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 PRO 0 4 GLU 0 5 VAL 0 6 MET 0 7 ALA 0 8 LEU 0 9 SER 0 10 ALA 0 11 VAL 0 12 SER 0 13 LEU 0 14 HIS 0 15 LEU 0 16 THR 0 17 TRP 0 18 ASN 0 19 PHE 0 20 TYR 0 21 LEU 0 22 MET 0 23 ARG 0 24 PRO 0 25 LEU 0 26 TYR 0 27 ALA 0 28 HIS 0 29 LEU 0 30 TYR 0 31 ARG 0 32 ALA 0 33 VAL 0 34 LEU 0 35 TRP 0 36 GLY 0 37 SER 0 38 GLY 0 39 ALA 0 40 TYR 0 41 ILE 0 42 ILE 0 43 SER 0 44 ARG 0 45 GLU 0 46 VAL 0 47 GLN 0 48 ARG 0 49 ALA 0 50 PHE 0 51 HIS 0 52 LYS 0 53 LYS 0 54 LYS 0 55 VAL 0 56 ALA 0 57 HIS 0 58 LEU 0 59 LYS 0 60 ALA 0 61 ILE 0 62 ASP 0 63 ILE 0 64 TYR 0 65 LYS 0 66 SER 0 67 GLN 0 68 PHE 0 69 PRO 0 70 ASP 0 71 ARG 0 72 VAL 0 73 PRO 0 74 VAL 0 75 LYS 0 76 PHE 0 77 TYR 0 78 PRO 0 79 THR 0 80 PHE 0 81 GLY 0 82 GLU 0 83 ILE 0 84 ILE 0 85 LYS 0 86 PRO 0 87 TRP 0 88 LYS 0 89 PRO 0 90 LEU 0 91 ARG # 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 . -4.210 1.172 6.851 1.00 84.21 1 A 1 ATOM 2 C CA . MET A 0 1 . -4.169 2.330 7.776 1.00 84.21 1 A 1 ATOM 3 C C . MET A 0 1 . -5.381 3.249 7.631 1.00 84.21 1 A 1 ATOM 4 C CB . MET A 0 1 . -2.853 3.116 7.743 1.00 84.21 1 A 1 ATOM 5 O O . MET A 0 1 . -5.979 3.578 8.642 1.00 84.21 1 A 1 ATOM 6 C CG . MET A 0 1 . -1.659 2.224 8.099 1.00 84.21 1 A 1 ATOM 7 S SD . MET A 0 1 . -0.145 3.139 8.471 1.00 84.21 1 A 1 ATOM 8 C CE . MET A 0 1 . -0.372 3.433 10.250 1.00 84.21 1 A 1 ATOM 9 N N . ILE A 0 2 . -5.763 3.682 6.420 1.00 91.23 2 A 1 ATOM 10 C CA . ILE A 0 2 . -6.918 4.587 6.236 1.00 91.23 2 A 1 ATOM 11 C C . ILE A 0 2 . -8.251 3.995 6.754 1.00 91.23 2 A 1 ATOM 12 C CB . ILE A 0 2 . -7.031 5.072 4.768 1.00 91.23 2 A 1 ATOM 13 O O . ILE A 0 2 . -8.915 4.681 7.532 1.00 91.23 2 A 1 ATOM 14 C CG1 . ILE A 0 2 . -5.727 5.777 4.319 1.00 91.23 2 A 1 ATOM 15 C CG2 . ILE A 0 2 . -8.236 6.019 4.601 1.00 91.23 2 A 1 ATOM 16 C CD1 . ILE A 0 2 . -5.678 6.117 2.824 1.00 91.23 2 A 1 ATOM 17 N N . PRO A 0 3 . -8.669 2.765 6.379 1.00 93.29 3 A 1 ATOM 18 C CA . PRO A 0 3 . -9.976 2.255 6.798 1.00 93.29 3 A 1 ATOM 19 C C . PRO A 0 3 . -10.056 1.970 8.302 1.00 93.29 3 A 1 ATOM 20 C CB . PRO A 0 3 . -10.222 1.006 5.945 1.00 93.29 3 A 1 ATOM 21 O O . PRO A 0 3 . -11.106 2.159 8.910 1.00 93.29 3 A 1 ATOM 22 C CG . PRO A 0 3 . -8.820 0.514 5.606 1.00 93.29 3 A 1 ATOM 23 C CD . PRO A 0 3 . -8.038 1.818 5.467 1.00 93.29 3 A 1 ATOM 24 N N . GLU A 0 4 . -8.946 1.576 8.927 1.00 93.91 4 A 1 ATOM 25 C CA . GLU A 0 4 . -8.859 1.351 10.371 1.00 93.91 4 A 1 ATOM 26 C C . GLU A 0 4 . -8.995 2.671 11.141 1.00 93.91 4 A 1 ATOM 27 C CB . GLU A 0 4 . -7.537 0.648 10.739 1.00 93.91 4 A 1 ATOM 28 O O . GLU A 0 4 . -9.747 2.740 12.111 1.00 93.91 4 A 1 ATOM 29 C CG . GLU A 0 4 . -7.260 -0.668 9.980 1.00 93.91 4 A 1 ATOM 30 C CD . GLU A 0 4 . -6.601 -0.482 8.599 1.00 93.91 4 A 1 ATOM 31 O OE1 . GLU A 0 4 . -6.156 -1.459 7.968 1.00 93.91 4 A 1 ATOM 32 O OE2 . GLU A 0 4 . -6.480 0.662 8.105 1.00 93.91 4 A 1 ATOM 33 N N . VAL A 0 5 . -8.340 3.741 10.674 1.00 95.14 5 A 1 ATOM 34 C CA . VAL A 0 5 . -8.464 5.081 11.272 1.00 95.14 5 A 1 ATOM 35 C C . VAL A 0 5 . -9.892 5.611 11.142 1.00 95.14 5 A 1 ATOM 36 C CB . VAL A 0 5 . -7.440 6.053 10.652 1.00 95.14 5 A 1 ATOM 37 O O . VAL A 0 5 . -10.424 6.145 12.111 1.00 95.14 5 A 1 ATOM 38 C CG1 . VAL A 0 5 . -7.653 7.508 11.088 1.00 95.14 5 A 1 ATOM 39 C CG2 . VAL A 0 5 . -6.014 5.671 11.074 1.00 95.14 5 A 1 ATOM 40 N N . MET A 0 6 . -10.543 5.418 9.989 1.00 94.39 6 A 1 ATOM 41 C CA . MET A 0 6 . -11.942 5.828 9.793 1.00 94.39 6 A 1 ATOM 42 C C . MET A 0 6 . -12.925 5.023 10.653 1.00 94.39 6 A 1 ATOM 43 C CB . MET A 0 6 . -12.331 5.716 8.314 1.00 94.39 6 A 1 ATOM 44 O O . MET A 0 6 . -13.910 5.568 11.148 1.00 94.39 6 A 1 ATOM 45 C CG . MET A 0 6 . -11.658 6.812 7.480 1.00 94.39 6 A 1 ATOM 46 S SD . MET A 0 6 . -12.199 6.920 5.750 1.00 94.39 6 A 1 ATOM 47 C CE . MET A 0 6 . -13.907 7.496 5.970 1.00 94.39 6 A 1 ATOM 48 N N . ALA A 0 7 . -12.665 3.731 10.856 1.00 94.78 7 A 1 ATOM 49 C CA . ALA A 0 7 . -13.466 2.906 11.753 1.00 94.78 7 A 1 ATOM 50 C C . ALA A 0 7 . -13.316 3.366 13.211 1.00 94.78 7 A 1 ATOM 51 C CB . ALA A 0 7 . -13.050 1.446 11.572 1.00 94.78 7 A 1 ATOM 52 O O . ALA A 0 7 . -14.315 3.566 13.903 1.00 94.78 7 A 1 ATOM 53 N N . LEU A 0 8 . -12.079 3.601 13.661 1.00 94.90 8 A 1 ATOM 54 C CA . LEU A 0 8 . -11.797 4.105 15.005 1.00 94.90 8 A 1 ATOM 55 C C . LEU A 0 8 . -12.400 5.493 15.228 1.00 94.90 8 A 1 ATOM 56 C CB . LEU A 0 8 . -10.277 4.131 15.241 1.00 94.90 8 A 1 ATOM 57 O O . LEU A 0 8 . -12.966 5.739 16.293 1.00 94.90 8 A 1 ATOM 58 C CG . LEU A 0 8 . -9.640 2.743 15.439 1.00 94.90 8 A 1 ATOM 59 C CD1 . LEU A 0 8 . -8.119 2.890 15.485 1.00 94.90 8 A 1 ATOM 60 C CD2 . LEU A 0 8 . -10.099 2.075 16.738 1.00 94.90 8 A 1 ATOM 61 N N . SER A 0 9 . -12.344 6.384 14.234 1.00 95.47 9 A 1 ATOM 62 C CA . SER A 0 9 . -12.945 7.715 14.336 1.00 95.47 9 A 1 ATOM 63 C C . SER A 0 9 . -14.471 7.646 14.408 1.00 95.47 9 A 1 ATOM 64 C CB . SER A 0 9 . -12.470 8.630 13.200 1.00 95.47 9 A 1 ATOM 65 O O . SER A 0 9 . -15.062 8.370 15.202 1.00 95.47 9 A 1 ATOM 66 O OG . SER A 0 9 . -12.995 8.260 11.941 1.00 95.47 9 A 1 ATOM 67 N N . ALA A 0 10 . -15.114 6.747 13.655 1.00 94.90 10 A 1 ATOM 68 C CA . ALA A 0 10 . -16.562 6.531 13.726 1.00 94.90 10 A 1 ATOM 69 C C . ALA A 0 10 . -17.007 5.967 15.087 1.00 94.90 10 A 1 ATOM 70 C CB . ALA A 0 10 . -16.977 5.611 12.573 1.00 94.90 10 A 1 ATOM 71 O O . ALA A 0 10 . -17.988 6.441 15.661 1.00 94.90 10 A 1 ATOM 72 N N . VAL A 0 11 . -16.266 5.000 15.642 1.00 94.41 11 A 1 ATOM 73 C CA . VAL A 0 11 . -16.523 4.479 16.996 1.00 94.41 11 A 1 ATOM 74 C C . VAL A 0 11 . -16.318 5.576 18.040 1.00 94.41 11 A 1 ATOM 75 C CB . VAL A 0 11 . -15.639 3.254 17.300 1.00 94.41 11 A 1 ATOM 76 O O . VAL A 0 11 . -17.178 5.774 18.896 1.00 94.41 11 A 1 ATOM 77 C CG1 . VAL A 0 11 . -15.771 2.786 18.756 1.00 94.41 11 A 1 ATOM 78 C CG2 . VAL A 0 11 . -16.032 2.071 16.406 1.00 94.41 11 A 1 ATOM 79 N N . SER A 0 12 . -15.226 6.336 17.935 1.00 93.78 12 A 1 ATOM 80 C CA . SER A 0 12 . -14.927 7.453 18.838 1.00 93.78 12 A 1 ATOM 81 C C . SER A 0 12 . -16.019 8.519 18.792 1.00 93.78 12 A 1 ATOM 82 C CB . SER A 0 12 . -13.574 8.083 18.496 1.00 93.78 12 A 1 ATOM 83 O O . SER A 0 12 . -16.456 8.977 19.840 1.00 93.78 12 A 1 ATOM 84 O OG . SER A 0 12 . -12.553 7.112 18.580 1.00 93.78 12 A 1 ATOM 85 N N . LEU A 0 13 . -16.527 8.848 17.600 1.00 94.65 13 A 1 ATOM 86 C CA . LEU A 0 13 . -17.632 9.788 17.412 1.00 94.65 13 A 1 ATOM 87 C C . LEU A 0 13 . -18.931 9.299 18.072 1.00 94.65 13 A 1 ATOM 88 C CB . LEU A 0 13 . -17.817 10.018 15.901 1.00 94.65 13 A 1 ATOM 89 O O . LEU A 0 13 . -19.669 10.084 18.660 1.00 94.65 13 A 1 ATOM 90 C CG . LEU A 0 13 . -18.859 11.093 15.551 1.00 94.65 13 A 1 ATOM 91 C CD1 . LEU A 0 13 . -18.408 12.485 15.998 1.00 94.65 13 A 1 ATOM 92 C CD2 . LEU A 0 13 . -19.073 11.116 14.038 1.00 94.65 13 A 1 ATOM 93 N N . HIS A 0 14 . -19.215 7.996 18.016 1.00 92.60 14 A 1 ATOM 94 C CA . HIS A 0 14 . -20.372 7.435 18.714 1.00 92.60 14 A 1 ATOM 95 C C . HIS A 0 14 . -20.200 7.483 20.242 1.00 92.60 14 A 1 ATOM 96 C CB . HIS A 0 14 . -20.619 6.004 18.224 1.00 92.60 14 A 1 ATOM 97 O O . HIS A 0 14 . -21.152 7.760 20.973 1.00 92.60 14 A 1 ATOM 98 C CG . HIS A 0 14 . -21.883 5.418 18.796 1.00 92.60 14 A 1 ATOM 99 C CD2 . HIS A 0 14 . -23.119 5.429 18.212 1.00 92.60 14 A 1 ATOM 100 N ND1 . HIS A 0 14 . -22.034 4.860 20.045 1.00 92.60 14 A 1 ATOM 101 C CE1 . HIS A 0 14 . -23.324 4.524 20.199 1.00 92.60 14 A 1 ATOM 102 N NE2 . HIS A 0 14 . -24.029 4.841 19.099 1.00 92.60 14 A 1 ATOM 103 N N . LEU A 0 15 . -18.990 7.229 20.743 1.00 91.94 15 A 1 ATOM 104 C CA . LEU A 0 15 . -18.691 7.317 22.174 1.00 91.94 15 A 1 ATOM 105 C C . LEU A 0 15 . -18.784 8.763 22.684 1.00 91.94 15 A 1 ATOM 106 C CB . LEU A 0 15 . -17.306 6.712 22.452 1.00 91.94 15 A 1 ATOM 107 O O . LEU A 0 15 . -19.371 8.991 23.742 1.00 91.94 15 A 1 ATOM 108 C CG . LEU A 0 15 . -17.206 5.193 22.217 1.00 91.94 15 A 1 ATOM 109 C CD1 . LEU A 0 15 . -15.754 4.751 22.394 1.00 91.94 15 A 1 ATOM 110 C CD2 . LEU A 0 15 . -18.077 4.389 23.183 1.00 91.94 15 A 1 ATOM 111 N N . THR A 0 16 . -18.283 9.743 21.926 1.00 92.95 16 A 1 ATOM 112 C CA . THR A 0 16 . -18.422 11.166 22.274 1.00 92.95 16 A 1 ATOM 113 C C . THR A 0 16 . -19.873 11.632 22.194 1.00 92.95 16 A 1 ATOM 114 C CB . THR A 0 16 . -17.549 12.079 21.404 1.00 92.95 16 A 1 ATOM 115 O O . THR A 0 16 . -20.294 12.432 23.026 1.00 92.95 16 A 1 ATOM 116 C CG2 . THR A 0 16 . -16.055 11.848 21.619 1.00 92.95 16 A 1 ATOM 117 O OG1 . THR A 0 16 . -17.814 11.896 20.039 1.00 92.95 16 A 1 ATOM 118 N N . TRP A 0 17 . -20.673 11.085 21.274 1.00 92.47 17 A 1 ATOM 119 C CA . TRP A 0 17 . -22.115 11.333 21.222 1.00 92.47 17 A 1 ATOM 120 C C . TRP A 0 17 . -22.847 10.811 22.467 1.00 92.47 17 A 1 ATOM 121 C CB . TRP A 0 17 . -22.689 10.708 19.950 1.00 92.47 17 A 1 ATOM 122 O O . TRP A 0 17 . -23.676 11.514 23.044 1.00 92.47 17 A 1 ATOM 123 C CG . TRP A 0 17 . -24.139 10.992 19.750 1.00 92.47 17 A 1 ATOM 124 C CD1 . TRP A 0 17 . -25.155 10.116 19.914 1.00 92.47 17 A 1 ATOM 125 C CD2 . TRP A 0 17 . -24.751 12.267 19.402 1.00 92.47 17 A 1 ATOM 126 C CE2 . TRP A 0 17 . -26.164 12.089 19.358 1.00 92.47 17 A 1 ATOM 127 C CE3 . TRP A 0 17 . -24.251 13.559 19.132 1.00 92.47 17 A 1 ATOM 128 N NE1 . TRP A 0 17 . -26.352 10.755 19.655 1.00 92.47 17 A 1 ATOM 129 C CH2 . TRP A 0 17 . -26.515 14.415 18.796 1.00 92.47 17 A 1 ATOM 130 C CZ2 . TRP A 0 17 . -27.044 13.140 19.062 1.00 92.47 17 A 1 ATOM 131 C CZ3 . TRP A 0 17 . -25.124 14.621 18.831 1.00 92.47 17 A 1 ATOM 132 N N . ASN A 0 18 . -22.511 9.603 22.930 1.00 92.55 18 A 1 ATOM 133 C CA . ASN A 0 18 . -23.043 9.069 24.188 1.00 92.55 18 A 1 ATOM 134 C C . ASN A 0 18 . -22.651 9.943 25.387 1.00 92.55 18 A 1 ATOM 135 C CB . ASN A 0 18 . -22.544 7.632 24.393 1.00 92.55 18 A 1 ATOM 136 O O . ASN A 0 18 . -23.504 10.233 26.225 1.00 92.55 18 A 1 ATOM 137 C CG . ASN A 0 18 . -23.299 6.583 23.604 1.00 92.55 18 A 1 ATOM 138 N ND2 . ASN A 0 18 . -22.730 5.401 23.537 1.00 92.55 18 A 1 ATOM 139 O OD1 . ASN A 0 18 . -24.418 6.762 23.139 1.00 92.55 18 A 1 ATOM 140 N N . PHE A 0 19 . -21.392 10.390 25.436 1.00 91.57 19 A 1 ATOM 141 C CA . PHE A 0 19 . -20.896 11.295 26.473 1.00 91.57 19 A 1 ATOM 142 C C . PHE A 0 19 . -21.649 12.633 26.473 1.00 91.57 19 A 1 ATOM 143 C CB . PHE A 0 19 . -19.388 11.496 26.271 1.00 91.57 19 A 1 ATOM 144 O O . PHE A 0 19 . -22.091 13.088 27.523 1.00 91.57 19 A 1 ATOM 145 C CG . PHE A 0 19 . -18.745 12.375 27.323 1.00 91.57 19 A 1 ATOM 146 C CD1 . PHE A 0 19 . -18.475 13.730 27.050 1.00 91.57 19 A 1 ATOM 147 C CD2 . PHE A 0 19 . -18.440 11.840 28.587 1.00 91.57 19 A 1 ATOM 148 C CE1 . PHE A 0 19 . -17.898 14.545 28.041 1.00 91.57 19 A 1 ATOM 149 C CE2 . PHE A 0 19 . -17.864 12.655 29.577 1.00 91.57 19 A 1 ATOM 150 C CZ . PHE A 0 19 . -17.594 14.007 29.304 1.00 91.57 19 A 1 ATOM 151 N N . TYR A 0 20 . -21.876 13.222 25.294 1.00 93.67 20 A 1 ATOM 152 C CA . TYR A 0 20 . -22.639 14.464 25.141 1.00 93.67 20 A 1 ATOM 153 C C . TYR A 0 20 . -24.090 14.332 25.632 1.00 93.67 20 A 1 ATOM 154 C CB . TYR A 0 20 . -22.598 14.884 23.666 1.00 93.67 20 A 1 ATOM 155 O O . TYR A 0 20 . -24.622 15.243 26.260 1.00 93.67 20 A 1 ATOM 156 C CG . TYR A 0 20 . -23.347 16.170 23.387 1.00 93.67 20 A 1 ATOM 157 C CD1 . TYR A 0 20 . -24.620 16.133 22.785 1.00 93.67 20 A 1 ATOM 158 C CD2 . TYR A 0 20 . -22.783 17.401 23.772 1.00 93.67 20 A 1 ATOM 159 C CE1 . TYR A 0 20 . -25.328 17.331 22.568 1.00 93.67 20 A 1 ATOM 160 C CE2 . TYR A 0 20 . -23.489 18.600 23.558 1.00 93.67 20 A 1 ATOM 161 O OH . TYR A 0 20 . -25.457 19.714 22.749 1.00 93.67 20 A 1 ATOM 162 C CZ . TYR A 0 20 . -24.766 18.564 22.957 1.00 93.67 20 A 1 ATOM 163 N N . LEU A 0 21 . -24.720 13.176 25.404 1.00 93.59 21 A 1 ATOM 164 C CA . LEU A 0 21 . -26.081 12.882 25.864 1.00 93.59 21 A 1 ATOM 165 C C . LEU A 0 21 . -26.166 12.447 27.339 1.00 93.59 21 A 1 ATOM 166 C CB . LEU A 0 21 . -26.712 11.838 24.925 1.00 93.59 21 A 1 ATOM 167 O O . LEU A 0 21 . -27.230 11.988 27.760 1.00 93.59 21 A 1 ATOM 168 C CG . LEU A 0 21 . -27.004 12.338 23.501 1.00 93.59 21 A 1 ATOM 169 C CD1 . LEU A 0 21 . -27.581 11.168 22.701 1.00 93.59 21 A 1 ATOM 170 C CD2 . LEU A 0 21 . -28.031 13.473 23.475 1.00 93.59 21 A 1 ATOM 171 N N . MET A 0 22 . -25.076 12.545 28.111 1.00 90.81 22 A 1 ATOM 172 C CA . MET A 0 22 . -24.997 12.088 29.508 1.00 90.81 22 A 1 ATOM 173 C C . MET A 0 22 . -25.399 10.614 29.679 1.00 90.81 22 A 1 ATOM 174 C CB . MET A 0 22 . -25.771 13.037 30.443 1.00 90.81 22 A 1 ATOM 175 O O . MET A 0 22 . -25.970 10.207 30.691 1.00 90.81 22 A 1 ATOM 176 C CG . MET A 0 22 . -25.268 14.481 30.368 1.00 90.81 22 A 1 ATOM 177 S SD . MET A 0 22 . -23.566 14.699 30.952 1.00 90.81 22 A 1 ATOM 178 C CE . MET A 0 22 . -23.325 16.435 30.500 1.00 90.81 22 A 1 ATOM 179 N N . ARG A 0 23 . -25.116 9.792 28.662 1.00 90.07 23 A 1 ATOM 180 C CA . ARG A 0 23 . -25.321 8.341 28.691 1.00 90.07 23 A 1 ATOM 181 C C . ARG A 0 23 . -23.995 7.658 29.021 1.00 90.07 23 A 1 ATOM 182 C CB . ARG A 0 23 . -25.902 7.860 27.353 1.00 90.07 23 A 1 ATOM 183 O O . ARG A 0 23 . -22.941 8.156 28.620 1.00 90.07 23 A 1 ATOM 184 C CG . ARG A 0 23 . -27.304 8.437 27.118 1.00 90.07 23 A 1 ATOM 185 C CD . ARG A 0 23 . -27.863 7.995 25.765 1.00 90.07 23 A 1 ATOM 186 N NE . ARG A 0 23 . -29.224 8.526 25.567 1.00 90.07 23 A 1 ATOM 187 N NH1 . ARG A 0 23 . -29.859 7.139 23.858 1.00 90.07 23 A 1 ATOM 188 N NH2 . ARG A 0 23 . -31.330 8.589 24.715 1.00 90.07 23 A 1 ATOM 189 C CZ . ARG A 0 23 . -30.129 8.085 24.717 1.00 90.07 23 A 1 ATOM 190 N N . PRO A 0 24 . -24.006 6.497 29.700 1.00 89.08 24 A 1 ATOM 191 C CA . PRO A 0 24 . -22.776 5.743 29.895 1.00 89.08 24 A 1 ATOM 192 C C . PRO A 0 24 . -22.145 5.401 28.538 1.00 89.08 24 A 1 ATOM 193 C CB . PRO A 0 24 . -23.173 4.500 30.690 1.00 89.08 24 A 1 ATOM 194 O O . PRO A 0 24 . -22.856 5.135 27.569 1.00 89.08 24 A 1 ATOM 195 C CG . PRO A 0 24 . -24.673 4.336 30.450 1.00 89.08 24 A 1 ATOM 196 C CD . PRO A 0 24 . -25.161 5.764 30.201 1.00 89.08 24 A 1 ATOM 197 N N . LEU A 0 25 . -20.812 5.377 28.460 1.00 84.96 25 A 1 ATOM 198 C CA . LEU A 0 25 . -20.087 5.151 27.199 1.00 84.96 25 A 1 ATOM 199 C C . LEU A 0 25 . -20.481 3.830 26.513 1.00 84.96 25 A 1 ATOM 200 C CB . LEU A 0 25 . -18.572 5.183 27.474 1.00 84.96 25 A 1 ATOM 201 O O . LEU A 0 25 . -20.574 3.772 25.289 1.00 84.96 25 A 1 ATOM 202 C CG . LEU A 0 25 . -18.015 6.555 27.899 1.00 84.96 25 A 1 ATOM 203 C CD1 . LEU A 0 25 . -16.532 6.413 28.241 1.00 84.96 25 A 1 ATOM 204 C CD2 . LEU A 0 25 . -18.155 7.604 26.794 1.00 84.96 25 A 1 ATOM 205 N N . TYR A 0 26 . -20.785 2.798 27.306 1.00 85.86 26 A 1 ATOM 206 C CA . TYR A 0 26 . -21.249 1.484 26.849 1.00 85.86 26 A 1 ATOM 207 C C . TYR A 0 26 . -22.740 1.444 26.455 1.00 85.86 26 A 1 ATOM 208 C CB . TYR A 0 26 . -20.931 0.447 27.936 1.00 85.86 26 A 1 ATOM 209 O O . TYR A 0 26 . -23.259 0.395 26.066 1.00 85.86 26 A 1 ATOM 210 C CG . TYR A 0 26 . -21.602 0.722 29.271 1.00 85.86 26 A 1 ATOM 211 C CD1 . TYR A 0 26 . -20.880 1.335 30.315 1.00 85.86 26 A 1 ATOM 212 C CD2 . TYR A 0 26 . -22.950 0.362 29.467 1.00 85.86 26 A 1 ATOM 213 C CE1 . TYR A 0 26 . -21.504 1.588 31.553 1.00 85.86 26 A 1 ATOM 214 C CE2 . TYR A 0 26 . -23.582 0.634 30.694 1.00 85.86 26 A 1 ATOM 215 O OH . TYR A 0 26 . -23.489 1.513 32.912 1.00 85.86 26 A 1 ATOM 216 C CZ . TYR A 0 26 . -22.861 1.244 31.740 1.00 85.86 26 A 1 ATOM 217 N N . ALA A 0 27 . -23.471 2.556 26.546 1.00 86.63 27 A 1 ATOM 218 C CA . ALA A 0 27 . -24.840 2.604 26.057 1.00 86.63 27 A 1 ATOM 219 C C . ALA A 0 27 . -24.850 2.366 24.539 1.00 86.63 27 A 1 ATOM 220 C CB . ALA A 0 27 . -25.488 3.942 26.427 1.00 86.63 27 A 1 ATOM 221 O O . ALA A 0 27 . -24.146 3.033 23.785 1.00 86.63 27 A 1 ATOM 222 N N . HIS A 0 28 . -25.699 1.453 24.067 1.00 88.28 28 A 1 ATOM 223 C CA . HIS A 0 28 . -25.868 1.177 22.636 1.00 88.28 28 A 1 ATOM 224 C C . HIS A 0 28 . -24.574 0.733 21.920 1.00 88.28 28 A 1 ATOM 225 C CB . HIS A 0 28 . -26.551 2.363 21.926 1.00 88.28 28 A 1 ATOM 226 O O . HIS A 0 28 . -24.335 1.131 20.781 1.00 88.28 28 A 1 ATOM 227 C CG . HIS A 0 28 . -27.775 2.900 22.616 1.00 88.28 28 A 1 ATOM 228 C CD2 . HIS A 0 28 . -29.074 2.622 22.301 1.00 88.28 28 A 1 ATOM 229 N ND1 . HIS A 0 28 . -27.793 3.760 23.688 1.00 88.28 28 A 1 ATOM 230 C CE1 . HIS A 0 28 . -29.074 3.951 24.045 1.00 88.28 28 A 1 ATOM 231 N NE2 . HIS A 0 28 . -29.893 3.311 23.197 1.00 88.28 28 A 1 ATOM 232 N N . LEU A 0 29 . -23.756 -0.126 22.543 1.00 90.12 29 A 1 ATOM 233 C CA . LEU A 0 29 . -22.536 -0.668 21.915 1.00 90.12 29 A 1 ATOM 234 C C . LEU A 0 29 . -22.783 -1.301 20.539 1.00 90.12 29 A 1 ATOM 235 C CB . LEU A 0 29 . -21.887 -1.716 22.837 1.00 90.12 29 A 1 ATOM 236 O O . LEU A 0 29 . -21.963 -1.139 19.641 1.00 90.12 29 A 1 ATOM 237 C CG . LEU A 0 29 . -21.073 -1.118 23.993 1.00 90.12 29 A 1 ATOM 238 C CD1 . LEU A 0 29 . -20.667 -2.225 24.963 1.00 90.12 29 A 1 ATOM 239 C CD2 . LEU A 0 29 . -19.818 -0.381 23.525 1.00 90.12 29 A 1 ATOM 240 N N . TYR A 0 30 . -23.933 -1.950 20.333 1.00 92.41 30 A 1 ATOM 241 C CA . TYR A 0 30 . -24.309 -2.495 19.024 1.00 92.41 30 A 1 ATOM 242 C C . TYR A 0 30 . -24.323 -1.420 17.922 1.00 92.41 30 A 1 ATOM 243 C CB . TYR A 0 30 . -25.675 -3.191 19.128 1.00 92.41 30 A 1 ATOM 244 O O . TYR A 0 30 . -23.928 -1.695 16.792 1.00 92.41 30 A 1 ATOM 245 C CG . TYR A 0 30 . -26.859 -2.257 19.324 1.00 92.41 30 A 1 ATOM 246 C CD1 . TYR A 0 30 . -27.289 -1.910 20.621 1.00 92.41 30 A 1 ATOM 247 C CD2 . TYR A 0 30 . -27.542 -1.753 18.200 1.00 92.41 30 A 1 ATOM 248 C CE1 . TYR A 0 30 . -28.398 -1.059 20.793 1.00 92.41 30 A 1 ATOM 249 C CE2 . TYR A 0 30 . -28.651 -0.902 18.367 1.00 92.41 30 A 1 ATOM 250 O OH . TYR A 0 30 . -30.152 0.270 19.821 1.00 92.41 30 A 1 ATOM 251 C CZ . TYR A 0 30 . -29.081 -0.554 19.664 1.00 92.41 30 A 1 ATOM 252 N N . ARG A 0 31 . -24.713 -0.177 18.249 1.00 92.14 31 A 1 ATOM 253 C CA . ARG A 0 31 . -24.671 0.957 17.315 1.00 92.14 31 A 1 ATOM 254 C C . ARG A 0 31 . -23.238 1.388 17.047 1.00 92.14 31 A 1 ATOM 255 C CB . ARG A 0 31 . -25.474 2.160 17.828 1.00 92.14 31 A 1 ATOM 256 O O . ARG A 0 31 . -22.909 1.621 15.894 1.00 92.14 31 A 1 ATOM 257 C CG . ARG A 0 31 . -26.961 1.868 18.005 1.00 92.14 31 A 1 ATOM 258 C CD . ARG A 0 31 . -27.720 3.141 18.388 1.00 92.14 31 A 1 ATOM 259 N NE . ARG A 0 31 . -29.138 2.847 18.665 1.00 92.14 31 A 1 ATOM 260 N NH1 . ARG A 0 31 . -29.831 4.996 19.065 1.00 92.14 31 A 1 ATOM 261 N NH2 . ARG A 0 31 . -31.315 3.322 19.086 1.00 92.14 31 A 1 ATOM 262 C CZ . ARG A 0 31 . -30.085 3.723 18.938 1.00 92.14 31 A 1 ATOM 263 N N . ALA A 0 32 . -22.382 1.448 18.068 1.00 91.98 32 A 1 ATOM 264 C CA . ALA A 0 32 . -20.964 1.764 17.887 1.00 91.98 32 A 1 ATOM 265 C C . ALA A 0 32 . -20.277 0.752 16.952 1.00 91.98 32 A 1 ATOM 266 C CB . ALA A 0 32 . -20.276 1.810 19.257 1.00 91.98 32 A 1 ATOM 267 O O . ALA A 0 32 . -19.552 1.146 16.040 1.00 91.98 32 A 1 ATOM 268 N N . VAL A 0 33 . -20.565 -0.543 17.125 1.00 94.19 33 A 1 ATOM 269 C CA . VAL A 0 33 . -20.061 -1.617 16.252 1.00 94.19 33 A 1 ATOM 270 C C . VAL A 0 33 . -20.614 -1.487 14.829 1.00 94.19 33 A 1 ATOM 271 C CB . VAL A 0 33 . -20.384 -3.001 16.850 1.00 94.19 33 A 1 ATOM 272 O O . VAL A 0 33 . -19.860 -1.628 13.864 1.00 94.19 33 A 1 ATOM 273 C CG1 . VAL A 0 33 . -19.966 -4.148 15.921 1.00 94.19 33 A 1 ATOM 274 C CG2 . VAL A 0 33 . -19.649 -3.208 18.182 1.00 94.19 33 A 1 ATOM 275 N N . LEU A 0 34 . -21.902 -1.168 14.671 1.00 94.88 34 A 1 ATOM 276 C CA . LEU A 0 34 . -22.515 -0.933 13.359 1.00 94.88 34 A 1 ATOM 277 C C . LEU A 0 34 . -21.871 0.269 12.652 1.00 94.88 34 A 1 ATOM 278 C CB . LEU A 0 34 . -24.035 -0.789 13.544 1.00 94.88 34 A 1 ATOM 279 O O . LEU A 0 34 . -21.458 0.147 11.502 1.00 94.88 34 A 1 ATOM 280 C CG . LEU A 0 34 . -24.857 -0.788 12.239 1.00 94.88 34 A 1 ATOM 281 C CD1 . LEU A 0 34 . -26.319 -1.084 12.580 1.00 94.88 34 A 1 ATOM 282 C CD2 . LEU A 0 34 . -24.837 0.551 11.494 1.00 94.88 34 A 1 ATOM 283 N N . TRP A 0 35 . -21.709 1.400 13.340 1.00 94.00 35 A 1 ATOM 284 C CA . TRP A 0 35 . -21.055 2.590 12.788 1.00 94.00 35 A 1 ATOM 285 C C . TRP A 0 35 . -19.591 2.331 12.426 1.00 94.00 35 A 1 ATOM 286 C CB . TRP A 0 35 . -21.180 3.761 13.772 1.00 94.00 35 A 1 ATOM 287 O O . TRP A 0 35 . -19.162 2.702 11.334 1.00 94.00 35 A 1 ATOM 288 C CG . TRP A 0 35 . -22.525 4.419 13.777 1.00 94.00 35 A 1 ATOM 289 C CD1 . TRP A 0 35 . -23.400 4.448 14.806 1.00 94.00 35 A 1 ATOM 290 C CD2 . TRP A 0 35 . -23.155 5.174 12.699 1.00 94.00 35 A 1 ATOM 291 C CE2 . TRP A 0 35 . -24.434 5.620 13.147 1.00 94.00 35 A 1 ATOM 292 C CE3 . TRP A 0 35 . -22.767 5.536 11.391 1.00 94.00 35 A 1 ATOM 293 N NE1 . TRP A 0 35 . -24.533 5.147 14.437 1.00 94.00 35 A 1 ATOM 294 C CH2 . TRP A 0 35 . -24.874 6.725 11.043 1.00 94.00 35 A 1 ATOM 295 C CZ2 . TRP A 0 35 . -25.290 6.382 12.340 1.00 94.00 35 A 1 ATOM 296 C CZ3 . TRP A 0 35 . -23.617 6.304 10.572 1.00 94.00 35 A 1 ATOM 297 N N . GLY A 0 36 . -18.835 1.654 13.296 1.00 95.20 36 A 1 ATOM 298 C CA . GLY A 0 36 . -17.439 1.299 13.040 1.00 95.20 36 A 1 ATOM 299 C C . GLY A 0 36 . -17.273 0.355 11.847 1.00 95.20 36 A 1 ATOM 300 O O . GLY A 0 36 . -16.464 0.618 10.956 1.00 95.20 36 A 1 ATOM 301 N N . SER A 0 37 . -18.070 -0.716 11.787 1.00 95.68 37 A 1 ATOM 302 C CA . SER A 0 37 . -18.042 -1.677 10.673 1.00 95.68 37 A 1 ATOM 303 C C . SER A 0 37 . -18.531 -1.062 9.358 1.00 95.68 37 A 1 ATOM 304 C CB . SER A 0 37 . -18.841 -2.942 11.009 1.00 95.68 37 A 1 ATOM 305 O O . SER A 0 37 . -17.897 -1.257 8.320 1.00 95.68 37 A 1 ATOM 306 O OG . SER A 0 37 . -20.187 -2.642 11.307 1.00 95.68 37 A 1 ATOM 307 N N . GLY A 0 38 . -19.591 -0.249 9.392 1.00 96.25 38 A 1 ATOM 308 C CA . GLY A 0 38 . -20.086 0.491 8.232 1.00 96.25 38 A 1 ATOM 309 C C . GLY A 0 38 . -19.043 1.462 7.676 1.00 96.25 38 A 1 ATOM 310 O O . GLY A 0 38 . -18.748 1.436 6.479 1.00 96.25 38 A 1 ATOM 311 N N . ALA A 0 39 . -18.411 2.259 8.543 1.00 95.76 39 A 1 ATOM 312 C CA . ALA A 0 39 . -17.334 3.169 8.154 1.00 95.76 39 A 1 ATOM 313 C C . ALA A 0 39 . -16.122 2.418 7.575 1.00 95.76 39 A 1 ATOM 314 C CB . ALA A 0 39 . -16.937 4.007 9.373 1.00 95.76 39 A 1 ATOM 315 O O . ALA A 0 39 . -15.537 2.862 6.582 1.00 95.76 39 A 1 ATOM 316 N N . TYR A 0 40 . -15.769 1.258 8.137 1.00 97.00 40 A 1 ATOM 317 C CA . TYR A 0 40 . -14.700 0.407 7.612 1.00 97.00 40 A 1 ATOM 318 C C . TYR A 0 40 . -14.997 -0.095 6.191 1.00 97.00 40 A 1 ATOM 319 C CB . TYR A 0 40 . -14.481 -0.783 8.551 1.00 97.00 40 A 1 ATOM 320 O O . TYR A 0 40 . -14.147 -0.007 5.304 1.00 97.00 40 A 1 ATOM 321 C CG . TYR A 0 40 . -13.333 -1.664 8.110 1.00 97.00 40 A 1 ATOM 322 C CD1 . TYR A 0 40 . -13.584 -2.805 7.323 1.00 97.00 40 A 1 ATOM 323 C CD2 . TYR A 0 40 . -12.013 -1.318 8.454 1.00 97.00 40 A 1 ATOM 324 C CE1 . TYR A 0 40 . -12.512 -3.598 6.875 1.00 97.00 40 A 1 ATOM 325 C CE2 . TYR A 0 40 . -10.938 -2.112 8.013 1.00 97.00 40 A 1 ATOM 326 O OH . TYR A 0 40 . -10.154 -4.013 6.771 1.00 97.00 40 A 1 ATOM 327 C CZ . TYR A 0 40 . -11.188 -3.252 7.218 1.00 97.00 40 A 1 ATOM 328 N N . ILE A 0 41 . -16.212 -0.592 5.943 1.00 96.69 41 A 1 ATOM 329 C CA . ILE A 0 41 . -16.605 -1.104 4.622 1.00 96.69 41 A 1 ATOM 330 C C . ILE A 0 41 . -16.595 0.027 3.586 1.00 96.69 41 A 1 ATOM 331 C CB . ILE A 0 41 . -17.973 -1.819 4.706 1.00 96.69 41 A 1 ATOM 332 O O . ILE A 0 41 . -15.978 -0.117 2.529 1.00 96.69 41 A 1 ATOM 333 C CG1 . ILE A 0 41 . -17.846 -3.109 5.552 1.00 96.69 41 A 1 ATOM 334 C CG2 . ILE A 0 41 . -18.500 -2.170 3.301 1.00 96.69 41 A 1 ATOM 335 C CD1 . ILE A 0 41 . -19.196 -3.695 5.983 1.00 96.69 41 A 1 ATOM 336 N N . ILE A 0 42 . -17.211 1.170 3.905 1.00 96.94 42 A 1 ATOM 337 C CA . ILE A 0 42 . -17.272 2.330 3.002 1.00 96.94 42 A 1 ATOM 338 C C . ILE A 0 42 . -15.861 2.829 2.669 1.00 96.94 42 A 1 ATOM 339 C CB . ILE A 0 42 . -18.142 3.448 3.626 1.00 96.94 42 A 1 ATOM 340 O O . ILE A 0 42 . -15.514 2.996 1.499 1.00 96.94 42 A 1 ATOM 341 C CG1 . ILE A 0 42 . -19.619 2.994 3.702 1.00 96.94 42 A 1 ATOM 342 C CG2 . ILE A 0 42 . -18.042 4.754 2.812 1.00 96.94 42 A 1 ATOM 343 C CD1 . ILE A 0 42 . -20.493 3.889 4.591 1.00 96.94 42 A 1 ATOM 344 N N . SER A 0 43 . -15.021 3.033 3.685 1.00 96.06 43 A 1 ATOM 345 C CA . SER A 0 43 . -13.651 3.523 3.494 1.00 96.06 43 A 1 ATOM 346 C C . SER A 0 43 . -12.789 2.558 2.674 1.00 96.06 43 A 1 ATOM 347 C CB . SER A 0 43 . -13.000 3.808 4.845 1.00 96.06 43 A 1 ATOM 348 O O . SER A 0 43 . -12.012 3.000 1.822 1.00 96.06 43 A 1 ATOM 349 O OG . SER A 0 43 . -12.988 2.657 5.652 1.00 96.06 43 A 1 ATOM 350 N N . ARG A 0 44 . -12.967 1.244 2.851 1.00 96.95 44 A 1 ATOM 351 C CA . ARG A 0 44 . -12.293 0.214 2.051 1.00 96.95 44 A 1 ATOM 352 C C . ARG A 0 44 . -12.700 0.266 0.578 1.00 96.95 44 A 1 ATOM 353 C CB . ARG A 0 44 . -12.589 -1.152 2.678 1.00 96.95 44 A 1 ATOM 354 O O . ARG A 0 44 . -11.825 0.189 -0.287 1.00 96.95 44 A 1 ATOM 355 C CG . ARG A 0 44 . -11.814 -2.290 2.005 1.00 96.95 44 A 1 ATOM 356 C CD . ARG A 0 44 . -12.168 -3.598 2.712 1.00 96.95 44 A 1 ATOM 357 N NE . ARG A 0 44 . -11.364 -4.732 2.217 1.00 96.95 44 A 1 ATOM 358 N NH1 . ARG A 0 44 . -13.077 -6.251 1.967 1.00 96.95 44 A 1 ATOM 359 N NH2 . ARG A 0 44 . -10.958 -6.921 1.749 1.00 96.95 44 A 1 ATOM 360 C CZ . ARG A 0 44 . -11.806 -5.955 1.980 1.00 96.95 44 A 1 ATOM 361 N N . GLU A 0 45 . -13.986 0.418 0.274 1.00 96.66 45 A 1 ATOM 362 C CA . GLU A 0 45 . -14.458 0.545 -1.113 1.00 96.66 45 A 1 ATOM 363 C C . GLU A 0 45 . -13.960 1.835 -1.774 1.00 96.66 45 A 1 ATOM 364 C CB . GLU A 0 45 . -15.992 0.447 -1.179 1.00 96.66 45 A 1 ATOM 365 O O . GLU A 0 45 . -13.471 1.813 -2.909 1.00 96.66 45 A 1 ATOM 366 C CG . GLU A 0 45 . -16.525 -0.966 -0.881 1.00 96.66 45 A 1 ATOM 367 C CD . GLU A 0 45 . -15.829 -2.049 -1.724 1.00 96.66 45 A 1 ATOM 368 O OE1 . GLU A 0 45 . -15.420 -3.088 -1.155 1.00 96.66 45 A 1 ATOM 369 O OE2 . GLU A 0 45 . -15.545 -1.816 -2.921 1.00 96.66 45 A 1 ATOM 370 N N . VAL A 0 46 . -13.963 2.946 -1.037 1.00 96.81 46 A 1 ATOM 371 C CA . VAL A 0 46 . -13.382 4.215 -1.497 1.00 96.81 46 A 1 ATOM 372 C C . VAL A 0 46 . -11.885 4.053 -1.795 1.00 96.81 46 A 1 ATOM 373 C CB . VAL A 0 46 . -13.657 5.318 -0.458 1.00 96.81 46 A 1 ATOM 374 O O . VAL A 0 46 . -11.418 4.437 -2.872 1.00 96.81 46 A 1 ATOM 375 C CG1 . VAL A 0 46 . -12.892 6.604 -0.768 1.00 96.81 46 A 1 ATOM 376 C CG2 . VAL A 0 46 . -15.148 5.679 -0.428 1.00 96.81 46 A 1 ATOM 377 N N . GLN A 0 47 . -11.123 3.422 -0.897 1.00 96.31 47 A 1 ATOM 378 C CA . GLN A 0 47 . -9.695 3.168 -1.101 1.00 96.31 47 A 1 ATOM 379 C C . GLN A 0 47 . -9.438 2.285 -2.333 1.00 96.31 47 A 1 ATOM 380 C CB . GLN A 0 47 . -9.108 2.533 0.169 1.00 96.31 47 A 1 ATOM 381 O O . GLN A 0 47 . -8.526 2.569 -3.117 1.00 96.31 47 A 1 ATOM 382 C CG . GLN A 0 47 . -7.574 2.471 0.107 1.00 96.31 47 A 1 ATOM 383 C CD . GLN A 0 47 . -6.944 1.849 1.347 1.00 96.31 47 A 1 ATOM 384 N NE2 . GLN A 0 47 . -5.657 2.034 1.552 1.00 96.31 47 A 1 ATOM 385 O OE1 . GLN A 0 47 . -7.559 1.164 2.141 1.00 96.31 47 A 1 ATOM 386 N N . ARG A 0 48 . -10.260 1.250 -2.545 1.00 96.49 48 A 1 ATOM 387 C CA . ARG A 0 48 . -10.214 0.395 -3.743 1.00 96.49 48 A 1 ATOM 388 C C . ARG A 0 48 . -10.465 1.199 -5.017 1.00 96.49 48 A 1 ATOM 389 C CB . ARG A 0 48 . -11.250 -0.731 -3.614 1.00 96.49 48 A 1 ATOM 390 O O . ARG A 0 48 . -9.724 1.032 -5.986 1.00 96.49 48 A 1 ATOM 391 C CG . ARG A 0 48 . -10.822 -1.828 -2.633 1.00 96.49 48 A 1 ATOM 392 C CD . ARG A 0 48 . -12.028 -2.716 -2.310 1.00 96.49 48 A 1 ATOM 393 N NE . ARG A 0 48 . -11.619 -3.938 -1.602 1.00 96.49 48 A 1 ATOM 394 N NH1 . ARG A 0 48 . -13.652 -5.019 -1.735 1.00 96.49 48 A 1 ATOM 395 N NH2 . ARG A 0 48 . -11.859 -6.125 -1.065 1.00 96.49 48 A 1 ATOM 396 C CZ . ARG A 0 48 . -12.384 -5.002 -1.462 1.00 96.49 48 A 1 ATOM 397 N N . ALA A 0 49 . -11.454 2.091 -5.022 1.00 97.20 49 A 1 ATOM 398 C CA . ALA A 0 49 . -11.743 2.954 -6.167 1.00 97.20 49 A 1 ATOM 399 C C . ALA A 0 49 . -10.562 3.885 -6.500 1.00 97.20 49 A 1 ATOM 400 C CB . ALA A 0 49 . -13.030 3.735 -5.880 1.00 97.20 49 A 1 ATOM 401 O O . ALA A 0 49 . -10.163 3.986 -7.664 1.00 97.20 49 A 1 ATOM 402 N N . PHE A 0 50 . -9.944 4.506 -5.491 1.00 97.01 50 A 1 ATOM 403 C CA . PHE A 0 50 . -8.739 5.319 -5.687 1.00 97.01 50 A 1 ATOM 404 C C . PHE A 0 50 . -7.552 4.498 -6.193 1.00 97.01 50 A 1 ATOM 405 C CB . PHE A 0 50 . -8.363 6.034 -4.384 1.00 97.01 50 A 1 ATOM 406 O O . PHE A 0 50 . -6.832 4.948 -7.085 1.00 97.01 50 A 1 ATOM 407 C CG . PHE A 0 50 . -9.196 7.265 -4.106 1.00 97.01 50 A 1 ATOM 408 C CD1 . PHE A 0 50 . -9.092 8.384 -4.956 1.00 97.01 50 A 1 ATOM 409 C CD2 . PHE A 0 50 . -10.043 7.318 -2.985 1.00 97.01 50 A 1 ATOM 410 C CE1 . PHE A 0 50 . -9.848 9.540 -4.697 1.00 97.01 50 A 1 ATOM 411 C CE2 . PHE A 0 50 . -10.793 8.479 -2.726 1.00 97.01 50 A 1 ATOM 412 C CZ . PHE A 0 50 . -10.703 9.585 -3.584 1.00 97.01 50 A 1 ATOM 413 N N . HIS A 0 51 . -7.351 3.291 -5.662 1.00 97.13 51 A 1 ATOM 414 C CA . HIS A 0 51 . -6.281 2.406 -6.114 1.00 97.13 51 A 1 ATOM 415 C C . HIS A 0 51 . -6.463 2.009 -7.585 1.00 97.13 51 A 1 ATOM 416 C CB . HIS A 0 51 . -6.198 1.188 -5.190 1.00 97.13 51 A 1 ATOM 417 O O . HIS A 0 51 . -5.522 2.142 -8.364 1.00 97.13 51 A 1 ATOM 418 C CG . HIS A 0 51 . -5.025 0.307 -5.522 1.00 97.13 51 A 1 ATOM 419 C CD2 . HIS A 0 51 . -5.067 -0.882 -6.197 1.00 97.13 51 A 1 ATOM 420 N ND1 . HIS A 0 51 . -3.701 0.563 -5.235 1.00 97.13 51 A 1 ATOM 421 C CE1 . HIS A 0 51 . -2.966 -0.451 -5.723 1.00 97.13 51 A 1 ATOM 422 N NE2 . HIS A 0 51 . -3.760 -1.352 -6.315 1.00 97.13 51 A 1 ATOM 423 N N . LYS A 0 52 . -7.682 1.639 -8.004 1.00 97.83 52 A 1 ATOM 424 C CA . LYS A 0 52 . -7.999 1.344 -9.414 1.00 97.83 52 A 1 ATOM 425 C C . LYS A 0 52 . -7.665 2.520 -10.339 1.00 97.83 52 A 1 ATOM 426 C CB . LYS A 0 52 . -9.479 0.954 -9.558 1.00 97.83 52 A 1 ATOM 427 O O . LYS A 0 52 . -7.031 2.314 -11.371 1.00 97.83 52 A 1 ATOM 428 C CG . LYS A 0 52 . -9.788 -0.452 -9.020 1.00 97.83 52 A 1 ATOM 429 C CD . LYS A 0 52 . -11.293 -0.748 -9.127 1.00 97.83 52 A 1 ATOM 430 C CE . LYS A 0 52 . -11.624 -2.144 -8.579 1.00 97.83 52 A 1 ATOM 431 N NZ . LYS A 0 52 . -13.074 -2.457 -8.695 1.00 97.83 52 A 1 ATOM 432 N N . LYS A 0 53 . -8.023 3.753 -9.953 1.00 97.89 53 A 1 ATOM 433 C CA . LYS A 0 53 . -7.674 4.969 -10.715 1.00 97.89 53 A 1 ATOM 434 C C . LYS A 0 53 . -6.158 5.168 -10.828 1.00 97.89 53 A 1 ATOM 435 C CB . LYS A 0 53 . -8.335 6.209 -10.089 1.00 97.89 53 A 1 ATOM 436 O O . LYS A 0 53 . -5.665 5.443 -11.918 1.00 97.89 53 A 1 ATOM 437 C CG . LYS A 0 53 . -9.855 6.255 -10.311 1.00 97.89 53 A 1 ATOM 438 C CD . LYS A 0 53 . -10.457 7.532 -9.702 1.00 97.89 53 A 1 ATOM 439 C CE . LYS A 0 53 . -11.967 7.599 -9.973 1.00 97.89 53 A 1 ATOM 440 N NZ . LYS A 0 53 . -12.571 8.865 -9.477 1.00 97.89 53 A 1 ATOM 441 N N . LYS A 0 54 . -5.415 4.989 -9.728 1.00 98.01 54 A 1 ATOM 442 C CA . LYS A 0 54 . -3.942 5.089 -9.719 1.00 98.01 54 A 1 ATOM 443 C C . LYS A 0 54 . -3.296 4.045 -10.629 1.00 98.01 54 A 1 ATOM 444 C CB . LYS A 0 54 . -3.395 4.956 -8.288 1.00 98.01 54 A 1 ATOM 445 O O . LYS A 0 54 . -2.428 4.394 -11.421 1.00 98.01 54 A 1 ATOM 446 C CG . LYS A 0 54 . -3.669 6.201 -7.433 1.00 98.01 54 A 1 ATOM 447 C CD . LYS A 0 54 . -3.103 6.019 -6.017 1.00 98.01 54 A 1 ATOM 448 C CE . LYS A 0 54 . -3.368 7.277 -5.180 1.00 98.01 54 A 1 ATOM 449 N NZ . LYS A 0 54 . -2.700 7.219 -3.854 1.00 98.01 54 A 1 ATOM 450 N N . VAL A 0 55 . -3.745 2.792 -10.556 1.00 98.20 55 A 1 ATOM 451 C CA . VAL A 0 55 . -3.240 1.702 -11.405 1.00 98.20 55 A 1 ATOM 452 C C . VAL A 0 55 . -3.523 1.980 -12.880 1.00 98.20 55 A 1 ATOM 453 C CB . VAL A 0 55 . -3.833 0.347 -10.969 1.00 98.20 55 A 1 ATOM 454 O O . VAL A 0 55 . -2.620 1.849 -13.700 1.00 98.20 55 A 1 ATOM 455 C CG1 . VAL A 0 55 . -3.483 -0.788 -11.940 1.00 98.20 55 A 1 ATOM 456 C CG2 . VAL A 0 55 . -3.296 -0.052 -9.589 1.00 98.20 55 A 1 ATOM 457 N N . ALA A 0 56 . -4.736 2.423 -13.224 1.00 98.19 56 A 1 ATOM 458 C CA . ALA A 0 56 . -5.079 2.783 -14.599 1.00 98.19 56 A 1 ATOM 459 C C . ALA A 0 56 . -4.193 3.920 -15.138 1.00 98.19 56 A 1 ATOM 460 C CB . ALA A 0 56 . -6.566 3.152 -14.650 1.00 98.19 56 A 1 ATOM 461 O O . ALA A 0 56 . -3.704 3.838 -16.262 1.00 98.19 56 A 1 ATOM 462 N N . HIS A 0 57 . -3.932 4.944 -14.321 1.00 98.14 57 A 1 ATOM 463 C CA . HIS A 0 57 . -3.055 6.054 -14.690 1.00 98.14 57 A 1 ATOM 464 C C . HIS A 0 57 . -1.599 5.610 -14.903 1.00 98.14 57 A 1 ATOM 465 C CB . HIS A 0 57 . -3.160 7.134 -13.611 1.00 98.14 57 A 1 ATOM 466 O O . HIS A 0 57 . -1.000 5.944 -15.923 1.00 98.14 57 A 1 ATOM 467 C CG . HIS A 0 57 . -2.329 8.348 -13.921 1.00 98.14 57 A 1 ATOM 468 C CD2 . HIS A 0 57 . -1.244 8.794 -13.217 1.00 98.14 57 A 1 ATOM 469 N ND1 . HIS A 0 57 . -2.516 9.215 -14.973 1.00 98.14 57 A 1 ATOM 470 C CE1 . HIS A 0 57 . -1.573 10.169 -14.897 1.00 98.14 57 A 1 ATOM 471 N NE2 . HIS A 0 57 . -0.787 9.960 -13.831 1.00 98.14 57 A 1 ATOM 472 N N . LEU A 0 58 . -1.042 4.809 -13.986 1.00 98.26 58 A 1 ATOM 473 C CA . LEU A 0 58 . 0.315 4.269 -14.123 1.00 98.26 58 A 1 ATOM 474 C C . LEU A 0 58 . 0.446 3.368 -15.355 1.00 98.26 58 A 1 ATOM 475 C CB . LEU A 0 58 . 0.698 3.495 -12.851 1.00 98.26 58 A 1 ATOM 476 O O . LEU A 0 58 . 1.418 3.490 -16.095 1.00 98.26 58 A 1 ATOM 477 C CG . LEU A 0 58 . 0.938 4.377 -11.614 1.00 98.26 58 A 1 ATOM 478 C CD1 . LEU A 0 58 . 1.153 3.483 -10.392 1.00 98.26 58 A 1 ATOM 479 C CD2 . LEU A 0 58 . 2.159 5.285 -11.770 1.00 98.26 58 A 1 ATOM 480 N N . LYS A 0 59 . -0.559 2.525 -15.620 1.00 98.12 59 A 1 ATOM 481 C CA . LYS A 0 59 . -0.606 1.683 -16.820 1.00 98.12 59 A 1 ATOM 482 C C . LYS A 0 59 . -0.638 2.523 -18.100 1.00 98.12 59 A 1 ATOM 483 C CB . LYS A 0 59 . -1.808 0.732 -16.720 1.00 98.12 59 A 1 ATOM 484 O O . LYS A 0 59 . 0.038 2.179 -19.060 1.00 98.12 59 A 1 ATOM 485 C CG . LYS A 0 59 . -1.813 -0.287 -17.866 1.00 98.12 59 A 1 ATOM 486 C CD . LYS A 0 59 . -2.972 -1.283 -17.743 1.00 98.12 59 A 1 ATOM 487 C CE . LYS A 0 59 . -2.878 -2.281 -18.904 1.00 98.12 59 A 1 ATOM 488 N NZ . LYS A 0 59 . -3.950 -3.306 -18.862 1.00 98.12 59 A 1 ATOM 489 N N . ALA A 0 60 . -1.385 3.628 -18.119 1.00 97.60 60 A 1 ATOM 490 C CA . ALA A 0 60 . -1.409 4.535 -19.266 1.00 97.60 60 A 1 ATOM 491 C C . ALA A 0 60 . -0.037 5.185 -19.519 1.00 97.60 60 A 1 ATOM 492 C CB . ALA A 0 60 . -2.504 5.585 -19.047 1.00 97.60 60 A 1 ATOM 493 O O . ALA A 0 60 . 0.392 5.274 -20.667 1.00 97.60 60 A 1 ATOM 494 N N . ILE A 0 61 . 0.673 5.587 -18.458 1.00 96.69 61 A 1 ATOM 495 C CA . ILE A 0 61 . 2.043 6.116 -18.565 1.00 96.69 61 A 1 ATOM 496 C C . ILE A 0 61 . 2.995 5.054 -19.123 1.00 96.69 61 A 1 ATOM 497 C CB . ILE A 0 61 . 2.537 6.639 -17.195 1.00 96.69 61 A 1 ATOM 498 O O . ILE A 0 61 . 3.823 5.365 -19.976 1.00 96.69 61 A 1 ATOM 499 C CG1 . ILE A 0 61 . 1.736 7.893 -16.784 1.00 96.69 61 A 1 ATOM 500 C CG2 . ILE A 0 61 . 4.046 6.966 -17.232 1.00 96.69 61 A 1 ATOM 501 C CD1 . ILE A 0 61 . 1.928 8.290 -15.315 1.00 96.69 61 A 1 ATOM 502 N N . ASP A 0 62 . 2.890 3.816 -18.645 1.00 96.14 62 A 1 ATOM 503 C CA . ASP A 0 62 . 3.746 2.713 -19.085 1.00 96.14 62 A 1 ATOM 504 C C . ASP A 0 62 . 3.520 2.366 -20.566 1.00 96.14 62 A 1 ATOM 505 C CB . ASP A 0 62 . 3.488 1.518 -18.161 1.00 96.14 62 A 1 ATOM 506 O O . ASP A 0 62 . 4.469 2.277 -21.343 1.00 96.14 62 A 1 ATOM 507 C CG . ASP A 0 62 . 4.542 0.428 -18.331 1.00 96.14 62 A 1 ATOM 508 O OD1 . ASP A 0 62 . 5.733 0.804 -18.404 1.00 96.14 62 A 1 ATOM 509 O OD2 . ASP A 0 62 . 4.133 -0.753 -18.318 1.00 96.14 62 A 1 ATOM 510 N N . ILE A 0 63 . 2.253 2.304 -20.993 1.00 97.15 63 A 1 ATOM 511 C CA . ILE A 0 63 . 1.881 2.141 -22.407 1.00 97.15 63 A 1 ATOM 512 C C . ILE A 0 63 . 2.428 3.297 -23.255 1.00 97.15 63 A 1 ATOM 513 C CB . ILE A 0 63 . 0.347 2.002 -22.548 1.00 97.15 63 A 1 ATOM 514 O O . ILE A 0 63 . 2.972 3.067 -24.330 1.00 97.15 63 A 1 ATOM 515 C CG1 . ILE A 0 63 . -0.130 0.663 -21.936 1.00 97.15 63 A 1 ATOM 516 C CG2 . ILE A 0 63 . -0.089 2.075 -24.026 1.00 97.15 63 A 1 ATOM 517 C CD1 . ILE A 0 63 . -1.648 0.588 -21.726 1.00 97.15 63 A 1 ATOM 518 N N . TYR A 0 64 . 2.331 4.542 -22.782 1.00 96.42 64 A 1 ATOM 519 C CA . TYR A 0 64 . 2.866 5.688 -23.519 1.00 96.42 64 A 1 ATOM 520 C C . TYR A 0 64 . 4.391 5.603 -23.699 1.00 96.42 64 A 1 ATOM 521 C CB . TYR A 0 64 . 2.467 6.981 -22.799 1.00 96.42 64 A 1 ATOM 522 O O . TYR A 0 64 . 4.906 5.879 -24.782 1.00 96.42 64 A 1 ATOM 523 C CG . TYR A 0 64 . 2.978 8.227 -23.491 1.00 96.42 64 A 1 ATOM 524 C CD1 . TYR A 0 64 . 4.182 8.828 -23.073 1.00 96.42 64 A 1 ATOM 525 C CD2 . TYR A 0 64 . 2.277 8.749 -24.593 1.00 96.42 64 A 1 ATOM 526 C CE1 . TYR A 0 64 . 4.687 9.950 -23.759 1.00 96.42 64 A 1 ATOM 527 C CE2 . TYR A 0 64 . 2.778 9.870 -25.282 1.00 96.42 64 A 1 ATOM 528 O OH . TYR A 0 64 . 4.486 11.536 -25.554 1.00 96.42 64 A 1 ATOM 529 C CZ . TYR A 0 64 . 3.987 10.468 -24.871 1.00 96.42 64 A 1 ATOM 530 N N . LYS A 0 65 . 5.120 5.191 -22.654 1.00 95.12 65 A 1 ATOM 531 C CA . LYS A 0 65 . 6.578 5.005 -22.715 1.00 95.12 65 A 1 ATOM 532 C C . LYS A 0 65 . 6.981 3.896 -23.685 1.00 95.12 65 A 1 ATOM 533 C CB . LYS A 0 65 . 7.127 4.687 -21.322 1.00 95.12 65 A 1 ATOM 534 O O . LYS A 0 65 . 7.958 4.073 -24.403 1.00 95.12 65 A 1 ATOM 535 C CG . LYS A 0 65 . 7.146 5.910 -20.400 1.00 95.12 65 A 1 ATOM 536 C CD . LYS A 0 65 . 7.636 5.466 -19.021 1.00 95.12 65 A 1 ATOM 537 C CE . LYS A 0 65 . 7.691 6.648 -18.056 1.00 95.12 65 A 1 ATOM 538 N NZ . LYS A 0 65 . 8.184 6.191 -16.736 1.00 95.12 65 A 1 ATOM 539 N N . SER A 0 66 . 6.244 2.783 -23.719 1.00 94.31 66 A 1 ATOM 540 C CA . SER A 0 66 . 6.551 1.666 -24.623 1.00 94.31 66 A 1 ATOM 541 C C . SER A 0 66 . 6.238 1.980 -26.087 1.00 94.31 66 A 1 ATOM 542 C CB . SER A 0 66 . 5.837 0.391 -24.169 1.00 94.31 66 A 1 ATOM 543 O O . SER A 0 66 . 6.958 1.523 -26.970 1.00 94.31 66 A 1 ATOM 544 O OG . SER A 0 66 . 4.433 0.494 -24.291 1.00 94.31 66 A 1 ATOM 545 N N . GLN A 0 67 . 5.215 2.798 -26.352 1.00 96.18 67 A 1 ATOM 546 C CA . GLN A 0 67 . 4.867 3.247 -27.705 1.00 96.18 67 A 1 ATOM 547 C C . GLN A 0 67 . 5.850 4.275 -28.279 1.00 96.18 67 A 1 ATOM 548 C CB . GLN A 0 67 . 3.455 3.850 -27.684 1.00 96.18 67 A 1 ATOM 549 O O . GLN A 0 67 . 6.047 4.313 -29.491 1.00 96.18 67 A 1 ATOM 550 C CG . GLN A 0 67 . 2.375 2.769 -27.557 1.00 96.18 67 A 1 ATOM 551 C CD . GLN A 0 67 . 0.968 3.350 -27.478 1.00 96.18 67 A 1 ATOM 552 N NE2 . GLN A 0 67 . -0.036 2.581 -27.843 1.00 96.18 67 A 1 ATOM 553 O OE1 . GLN A 0 67 . 0.720 4.484 -27.098 1.00 96.18 67 A 1 ATOM 554 N N . PHE A 0 68 . 6.453 5.116 -27.432 1.00 94.62 68 A 1 ATOM 555 C CA . PHE A 0 68 . 7.324 6.213 -27.863 1.00 94.62 68 A 1 ATOM 556 C C . PHE A 0 68 . 8.655 6.236 -27.093 1.00 94.62 68 A 1 ATOM 557 C CB . PHE A 0 68 . 6.570 7.546 -27.747 1.00 94.62 68 A 1 ATOM 558 O O . PHE A 0 68 . 8.913 7.198 -26.357 1.00 94.62 68 A 1 ATOM 559 C CG . PHE A 0 68 . 5.258 7.601 -28.499 1.00 94.62 68 A 1 ATOM 560 C CD1 . PHE A 0 68 . 5.249 7.682 -29.904 1.00 94.62 68 A 1 ATOM 561 C CD2 . PHE A 0 68 . 4.043 7.530 -27.792 1.00 94.62 68 A 1 ATOM 562 C CE1 . PHE A 0 68 . 4.026 7.700 -30.599 1.00 94.62 68 A 1 ATOM 563 C CE2 . PHE A 0 68 . 2.822 7.542 -28.487 1.00 94.62 68 A 1 ATOM 564 C CZ . PHE A 0 68 . 2.814 7.630 -29.890 1.00 94.62 68 A 1 ATOM 565 N N . PRO A 0 69 . 9.524 5.222 -27.268 1.00 92.97 69 A 1 ATOM 566 C CA . PRO A 0 69 . 10.809 5.168 -26.570 1.00 92.97 69 A 1 ATOM 567 C C . PRO A 0 69 . 11.695 6.385 -26.888 1.00 92.97 69 A 1 ATOM 568 C CB . PRO A 0 69 . 11.447 3.843 -27.002 1.00 92.97 69 A 1 ATOM 569 O O . PRO A 0 69 . 12.331 6.928 -25.987 1.00 92.97 69 A 1 ATOM 570 C CG . PRO A 0 69 . 10.803 3.543 -28.356 1.00 92.97 69 A 1 ATOM 571 C CD . PRO A 0 69 . 9.391 4.099 -28.189 1.00 92.97 69 A 1 ATOM 572 N N . ASP A 0 70 . 11.649 6.896 -28.123 1.00 93.53 70 A 1 ATOM 573 C CA . ASP A 0 70 . 12.446 8.052 -28.568 1.00 93.53 70 A 1 ATOM 574 C C . ASP A 0 70 . 12.137 9.338 -27.787 1.00 93.53 70 A 1 ATOM 575 C CB . ASP A 0 70 . 12.177 8.318 -30.058 1.00 93.53 70 A 1 ATOM 576 O O . ASP A 0 70 . 12.998 10.199 -27.609 1.00 93.53 70 A 1 ATOM 577 C CG . ASP A 0 70 . 12.437 7.105 -30.949 1.00 93.53 70 A 1 ATOM 578 O OD1 . ASP A 0 70 . 13.377 6.344 -30.636 1.00 93.53 70 A 1 ATOM 579 O OD2 . ASP A 0 70 . 11.637 6.929 -31.891 1.00 93.53 70 A 1 ATOM 580 N N . ARG A 0 71 . 10.899 9.484 -27.293 1.00 93.54 71 A 1 ATOM 581 C CA . ARG A 0 71 . 10.472 10.663 -26.519 1.00 93.54 71 A 1 ATOM 582 C C . ARG A 0 71 . 10.902 10.594 -25.057 1.00 93.54 71 A 1 ATOM 583 C CB . ARG A 0 71 . 8.951 10.834 -26.609 1.00 93.54 71 A 1 ATOM 584 O O . ARG A 0 71 . 10.854 11.609 -24.362 1.00 93.54 71 A 1 ATOM 585 C CG . ARG A 0 71 . 8.468 11.103 -28.038 1.00 93.54 71 A 1 ATOM 586 C CD . ARG A 0 71 . 6.958 11.356 -28.013 1.00 93.54 71 A 1 ATOM 587 N NE . ARG A 0 71 . 6.422 11.546 -29.369 1.00 93.54 71 A 1 ATOM 588 N NH1 . ARG A 0 71 . 4.212 11.744 -28.771 1.00 93.54 71 A 1 ATOM 589 N NH2 . ARG A 0 71 . 4.797 11.853 -30.925 1.00 93.54 71 A 1 ATOM 590 C CZ . ARG A 0 71 . 5.151 11.712 -29.679 1.00 93.54 71 A 1 ATOM 591 N N . VAL A 0 72 . 11.275 9.410 -24.572 1.00 90.42 72 A 1 ATOM 592 C CA . VAL A 0 72 . 11.638 9.161 -23.172 1.00 90.42 72 A 1 ATOM 593 C C . VAL A 0 72 . 13.000 8.457 -23.121 1.00 90.42 72 A 1 ATOM 594 C CB . VAL A 0 72 . 10.522 8.396 -22.423 1.00 90.42 72 A 1 ATOM 595 O O . VAL A 0 72 . 13.083 7.306 -22.687 1.00 90.42 72 A 1 ATOM 596 C CG1 . VAL A 0 72 . 10.766 8.425 -20.904 1.00 90.42 72 A 1 ATOM 597 C CG2 . VAL A 0 72 . 9.135 9.020 -22.656 1.00 90.42 72 A 1 ATOM 598 N N . PRO A 0 73 . 14.087 9.129 -23.547 1.00 88.84 73 A 1 ATOM 599 C CA . PRO A 0 73 . 15.416 8.540 -23.496 1.00 88.84 73 A 1 ATOM 600 C C . PRO A 0 73 . 15.834 8.283 -22.045 1.00 88.84 73 A 1 ATOM 601 C CB . PRO A 0 73 . 16.339 9.532 -24.210 1.00 88.84 73 A 1 ATOM 602 O O . PRO A 0 73 . 15.549 9.074 -21.136 1.00 88.84 73 A 1 ATOM 603 C CG . PRO A 0 73 . 15.647 10.875 -23.986 1.00 88.84 73 A 1 ATOM 604 C CD . PRO A 0 73 . 14.165 10.504 -24.028 1.00 88.84 73 A 1 ATOM 605 N N . VAL A 0 74 . 16.541 7.175 -21.827 1.00 88.40 74 A 1 ATOM 606 C CA . VAL A 0 74 . 17.132 6.857 -20.524 1.00 88.40 74 A 1 ATOM 607 C C . VAL A 0 74 . 18.174 7.926 -20.205 1.00 88.40 74 A 1 ATOM 608 C CB . VAL A 0 74 . 17.746 5.445 -20.502 1.00 88.40 74 A 1 ATOM 609 O O . VAL A 0 74 . 19.147 8.104 -20.935 1.00 88.40 74 A 1 ATOM 610 C CG1 . VAL A 0 74 . 18.326 5.118 -19.119 1.00 88.40 74 A 1 ATOM 611 C CG2 . VAL A 0 74 . 16.687 4.383 -20.830 1.00 88.40 74 A 1 ATOM 612 N N . LYS A 0 75 . 17.960 8.670 -19.118 1.00 89.56 75 A 1 ATOM 613 C CA . LYS A 0 75 . 18.915 9.684 -18.669 1.00 89.56 75 A 1 ATOM 614 C C . LYS A 0 75 . 20.144 8.990 -18.093 1.00 89.56 75 A 1 ATOM 615 C CB . LYS A 0 75 . 18.278 10.638 -17.650 1.00 89.56 75 A 1 ATOM 616 O O . LYS A 0 75 . 20.020 8.168 -17.189 1.00 89.56 75 A 1 ATOM 617 C CG . LYS A 0 75 . 17.160 11.476 -18.286 1.00 89.56 75 A 1 ATOM 618 C CD . LYS A 0 75 . 16.596 12.485 -17.280 1.00 89.56 75 A 1 ATOM 619 C CE . LYS A 0 75 . 15.485 13.293 -17.957 1.00 89.56 75 A 1 ATOM 620 N NZ . LYS A 0 75 . 14.941 14.337 -17.053 1.00 89.56 75 A 1 ATOM 621 N N . PHE A 0 76 . 21.319 9.354 -18.592 1.00 89.19 76 A 1 ATOM 622 C CA . PHE A 0 76 . 22.583 9.006 -17.960 1.00 89.19 76 A 1 ATOM 623 C C . PHE A 0 76 . 22.822 9.928 -16.757 1.00 89.19 76 A 1 ATOM 624 C CB . PHE A 0 76 . 23.706 9.087 -18.999 1.00 89.19 76 A 1 ATOM 625 O O . PHE A 0 76 . 22.635 11.143 -16.858 1.00 89.19 76 A 1 ATOM 626 C CG . PHE A 0 76 . 25.060 8.694 -18.450 1.00 89.19 76 A 1 ATOM 627 C CD1 . PHE A 0 76 . 26.026 9.680 -18.173 1.00 89.19 76 A 1 ATOM 628 C CD2 . PHE A 0 76 . 25.350 7.338 -18.201 1.00 89.19 76 A 1 ATOM 629 C CE1 . PHE A 0 76 . 27.277 9.309 -17.650 1.00 89.19 76 A 1 ATOM 630 C CE2 . PHE A 0 76 . 26.600 6.972 -17.672 1.00 89.19 76 A 1 ATOM 631 C CZ . PHE A 0 76 . 27.562 7.959 -17.395 1.00 89.19 76 A 1 ATOM 632 N N . TYR A 0 77 . 23.215 9.354 -15.620 1.00 90.78 77 A 1 ATOM 633 C CA . TYR A 0 77 . 23.540 10.090 -14.399 1.00 90.78 77 A 1 ATOM 634 C C . TYR A 0 77 . 25.059 10.033 -14.179 1.00 90.78 77 A 1 ATOM 635 C CB . TYR A 0 77 . 22.757 9.514 -13.208 1.00 90.78 77 A 1 ATOM 636 O O . TYR A 0 77 . 25.531 9.044 -13.620 1.00 90.78 77 A 1 ATOM 637 C CG . TYR A 0 77 . 21.250 9.654 -13.321 1.00 90.78 77 A 1 ATOM 638 C CD1 . TYR A 0 77 . 20.617 10.848 -12.924 1.00 90.78 77 A 1 ATOM 639 C CD2 . TYR A 0 77 . 20.481 8.586 -13.823 1.00 90.78 77 A 1 ATOM 640 C CE1 . TYR A 0 77 . 19.216 10.969 -13.014 1.00 90.78 77 A 1 ATOM 641 C CE2 . TYR A 0 77 . 19.083 8.707 -13.928 1.00 90.78 77 A 1 ATOM 642 O OH . TYR A 0 77 . 17.096 10.013 -13.596 1.00 90.78 77 A 1 ATOM 643 C CZ . TYR A 0 77 . 18.448 9.895 -13.517 1.00 90.78 77 A 1 ATOM 644 N N . PRO A 0 78 . 25.826 11.046 -14.628 1.00 90.88 78 A 1 ATOM 645 C CA . PRO A 0 78 . 27.270 11.075 -14.418 1.00 90.88 78 A 1 ATOM 646 C C . PRO A 0 78 . 27.614 11.156 -12.928 1.00 90.88 78 A 1 ATOM 647 C CB . PRO A 0 78 . 27.789 12.286 -15.200 1.00 90.88 78 A 1 ATOM 648 O O . PRO A 0 78 . 26.872 11.741 -12.129 1.00 90.88 78 A 1 ATOM 649 C CG . PRO A 0 78 . 26.574 13.199 -15.322 1.00 90.88 78 A 1 ATOM 650 C CD . PRO A 0 78 . 25.393 12.236 -15.350 1.00 90.88 78 A 1 ATOM 651 N N . THR A 0 79 . 28.759 10.592 -12.550 1.00 93.24 79 A 1 ATOM 652 C CA . THR A 0 79 . 29.259 10.696 -11.170 1.00 93.24 79 A 1 ATOM 653 C C . THR A 0 79 . 29.687 12.139 -10.894 1.00 93.24 79 A 1 ATOM 654 C CB . THR A 0 79 . 30.412 9.712 -10.913 1.00 93.24 79 A 1 ATOM 655 O O . THR A 0 79 . 30.154 12.827 -11.796 1.00 93.24 79 A 1 ATOM 656 C CG2 . THR A 0 79 . 30.865 9.691 -9.450 1.00 93.24 79 A 1 ATOM 657 O OG1 . THR A 0 79 . 29.982 8.404 -11.189 1.00 93.24 79 A 1 ATOM 658 N N . PHE A 0 80 . 29.598 12.624 -9.648 1.00 91.72 80 A 1 ATOM 659 C CA . PHE A 0 80 . 30.001 14.001 -9.311 1.00 91.72 80 A 1 ATOM 660 C C . PHE A 0 80 . 31.441 14.360 -9.725 1.00 91.72 80 A 1 ATOM 661 C CB . PHE A 0 80 . 29.799 14.263 -7.811 1.00 91.72 80 A 1 ATOM 662 O O . PHE A 0 80 . 31.698 15.529 -9.985 1.00 91.72 80 A 1 ATOM 663 C CG . PHE A 0 80 . 28.368 14.580 -7.424 1.00 91.72 80 A 1 ATOM 664 C CD1 . PHE A 0 80 . 27.830 15.846 -7.726 1.00 91.72 80 A 1 ATOM 665 C CD2 . PHE A 0 80 . 27.580 13.630 -6.748 1.00 91.72 80 A 1 ATOM 666 C CE1 . PHE A 0 80 . 26.511 16.161 -7.351 1.00 91.72 80 A 1 ATOM 667 C CE2 . PHE A 0 80 . 26.260 13.944 -6.378 1.00 91.72 80 A 1 ATOM 668 C CZ . PHE A 0 80 . 25.725 15.209 -6.678 1.00 91.72 80 A 1 ATOM 669 N N . GLY A 0 81 . 32.352 13.384 -9.842 1.00 91.09 81 A 1 ATOM 670 C CA . GLY A 0 81 . 33.710 13.603 -10.357 1.00 91.09 81 A 1 ATOM 671 C C . GLY A 0 81 . 33.782 13.963 -11.849 1.00 91.09 81 A 1 ATOM 672 O O . GLY A 0 81 . 34.731 14.614 -12.266 1.00 91.09 81 A 1 ATOM 673 N N . GLU A 0 82 . 32.775 13.591 -12.644 1.00 91.92 82 A 1 ATOM 674 C CA . GLU A 0 82 . 32.668 13.921 -14.076 1.00 91.92 82 A 1 ATOM 675 C C . GLU A 0 82 . 31.984 15.281 -14.301 1.00 91.92 82 A 1 ATOM 676 C CB . GLU A 0 82 . 31.851 12.824 -14.782 1.00 91.92 82 A 1 ATOM 677 O O . GLU A 0 82 . 32.086 15.878 -15.373 1.00 91.92 82 A 1 ATOM 678 C CG . GLU A 0 82 . 32.491 11.425 -14.727 1.00 91.92 82 A 1 ATOM 679 C CD . GLU A 0 82 . 31.534 10.297 -15.151 1.00 91.92 82 A 1 ATOM 680 O OE1 . GLU A 0 82 . 31.972 9.129 -15.098 1.00 91.92 82 A 1 ATOM 681 O OE2 . GLU A 0 82 . 30.339 10.571 -15.413 1.00 91.92 82 A 1 ATOM 682 N N . ILE A 0 83 . 31.265 15.785 -13.291 1.00 89.98 83 A 1 ATOM 683 C CA . ILE A 0 83 . 30.470 17.010 -13.385 1.00 89.98 83 A 1 ATOM 684 C C . ILE A 0 83 . 31.285 18.200 -12.866 1.00 89.98 83 A 1 ATOM 685 C CB . ILE A 0 83 . 29.123 16.875 -12.636 1.00 89.98 83 A 1 ATOM 686 O O . ILE A 0 83 . 31.326 18.468 -11.665 1.00 89.98 83 A 1 ATOM 687 C CG1 . ILE A 0 83 . 28.329 15.604 -13.011 1.00 89.98 83 A 1 ATOM 688 C CG2 . ILE A 0 83 . 28.256 18.113 -12.942 1.00 89.98 83 A 1 ATOM 689 C CD1 . ILE A 0 83 . 27.119 15.369 -12.095 1.00 89.98 83 A 1 ATOM 690 N N . ILE A 0 84 . 31.846 19.000 -13.772 1.00 89.12 84 A 1 ATOM 691 C CA . ILE A 0 84 . 32.502 20.266 -13.411 1.00 89.12 84 A 1 ATOM 692 C C . ILE A 0 84 . 31.438 21.367 -13.307 1.00 89.12 84 A 1 ATOM 693 C CB . ILE A 0 84 . 33.652 20.614 -14.384 1.00 89.12 84 A 1 ATOM 694 O O . ILE A 0 84 . 31.071 22.005 -14.295 1.00 89.12 84 A 1 ATOM 695 C CG1 . ILE A 0 84 . 34.655 19.439 -14.493 1.00 89.12 84 A 1 ATOM 696 C CG2 . ILE A 0 84 . 34.367 21.889 -13.890 1.00 89.12 84 A 1 ATOM 697 C CD1 . ILE A 0 84 . 35.758 19.649 -15.536 1.00 89.12 84 A 1 ATOM 698 N N . LYS A 0 85 . 30.903 21.588 -12.101 1.00 89.97 85 A 1 ATOM 699 C CA . LYS A 0 85 . 30.036 22.746 -11.823 1.00 89.97 85 A 1 ATOM 700 C C . LYS A 0 85 . 30.886 23.985 -11.519 1.00 89.97 85 A 1 ATOM 701 C CB . LYS A 0 85 . 29.050 22.467 -10.680 1.00 89.97 85 A 1 ATOM 702 O O . LYS A 0 85 . 31.905 23.858 -10.842 1.00 89.97 85 A 1 ATOM 703 C CG . LYS A 0 85 . 28.030 21.392 -11.066 1.00 89.97 85 A 1 ATOM 704 C CD . LYS A 0 85 . 26.912 21.276 -10.025 1.00 89.97 85 A 1 ATOM 705 C CE . LYS A 0 85 . 25.932 20.181 -10.459 1.00 89.97 85 A 1 ATOM 706 N NZ . LYS A 0 85 . 24.860 19.981 -9.454 1.00 89.97 85 A 1 ATOM 707 N N . PRO A 0 86 . 30.461 25.191 -11.937 1.00 91.46 86 A 1 ATOM 708 C CA . PRO A 0 86 . 31.143 26.415 -11.540 1.00 91.46 86 A 1 ATOM 709 C C . PRO A 0 86 . 31.042 26.594 -10.022 1.00 91.46 86 A 1 ATOM 710 C CB . PRO A 0 86 . 30.455 27.541 -12.317 1.00 91.46 86 A 1 ATOM 711 O O . PRO A 0 86 . 29.945 26.600 -9.456 1.00 91.46 86 A 1 ATOM 712 C CG . PRO A 0 86 . 29.045 26.999 -12.558 1.00 91.46 86 A 1 ATOM 713 C CD . PRO A 0 86 . 29.270 25.496 -12.717 1.00 91.46 86 A 1 ATOM 714 N N . TRP A 0 87 . 32.187 26.747 -9.361 1.00 92.07 87 A 1 ATOM 715 C CA . TRP A 0 87 . 32.237 27.081 -7.943 1.00 92.07 87 A 1 ATOM 716 C C . TRP A 0 87 . 31.817 28.541 -7.744 1.00 92.07 87 A 1 ATOM 717 C CB . TRP A 0 87 . 33.639 26.802 -7.397 1.00 92.07 87 A 1 ATOM 718 O O . TRP A 0 87 . 32.361 29.442 -8.381 1.00 92.07 87 A 1 ATOM 719 C CG . TRP A 0 87 . 33.830 27.143 -5.952 1.00 92.07 87 A 1 ATOM 720 C CD1 . TRP A 0 87 . 33.225 26.532 -4.908 1.00 92.07 87 A 1 ATOM 721 C CD2 . TRP A 0 87 . 34.706 28.157 -5.370 1.00 92.07 87 A 1 ATOM 722 C CE2 . TRP A 0 87 . 34.587 28.092 -3.949 1.00 92.07 87 A 1 ATOM 723 C CE3 . TRP A 0 87 . 35.607 29.108 -5.897 1.00 92.07 87 A 1 ATOM 724 N NE1 . TRP A 0 87 . 33.654 27.103 -3.725 1.00 92.07 87 A 1 ATOM 725 C CH2 . TRP A 0 87 . 36.253 29.817 -3.649 1.00 92.07 87 A 1 ATOM 726 C CZ2 . TRP A 0 87 . 35.339 28.906 -3.093 1.00 92.07 87 A 1 ATOM 727 C CZ3 . TRP A 0 87 . 36.373 29.927 -5.046 1.00 92.07 87 A 1 ATOM 728 N N . LYS A 0 88 . 30.835 28.782 -6.870 1.00 91.49 88 A 1 ATOM 729 C CA . LYS A 0 88 . 30.449 30.129 -6.438 1.00 91.49 88 A 1 ATOM 730 C C . LYS A 0 88 . 30.935 30.335 -5.002 1.00 91.49 88 A 1 ATOM 731 C CB . LYS A 0 88 . 28.933 30.344 -6.556 1.00 91.49 88 A 1 ATOM 732 O O . LYS A 0 88 . 30.367 29.701 -4.111 1.00 91.49 88 A 1 ATOM 733 C CG . LYS A 0 88 . 28.478 30.464 -8.018 1.00 91.49 88 A 1 ATOM 734 C CD . LYS A 0 88 . 27.004 30.887 -8.084 1.00 91.49 88 A 1 ATOM 735 C CE . LYS A 0 88 . 26.573 31.070 -9.543 1.00 91.49 88 A 1 ATOM 736 N NZ . LYS A 0 88 . 25.182 31.582 -9.638 1.00 91.49 88 A 1 ATOM 737 N N . PRO A 0 89 . 31.955 31.176 -4.759 1.00 89.97 89 A 1 ATOM 738 C CA . PRO A 0 89 . 32.381 31.478 -3.400 1.00 89.97 89 A 1 ATOM 739 C C . PRO A 0 89 . 31.260 32.197 -2.648 1.00 89.97 89 A 1 ATOM 740 C CB . PRO A 0 89 . 33.630 32.353 -3.534 1.00 89.97 89 A 1 ATOM 741 O O . PRO A 0 89 . 30.650 33.132 -3.170 1.00 89.97 89 A 1 ATOM 742 C CG . PRO A 0 89 . 33.481 32.999 -4.909 1.00 89.97 89 A 1 ATOM 743 C CD . PRO A 0 89 . 32.731 31.947 -5.722 1.00 89.97 89 A 1 ATOM 744 N N . LEU A 0 90 . 31.012 31.768 -1.414 1.00 87.52 90 A 1 ATOM 745 C CA . LEU A 0 90 . 30.222 32.521 -0.446 1.00 87.52 90 A 1 ATOM 746 C C . LEU A 0 90 . 31.207 33.380 0.352 1.00 87.52 90 A 1 ATOM 747 C CB . LEU A 0 90 . 29.414 31.548 0.433 1.00 87.52 90 A 1 ATOM 748 O O . LEU A 0 90 . 32.173 32.841 0.892 1.00 87.52 90 A 1 ATOM 749 C CG . LEU A 0 90 . 28.354 30.734 -0.336 1.00 87.52 90 A 1 ATOM 750 C CD1 . LEU A 0 90 . 27.762 29.654 0.569 1.00 87.52 90 A 1 ATOM 751 C CD2 . LEU A 0 90 . 27.207 31.613 -0.843 1.00 87.52 90 A 1 ATOM 752 N N . ARG A 0 91 . 31.003 34.700 0.339 1.00 81.19 91 A 1 ATOM 753 C CA . ARG A 0 91 . 31.709 35.625 1.235 1.00 81.19 91 A 1 ATOM 754 C C . ARG A 0 91 . 31.053 35.623 2.603 1.00 81.19 91 A 1 ATOM 755 C CB . ARG A 0 91 . 31.735 37.057 0.686 1.00 81.19 91 A 1 ATOM 756 O O . ARG A 0 91 . 29.809 35.495 2.632 1.00 81.19 91 A 1 ATOM 757 C CG . ARG A 0 91 . 32.792 37.258 -0.401 1.00 81.19 91 A 1 ATOM 758 C CD . ARG A 0 91 . 32.825 38.742 -0.780 1.00 81.19 91 A 1 ATOM 759 N NE . ARG A 0 91 . 33.757 39.008 -1.890 1.00 81.19 91 A 1 ATOM 760 N NH1 . ARG A 0 91 . 32.911 41.054 -2.483 1.00 81.19 91 A 1 ATOM 761 N NH2 . ARG A 0 91 . 34.625 40.197 -3.621 1.00 81.19 91 A 1 ATOM 762 C CZ . ARG A 0 91 . 33.759 40.080 -2.656 1.00 81.19 91 A 1 ATOM 763 O OXT . ARG A 0 91 . 31.833 35.815 3.552 1.00 81.19 91 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 93.21 # loop_ _atom_type.symbol C N O S #