.633 10.142 -8.730 1.00 66.83 27 A 1 ATOM 202 N NH2 . ARG A 0 27 . 16.277 9.825 -10.473 1.00 66.83 27 A 1 ATOM 203 C CZ . ARG A 0 27 . 16.543 9.615 -9.216 1.00 66.83 27 A 1 ATOM 204 N N . THR A 0 28 . 14.558 4.621 -2.777 1.00 60.76 28 A 1 ATOM 205 C CA . THR A 0 28 . 15.005 4.104 -1.479 1.00 60.76 28 A 1 ATOM 206 C C . THR A 0 28 . 16.378 3.469 -1.639 1.00 60.76 28 A 1 ATOM 207 C CB . THR A 0 28 . 14.006 3.093 -0.903 1.00 60.76 28 A 1 ATOM 208 O O . THR A 0 28 . 16.544 2.559 -2.446 1.00 60.76 28 A 1 ATOM 209 C CG2 . THR A 0 28 . 12.684 3.768 -0.566 1.00 60.76 28 A 1 ATOM 210 O OG1 . THR A 0 28 . 13.740 2.078 -1.840 1.00 60.76 28 A 1 ATOM 211 N N . GLN A 0 29 . 17.368 3.930 -0.871 1.00 58.98 29 A 1 ATOM 212 C CA . GLN A 0 29 . 18.700 3.304 -0.851 1.00 58.98 29 A 1 ATOM 213 C C . GLN A 0 29 . 18.742 2.017 -0.002 1.00 58.98 29 A 1 ATOM 214 C CB . GLN A 0 29 . 19.762 4.313 -0.381 1.00 58.98 29 A 1 ATOM 215 O O . GLN A 0 29 . 19.747 1.307 -0.011 1.00 58.98 29 A 1 ATOM 216 C CG . GLN A 0 29 . 19.945 5.493 -1.352 1.00 58.98 29 A 1 ATOM 217 C CD . GLN A 0 29 . 21.167 6.350 -1.025 1.00 58.98 29 A 1 ATOM 218 N NE2 . GLN A 0 29 . 21.209 7.588 -1.468 1.00 58.98 29 A 1 ATOM 219 O OE1 . GLN A 0 29 . 22.113 5.946 -0.379 1.00 58.98 29 A 1 ATOM 220 N N . GLY A 0 30 . 17.663 1.716 0.726 1.00 55.58 30 A 1 ATOM 221 C CA . GLY A 0 30 . 17.555 0.573 1.631 1.00 55.58 30 A 1 ATOM 222 C C . GLY A 0 30 . 17.049 -0.708 0.968 1.00 55.58 30 A 1 ATOM 223 O O . GLY A 0 30 . 16.491 -0.696 -0.133 1.00 55.58 30 A 1 ATOM 224 N N . SER A 0 31 . 17.261 -1.821 1.671 1.00 56.67 31 A 1 ATOM 225 C CA . SER A 0 31 . 16.608 -3.099 1.379 1.00 56.67 31 A 1 ATOM 226 C C . SER A 0 31 . 15.103 -3.012 1.665 1.00 56.67 31 A 1 ATOM 227 C CB . SER A 0 31 . 17.294 -4.214 2.178 1.00 56.67 31 A 1 ATOM 228 O O . SER A 0 31 . 14.632 -1.994 2.173 1.00 56.67 31 A 1 ATOM 229 O OG . SER A 0 31 . 16.983 -4.196 3.558 1.00 56.67 31 A 1 ATOM 230 N N . SER A 0 32 . 14.329 -4.044 1.309 1.00 62.31 32 A 1 ATOM 231 C CA . SER A 0 32 . 12.913 -4.065 1.678 1.00 62.31 32 A 1 ATOM 232 C C . SER A 0 32 . 12.778 -4.028 3.200 1.00 62.31 32 A 1 ATOM 233 C CB . SER A 0 32 . 12.176 -5.268 1.085 1.00 62.31 32 A 1 ATOM 234 O O . SER A 0 32 . 13.143 -4.975 3.892 1.00 62.31 32 A 1 ATOM 235 O OG . SER A 0 32 . 10.784 -5.157 1.309 1.00 62.31 32 A 1 ATOM 236 N N . GLU A 0 33 . 12.295 -2.903 3.714 1.00 67.56 33 A 1 ATOM 237 C CA . GLU A 0 33 . 12.230 -2.620 5.139 1.00 67.56 33 A 1 ATOM 238 C C . GLU A 0 33 . 10.827 -2.175 5.504 1.00 67.56 33 A 1 ATOM 239 C CB . GLU A 0 33 . 13.277 -1.574 5.558 1.00 67.56 33 A 1 ATOM 240 O O . GLU A 0 33 . 10.145 -1.469 4.756 1.00 67.56 33 A 1 ATOM 241 C CG . GLU A 0 33 . 14.666 -2.218 5.672 1.00 67.56 33 A 1 ATOM 242 C CD . GLU A 0 33 . 15.782 -1.223 6.012 1.00 67.56 33 A 1 ATOM 243 O OE1 . GLU A 0 33 . 16.927 -1.496 5.575 1.00 67.56 33 A 1 ATOM 244 O OE2 . GLU A 0 33 . 15.506 -0.223 6.717 1.00 67.56 33 A 1 ATOM 245 N N . VAL A 0 34 . 10.399 -2.609 6.684 1.00 76.86 34 A 1 ATOM 246 C CA . VAL A 0 34 . 9.128 -2.189 7.241 1.00 76.86 34 A 1 ATOM 247 C C . VAL A 0 34 . 9.394 -1.111 8.278 1.00 76.86 34 A 1 ATOM 248 C CB . VAL A 0 34 . 8.322 -3.371 7.780 1.00 76.86 34 A 1 ATOM 249 O O . VAL A 0 34 . 9.898 -1.400 9.364 1.00 76.86 34 A 1 ATOM 250 C CG1 . VAL A 0 34 . 6.933 -2.852 8.096 1.00 76.86 34 A 1 ATOM 251 C CG2 . VAL A 0 34 . 8.153 -4.496 6.751 1.00 76.86 34 A 1 ATOM 252 N N . ILE A 0 35 . 9.059 0.129 7.938 1.00 81.23 35 A 1 ATOM 253 C CA . ILE A 0 35 . 9.294 1.288 8.790 1.00 81.23 35 A 1 ATOM 254 C C . ILE A 0 35 . 8.000 1.694 9.475 1.00 81.23 35 A 1 ATOM 255 C CB . ILE A 0 35 . 9.950 2.451 8.025 1.00 81.23 35 A 1 ATOM 256 O O . ILE A 0 35 . 6.933 1.747 8.875 1.00 81.23 35 A 1 ATOM 257 C CG1 . ILE A 0 35 . 11.278 1.985 7.386 1.00 81.23 35 A 1 ATOM 258 C CG2 . ILE A 0 35 . 10.169 3.606 9.015 1.00 81.23 35 A 1 ATOM 259 C CD1 . ILE A 0 35 . 12.055 3.093 6.668 1.00 81.23 35 A 1 ATOM 260 N N . GLN A 0 36 . 8.107 1.992 10.760 1.00 84.73 36 A 1 ATOM 261 C CA . GLN A 0 36 . 7.000 2.448 11.572 1.00 84.73 36 A 1 ATOM 262 C C . GLN A 0 36 . 7.157 3.952 11.824 1.00 84.73 36 A 1 ATOM 263 C CB . GLN A 0 36 . 6.991 1.558 12.815 1.00 84.73 36 A 1 ATOM 264 O O . GLN A 0 36 . 8.089 4.379 12.507 1.00 84.73 36 A 1 ATOM 265 C CG . GLN A 0 36 . 5.920 1.984 13.803 1.00 84.73 36 A 1 ATOM 266 C CD . GLN A 0 36 . 5.761 1.017 14.973 1.00 84.73 36 A 1 ATOM 267 N NE2 . GLN A 0 36 . 5.146 1.418 16.064 1.00 84.73 36 A 1 ATOM 268 O OE1 . GLN A 0 36 . 6.182 -0.122 14.949 1.00 84.73 36 A 1 ATOM 269 N N . ALA A 0 37 . 6.249 4.745 11.262 1.00 81.80 37 A 1 ATOM 270 C CA . ALA A 0 37 . 6.189 6.189 11.425 1.00 81.80 37 A 1 ATOM 271 C C . ALA A 0 37 . 5.002 6.543 12.325 1.00 81.80 37 A 1 ATOM 272 C CB . ALA A 0 37 . 6.113 6.851 10.046 1.00 81.80 37 A 1 ATOM 273 O O . ALA A 0 37 . 3.860 6.166 12.058 1.00 81.80 37 A 1 ATOM 274 N N . ARG A 0 38 . 5.281 7.254 13.417 1.00 80.62 38 A 1 ATOM 275 C CA . ARG A 0 38 . 4.254 7.745 14.334 1.00 80.62 38 A 1 ATOM 276 C C . ARG A 0 38 . 4.046 9.229 14.099 1.00 80.62 38 A 1 ATOM 277 C CB . ARG A 0 38 . 4.629 7.429 15.787 1.00 80.62 38 A 1 ATOM 278 O O . ARG A 0 38 . 5.011 9.990 14.052 1.00 80.62 38 A 1 ATOM 279 C CG . ARG A 0 38 . 3.405 7.573 16.701 1.00 80.62 38 A 1 ATOM 280 C CD . ARG A 0 38 . 3.750 7.194 18.143 1.00 80.62 38 A 1 ATOM 281 N NE . ARG A 0 38 . 2.524 7.022 18.940 1.00 80.62 38 A 1 ATOM 282 N NH1 . ARG A 0 38 . 3.507 6.576 20.964 1.00 80.62 38 A 1 ATOM 283 N NH2 . ARG A 0 38 . 1.276 6.609 20.793 1.00 80.62 38 A 1 ATOM 284 C CZ . ARG A 0 38 . 2.440 6.735 20.225 1.00 80.62 38 A 1 ATOM 285 N N . SER A 0 39 . 2.790 9.623 13.990 1.00 71.18 39 A 1 ATOM 286 C CA . SER A 0 39 . 2.410 11.024 13.983 1.00 71.18 39 A 1 ATOM 287 C C . SER A 0 39 . 2.571 11.591 15.403 1.00 71.18 39 A 1 ATOM 288 C CB . SER A 0 39 . 0.970 11.072 13.506 1.00 71.18 39 A 1 ATOM 289 O O . SER A 0 39 . 2.087 10.984 16.351 1.00 71.18 39 A 1 ATOM 290 O OG . SER A 0 39 . 0.554 12.381 13.256 1.00 71.18 39 A 1 ATOM 291 N N . PRO A 0 40 . 3.282 12.706 15.634 1.00 68.56 40 A 1 ATOM 292 C CA . PRO A 0 40 . 3.399 13.275 16.978 1.00 68.56 40 A 1 ATOM 293 C C . PRO A 0 40 . 2.105 13.969 17.429 1.00 68.56 40 A 1 ATOM 294 C CB . PRO A 0 40 . 4.581 14.243 16.898 1.00 68.56 40 A 1 ATOM 295 O O . PRO A 0 40 . 1.865 14.110 18.624 1.00 68.56 40 A 1 ATOM 296 C CG . PRO A 0 40 . 4.628 14.653 15.426 1.00 68.56 40 A 1 ATOM 297 C CD . PRO A 0 40 . 4.082 13.439 14.674 1.00 68.56 40 A 1 ATOM 298 N N . HIS A 0 41 . 1.275 14.405 16.477 1.00 70.13 41 A 1 ATOM 299 C CA . HIS A 0 41 . 0.023 15.116 16.747 1.00 70.13 41 A 1 ATOM 300 C C . HIS A 0 41 . -1.166 14.185 16.961 1.00 70.13 41 A 1 ATOM 301 C CB . HIS A 0 41 . -0.258 16.075 15.588 1.00 70.13 41 A 1 ATOM 302 O O . HIS A 0 41 . -2.196 14.611 17.480 1.00 70.13 41 A 1 ATOM 303 C CG . HIS A 0 41 . 0.725 17.206 15.555 1.00 70.13 41 A 1 ATOM 304 C CD2 . HIS A 0 41 . 1.874 17.273 14.817 1.00 70.13 41 A 1 ATOM 305 N ND1 . HIS A 0 41 . 0.663 18.342 16.325 1.00 70.13 41 A 1 ATOM 306 C CE1 . HIS A 0 41 . 1.755 19.077 16.060 1.00 70.13 41 A 1 ATOM 307 N NE2 . HIS A 0 41 . 2.527 18.462 15.152 1.00 70.13 41 A 1 ATOM 308 N N . PHE A 0 42 . -1.031 12.928 16.562 1.00 64.13 42 A 1 ATOM 309 C CA . PHE A 0 42 . -2.119 11.980 16.581 1.00 64.13 42 A 1 ATOM 310 C C . PHE A 0 42 . -1.616 10.615 17.050 1.00 64.13 42 A 1 ATOM 311 C CB . PHE A 0 42 . -2.685 11.867 15.181 1.00 64.13 42 A 1 ATOM 312 O O . PHE A 0 42 . -0.484 10.223 16.802 1.00 64.13 42 A 1 ATOM 313 C CG . PHE A 0 42 . -3.203 13.115 14.461 1.00 64.13 42 A 1 ATOM 314 C CD1 . PHE A 0 42 . -4.578 13.405 14.481 1.00 64.13 42 A 1 ATOM 315 C CD2 . PHE A 0 42 . -2.355 13.934 13.688 1.00 64.13 42 A 1 ATOM 316 C CE1 . PHE A 0 42 . -5.089 14.501 13.761 1.00 64.13 42 A 1 ATOM 317 C CE2 . PHE A 0 42 . -2.859 15.020 12.952 1.00 64.13 42 A 1 ATOM 318 C CZ . PHE A 0 42 . -4.231 15.308 12.993 1.00 64.13 42 A 1 ATOM 319 N N . GLU A 0 43 . -2.470 9.851 17.721 1.00 69.10 43 A 1 ATOM 320 C CA . GLU A 0 43 . -2.106 8.535 18.261 1.00 69.10 43 A 1 ATOM 321 C C . GLU A 0 43 . -1.814 7.486 17.173 1.00 69.10 43 A 1 ATOM 322 C CB . GLU A 0 43 . -3.251 8.058 19.168 1.00 69.10 43 A 1 ATOM 323 O O . GLU A 0 43 . -1.324 6.398 17.493 1.00 69.10 43 A 1 ATOM 324 C CG . GLU A 0 43 . -3.308 8.790 20.522 1.00 69.10 43 A 1 ATOM 325 C CD . GLU A 0 43 . -2.608 7.994 21.633 1.00 69.10 43 A 1 ATOM 326 O OE1 . GLU A 0 43 . -1.618 8.506 22.202 1.00 69.10 43 A 1 ATOM 327 O OE2 . GLU A 0 43 . -3.034 6.845 21.879 1.00 69.10 43 A 1 ATOM 328 N N . SER A 0 44 . -2.114 7.783 15.903 1.00 71.40 44 A 1 ATOM 329 C CA . SER A 0 44 . -2.039 6.796 14.838 1.00 71.40 44 A 1 ATOM 330 C C . SER A 0 44 . -0.608 6.470 14.421 1.00 71.40 44 A 1 ATOM 331 C CB . SER A 0 44 . -2.915 7.150 13.638 1.00 71.40 44 A 1 ATOM 332 O O . SER A 0 44 . 0.341 7.263 14.491 1.00 71.40 44 A 1 ATOM 333 O OG . SER A 0 44 . -2.221 7.977 12.748 1.00 71.40 44 A 1 ATOM 334 N N . LEU A 0 45 . -0.473 5.224 13.992 1.00 83.65 45 A 1 ATOM 335 C CA . LEU A 0 45 . 0.773 4.642 13.565 1.00 83.65 45 A 1 ATOM 336 C C . LEU A 0 45 . 0.632 4.191 12.122 1.00 83.65 45 A 1 ATOM 337 C CB . LEU A 0 45 . 1.067 3.480 14.515 1.00 83.65 45 A 1 ATOM 338 O O . LEU A 0 45 . -0.284 3.428 11.804 1.00 83.65 45 A 1 ATOM 339 C CG . LEU A 0 45 . 2.463 2.909 14.309 1.00 83.65 45 A 1 ATOM 340 C CD1 . LEU A 0 45 . 3.389 3.822 15.130 1.00 83.65 45 A 1 ATOM 341 C CD2 . LEU A 0 45 . 2.427 1.440 14.749 1.00 83.65 45 A 1 ATOM 342 N N . PHE A 0 46 . 1.558 4.628 11.279 1.00 86.73 46 A 1 ATOM 343 C CA . PHE A 0 46 . 1.678 4.136 9.921 1.00 86.73 46 A 1 ATOM 344 C C . PHE A 0 46 . 2.838 3.163 9.816 1.00 86.73 46 A 1 ATOM 345 C CB . PHE A 0 46 . 1.781 5.285 8.918 1.00 86.73 46 A 1 ATOM 346 O O . PHE A 0 46 . 3.937 3.410 10.319 1.00 86.73 46 A 1 ATOM 347 C CG . PHE A 0 46 . 0.422 5.856 8.576 1.00 86.73 46 A 1 ATOM 348 C CD1 . PHE A 0 46 . -0.215 5.491 7.373 1.00 86.73 46 A 1 ATOM 349 C CD2 . PHE A 0 46 . -0.232 6.712 9.481 1.00 86.73 46 A 1 ATOM 350 C CE1 . PHE A 0 46 . -1.490 5.999 7.069 1.00 86.73 46 A 1 ATOM 351 C CE2 . PHE A 0 46 . -1.509 7.211 9.181 1.00 86.73 46 A 1 ATOM 352 C CZ . PHE A 0 46 . -2.134 6.865 7.970 1.00 86.73 46 A 1 ATOM 353 N N . ARG A 0 47 . 2.586 2.058 9.126 1.00 85.50 47 A 1 ATOM 354 C CA . ARG A 0 47 . 3.597 1.087 8.756 1.00 85.50 47 A 1 ATOM 355 C C . ARG A 0 47 . 3.816 1.163 7.254 1.00 85.50 47 A 1 ATOM 356 C CB . ARG A 0 47 . 3.179 -0.288 9.277 1.00 85.50 47 A 1 ATOM 357 O O . ARG A 0 47 . 2.904 0.922 6.472 1.00 85.50 47 A 1 ATOM 358 C CG . ARG A 0 47 . 4.419 -1.167 9.413 1.00 85.50 47 A 1 ATOM 359 C CD . ARG A 0 47 . 4.035 -2.493 10.061 1.00 85.50 47 A 1 ATOM 360 N NE . ARG A 0 47 . 5.194 -3.296 10.485 1.00 85.50 47 A 1 ATOM 361 N NH1 . ARG A 0 47 . 4.047 -5.111 11.293 1.00 85.50 47 A 1 ATOM 362 N NH2 . ARG A 0 47 . 6.267 -5.174 11.168 1.00 85.50 47 A 1 ATOM 363 C CZ . ARG A 0 47 . 5.156 -4.517 10.982 1.00 85.50 47 A 1 ATOM 364 N N . MET A 0 48 . 5.022 1.547 6.874 1.00 78.98 48 A 1 ATOM 365 C CA . MET A 0 48 . 5.479 1.692 5.499 1.00 78.98 48 A 1 ATOM 366 C C . MET A 0 48 . 6.236 0.429 5.118 1.00 78.98 48 A 1 ATOM 367 C CB . MET A 0 48 . 6.349 2.949 5.387 1.00 78.98 48 A 1 ATOM 368 O O . MET A 0 48 . 7.108 -0.019 5.864 1.00 78.98 48 A 1 ATOM 369 C CG . MET A 0 48 . 5.517 4.194 5.706 1.00 78.98 48 A 1 ATOM 370 S SD . MET A 0 48 . 6.410 5.754 5.570 1.00 78.98 48 A 1 ATOM 371 C CE . MET A 0 48 . 5.083 6.869 6.074 1.00 78.98 48 A 1 ATOM 372 N N . ARG A 0 49 . 5.866 -0.183 3.998 1.00 74.55 49 A 1 ATOM 373 C CA . ARG A 0 49 . 6.501 -1.386 3.458 1.00 74.55 49 A 1 ATOM 374 C C . ARG A 0 49 . 7.250 -1.012 2.196 1.00 74.55 49 A 1 ATOM 375 C CB . ARG A 0 49 . 5.458 -2.473 3.190 1.00 74.55 49 A 1 ATOM 376 O O . ARG A 0 49 . 6.708 -1.090 1.095 1.00 74.55 49 A 1 ATOM 377 C CG . ARG A 0 49 . 4.866 -2.996 4.496 1.00 74.55 49 A 1 ATOM 378 C CD . ARG A 0 49 . 3.978 -4.197 4.195 1.00 74.55 49 A 1 ATOM 379 N NE . ARG A 0 49 . 3.413 -4.741 5.438 1.00 74.55 49 A 1 ATOM 380 N NH1 . ARG A 0 49 . 2.347 -6.510 4.473 1.00 74.55 49 A 1 ATOM 381 N NH2 . ARG A 0 49 . 2.139 -6.158 6.676 1.00 74.55 49 A 1 ATOM 382 C CZ . ARG A 0 49 . 2.635 -5.798 5.525 1.00 74.55 49 A 1 ATOM 383 N N . LEU A 0 50 . 8.508 -0.639 2.376 1.00 68.32 50 A 1 ATOM 384 C CA . LEU A 0 50 . 9.374 -0.238 1.284 1.00 68.32 50 A 1 ATOM 385 C C . LEU A 0 50 . 9.829 -1.488 0.535 1.00 68.32 50 A 1 ATOM 386 C CB . LEU A 0 50 . 10.560 0.560 1.848 1.00 68.32 50 A 1 ATOM 387 O O . LEU A 0 50 . 10.313 -2.452 1.127 1.00 68.32 50 A 1 ATOM 388 C CG . LEU A 0 50 . 10.145 1.874 2.543 1.00 68.32 50 A 1 ATOM 389 C CD1 . LEU A 0 50 . 11.278 2.341 3.445 1.00 68.32 50 A 1 ATOM 390 C CD2 . LEU A 0 50 . 9.863 3.002 1.553 1.00 68.32 50 A 1 ATOM 391 N N . SER A 0 51 . 9.713 -1.465 -0.783 1.00 65.49 51 A 1 ATOM 392 C CA . SER A 0 51 . 10.299 -2.450 -1.682 1.00 65.49 51 A 1 ATOM 393 C C . SER A 0 51 . 11.410 -1.774 -2.476 1.00 65.49 51 A 1 ATOM 394 C CB . SER A 0 51 . 9.216 -3.125 -2.515 1.00 65.49 51 A 1 ATOM 395 O O . SER A 0 51 . 11.215 -1.206 -3.546 1.00 65.49 51 A 1 ATOM 396 O OG . SER A 0 51 . 8.577 -2.245 -3.401 1.00 65.49 51 A 1 ATOM 397 N N . GLY A 0 52 . 12.603 -1.774 -1.888 1.00 61.07 52 A 1 ATOM 398 C CA . GLY A 0 52 . 13.823 -1.321 -2.541 1.00 61.07 52 A 1 ATOM 399 C C . GLY A 0 52 . 14.648 -2.519 -2.995 1.00 61.07 52 A 1 ATOM 400 O O . GLY A 0 52 . 14.926 -3.415 -2.202 1.00 61.07 52 A 1 ATOM 401 N N . HIS A 0 53 . 15.070 -2.541 -4.260 1.00 56.42 53 A 1 ATOM 402 C CA . HIS A 0 53 . 16.131 -3.442 -4.730 1.00 56.42 53 A 1 ATOM 403 C C . HIS A 0 53 . 17.447 -2.667 -4.851 1.00 56.42 53 A 1 ATOM 404 C CB . HIS A 0 53 . 15.720 -4.197 -6.004 1.00 56.42 53 A 1 ATOM 405 O O . HIS A 0 53 . 18.006 -2.517 -5.936 1.00 56.42 53 A 1 ATOM 406 C CG . HIS A 0 53 . 14.894 -5.426 -5.718 1.00 56.42 53 A 1 ATOM 407 C CD2 . HIS A 0 53 . 15.138 -6.691 -6.182 1.00 56.42 53 A 1 ATOM 408 N ND1 . HIS A 0 53 . 13.810 -5.516 -4.875 1.00 56.42 53 A 1 ATOM 409 C CE1 . HIS A 0 53 . 13.404 -6.798 -4.850 1.00 56.42 53 A 1 ATOM 410 N NE2 . HIS A 0 53 . 14.191 -7.551 -5.629 1.00 56.42 53 A 1 ATOM 411 N N . SER A 0 54 . 17.943 -2.176 -3.710 1.00 51.97 54 A 1 ATOM 412 C CA . SER A 0 54 . 19.244 -1.492 -3.621 1.00 51.97 54 A 1 ATOM 413 C C . SER A 0 54 . 20.383 -2.356 -4.187 1.00 51.97 54 A 1 ATOM 414 C CB . SER A 0 54 . 19.496 -1.122 -2.153 1.00 51.97 54 A 1 ATOM 415 O O . SER A 0 54 . 21.250 -1.859 -4.900 1.00 51.97 54 A 1 ATOM 416 O OG . SER A 0 54 . 20.729 -0.464 -1.984 1.00 51.97 54 A 1 ATOM 417 N N . VAL A 0 55 . 20.313 -3.678 -3.971 1.00 49.03 55 A 1 ATOM 418 C CA . VAL A 0 55 . 21.340 -4.642 -4.406 1.00 49.03 55 A 1 ATOM 419 C C . VAL A 0 55 . 21.450 -4.752 -5.930 1.00 49.03 55 A 1 ATOM 420 C CB . VAL A 0 55 . 21.080 -6.035 -3.792 1.00 49.03 55 A 1 ATOM 421 O O . VAL A 0 55 . 22.555 -4.889 -6.444 1.00 49.03 55 A 1 ATOM 422 C CG1 . VAL A 0 55 . 22.196 -7.033 -4.125 1.00 49.03 55 A 1 ATOM 423 C CG2 . VAL A 0 55 . 20.969 -5.964 -2.261 1.00 49.03 55 A 1 ATOM 424 N N . LEU A 0 56 . 20.333 -4.686 -6.663 1.00 50.32 56 A 1 ATOM 425 C CA . LEU A 0 56 . 20.359 -4.794 -8.128 1.00 50.32 56 A 1 ATOM 426 C C . LEU A 0 56 . 20.656 -3.454 -8.811 1.00 50.32 56 A 1 ATOM 427 C CB . LEU A 0 56 . 19.042 -5.397 -8.647 1.00 50.32 56 A 1 ATOM 428 O O . LEU A 0 56 . 21.172 -3.438 -9.926 1.00 50.32 56 A 1 ATOM 429 C CG . LEU A 0 56 . 18.758 -6.851 -8.230 1.00 50.32 56 A 1 ATOM 430 C CD1 . LEU A 0 56 . 17.477 -7.324 -8.917 1.00 50.32 56 A 1 ATOM 431 C CD2 . LEU A 0 56 . 19.874 -7.820 -8.626 1.00 50.32 56 A 1 ATOM 432 N N . PHE A 0 57 . 20.352 -2.330 -8.155 1.00 51.97 57 A 1 ATOM 433 C CA . PHE A 0 57 . 20.415 -1.007 -8.775 1.00 51.97 57 A 1 ATOM 434 C C . PHE A 0 57 . 21.039 0.036 -7.832 1.00 51.97 57 A 1 ATOM 435 C CB . PHE A 0 57 . 19.012 -0.610 -9.250 1.00 51.97 57 A 1 ATOM 436 O O . PHE A 0 57 . 20.315 0.822 -7.211 1.00 51.97 57 A 1 ATOM 437 C CG . PHE A 0 57 . 18.399 -1.587 -10.236 1.00 51.97 57 A 1 ATOM 438 C CD1 . PHE A 0 57 . 18.852 -1.632 -11.569 1.00 51.97 57 A 1 ATOM 439 C CD2 . PHE A 0 57 . 17.401 -2.482 -9.808 1.00 51.97 57 A 1 ATOM 440 C CE1 . PHE A 0 57 . 18.305 -2.564 -12.469 1.00 51.97 57 A 1 ATOM 441 C CE2 . PHE A 0 57 . 16.857 -3.417 -10.707 1.00 51.97 57 A 1 ATOM 442 C CZ . PHE A 0 57 . 17.307 -3.456 -12.038 1.00 51.97 57 A 1 ATOM 443 N N . PRO A 0 58 . 22.382 0.121 -7.763 1.00 50.34 58 A 1 ATOM 444 C CA . PRO A 0 58 . 23.089 1.062 -6.887 1.00 50.34 58 A 1 ATOM 445 C C . PRO A 0 58 . 22.831 2.538 -7.228 1.00 50.34 58 A 1 ATOM 446 C CB . PRO A 0 58 . 24.573 0.695 -7.009 1.00 50.34 58 A 1 ATOM 447 O O . PRO A 0 58 . 23.023 3.410 -6.385 1.00 50.34 58 A 1 ATOM 448 C CG . PRO A 0 58 . 24.679 -0.032 -8.349 1.00 50.34 58 A 1 ATOM 449 C CD . PRO A 0 58 . 23.327 -0.722 -8.481 1.00 50.34 58 A 1 ATOM 450 N N . SER A 0 59 . 22.345 2.843 -8.440 1.00 54.67 59 A 1 ATOM 451 C CA . SER A 0 59 . 21.921 4.197 -8.827 1.00 54.67 59 A 1 ATOM 452 C C . SER A 0 59 . 20.588 4.635 -8.200 1.00 54.67 59 A 1 ATOM 453 C CB . SER A 0 59 . 21.868 4.312 -10.354 1.00 54.67 59 A 1 ATOM 454 O O . SER A 0 59 . 20.147 5.757 -8.447 1.00 54.67 59 A 1 ATOM 455 O OG . SER A 0 59 . 20.885 3.447 -10.892 1.00 54.67 59 A 1 ATOM 456 N N . GLY A 0 60 . 19.935 3.766 -7.417 1.00 53.54 60 A 1 ATOM 457 C CA . GLY A 0 60 . 18.637 4.014 -6.797 1.00 53.54 60 A 1 ATOM 458 C C . GLY A 0 60 . 17.514 3.985 -7.828 1.00 53.54 60 A 1 ATOM 459 O O . GLY A 0 60 . 17.096 5.031 -8.327 1.00 53.54 60 A 1 ATOM 460 N N . PHE A 0 61 . 17.022 2.794 -8.167 1.00 52.83 61 A 1 ATOM 461 C CA . PHE A 0 61 . 15.809 2.684 -8.978 1.00 52.83 61 A 1 ATOM 462 C C . PHE A 0 61 . 14.542 2.899 -8.142 1.00 52.83 61 A 1 ATOM 463 C CB . PHE A 0 61 . 15.781 1.386 -9.798 1.00 52.83 61 A 1 ATOM 464 O O . PHE A 0 61 . 14.551 2.757 -6.919 1.00 52.83 61 A 1 ATOM 465 C CG . PHE A 0 61 . 15.687 1.662 -11.286 1.00 52.83 61 A 1 ATOM 466 C CD1 . PHE A 0 61 . 14.440 1.634 -11.941 1.00 52.83 61 A 1 ATOM 467 C CD2 . PHE A 0 61 . 16.848 1.998 -12.008 1.00 52.83 61 A 1 ATOM 468 C CE1 . PHE A 0 61 . 14.359 1.937 -13.312 1.00 52.83 61 A 1 ATOM 469 C CE2 . PHE A 0 61 . 16.766 2.297 -13.380 1.00 52.83 61 A 1 ATOM 470 C CZ . PHE A 0 61 . 15.522 2.266 -14.032 1.00 52.83 61 A 1 ATOM 471 N N . ALA A 0 62 . 13.472 3.273 -8.844 1.00 61.12 62 A 1 ATOM 472 C CA . ALA A 0 62 . 12.113 3.401 -8.336 1.00 61.12 62 A 1 ATOM 473 C C . ALA A 0 62 . 11.689 2.130 -7.587 1.00 61.12 62 A 1 ATOM 474 C CB . ALA A 0 62 . 11.213 3.620 -9.559 1.00 61.12 62 A 1 ATOM 475 O O . ALA A 0 62 . 11.566 1.078 -8.197 1.00 61.12 62 A 1 ATOM 476 N N . GLY A 0 63 . 11.496 2.226 -6.281 1.00 70.76 63 A 1 ATOM 477 C CA . GLY A 0 63 . 10.813 1.232 -5.475 1.00 70.76 63 A 1 ATOM 478 C C . GLY A 0 63 . 9.321 1.525 -5.387 1.00 70.76 63 A 1 ATOM 479 O O . GLY A 0 63 . 8.827 2.561 -5.857 1.00 70.76 63 A 1 ATOM 480 N N . VAL A 0 64 . 8.624 0.609 -4.729 1.00 75.55 64 A 1 ATOM 481 C CA . VAL A 0 64 . 7.231 0.781 -4.324 1.00 75.55 64 A 1 ATOM 482 C C . VAL A 0 64 . 7.154 0.791 -2.804 1.00 75.55 64 A 1 ATOM 483 C CB . VAL A 0 64 . 6.322 -0.298 -4.940 1.00 75.55 64 A 1 ATOM 484 O O . VAL A 0 64 . 7.813 -0.018 -2.156 1.00 75.55 64 A 1 ATOM 485 C CG1 . VAL A 0 64 . 4.870 -0.064 -4.521 1.00 75.55 64 A 1 ATOM 486 C CG2 . VAL A 0 64 . 6.465 -0.327 -6.468 1.00 75.55 64 A 1 ATOM 487 N N . ASP A 0 65 . 6.357 1.677 -2.228 1.00 81.38 65 A 1 ATOM 488 C CA . ASP A 0 65 . 6.005 1.655 -0.813 1.00 81.38 65 A 1 ATOM 489 C C . ASP A 0 65 . 4.499 1.673 -0.635 1.00 81.38 65 A 1 ATOM 490 C CB . ASP A 0 65 . 6.675 2.802 -0.065 1.00 81.38 65 A 1 ATOM 491 O O . ASP A 0 65 . 3.756 2.255 -1.427 1.00 81.38 65 A 1 ATOM 492 C CG . ASP A 0 65 . 6.417 2.844 1.437 1.00 81.38 65 A 1 ATOM 493 O OD1 . ASP A 0 65 . 6.231 1.765 2.041 1.00 81.38 65 A 1 ATOM 494 O OD2 . ASP A 0 65 . 6.405 3.965 1.979 1.00 81.38 65 A 1 ATOM 495 N N . VAL A 0 66 . 4.056 1.028 0.432 1.00 86.15 66 A 1 ATOM 496 C CA . VAL A 0 66 . 2.660 1.023 0.836 1.00 86.15 66 A 1 ATOM 497 C C . VAL A 0 66 . 2.570 1.451 2.297 1.00 86.15 66 A 1 ATOM 498 C CB . VAL A 0 66 . 2.006 -0.341 0.575 1.00 86.15 66 A 1 ATOM 499 O O . VAL A 0 66 . 2.675 0.606 3.190 1.00 86.15 66 A 1 ATOM 500 C CG1 . VAL A 0 66 . 0.512 -0.277 0.911 1.00 86.15 66 A 1 ATOM 501 C CG2 . VAL A 0 66 . 2.148 -0.781 -0.892 1.00 86.15 66 A 1 ATOM 502 N N . PRO A 0 67 . 2.356 2.750 2.565 1.00 88.27 67 A 1 ATOM 503 C CA . PRO A 0 67 . 1.953 3.215 3.881 1.00 88.27 67 A 1 ATOM 504 C C . PRO A 0 67 . 0.558 2.696 4.241 1.00 88.27 67 A 1 ATOM 505 C CB . PRO A 0 67 . 1.994 4.744 3.819 1.00 88.27 67 A 1 ATOM 506 O O . PRO A 0 67 . -0.422 2.950 3.533 1.00 88.27 67 A 1 ATOM 507 C CG . PRO A 0 67 . 2.911 5.046 2.636 1.00 88.27 67 A 1 ATOM 508 C CD . PRO A 0 67 . 2.667 3.875 1.697 1.00 88.27 67 A 1 ATOM 509 N N . LEU A 0 68 . 0.470 2.005 5.374 1.00 89.61 68 A 1 ATOM 510 C CA . LEU A 0 68 . -0.769 1.499 5.955 1.00 89.61 68 A 1 ATOM 511 C C . LEU A 0 68 . -0.964 2.095 7.342 1.00 89.61 68 A 1 ATOM 512 C CB . LEU A 0 68 . -0.709 -0.035 6.043 1.00 89.61 68 A 1 ATOM 513 O O . LEU A 0 68 . -0.054 2.046 8.166 1.00 89.61 68 A 1 ATOM 514 C CG . LEU A 0 68 . -0.579 -0.743 4.686 1.00 89.61 68 A 1 ATOM 515 C CD1 . LEU A 0 68 . -0.378 -2.238 4.906 1.00 89.61 68 A 1 ATOM 516 C CD2 . LEU A 0 68 . -1.833 -0.565 3.837 1.00 89.61 68 A 1 ATOM 517 N N . SER A 0 69 . -2.152 2.622 7.626 1.00 90.07 69 A 1 ATOM 518 C CA . SER A 0 69 . -2.528 2.957 8.999 1.00 90.07 69 A 1 ATOM 519 C C . SER A 0 69 . -2.640 1.682 9.836 1.00 90.07 69 A 1 ATOM 520 C CB . SER A 0 69 . -3.840 3.745 9.023 1.00 90.07 69 A 1 ATOM 521 O O . SER A 0 69 . -2.880 0.604 9.298 1.00 90.07 69 A 1 ATOM 522 O OG . SER A 0 69 . -4.963 2.921 8.739 1.00 90.07 69 A 1 ATOM 523 N N . SER A 0 70 . -2.551 1.784 11.162 1.00 88.86 70 A 1 ATOM 524 C CA . SER A 0 70 . -2.632 0.609 12.053 1.00 88.86 70 A 1 ATOM 525 C C . SER A 0 70 . -3.927 -0.183 11.861 1.00 88.86 70 A 1 ATOM 526 C CB . SER A 0 70 . -2.557 1.009 13.532 1.00 88.86 70 A 1 ATOM 527 O O . SER A 0 70 . -3.950 -1.402 11.994 1.00 88.86 70 A 1 ATOM 528 O OG . SER A 0 70 . -1.911 2.247 13.715 1.00 88.86 70 A 1 ATOM 529 N N . ARG A 0 71 . -5.015 0.518 11.520 1.00 87.64 71 A 1 ATOM 530 C CA . ARG A 0 71 . -6.296 -0.108 11.196 1.00 87.64 71 A 1 ATOM 531 C C . ARG A 0 71 . -6.232 -0.873 9.877 1.00 87.64 71 A 1 ATOM 532 C CB . ARG A 0 71 . -7.397 0.954 11.178 1.00 87.64 71 A 1 ATOM 533 O O . ARG A 0 71 . -6.650 -2.022 9.839 1.00 87.64 71 A 1 ATOM 534 C CG . ARG A 0 71 . -8.737 0.302 10.827 1.00 87.64 71 A 1 ATOM 535 C CD . ARG A 0 71 . -9.847 1.340 10.813 1.00 87.64 71 A 1 ATOM 536 N NE . ARG A 0 71 . -11.078 0.710 10.328 1.00 87.64 71 A 1 ATOM 537 N NH1 . ARG A 0 71 . -12.398 2.582 10.398 1.00 87.64 71 A 1 ATOM 538 N NH2 . ARG A 0 71 . -13.227 0.609 9.700 1.00 87.64 71 A 1 ATOM 539 C CZ . ARG A 0 71 . -12.230 1.308 10.149 1.00 87.64 71 A 1 ATOM 540 N N . ALA A 0 72 . -5.732 -0.241 8.817 1.00 88.67 72 A 1 ATOM 541 C CA . ALA A 0 72 . -5.603 -0.902 7.522 1.00 88.67 72 A 1 ATOM 542 C C . ALA A 0 72 . -4.620 -2.076 7.594 1.00 88.67 72 A 1 ATOM 543 C CB . ALA A 0 72 . -5.151 0.132 6.492 1.00 88.67 72 A 1 ATOM 544 O O . ALA A 0 72 . -4.836 -3.101 6.966 1.00 88.67 72 A 1 ATOM 545 N N . GLU A 0 73 . -3.571 -1.954 8.404 1.00 87.79 73 A 1 ATOM 546 C CA . GLU A 0 73 . -2.628 -3.033 8.659 1.00 87.79 73 A 1 ATOM 547 C C . GLU A 0 73 . -3.292 -4.226 9.360 1.00 87.79 73 A 1 ATOM 548 C CB . GLU A 0 73 . -1.463 -2.489 9.491 1.00 87.79 73 A 1 ATOM 549 O O . GLU A 0 73 . -3.038 -5.365 8.982 1.00 87.79 73 A 1 ATOM 550 C CG . GLU A 0 73 . -0.347 -3.533 9.530 1.00 87.79 73 A 1 ATOM 551 C CD . GLU A 0 73 . 0.809 -3.179 10.455 1.00 87.79 73 A 1 ATOM 552 O OE1 . GLU A 0 73 . 1.719 -4.039 10.512 1.00 87.79 73 A 1 ATOM 553 O OE2 . GLU A 0 73 . 0.850 -2.087 11.060 1.00 87.79 73 A 1 ATOM 554 N N . ALA A 0 74 . -4.167 -3.984 10.339 1.00 88.37 74 A 1 ATOM 555 C CA . ALA A 0 74 . -4.919 -5.049 11.004 1.00 88.37 74 A 1 ATOM 556 C C . ALA A 0 74 . -5.909 -5.764 10.066 1.00 88.37 74 A 1 ATOM 557 C CB . ALA A 0 74 . -5.644 -4.443 12.211 1.00 88.37 74 A 1 ATOM 558 O O . ALA A 0 74 . -6.247 -6.921 10.300 1.00 88.37 74 A 1 ATOM 559 N N . GLU A 0 75 . -6.369 -5.077 9.020 1.00 90.17 75 A 1 ATOM 560 C CA . GLU A 0 75 . -7.243 -5.621 7.975 1.00 90.17 75 A 1 ATOM 561 C C . GLU A 0 75 . -6.441 -6.206 6.795 1.00 90.17 75 A 1 ATOM 562 C CB . GLU A 0 75 . -8.229 -4.520 7.516 1.00 90.17 75 A 1 ATOM 563 O O . GLU A 0 75 . -7.030 -6.717 5.847 1.00 90.17 75 A 1 ATOM 564 C CG . GLU A 0 75 . -9.232 -4.078 8.612 1.00 90.17 75 A 1 ATOM 565 C CD . GLU A 0 75 . -10.125 -2.872 8.224 1.00 90.17 75 A 1 ATOM 566 O OE1 . GLU A 0 75 . -10.869 -2.342 9.100 1.00 90.17 75 A 1 ATOM 567 O OE2 . GLU A 0 75 . -10.109 -2.442 7.050 1.00 90.17 75 A 1 ATOM 568 N N . LEU A 0 76 . -5.107 -6.137 6.801 1.00 89.10 76 A 1 ATOM 569 C CA . LEU A 0 76 . -4.291 -6.576 5.674 1.00 89.10 76 A 1 ATOM 570 C C . LEU A 0 76 . -4.224 -8.102 5.592 1.00 89.10 76 A 1 ATOM 571 C CB . LEU A 0 76 . -2.901 -5.947 5.787 1.00 89.10 76 A 1 ATOM 572 O O . LEU A 0 76 . -3.595 -8.747 6.430 1.00 89.10 76 A 1 ATOM 573 C CG . LEU A 0 76 . -2.008 -6.256 4.580 1.00 89.10 76 A 1 ATOM 574 C CD1 . LEU A 0 76 . -2.398 -5.487 3.328 1.00 89.10 76 A 1 ATOM 575 C CD2 . LEU A 0 76 . -0.591 -5.860 4.938 1.00 89.10 76 A 1 ATOM 576 N N . ALA A 0 77 . -4.795 -8.659 4.527 1.00 88.67 77 A 1 ATOM 577 C CA . ALA A 0 77 . -4.676 -10.076 4.209 1.00 88.67 77 A 1 ATOM 578 C C . ALA A 0 77 . -3.364 -10.359 3.464 1.00 88.67 77 A 1 ATOM 579 C CB . ALA A 0 77 . -5.909 -10.488 3.402 1.00 88.67 77 A 1 ATOM 580 O O . ALA A 0 77 . -2.593 -11.240 3.844 1.00 88.67 77 A 1 ATOM 581 N N . ASP A 0 78 . -3.076 -9.562 2.435 1.00 85.37 78 A 1 ATOM 582 C CA . ASP A 0 78 . -1.894 -9.702 1.596 1.00 85.37 78 A 1 ATOM 583 C C . ASP A 0 78 . -1.488 -8.353 0.989 1.00 85.37 78 A 1 ATOM 584 C CB . ASP A 0 78 . -2.084 -10.819 0.547 1.00 85.37 78 A 1 ATOM 585 O O . ASP A 0 78 . -2.308 -7.477 0.730 1.00 85.37 78 A 1 ATOM 586 C CG . ASP A 0 78 . -3.369 -10.756 -0.293 1.00 85.37 78 A 1 ATOM 587 O OD1 . ASP A 0 78 . -4.480 -10.933 0.265 1.00 85.37 78 A 1 ATOM 588 O OD2 . ASP A 0 78 . -3.250 -10.587 -1.525 1.00 85.37 78 A 1 ATOM 589 N N . GLY A 0 79 . -0.187 -8.138 0.811 1.00 76.69 79 A 1 ATOM 590 C CA . GLY A 0 79 . 0.340 -6.884 0.283 1.00 76.69 79 A 1 ATOM 591 C C . GLY A 0 79 . 1.734 -7.108 -0.257 1.00 76.69 79 A 1 ATOM 592 O O . GLY A 0 79 . 2.678 -7.219 0.527 1.00 76.69 79 A 1 ATOM 593 N N . ILE A 0 80 . 1.841 -7.234 -1.578 1.00 68.96 80 A 1 ATOM 594 C CA . ILE A 0 80 . 3.072 -7.652 -2.244 1.00 68.96 80 A 1 ATOM 595 C C . ILE A 0 80 . 3.453 -6.597 -3.293 1.00 68.96 80 A 1 ATOM 596 C CB . ILE A 0 80 . 2.965 -9.082 -2.832 1.00 68.96 80 A 1 ATOM 597 O O . ILE A 0 80 . 2.638 -6.264 -4.162 1.00 68.96 80 A 1 ATOM 598 C CG1 . ILE A 0 80 . 2.528 -10.093 -1.743 1.00 68.96 80 A 1 ATOM 599 C CG2 . ILE A 0 80 . 4.321 -9.511 -3.424 1.00 68.96 80 A 1 ATOM 600 C CD1 . ILE A 0 80 . 2.326 -11.532 -2.235 1.00 68.96 80 A 1 ATOM 601 N N . PRO A 0 81 . 4.685 -6.065 -3.242 1.00 72.00 81 A 1 ATOM 602 C CA . PRO A 0 81 . 5.279 -5.412 -4.400 1.00 72.00 81 A 1 ATOM 603 C C . PRO A 0 81 . 5.493 -6.485 -5.476 1.00 72.00 81 A 1 ATOM 604 C CB . PRO A 0 81 . 6.585 -4.809 -3.874 1.00 72.00 81 A 1 ATOM 605 O O . PRO A 0 81 . 6.334 -7.366 -5.316 1.00 72.00 81 A 1 ATOM 606 C CG . PRO A 0 81 . 7.000 -5.779 -2.764 1.00 72.00 81 A 1 ATOM 607 C CD . PRO A 0 81 . 5.673 -6.234 -2.181 1.00 72.00 81 A 1 ATOM 608 N N . ILE A 0 82 . 4.693 -6.458 -6.543 1.00 76.44 82 A 1 ATOM 609 C CA . ILE A 0 82 . 4.797 -7.430 -7.642 1.00 76.44 82 A 1 ATOM 610 C C . ILE A 0 82 . 6.111 -7.197 -8.388 1.00 76.44 82 A 1 ATOM 611 C CB . ILE A 0 82 . 3.567 -7.349 -8.580 1.00 76.44 82 A 1 ATOM 612 O O . ILE A 0 82 . 6.836 -8.139 -8.699 1.00 76.44 82 A 1 ATOM 613 C CG1 . ILE A 0 82 . 2.278 -7.650 -7.776 1.00 76.44 82 A 1 ATOM 614 C CG2 . ILE A 0 82 . 3.743 -8.326 -9.759 1.00 76.44 82 A 1 ATOM 615 C CD1 . ILE A 0 82 . 0.962 -7.642 -8.566 1.00 76.44 82 A 1 ATOM 616 N N . ASN A 0 83 . 6.443 -5.929 -8.623 1.00 73.64 83 A 1 ATOM 617 C CA . ASN A 0 83 . 7.736 -5.496 -9.135 1.00 73.64 83 A 1 ATOM 618 C C . ASN A 0 83 . 8.002 -4.036 -8.709 1.00 73.64 83 A 1 ATOM 619 C CB . ASN A 0 83 . 7.765 -5.747 -10.665 1.00 73.64 83 A 1 ATOM 620 O O . ASN A 0 83 . 7.257 -3.445 -7.927 1.00 73.64 83 A 1 ATOM 621 C CG . ASN A 0 83 . 6.716 -4.976 -11.442 1.00 73.64 83 A 1 ATOM 622 N ND2 . ASN A 0 83 . 6.125 -5.548 -12.460 1.00 73.64 83 A 1 ATOM 623 O OD1 . ASN A 0 83 . 6.448 -3.829 -11.138 1.00 73.64 83 A 1 ATOM 624 N N . LEU A 0 84 . 9.063 -3.430 -9.245 1.00 72.48 84 A 1 ATOM 625 C CA . LEU A 0 84 . 9.458 -2.038 -8.978 1.00 72.48 84 A 1 ATOM 626 C C . LEU A 0 84 . 8.431 -0.977 -9.434 1.00 72.48 84 A 1 ATOM 627 C CB . LEU A 0 84 . 10.812 -1.812 -9.674 1.00 72.48 84 A 1 ATOM 628 O O . LEU A 0 84 . 8.581 0.209 -9.143 1.00 72.48 84 A 1 ATOM 629 C CG . LEU A 0 84 . 11.994 -2.599 -9.076 1.00 72.48 84 A 1 ATOM 630 C CD1 . LEU A 0 84 . 13.267 -2.259 -9.852 1.00 72.48 84 A 1 ATOM 631 C CD2 . LEU A 0 84 . 12.246 -2.303 -7.595 1.00 72.48 84 A 1 ATOM 632 N N . ARG A 0 85 . 7.403 -1.385 -10.181 1.00 76.84 85 A 1 ATOM 633 C CA . ARG A 0 85 . 6.396 -0.521 -10.809 1.00 76.84 85 A 1 ATOM 634 C C . ARG A 0 85 . 4.968 -0.892 -10.436 1.00 76.84 85 A 1 ATOM 635 C CB . ARG A 0 85 . 6.548 -0.617 -12.332 1.00 76.84 85 A 1 ATOM 636 O O . ARG A 0 85 . 4.086 -0.086 -10.695 1.00 76.84 85 A 1 ATOM 637 C CG . ARG A 0 85 . 7.882 -0.054 -12.825 1.00 76.84 85 A 1 ATOM 638 C CD . ARG A 0 85 . 8.043 -0.360 -14.316 1.00 76.84 85 A 1 ATOM 639 N NE . ARG A 0 85 . 9.343 0.128 -14.807 1.00 76.84 85 A 1 ATOM 640 N NH1 . ARG A 0 85 . 8.618 2.153 -15.574 1.00 76.84 85 A 1 ATOM 641 N NH2 . ARG A 0 85 . 10.799 1.674 -15.604 1.00 76.84 85 A 1 ATOM 642 C CZ . ARG A 0 85 . 9.581 1.310 -15.330 1.00 76.84 85 A 1 ATOM 643 N N . LEU A 0 86 . 4.733 -2.067 -9.867 1.00 81.46 86 A 1 ATOM 644 C CA . LEU A 0 86 . 3.412 -2.630 -9.637 1.00 81.46 86 A 1 ATOM 645 C C . LEU A 0 86 . 3.325 -3.154 -8.205 1.00 81.46 86 A 1 ATOM 646 C CB . LEU A 0 86 . 3.159 -3.730 -10.687 1.00 81.46 86 A 1 ATOM 647 O O . LEU A 0 86 . 4.127 -3.991 -7.788 1.00 81.46 86 A 1 ATOM 648 C CG . LEU A 0 86 . 1.782 -4.406 -10.595 1.00 81.46 86 A 1 ATOM 649 C CD1 . LEU A 0 86 . 0.630 -3.471 -10.939 1.00 81.46 86 A 1 ATOM 650 C CD2 . LEU A 0 86 . 1.711 -5.574 -11.574 1.00 81.46 86 A 1 ATOM 651 N N . CYS A 0 87 . 2.318 -2.707 -7.462 1.00 83.68 87 A 1 ATOM 652 C CA . CYS A 0 87 . 1.945 -3.311 -6.189 1.00 83.68 87 A 1 ATOM 653 C C . CYS A 0 87 . 0.459 -3.629 -6.130 1.00 83.68 87 A 1 ATOM 654 C CB . CYS A 0 87 . 2.373 -2.445 -5.001 1.00 83.68 87 A 1 ATOM 655 O O . CYS A 0 87 . -0.371 -2.983 -6.775 1.00 83.68 87 A 1 ATOM 656 S SG . CYS A 0 87 . 1.485 -0.855 -4.978 1.00 83.68 87 A 1 ATOM 657 N N . ALA A 0 88 . 0.148 -4.622 -5.304 1.00 87.07 88 A 1 ATOM 658 C CA . ALA A 0 88 . -1.207 -4.973 -4.937 1.00 87.07 88 A 1 ATOM 659 C C . ALA A 0 88 . -1.315 -5.097 -3.415 1.00 87.07 88 A 1 ATOM 660 C CB . ALA A 0 88 . -1.610 -6.255 -5.668 1.00 87.07 88 A 1 ATOM 661 O O . ALA A 0 88 . -0.416 -5.621 -2.752 1.00 87.07 88 A 1 ATOM 662 N N . VAL A 0 89 . -2.423 -4.602 -2.872 1.00 89.30 89 A 1 ATOM 663 C CA . VAL A 0 89 . -2.747 -4.614 -1.445 1.00 89.30 89 A 1 ATOM 664 C C . VAL A 0 89 . -4.182 -5.081 -1.300 1.00 89.30 89 A 1 ATOM 665 C CB . VAL A 0 89 . -2.596 -3.218 -0.822 1.00 89.30 89 A 1 ATOM 666 O O . VAL A 0 89 . -5.098 -4.464 -1.846 1.00 89.30 89 A 1 ATOM 667 C CG1 . VAL A 0 89 . -2.852 -3.239 0.689 1.00 89.30 89 A 1 ATOM 668 C CG2 . VAL A 0 89 . -1.200 -2.637 -1.051 1.00 89.30 89 A 1 ATOM 669 N N . ARG A 0 90 . -4.382 -6.156 -0.551 1.00 91.53 90 A 1 ATOM 670 C CA . ARG A 0 90 . -5.681 -6.759 -0.301 1.00 91.53 90 A 1 ATOM 671 C C . ARG A 0 90 . -6.003 -6.687 1.184 1.00 91.53 90 A 1 ATOM 672 C CB . ARG A 0 90 . -5.652 -8.175 -0.859 1.00 91.53 90 A 1 ATOM 673 O O . ARG A 0 90 . -5.274 -7.203 2.029 1.00 91.53 90 A 1 ATOM 674 C CG . ARG A 0 90 . -6.952 -8.961 -0.656 1.00 91.53 90 A 1 ATOM 675 C CD . ARG A 0 90 . -6.977 -10.185 -1.582 1.00 91.53 90 A 1 ATOM 676 N NE . ARG A 0 90 . -8.142 -11.049 -1.320 1.00 91.53 90 A 1 ATOM 677 N NH1 . ARG A 0 90 . -7.128 -12.453 0.191 1.00 91.53 90 A 1 ATOM 678 N NH2 . ARG A 0 90 . -9.312 -12.619 -0.186 1.00 91.53 90 A 1 ATOM 679 C CZ . ARG A 0 90 . -8.176 -12.047 -0.460 1.00 91.53 90 A 1 ATOM 680 N N . LEU A 0 91 . -7.108 -6.018 1.484 1.00 90.76 91 A 1 ATOM 681 C CA . LEU A 0 91 . -7.651 -5.872 2.823 1.00 90.76 91 A 1 ATOM 682 C C . LEU A 0 91 . -8.915 -6.711 2.966 1.00 90.76 91 A 1 ATOM 683 C CB . LEU A 0 91 . -7.956 -4.401 3.145 1.00 90.76 91 A 1 ATOM 684 O O . LEU A 0 91 . -9.807 -6.649 2.119 1.00 90.76 91 A 1 ATOM 685 C CG . LEU A 0 91 . -6.800 -3.401 2.987 1.00 90.76 91 A 1 ATOM 686 C CD1 . LEU A 0 91 . -7.282 -2.035 3.467 1.00 90.76 91 A 1 ATOM 687 C CD2 . LEU A 0 91 . -5.574 -3.799 3.792 1.00 90.76 91 A 1 ATOM 688 N N . GLU A 0 92 . -9.020 -7.440 4.063 1.00 92.00 92 A 1 ATOM 689 C CA . GLU A 0 92 . -10.207 -8.174 4.469 1.00 92.00 92 A 1 ATOM 690 C C . GLU A 0 92 . -10.756 -7.537 5.745 1.00 92.00 92 A 1 ATOM 691 C CB . GLU A 0 92 . -9.879 -9.659 4.652 1.00 92.00 92 A 1 ATOM 692 O O . GLU A 0 92 . -10.108 -7.498 6.789 1.00 92.00 92 A 1 ATOM 693 C CG . GLU A 0 92 . -9.605 -10.351 3.305 1.00 92.00 92 A 1 ATOM 694 C CD . GLU A 0 92 . -9.260 -11.843 3.453 1.00 92.00 92 A 1 ATOM 695 O OE1 . GLU A 0 92 . -8.943 -12.472 2.412 1.00 92.00 92 A 1 ATOM 696 O OE2 . GLU A 0 92 . -9.321 -12.372 4.578 1.00 92.00 92 A 1 ATOM 697 N N . SER A 0 93 . -11.974 -7.008 5.661 1.00 88.17 93 A 1 ATOM 698 C CA . SER A 0 93 . -12.643 -6.362 6.787 1.00 88.17 93 A 1 ATOM 699 C C . SER A 0 93 . -13.964 -7.054 7.091 1.00 88.17 93 A 1 ATOM 700 C CB . SER A 0 93 . -12.803 -4.854 6.560 1.00 88.17 93 A 1 ATOM 701 O O . SER A 0 93 . -14.787 -7.315 6.211 1.00 88.17 93 A 1 ATOM 702 O OG . SER A 0 93 . -13.671 -4.600 5.469 1.00 88.17 93 A 1 ATOM 703 N N . SER A 0 94 . -14.186 -7.328 8.371 1.00 85.71 94 A 1 ATOM 704 C CA . SER A 0 94 . -15.478 -7.771 8.879 1.00 85.71 94 A 1 ATOM 705 C C . SER A 0 94 . -16.389 -6.572 9.091 1.00 85.71 94 A 1 ATOM 706 C CB . SER A 0 94 . -15.289 -8.534 10.184 1.00 85.71 94 A 1 ATOM 707 O O . SER A 0 94 . -16.029 -5.591 9.743 1.00 85.71 94 A 1 ATOM 708 O OG . SER A 0 94 . -15.081 -9.900 9.912 1.00 85.71 94 A 1 ATOM 709 N N . VAL A 0 95 . -17.600 -6.647 8.558 1.00 84.26 95 A 1 ATOM 710 C CA . VAL A 0 95 . -18.567 -5.560 8.603 1.00 84.26 95 A 1 ATOM 711 C C . VAL A 0 95 . -19.882 -6.066 9.147 1.00 84.26 95 A 1 ATOM 712 C CB . VAL A 0 95 . -18.714 -4.920 7.223 1.00 84.26 95 A 1 ATOM 713 O O . VAL A 0 95 . -20.520 -6.964 8.604 1.00 84.26 95 A 1 ATOM 714 C CG1 . VAL A 0 95 . -19.818 -3.852 7.219 1.00 84.26 95 A 1 ATOM 715 C CG2 . VAL A 0 95 . -17.346 -4.315 6.855 1.00 84.26 95 A 1 ATOM 716 N N . LYS A 0 96 . -20.357 -5.399 10.196 1.00 84.79 96 A 1 ATOM 717 C CA . LYS A 0 96 . -21.686 -5.640 10.743 1.00 84.79 96 A 1 ATOM 718 C C . LYS A 0 96 . -22.760 -5.230 9.731 1.00 84.79 96 A 1 ATOM 719 C CB . LYS A 0 96 . -21.794 -4.899 12.076 1.00 84.79 96 A 1 ATOM 720 O O . LYS A 0 96 . -22.961 -4.045 9.478 1.00 84.79 96 A 1 ATOM 721 C CG . LYS A 0 96 . -23.039 -5.345 12.845 1.00 84.79 96 A 1 ATOM 722 C CD . LYS A 0 96 . -22.986 -4.791 14.270 1.00 84.79 96 A 1 ATOM 723 C CE . LYS A 0 96 . -24.143 -5.375 15.080 1.00 84.79 96 A 1 ATOM 724 N NZ . LYS A 0 96 . -23.941 -5.157 16.534 1.00 84.79 96 A 1 ATOM 725 N N . VAL A 0 97 . -23.464 -6.214 9.178 1.00 83.69 97 A 1 ATOM 726 C CA . VAL A 0 97 . -24.574 -6.010 8.232 1.00 83.69 97 A 1 ATOM 727 C C . VAL A 0 97 . -25.898 -5.894 8.990 1.00 83.69 97 A 1 ATOM 728 C CB . VAL A 0 97 . -24.624 -7.152 7.194 1.00 83.69 97 A 1 ATOM 729 O O . VAL A 0 97 . -26.733 -5.051 8.673 1.00 83.69 97 A 1 ATOM 730 C CG1 . VAL A 0 97 . -25.721 -6.926 6.147 1.00 83.69 97 A 1 ATOM 731 C CG2 . VAL A 0 97 . -23.301 -7.285 6.432 1.00 83.69 97 A 1 ATOM 732 N N . ARG A 0 98 . -26.098 -6.725 10.024 1.00 85.25 98 A 1 ATOM 733 C CA . ARG A 0 98 . -27.266 -6.691 10.928 1.00 85.25 98 A 1 ATOM 734 C C . ARG A 0 98 . -26.837 -6.978 12.366 1.00 85.25 98 A 1 ATOM 735 C CB . ARG A 0 98 . -28.359 -7.671 10.450 1.00 85.25 98 A 1 ATOM 736 O O . ARG A 0 98 . -25.701 -7.375 12.605 1.00 85.25 98 A 1 ATOM 737 C CG . ARG A 0 98 . -28.922 -7.302 9.069 1.00 85.25 98 A 1 ATOM 738 C CD . ARG A 0 98 . -30.073 -8.224 8.656 1.00 85.25 98 A 1 ATOM 739 N NE . ARG A 0 98 . -30.736 -7.728 7.435 1.00 85.25 98 A 1 ATOM 740 N NH1 . ARG A 0 98 . -32.186 -9.486 7.128 1.00 85.25 98 A 1 ATOM 741 N NH2 . ARG A 0 98 . -32.254 -7.745 5.738 1.00 85.25 98 A 1 ATOM 742 C CZ . ARG A 0 98 . -31.718 -8.320 6.776 1.00 85.25 98 A 1 ATOM 743 N N . ARG A 0 99 . -27.747 -6.802 13.341 1.00 81.73 99 A 1 ATOM 744 C CA . ARG A 0 99 . -27.458 -7.006 14.781 1.00 81.73 99 A 1 ATOM 745 C C . ARG A 0 99 . -26.687 -8.303 15.068 1.00 81.73 99 A 1 ATOM 746 C CB . ARG A 0 99 . -28.739 -6.936 15.637 1.00 81.73 99 A 1 ATOM 747 O O . ARG A 0 99 . -25.737 -8.234 15.838 1.00 81.73 99 A 1 ATOM 748 C CG . ARG A 0 99 . -29.150 -5.486 15.951 1.00 81.73 99 A 1 ATOM 749 C CD . ARG A 0 99 . -30.345 -5.436 16.916 1.00 81.73 99 A 1 ATOM 750 N NE . ARG A 0 99 . -30.674 -4.049 17.313 1.00 81.73 99 A 1 ATOM 751 N NH1 . ARG A 0 99 . -32.839 -4.412 18.006 1.00 81.73 99 A 1 ATOM 752 N NH2 . ARG A 0 99 . -31.972 -2.366 18.140 1.00 81.73 99 A 1 ATOM 753 C CZ . ARG A 0 99 . -31.822 -3.619 17.815 1.00 81.73 99 A 1 ATOM 754 N N . ASN A 0 100 . -27.036 -9.390 14.374 1.00 82.75 100 A 1 ATOM 755 C CA . ASN A 0 100 . -26.455 -10.728 14.538 1.00 82.75 100 A 1 ATOM 756 C C . ASN A 0 100 . -25.855 -11.290 13.233 1.00 82.75 100 A 1 ATOM 757 C CB . ASN A 0 100 . -27.540 -11.664 15.108 1.00 82.75 100 A 1 ATOM 758 O O . ASN A 0 100 . -25.762 -12.502 13.081 1.00 82.75 100 A 1 ATOM 759 C CG . ASN A 0 100 . -28.139 -11.197 16.420 1.00 82.75 100 A 1 ATOM 760 N ND2 . ASN A 0 100 . -29.325 -11.649 16.745 1.00 82.75 100 A 1 ATOM 761 O OD1 . ASN A 0 100 . -27.592 -10.393 17.152 1.00 82.75 100 A 1 ATOM 762 N N . LEU A 0 101 . -25.515 -10.431 12.264 1.00 85.30 101 A 1 ATOM 763 C CA . LEU A 0 101 . -24.912 -10.861 11.000 1.00 85.30 101 A 1 ATOM 764 C C . LEU A 0 101 . -23.712 -9.978 10.672 1.00 85.30 101 A 1 ATOM 765 C CB . LEU A 0 101 . -25.961 -10.847 9.872 1.00 85.30 101 A 1 ATOM 766 O O . LEU A 0 101 . -23.866 -8.772 10.447 1.00 85.30 101 A 1 ATOM 767 C CG . LEU A 0 101 . -25.463 -11.444 8.541 1.00 85.30 101 A 1 ATOM 768 C CD1 . LEU A 0 101 . -25.204 -12.947 8.642 1.00 85.30 101 A 1 ATOM 769 C CD2 . LEU A 0 101 . -26.521 -11.206 7.461 1.00 85.30 101 A 1 ATOM 770 N N . CYS A 0 102 . -22.538 -10.597 10.633 1.00 82.62 102 A 1 ATOM 771 C CA . CYS A 0 102 . -21.329 -10.010 10.080 1.00 82.62 102 A 1 ATOM 772 C C . CYS A 0 102 . -21.163 -10.522 8.646 1.00 82.62 102 A 1 ATOM 773 C CB . CYS A 0 102 . -20.137 -10.374 10.971 1.00 82.62 102 A 1 ATOM 774 O O . CYS A 0 102 . -21.383 -11.703 8.391 1.00 82.62 102 A 1 ATOM 775 S SG . CYS A 0 102 . -18.840 -9.136 10.726 1.00 82.62 102 A 1 ATOM 776 N N . GLY A 0 103 . -20.837 -9.629 7.722 1.00 86.01 103 A 1 ATOM 777 C CA . GLY A 0 103 . -20.406 -9.973 6.375 1.00 86.01 103 A 1 ATOM 778 C C . GLY A 0 103 . -18.942 -9.603 6.209 1.00 86.01 103 A 1 ATOM 779 O O . GLY A 0 103 . -18.454 -8.683 6.863 1.00 86.01 103 A 1 ATOM 780 N N . GLU A 0 104 . -18.249 -10.298 5.326 1.00 87.82 104 A 1 ATOM 781 C CA . GLU A 0 104 . -16.866 -9.989 4.985 1.00 87.82 104 A 1 ATOM 782 C C . GLU A 0 104 . -16.841 -9.068 3.766 1.00 87.82 104 A 1 ATOM 783 C CB . GLU A 0 104 . -16.090 -11.290 4.757 1.00 87.82 104 A 1 ATOM 784 O O . GLU A 0 104 . -17.635 -9.212 2.832 1.00 87.82 104 A 1 ATOM 785 C CG . GLU A 0 104 . -15.993 -12.088 6.070 1.00 87.82 104 A 1 ATOM 786 C CD . GLU A 0 104 . -15.350 -13.468 5.900 1.00 87.82 104 A 1 ATOM 787 O OE1 . GLU A 0 104 . -14.903 -14.001 6.939 1.00 87.82 104 A 1 ATOM 788 O OE2 . GLU A 0 104 . -15.399 -14.001 4.769 1.00 87.82 104 A 1 ATOM 789 N N . ARG A 0 105 . -15.944 -8.084 3.776 1.00 87.14 105 A 1 ATOM 790 C CA . ARG A 0 105 . -15.633 -7.260 2.612 1.00 87.14 105 A 1 ATOM 791 C C . ARG A 0 105 . -14.158 -7.391 2.296 1.00 87.14 105 A 1 ATOM 792 C CB . ARG A 0 105 . -15.971 -5.787 2.844 1.00 87.14 105 A 1 ATOM 793 O O . ARG A 0 105 . -13.321 -7.159 3.163 1.00 87.14 105 A 1 ATOM 794 C CG . ARG A 0 105 . -17.441 -5.484 3.161 1.00 87.14 105 A 1 ATOM 795 C CD . ARG A 0 105 . -17.589 -3.959 3.055 1.00 87.14 105 A 1 ATOM 796 N NE . ARG A 0 105 . -18.672 -3.392 3.886 1.00 87.14 105 A 1 ATOM 797 N NH1 . ARG A 0 105 . -17.615 -1.388 4.288 1.00 87.14 105 A 1 ATOM 798 N NH2 . ARG A 0 105 . -19.609 -1.710 5.151 1.00 87.14 105 A 1 ATOM 799 C CZ . ARG A 0 105 . -18.635 -2.182 4.432 1.00 87.14 105 A 1 ATOM 800 N N . CYS A 0 106 . -13.867 -7.681 1.038 1.00 89.07 106 A 1 ATOM 801 C CA . CYS A 0 106 . -12.517 -7.635 0.500 1.00 89.07 106 A 1 ATOM 802 C C . CYS A 0 106 . -12.338 -6.339 -0.297 1.00 89.07 106 A 1 ATOM 803 C CB . CYS A 0 106 . -12.279 -8.867 -0.377 1.00 89.07 106 A 1 ATOM 804 O O . CYS A 0 106 . -13.163 -6.026 -1.157 1.00 89.07 106 A 1 ATOM 805 S SG . CYS A 0 106 . -12.348 -10.393 0.603 1.00 89.07 106 A 1 ATOM 806 N N . PHE A 0 107 . -11.256 -5.614 -0.042 1.00 87.90 107 A 1 ATOM 807 C CA . PHE A 0 107 . -10.805 -4.489 -0.855 1.00 87.90 107 A 1 ATOM 808 C C . PHE A 0 107 . -9.467 -4.852 -1.485 1.00 87.90 107 A 1 ATOM 809 C CB . PHE A 0 107 . -10.688 -3.223 0.000 1.00 87.90 107 A 1 ATOM 810 O O . PHE A 0 107 . -8.571 -5.302 -0.784 1.00 87.90 107 A 1 ATOM 811 C CG . PHE A 0 107 . -12.010 -2.733 0.550 1.00 87.90 107 A 1 ATOM 812 C CD1 . PHE A 0 107 . -12.835 -1.918 -0.246 1.00 87.90 107 A 1 ATOM 813 C CD2 . PHE A 0 107 . -12.421 -3.092 1.847 1.00 87.90 107 A 1 ATOM 814 C CE1 . PHE A 0 107 . -14.066 -1.460 0.253 1.00 87.90 107 A 1 ATOM 815 C CE2 . PHE A 0 107 . -13.651 -2.632 2.349 1.00 87.90 107 A 1 ATOM 816 C CZ . PHE A 0 107 . -14.473 -1.815 1.551 1.00 87.90 107 A 1 ATOM 817 N N . LEU A 0 108 . -9.327 -4.650 -2.792 1.00 88.94 108 A 1 ATOM 818 C CA . LEU A 0 108 . -8.073 -4.843 -3.513 1.00 88.94 108 A 1 ATOM 819 C C . LEU A 0 108 . -7.679 -3.514 -4.156 1.00 88.94 108 A 1 ATOM 820 C CB . LEU A 0 108 . -8.250 -5.984 -4.531 1.00 88.94 108 A 1 ATOM 821 O O . LEU A 0 108 . -8.410 -2.995 -4.998 1.00 88.94 108 A 1 ATOM 822 C CG . LEU A 0 108 . -7.008 -6.267 -5.396 1.00 88.94 108 A 1 ATOM 823 C CD1 . LEU A 0 108 . -5.822 -6.783 -4.584 1.00 88.94 108 A 1 ATOM 824 C CD2 . LEU A 0 108 . -7.356 -7.327 -6.441 1.00 88.94 108 A 1 ATOM 825 N N . ALA A 0 109 . -6.539 -2.967 -3.750 1.00 85.74 109 A 1 ATOM 826 C CA . ALA A 0 109 . -5.923 -1.801 -4.362 1.00 85.74 109 A 1 ATOM 827 C C . ALA A 0 109 . -4.725 -2.258 -5.196 1.00 85.74 109 A 1 ATOM 828 C CB . ALA A 0 109 . -5.533 -0.801 -3.267 1.00 85.74 109 A 1 ATOM 829 O O . ALA A 0 109 . -3.842 -2.943 -4.686 1.00 85.74 109 A 1 ATOM 830 N N . ILE A 0 110 . -4.701 -1.880 -6.473 1.00 87.48 110 A 1 ATOM 831 C CA . ILE A 0 110 . -3.587 -2.146 -7.387 1.00 87.48 110 A 1 ATOM 832 C C . ILE A 0 110 . -3.074 -0.800 -7.882 1.00 87.48 110 A 1 ATOM 833 C CB . ILE A 0 110 . -4.001 -3.073 -8.554 1.00 87.48 110 A 1 ATOM 834 O O . ILE A 0 110 . -3.866 0.048 -8.294 1.00 87.48 110 A 1 ATOM 835 C CG1 . ILE A 0 110 . -4.594 -4.399 -8.024 1.00 87.48 110 A 1 ATOM 836 C CG2 . ILE A 0 110 . -2.790 -3.344 -9.469 1.00 87.48 110 A 1 ATOM 837 C CD1 . ILE A 0 110 . -5.115 -5.334 -9.123 1.00 87.48 110 A 1 ATOM 838 N N . SER A 0 111 . -1.760 -0.605 -7.844 1.00 84.40 111 A 1 ATOM 839 C CA . SER A 0 111 . -1.110 0.603 -8.348 1.00 84.40 111 A 1 ATOM 840 C C . SER A 0 111 . 0.028 0.213 -9.275 1.00 84.40 111 A 1 ATOM 841 C CB . SER A 0 111 . -0.608 1.450 -7.182 1.00 84.40 111 A 1 ATOM 842 O O . SER A 0 111 . 0.873 -0.594 -8.895 1.00 84.40 111 A 1 ATOM 843 O OG . SER A 0 111 . -0.302 2.755 -7.627 1.00 84.40 111 A 1 ATOM 844 N N . ALA A 0 112 . 0.043 0.783 -10.481 1.00 84.04 112 A 1 ATOM 845 C CA . ALA A 0 112 . 1.008 0.478 -11.531 1.00 84.04 112 A 1 ATOM 846 C C . ALA A 0 112 . 1.621 1.760 -12.117 1.00 84.04 112 A 1 ATOM 847 C CB . ALA A 0 112 . 0.313 -0.345 -12.619 1.00 84.04 112 A 1 ATOM 848 O O . ALA A 0 112 . 0.915 2.745 -12.339 1.00 84.04 112 A 1 ATOM 849 N N . TYR A 0 113 . 2.922 1.739 -12.415 1.00 73.42 113 A 1 ATOM 850 C CA . TYR A 0 113 . 3.648 2.831 -13.060 1.00 73.42 113 A 1 ATOM 851 C C . TYR A 0 113 . 4.186 2.396 -14.427 1.00 73.42 113 A 1 ATOM 852 C CB . TYR A 0 113 . 4.756 3.366 -12.142 1.00 73.42 113 A 1 ATOM 853 O O . TYR A 0 113 . 5.246 1.771 -14.544 1.00 73.42 113 A 1 ATOM 854 C CG . TYR A 0 113 . 5.450 4.583 -12.720 1.00 73.42 113 A 1 ATOM 855 C CD1 . TYR A 0 113 . 6.705 4.457 -13.345 1.00 73.42 113 A 1 ATOM 856 C CD2 . TYR A 0 113 . 4.811 5.836 -12.663 1.00 73.42 113 A 1 ATOM 857 C CE1 . TYR A 0 113 . 7.318 5.586 -13.923 1.00 73.42 113 A 1 ATOM 858 C CE2 . TYR A 0 113 . 5.420 6.967 -13.239 1.00 73.42 113 A 1 ATOM 859 O OH . TYR A 0 113 . 7.268 7.925 -14.437 1.00 73.42 113 A 1 ATOM 860 C CZ . TYR A 0 113 . 6.674 6.839 -13.875 1.00 73.42 113 A 1 ATOM 861 N N . THR A 0 114 . 3.462 2.766 -15.484 1.00 73.61 114 A 1 ATOM 862 C CA . THR A 0 114 . 3.853 2.484 -16.869 1.00 73.61 114 A 1 ATOM 863 C C . THR A 0 114 . 5.087 3.305 -17.263 1.00 73.61 114 A 1 ATOM 864 C CB . THR A 0 114 . 2.715 2.777 -17.853 1.00 73.61 114 A 1 ATOM 865 O O . THR A 0 114 . 5.076 4.529 -17.088 1.00 73.61 114 A 1 ATOM 866 C CG2 . THR A 0 114 . 1.536 1.828 -17.660 1.00 73.61 114 A 1 ATOM 867 O OG1 . THR A 0 114 . 2.242 4.090 -17.661 1.00 73.61 114 A 1 ATOM 868 N N . PRO A 0 115 . 6.146 2.683 -17.814 1.00 68.45 115 A 1 ATOM 869 C CA . PRO A 0 115 . 7.278 3.414 -18.371 1.00 68.45 115 A 1 ATOM 870 C C . PRO A 0 115 . 6.818 4.398 -19.452 1.00 68.45 115 A 1 ATOM 871 C CB . PRO A 0 115 . 8.239 2.366 -18.943 1.00 68.45 115 A 1 ATOM 872 O O . PRO A 0 115 . 5.886 4.124 -20.208 1.00 68.45 115 A 1 ATOM 873 C CG . PRO A 0 115 . 7.695 1.011 -18.497 1.00 68.45 115 A 1 ATOM 874 C CD . PRO A 0 115 . 6.263 1.256 -18.058 1.00 68.45 115 A 1 ATOM 875 N N . THR A 0 116 . 7.474 5.553 -19.541 1.00 71.46 116 A 1 ATOM 876 C CA . THR A 0 116 . 7.177 6.528 -20.594 1.00 71.46 116 A 1 ATOM 877 C C . THR A 0 116 . 7.600 5.982 -21.961 1.00 71.46 116 A 1 ATOM 878 C CB . THR A 0 116 . 7.832 7.886 -20.296 1.00 71.46 116 A 1 ATOM 879 O O . THR A 0 116 . 8.453 5.100 -22.053 1.00 71.46 116 A 1 ATOM 880 C CG2 . THR A 0 116 . 7.282 8.518 -19.017 1.00 71.46 116 A 1 ATOM 881 O OG1 . THR A 0 116 . 9.222 7.751 -20.123 1.00 71.46 116 A 1 ATOM 882 N N . GLY A 0 117 . 7.025 6.505 -23.050 1.00 67.42 117 A 1 ATOM 883 C CA . GLY A 0 117 . 7.283 5.999 -24.409 1.00 67.42 117 A 1 ATOM 884 C C . GLY A 0 117 . 8.760 6.001 -24.838 1.00 67.42 117 A 1 ATOM 885 O O . GLY A 0 117 . 9.127 5.240 -25.728 1.00 67.42 117 A 1 ATOM 886 N N . CYS A 0 118 . 9.604 6.802 -24.179 1.00 68.98 118 A 1 ATOM 887 C CA . CYS A 0 118 . 11.049 6.866 -24.409 1.00 68.98 118 A 1 ATOM 888 C C . CYS A 0 118 . 11.855 5.785 -23.662 1.00 68.98 118 A 1 ATOM 889 C CB . CYS A 0 118 . 11.556 8.262 -24.017 1.00 68.98 118 A 1 ATOM 890 O O . CYS A 0 118 . 13.075 5.733 -23.809 1.00 68.98 118 A 1 ATOM 891 S SG . CYS A 0 118 . 10.706 9.560 -24.963 1.00 68.98 118 A 1 ATOM 892 N N . CYS A 0 119 . 11.222 4.964 -22.820 1.00 61.56 119 A 1 ATOM 893 C CA . CYS A 0 119 . 11.890 3.860 -22.137 1.00 61.56 119 A 1 ATOM 894 C C . CYS A 0 119 . 12.175 2.703 -23.104 1.00 61.56 119 A 1 ATOM 895 C CB . CYS A 0 119 . 11.054 3.403 -20.934 1.00 61.56 119 A 1 ATOM 896 O O . CYS A 0 119 . 11.410 2.461 -24.039 1.00 61.56 119 A 1 ATOM 897 S SG . CYS A 0 119 . 11.025 4.686 -19.642 1.00 61.56 119 A 1 ATOM 898 N N . GLN A 0 120 . 13.274 1.985 -22.849 1.00 60.81 120 A 1 ATOM 899 C CA . GLN A 0 120 . 13.662 0.793 -23.605 1.00 60.81 120 A 1 ATOM 900 C C . GLN A 0 120 . 12.542 -0.254 -23.573 1.00 60.81 120 A 1 ATOM 901 C CB . GLN A 0 120 . 14.962 0.209 -23.021 1.00 60.81 120 A 1 ATOM 902 O O . GLN A 0 120 . 11.853 -0.380 -22.560 1.00 60.81 120 A 1 ATOM 903 C CG . GLN A 0 120 . 16.168 1.141 -23.234 1.00 60.81 120 A 1 ATOM 904 C CD . GLN A 0 120 . 17.474 0.555 -22.705 1.00 60.81 120 A 1 ATOM 905 N NE2 . GLN A 0 120 . 18.584 0.784 -23.373 1.00 60.81 120 A 1 ATOM 906 O OE1 . GLN A 0 120 . 17.541 -0.093 -21.677 1.00 60.81 120 A 1 ATOM 907 N N . ASP A 0 121 . 12.366 -1.011 -24.658 1.00 66.29 121 A 1 ATOM 908 C CA . ASP A 0 121 . 11.265 -1.979 -24.763 1.00 66.29 121 A 1 ATOM 909 C C . ASP A 0 121 . 11.332 -3.065 -23.681 1.00 66.29 121 A 1 ATOM 910 C CB . ASP A 0 121 . 11.213 -2.572 -26.176 1.00 66.29 121 A 1 ATOM 911 O O . ASP A 0 121 . 10.300 -3.404 -23.114 1.00 66.29 121 A 1 ATOM 912 C CG . ASP A 0 121 . 10.857 -1.513 -27.229 1.00 66.29 121 A 1 ATOM 913 O OD1 . ASP A 0 121 . 9.990 -0.637 -26.946 1.00 66.29 121 A 1 ATOM 914 O OD2 . ASP A 0 121 . 11.509 -1.532 -28.295 1.00 66.29 121 A 1 ATOM 915 N N . SER A 0 122 . 12.537 -3.464 -23.252 1.00 64.75 122 A 1 ATOM 916 C CA . SER A 0 122 . 12.720 -4.364 -22.101 1.00 64.75 122 A 1 ATOM 917 C C . SER A 0 122 . 12.047 -3.858 -20.824 1.00 64.75 122 A 1 ATOM 918 C CB . SER A 0 122 . 14.211 -4.551 -21.805 1.00 64.75 122 A 1 ATOM 919 O O . SER A 0 122 . 11.570 -4.633 -20.012 1.00 64.75 122 A 1 ATOM 920 O OG . SER A 0 122 . 14.853 -3.306 -21.542 1.00 64.75 122 A 1 ATOM 921 N N . THR A 0 123 . 11.972 -2.539 -20.649 1.00 61.12 123 A 1 ATOM 922 C CA . THR A 0 123 . 11.327 -1.920 -19.490 1.00 61.12 123 A 1 ATOM 923 C C . THR A 0 123 . 9.800 -1.921 -19.608 1.00 61.12 123 A 1 ATOM 924 C CB . THR A 0 123 . 11.838 -0.482 -19.354 1.00 61.12 123 A 1 ATOM 925 O O . THR A 0 123 . 9.116 -1.797 -18.594 1.00 61.12 123 A 1 ATOM 926 C CG2 . THR A 0 123 . 11.466 0.174 -18.043 1.00 61.12 123 A 1 ATOM 927 O OG1 . THR A 0 123 . 13.245 -0.430 -19.382 1.00 61.12 123 A 1 ATOM 928 N N . LYS A 0 124 . 9.258 -2.004 -20.831 1.00 63.78 124 A 1 ATOM 929 C CA . LYS A 0 124 . 7.814 -2.117 -21.089 1.00 63.78 124 A 1 ATOM 930 C C . LYS A 0 124 . 7.320 -3.544 -20.876 1.00 63.78 124 A 1 ATOM 931 C CB . LYS A 0 124 . 7.470 -1.663 -22.513 1.00 63.78 124 A 1 ATOM 932 O O . LYS A 0 124 . 6.210 -3.696 -20.386 1.00 63.78 124 A 1 ATOM 933 C CG . LYS A 0 124 . 7.801 -0.191 -22.796 1.00 63.78 124 A 1 ATOM 934 C CD . LYS A 0 124 . 7.497 0.098 -24.270 1.00 63.78 124 A 1 ATOM 935 C CE . LYS A 0 124 . 8.016 1.478 -24.681 1.00 63.78 124 A 1 ATOM 936 N NZ . LYS A 0 124 . 8.293 1.496 -26.138 1.00 63.78 124 A 1 ATOM 937 N N . ASP A 0 125 . 8.151 -4.535 -21.197 1.00 68.97 125 A 1 ATOM 938 C CA . ASP A 0 125 . 7.834 -5.959 -21.024 1.00 68.97 125 A 1 ATOM 939 C C . ASP A 0 125 . 7.783 -6.391 -19.544 1.00 68.97 125 A 1 ATOM 940 C CB . ASP A 0 125 . 8.860 -6.803 -21.803 1.00 68.97 125 A 1 ATOM 941 O O . ASP A 0 125 . 7.143 -7.385 -19.217 1.00 68.97 125 A 1 ATOM 942 C CG . ASP A 0 125 . 8.803 -6.620 -23.328 1.00 68.97 125 A 1 ATOM 943 O OD1 . ASP A 0 125 . 7.709 -6.314 -23.858 1.00 68.97 125 A 1 ATOM 944 O OD2 . ASP A 0 125 . 9.865 -6.806 -23.967 1.00 68.97 125 A 1 ATOM 945 N N . ASP A 0 126 . 8.423 -5.632 -18.647 1.00 66.98 126 A 1 ATOM 946 C CA . ASP A 0 126 . 8.465 -5.903 -17.200 1.00 66.98 126 A 1 ATOM 947 C C . ASP A 0 126 . 7.192 -5.482 -16.424 1.00 66.98 126 A 1 ATOM 948 C CB . ASP A 0 126 . 9.692 -5.189 -16.592 1.00 66.98 126 A 1 ATOM 949 O O . ASP A 0 126 . 7.121 -5.712 -15.211 1.00 66.98 126 A 1 ATOM 950 C CG . ASP A 0 126 . 11.052 -5.863 -16.819 1.00 66.98 126 A 1 ATOM 951 O OD1 . ASP A 0 126 . 11.099 -7.091 -17.054 1.00 66.98 126 A 1 ATOM 952 O OD2 . ASP A 0 126 . 12.059 -5.133 -16.638 1.00 66.98 126 A 1 ATOM 953 N N . LEU A 0 127 . 6.220 -4.811 -17.064 1.00 64.96 127 A 1 ATOM 954 C CA . LEU A 0 127 . 4.967 -4.363 -16.427 1.00 64.96 127 A 1 ATOM 955 C C . LEU A 0 127 . 3.911 -5.476 -16.406 1.00 64.96 127 A 1 ATOM 956 C CB . LEU A 0 127 . 4.437 -3.107 -17.148 1.00 64.96 127 A 1 ATOM 957 O O . LEU A 0 127 . 3.370 -5.708 -15.300 1.00 64.96 127 A 1 ATOM 958 C CG . LEU A 0 127 . 3.244 -2.471 -16.406 1.00 64.96 127 A 1 ATOM 959 C CD1 . LEU A 0 127 . 3.729 -1.356 -15.475 1.00 64.96 127 A 1 ATOM 960 C CD2 . LEU A 0 127 . 2.254 -1.891 -17.409 1.00 64.96 127 A 1 ATOM 961 O OXT . LEU A 0 127 . 3.578 -5.958 -17.507 1.00 64.96 127 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 77.61 # loop_ _atom_type.symbol C N O S #