data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 SER 0 3 PHE 0 4 ALA 0 5 GLU 0 6 ILE 0 7 CYS 0 8 ASN 0 9 ASN 0 10 THR 0 11 GLN 0 12 LEU 0 13 PRO 0 14 LYS 0 15 ALA 0 16 LEU 0 17 LEU 0 18 TRP 0 19 ASP 0 20 VAL 0 21 ASN 0 22 GLN 0 23 VAL 0 24 ALA 0 25 SER 0 26 TRP 0 27 ILE 0 28 GLU 0 29 ASP 0 30 ILE 0 31 GLY 0 32 TYR 0 33 SER 0 34 GLN 0 35 TYR 0 36 LYS 0 37 GLU 0 38 CYS 0 39 PHE 0 40 THR 0 41 GLU 0 42 ASN 0 43 GLN 0 44 ILE 0 45 ASP 0 46 GLY 0 47 ARG 0 48 SER 0 49 LEU 0 50 ILE 0 51 ASN 0 52 ILE 0 53 HIS 0 54 SER 0 55 SER 0 56 THR 0 57 LEU 0 58 PRO 0 59 TYR 0 60 LEU 0 61 GLY 0 62 VAL 0 63 THR 0 64 GLU 0 65 PHE 0 66 GLU 0 67 ASP 0 68 ILE 0 69 LYS 0 70 SER 0 71 ILE 0 72 THR 0 73 CYS 0 74 LYS 0 75 VAL 0 76 ARG 0 77 GLU 0 78 VAL 0 79 LEU 0 80 ASN 0 81 LEU 0 82 GLU 0 83 GLU 0 84 ASN 0 85 GLU 0 86 SER 0 87 SER 0 88 ARG 0 89 ARG 0 90 LEU 0 91 HIS 0 92 MET 0 93 PRO 0 94 PRO 0 95 ARG 0 96 ASN 0 97 ILE 0 98 VAL 0 99 GLY 0 100 MET 0 101 PHE 0 102 LEU 0 103 GLU 0 104 ALA 0 105 LYS 0 106 SER 0 107 TYR 0 108 THR 0 109 GLY 0 110 SER 0 111 LYS 0 112 LEU 0 113 SER 0 114 ARG 0 115 LEU 0 116 THR 0 117 PHE 0 118 PRO 0 119 ARG 0 120 PHE 0 121 VAL 0 122 TYR 0 123 ASN 0 124 THR 0 125 ARG 0 126 SER 0 127 ALA 0 128 ILE 0 129 TRP 0 130 GLN 0 131 PRO 0 132 SER 0 133 LEU 0 134 THR 0 135 ASN 0 136 MET 0 137 GLY 0 138 ILE 0 139 ILE 0 140 PHE 0 141 LYS 0 142 HIS 0 143 LYS 0 144 HIS # 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 . 15.700 -13.935 -9.145 1.00 67.22 1 A 1 ATOM 2 C CA . MET A 0 1 . 15.446 -13.368 -7.811 1.00 67.22 1 A 1 ATOM 3 C C . MET A 0 1 . 13.952 -13.223 -7.601 1.00 67.22 1 A 1 ATOM 4 C CB . MET A 0 1 . 16.125 -12.014 -7.573 1.00 67.22 1 A 1 ATOM 5 O O . MET A 0 1 . 13.290 -12.678 -8.484 1.00 67.22 1 A 1 ATOM 6 C CG . MET A 0 1 . 17.590 -12.151 -7.159 1.00 67.22 1 A 1 ATOM 7 S SD . MET A 0 1 . 18.307 -10.552 -6.690 1.00 67.22 1 A 1 ATOM 8 C CE . MET A 0 1 . 19.639 -10.401 -7.907 1.00 67.22 1 A 1 ATOM 9 N N . SER A 0 2 . 13.431 -13.716 -6.482 1.00 82.42 2 A 1 ATOM 10 C CA . SER A 0 2 . 12.032 -13.544 -6.071 1.00 82.42 2 A 1 ATOM 11 C C . SER A 0 2 . 11.759 -12.104 -5.604 1.00 82.42 2 A 1 ATOM 12 C CB . SER A 0 2 . 11.681 -14.567 -4.981 1.00 82.42 2 A 1 ATOM 13 O O . SER A 0 2 . 12.687 -11.348 -5.318 1.00 82.42 2 A 1 ATOM 14 O OG . SER A 0 2 . 12.281 -14.206 -3.757 1.00 82.42 2 A 1 ATOM 15 N N . PHE A 0 3 . 10.488 -11.691 -5.530 1.00 78.85 3 A 1 ATOM 16 C CA . PHE A 0 3 . 10.139 -10.360 -5.006 1.00 78.85 3 A 1 ATOM 17 C C . PHE A 0 3 . 10.609 -10.178 -3.554 1.00 78.85 3 A 1 ATOM 18 C CB . PHE A 0 3 . 8.631 -10.120 -5.153 1.00 78.85 3 A 1 ATOM 19 O O . PHE A 0 3 . 11.171 -9.137 -3.231 1.00 78.85 3 A 1 ATOM 20 C CG . PHE A 0 3 . 8.177 -8.741 -4.707 1.00 78.85 3 A 1 ATOM 21 C CD1 . PHE A 0 3 . 7.520 -8.580 -3.472 1.00 78.85 3 A 1 ATOM 22 C CD2 . PHE A 0 3 . 8.416 -7.615 -5.521 1.00 78.85 3 A 1 ATOM 23 C CE1 . PHE A 0 3 . 7.087 -7.308 -3.063 1.00 78.85 3 A 1 ATOM 24 C CE2 . PHE A 0 3 . 7.986 -6.339 -5.108 1.00 78.85 3 A 1 ATOM 25 C CZ . PHE A 0 3 . 7.316 -6.190 -3.881 1.00 78.85 3 A 1 ATOM 26 N N . ALA A 0 4 . 10.487 -11.223 -2.730 1.00 84.10 4 A 1 ATOM 27 C CA . ALA A 0 4 . 10.986 -11.232 -1.357 1.00 84.10 4 A 1 ATOM 28 C C . ALA A 0 4 . 12.510 -11.048 -1.281 1.00 84.10 4 A 1 ATOM 29 C CB . ALA A 0 4 . 10.534 -12.537 -0.693 1.00 84.10 4 A 1 ATOM 30 O O . ALA A 0 4 . 12.989 -10.222 -0.509 1.00 84.10 4 A 1 ATOM 31 N N . GLU A 0 5 . 13.280 -11.740 -2.129 1.00 83.65 5 A 1 ATOM 32 C CA . GLU A 0 5 . 14.735 -11.542 -2.211 1.00 83.65 5 A 1 ATOM 33 C C . GLU A 0 5 . 15.092 -10.109 -2.609 1.00 83.65 5 A 1 ATOM 34 C CB . GLU A 0 5 . 15.341 -12.485 -3.252 1.00 83.65 5 A 1 ATOM 35 O O . GLU A 0 5 . 16.028 -9.534 -2.063 1.00 83.65 5 A 1 ATOM 36 C CG . GLU A 0 5 . 15.423 -13.944 -2.784 1.00 83.65 5 A 1 ATOM 37 C CD . GLU A 0 5 . 15.719 -14.902 -3.946 1.00 83.65 5 A 1 ATOM 38 O OE1 . GLU A 0 5 . 15.804 -16.117 -3.700 1.00 83.65 5 A 1 ATOM 39 O OE2 . GLU A 0 5 . 15.764 -14.444 -5.115 1.00 83.65 5 A 1 ATOM 40 N N . ILE A 0 6 . 14.339 -9.505 -3.535 1.00 81.03 6 A 1 ATOM 41 C CA . ILE A 0 6 . 14.556 -8.109 -3.927 1.00 81.03 6 A 1 ATOM 42 C C . ILE A 0 6 . 14.288 -7.188 -2.734 1.00 81.03 6 A 1 ATOM 43 C CB . ILE A 0 6 . 13.710 -7.731 -5.162 1.00 81.03 6 A 1 ATOM 44 O O . ILE A 0 6 . 15.133 -6.349 -2.442 1.00 81.03 6 A 1 ATOM 45 C CG1 . ILE A 0 6 . 14.123 -8.572 -6.390 1.00 81.03 6 A 1 ATOM 46 C CG2 . ILE A 0 6 . 13.863 -6.239 -5.516 1.00 81.03 6 A 1 ATOM 47 C CD1 . ILE A 0 6 . 13.050 -8.584 -7.482 1.00 81.03 6 A 1 ATOM 48 N N . CYS A 0 7 . 13.166 -7.348 -2.028 1.00 80.90 7 A 1 ATOM 49 C CA . CYS A 0 7 . 12.843 -6.547 -0.843 1.00 80.90 7 A 1 ATOM 50 C C . CYS A 0 7 . 13.880 -6.695 0.280 1.00 80.90 7 A 1 ATOM 51 C CB . CYS A 0 7 . 11.444 -6.934 -0.348 1.00 80.90 7 A 1 ATOM 52 O O . CYS A 0 7 . 14.164 -5.720 0.961 1.00 80.90 7 A 1 ATOM 53 S SG . CYS A 0 7 . 10.182 -6.295 -1.485 1.00 80.90 7 A 1 ATOM 54 N N . ASN A 0 8 . 14.477 -7.877 0.450 1.00 83.72 8 A 1 ATOM 55 C CA . ASN A 0 8 . 15.492 -8.113 1.480 1.00 83.72 8 A 1 ATOM 56 C C . ASN A 0 8 . 16.885 -7.589 1.094 1.00 83.72 8 A 1 ATOM 57 C CB . ASN A 0 8 . 15.523 -9.618 1.794 1.00 83.72 8 A 1 ATOM 58 O O . ASN A 0 8 . 17.620 -7.115 1.956 1.00 83.72 8 A 1 ATOM 59 C CG . ASN A 0 8 . 14.287 -10.087 2.543 1.00 83.72 8 A 1 ATOM 60 N ND2 . ASN A 0 8 . 13.986 -11.363 2.493 1.00 83.72 8 A 1 ATOM 61 O OD1 . ASN A 0 8 . 13.600 -9.335 3.212 1.00 83.72 8 A 1 ATOM 62 N N . ASN A 0 9 . 17.245 -7.661 -0.191 1.00 79.09 9 A 1 ATOM 63 C CA . ASN A 0 9 . 18.570 -7.278 -0.692 1.00 79.09 9 A 1 ATOM 64 C C . ASN A 0 9 . 18.662 -5.808 -1.132 1.00 79.09 9 A 1 ATOM 65 C CB . ASN A 0 9 . 18.950 -8.217 -1.852 1.00 79.09 9 A 1 ATOM 66 O O . ASN A 0 9 . 19.736 -5.339 -1.504 1.00 79.09 9 A 1 ATOM 67 C CG . ASN A 0 9 . 19.161 -9.658 -1.424 1.00 79.09 9 A 1 ATOM 68 N ND2 . ASN A 0 9 . 19.096 -10.587 -2.349 1.00 79.09 9 A 1 ATOM 69 O OD1 . ASN A 0 9 . 19.420 -9.978 -0.280 1.00 79.09 9 A 1 ATOM 70 N N . THR A 0 10 . 17.545 -5.084 -1.153 1.00 76.65 10 A 1 ATOM 71 C CA . THR A 0 10 . 17.481 -3.664 -1.523 1.00 76.65 10 A 1 ATOM 72 C C . THR A 0 10 . 16.814 -2.865 -0.404 1.00 76.65 10 A 1 ATOM 73 C CB . THR A 0 10 . 16.773 -3.453 -2.876 1.00 76.65 10 A 1 ATOM 74 O O . THR A 0 10 . 16.115 -3.432 0.424 1.00 76.65 10 A 1 ATOM 75 C CG2 . THR A 0 10 . 17.383 -4.274 -4.016 1.00 76.65 10 A 1 ATOM 76 O OG1 . THR A 0 10 . 15.411 -3.780 -2.828 1.00 76.65 10 A 1 ATOM 77 N N . GLN A 0 11 . 16.985 -1.540 -0.374 1.00 76.46 11 A 1 ATOM 78 C CA . GLN A 0 11 . 16.313 -0.640 0.586 1.00 76.46 11 A 1 ATOM 79 C C . GLN A 0 11 . 14.826 -0.398 0.265 1.00 76.46 11 A 1 ATOM 80 C CB . GLN A 0 11 . 17.133 0.659 0.710 1.00 76.46 11 A 1 ATOM 81 O O . GLN A 0 11 . 14.277 0.670 0.538 1.00 76.46 11 A 1 ATOM 82 C CG . GLN A 0 11 . 18.180 0.521 1.825 1.00 76.46 11 A 1 ATOM 83 C CD . GLN A 0 11 . 19.426 1.367 1.606 1.00 76.46 11 A 1 ATOM 84 N NE2 . GLN A 0 11 . 20.145 1.703 2.653 1.00 76.46 11 A 1 ATOM 85 O OE1 . GLN A 0 11 . 19.812 1.689 0.495 1.00 76.46 11 A 1 ATOM 86 N N . LEU A 0 12 . 14.160 -1.385 -0.336 1.00 86.87 12 A 1 ATOM 87 C CA . LEU A 0 12 . 12.716 -1.334 -0.495 1.00 86.87 12 A 1 ATOM 88 C C . LEU A 0 12 . 12.022 -1.557 0.855 1.00 86.87 12 A 1 ATOM 89 C CB . LEU A 0 12 . 12.247 -2.362 -1.525 1.00 86.87 12 A 1 ATOM 90 O O . LEU A 0 12 . 12.568 -2.219 1.740 1.00 86.87 12 A 1 ATOM 91 C CG . LEU A 0 12 . 12.569 -1.996 -2.979 1.00 86.87 12 A 1 ATOM 92 C CD1 . LEU A 0 12 . 12.070 -3.152 -3.835 1.00 86.87 12 A 1 ATOM 93 C CD2 . LEU A 0 12 . 11.882 -0.712 -3.451 1.00 86.87 12 A 1 ATOM 94 N N . PRO A 0 13 . 10.800 -1.038 1.020 1.00 89.84 13 A 1 ATOM 95 C CA . PRO A 0 13 . 10.067 -1.190 2.265 1.00 89.84 13 A 1 ATOM 96 C C . PRO A 0 13 . 9.753 -2.655 2.552 1.00 89.84 13 A 1 ATOM 97 C CB . PRO A 0 13 . 8.791 -0.372 2.108 1.00 89.84 13 A 1 ATOM 98 O O . PRO A 0 13 . 9.118 -3.336 1.743 1.00 89.84 13 A 1 ATOM 99 C CG . PRO A 0 13 . 9.084 0.552 0.937 1.00 89.84 13 A 1 ATOM 100 C CD . PRO A 0 13 . 10.060 -0.219 0.079 1.00 89.84 13 A 1 ATOM 101 N N . LYS A 0 14 . 10.145 -3.131 3.738 1.00 89.96 14 A 1 ATOM 102 C CA . LYS A 0 14 . 9.809 -4.486 4.206 1.00 89.96 14 A 1 ATOM 103 C C . LYS A 0 14 . 8.303 -4.690 4.364 1.00 89.96 14 A 1 ATOM 104 C CB . LYS A 0 14 . 10.521 -4.792 5.528 1.00 89.96 14 A 1 ATOM 105 O O . LYS A 0 14 . 7.835 -5.816 4.248 1.00 89.96 14 A 1 ATOM 106 C CG . LYS A 0 14 . 12.043 -4.881 5.354 1.00 89.96 14 A 1 ATOM 107 C CD . LYS A 0 14 . 12.694 -5.305 6.673 1.00 89.96 14 A 1 ATOM 108 C CE . LYS A 0 14 . 14.211 -5.404 6.499 1.00 89.96 14 A 1 ATOM 109 N NZ . LYS A 0 14 . 14.869 -5.818 7.764 1.00 89.96 14 A 1 ATOM 110 N N . ALA A 0 15 . 7.558 -3.601 4.546 1.00 92.68 15 A 1 ATOM 111 C CA . ALA A 0 15 . 6.106 -3.617 4.641 1.00 92.68 15 A 1 ATOM 112 C C . ALA A 0 15 . 5.403 -4.197 3.414 1.00 92.68 15 A 1 ATOM 113 C CB . ALA A 0 15 . 5.649 -2.194 4.916 1.00 92.68 15 A 1 ATOM 114 O O . ALA A 0 15 . 4.295 -4.693 3.527 1.00 92.68 15 A 1 ATOM 115 N N . LEU A 0 16 . 6.064 -4.233 2.254 1.00 91.43 16 A 1 ATOM 116 C CA . LEU A 0 16 . 5.526 -4.873 1.049 1.00 91.43 16 A 1 ATOM 117 C C . LEU A 0 16 . 5.372 -6.393 1.167 1.00 91.43 16 A 1 ATOM 118 C CB . LEU A 0 16 . 6.460 -4.559 -0.122 1.00 91.43 16 A 1 ATOM 119 O O . LEU A 0 16 . 4.748 -7.003 0.302 1.00 91.43 16 A 1 ATOM 120 C CG . LEU A 0 16 . 6.547 -3.065 -0.440 1.00 91.43 16 A 1 ATOM 121 C CD1 . LEU A 0 16 . 7.599 -2.854 -1.521 1.00 91.43 16 A 1 ATOM 122 C CD2 . LEU A 0 16 . 5.206 -2.516 -0.921 1.00 91.43 16 A 1 ATOM 123 N N . LEU A 0 17 . 5.990 -7.003 2.180 1.00 92.46 17 A 1 ATOM 124 C CA . LEU A 0 17 . 5.893 -8.431 2.474 1.00 92.46 17 A 1 ATOM 125 C C . LEU A 0 17 . 4.853 -8.735 3.554 1.00 92.46 17 A 1 ATOM 126 C CB . LEU A 0 17 . 7.280 -8.966 2.879 1.00 92.46 17 A 1 ATOM 127 O O . LEU A 0 17 . 4.706 -9.900 3.911 1.00 92.46 17 A 1 ATOM 128 C CG . LEU A 0 17 . 8.387 -8.754 1.835 1.00 92.46 17 A 1 ATOM 129 C CD1 . LEU A 0 17 . 9.721 -9.256 2.391 1.00 92.46 17 A 1 ATOM 130 C CD2 . LEU A 0 17 . 8.100 -9.491 0.524 1.00 92.46 17 A 1 ATOM 131 N N . TRP A 0 18 . 4.176 -7.714 4.088 1.00 95.23 18 A 1 ATOM 132 C CA . TRP A 0 18 . 3.178 -7.915 5.126 1.00 95.23 18 A 1 ATOM 133 C C . TRP A 0 18 . 1.953 -8.640 4.587 1.00 95.23 18 A 1 ATOM 134 C CB . TRP A 0 18 . 2.806 -6.592 5.800 1.00 95.23 18 A 1 ATOM 135 O O . TRP A 0 18 . 1.434 -8.294 3.522 1.00 95.23 18 A 1 ATOM 136 C CG . TRP A 0 18 . 3.884 -5.935 6.609 1.00 95.23 18 A 1 ATOM 137 C CD1 . TRP A 0 18 . 5.041 -6.502 7.024 1.00 95.23 18 A 1 ATOM 138 C CD2 . TRP A 0 18 . 3.881 -4.588 7.169 1.00 95.23 18 A 1 ATOM 139 C CE2 . TRP A 0 18 . 5.088 -4.401 7.908 1.00 95.23 18 A 1 ATOM 140 C CE3 . TRP A 0 18 . 2.978 -3.507 7.130 1.00 95.23 18 A 1 ATOM 141 N NE1 . TRP A 0 18 . 5.755 -5.601 7.788 1.00 95.23 18 A 1 ATOM 142 C CH2 . TRP A 0 18 . 4.462 -2.145 8.511 1.00 95.23 18 A 1 ATOM 143 C CZ2 . TRP A 0 18 . 5.390 -3.200 8.564 1.00 95.23 18 A 1 ATOM 144 C CZ3 . TRP A 0 18 . 3.261 -2.303 7.798 1.00 95.23 18 A 1 ATOM 145 N N . ASP A 0 19 . 1.486 -9.627 5.344 1.00 96.28 19 A 1 ATOM 146 C CA . ASP A 0 19 . 0.161 -10.196 5.142 1.00 96.28 19 A 1 ATOM 147 C C . ASP A 0 19 . -0.935 -9.264 5.695 1.00 96.28 19 A 1 ATOM 148 C CB . ASP A 0 19 . 0.107 -11.643 5.677 1.00 96.28 19 A 1 ATOM 149 O O . ASP A 0 19 . -0.662 -8.225 6.304 1.00 96.28 19 A 1 ATOM 150 C CG . ASP A 0 19 . 0.134 -11.800 7.202 1.00 96.28 19 A 1 ATOM 151 O OD1 . ASP A 0 19 . -0.279 -10.859 7.907 1.00 96.28 19 A 1 ATOM 152 O OD2 . ASP A 0 19 . 0.482 -12.903 7.670 1.00 96.28 19 A 1 ATOM 153 N N . VAL A 0 20 . -2.195 -9.633 5.464 1.00 97.31 20 A 1 ATOM 154 C CA . VAL A 0 20 . -3.356 -8.843 5.900 1.00 97.31 20 A 1 ATOM 155 C C . VAL A 0 20 . -3.384 -8.666 7.425 1.00 97.31 20 A 1 ATOM 156 C CB . VAL A 0 20 . -4.660 -9.497 5.397 1.00 97.31 20 A 1 ATOM 157 O O . VAL A 0 20 . -3.706 -7.586 7.913 1.00 97.31 20 A 1 ATOM 158 C CG1 . VAL A 0 20 . -5.904 -8.697 5.797 1.00 97.31 20 A 1 ATOM 159 C CG2 . VAL A 0 20 . -4.664 -9.626 3.866 1.00 97.31 20 A 1 ATOM 160 N N . ASN A 0 21 . -2.984 -9.684 8.195 1.00 96.76 21 A 1 ATOM 161 C CA . ASN A 0 21 . -2.985 -9.620 9.659 1.00 96.76 21 A 1 ATOM 162 C C . ASN A 0 21 . -1.894 -8.683 10.183 1.00 96.76 21 A 1 ATOM 163 C CB . ASN A 0 21 . -2.782 -11.025 10.241 1.00 96.76 21 A 1 ATOM 164 O O . ASN A 0 21 . -2.114 -7.951 11.144 1.00 96.76 21 A 1 ATOM 165 C CG . ASN A 0 21 . -3.901 -11.979 9.890 1.00 96.76 21 A 1 ATOM 166 N ND2 . ASN A 0 21 . -3.570 -13.177 9.468 1.00 96.76 21 A 1 ATOM 167 O OD1 . ASN A 0 21 . -5.075 -11.678 9.995 1.00 96.76 21 A 1 ATOM 168 N N . GLN A 0 22 . -0.723 -8.687 9.550 1.00 97.17 22 A 1 ATOM 169 C CA . GLN A 0 22 . 0.378 -7.788 9.867 1.00 97.17 22 A 1 ATOM 170 C C . GLN A 0 22 . 0.006 -6.338 9.563 1.00 97.17 22 A 1 ATOM 171 C CB . GLN A 0 22 . 1.624 -8.207 9.079 1.00 97.17 22 A 1 ATOM 172 O O . GLN A 0 22 . 0.294 -5.465 10.377 1.00 97.17 22 A 1 ATOM 173 C CG . GLN A 0 22 . 2.233 -9.501 9.630 1.00 97.17 22 A 1 ATOM 174 C CD . GLN A 0 22 . 3.450 -9.941 8.830 1.00 97.17 22 A 1 ATOM 175 N NE2 . GLN A 0 22 . 4.556 -10.237 9.478 1.00 97.17 22 A 1 ATOM 176 O OE1 . GLN A 0 22 . 3.463 -10.017 7.615 1.00 97.17 22 A 1 ATOM 177 N N . VAL A 0 23 . -0.682 -6.075 8.446 1.00 97.18 23 A 1 ATOM 178 C CA . VAL A 0 23 . -1.219 -4.737 8.151 1.00 97.18 23 A 1 ATOM 179 C C . VAL A 0 23 . -2.270 -4.331 9.184 1.00 97.18 23 A 1 ATOM 180 C CB . VAL A 0 23 . -1.805 -4.665 6.730 1.00 97.18 23 A 1 ATOM 181 O O . VAL A 0 23 . -2.221 -3.215 9.693 1.00 97.18 23 A 1 ATOM 182 C CG1 . VAL A 0 23 . -2.469 -3.309 6.453 1.00 97.18 23 A 1 ATOM 183 C CG2 . VAL A 0 23 . -0.708 -4.839 5.676 1.00 97.18 23 A 1 ATOM 184 N N . ALA A 0 24 . -3.190 -5.229 9.538 1.00 96.34 24 A 1 ATOM 185 C CA . ALA A 0 24 . -4.222 -4.966 10.536 1.00 96.34 24 A 1 ATOM 186 C C . ALA A 0 24 . -3.625 -4.673 11.927 1.00 96.34 24 A 1 ATOM 187 C CB . ALA A 0 24 . -5.165 -6.174 10.546 1.00 96.34 24 A 1 ATOM 188 O O . ALA A 0 24 . -4.045 -3.731 12.596 1.00 96.34 24 A 1 ATOM 189 N N . SER A 0 25 . -2.610 -5.437 12.343 1.00 96.83 25 A 1 ATOM 190 C CA . SER A 0 25 . -1.857 -5.185 13.578 1.00 96.83 25 A 1 ATOM 191 C C . SER A 0 25 . -1.122 -3.851 13.517 1.00 96.83 25 A 1 ATOM 192 C CB . SER A 0 25 . -0.842 -6.303 13.815 1.00 96.83 25 A 1 ATOM 193 O O . SER A 0 25 . -1.151 -3.093 14.477 1.00 96.83 25 A 1 ATOM 194 O OG . SER A 0 25 . -0.321 -6.249 15.129 1.00 96.83 25 A 1 ATOM 195 N N . TRP A 0 26 . -0.515 -3.520 12.377 1.00 97.10 26 A 1 ATOM 196 C CA . TRP A 0 26 . 0.161 -2.240 12.202 1.00 97.10 26 A 1 ATOM 197 C C . TRP A 0 26 . -0.800 -1.050 12.332 1.00 97.10 26 A 1 ATOM 198 C CB . TRP A 0 26 . 0.881 -2.233 10.852 1.00 97.10 26 A 1 ATOM 199 O O . TRP A 0 26 . -0.442 -0.056 12.956 1.00 97.10 26 A 1 ATOM 200 C CG . TRP A 0 26 . 1.384 -0.886 10.462 1.00 97.10 26 A 1 ATOM 201 C CD1 . TRP A 0 26 . 2.418 -0.248 11.048 1.00 97.10 26 A 1 ATOM 202 C CD2 . TRP A 0 26 . 0.809 0.056 9.508 1.00 97.10 26 A 1 ATOM 203 C CE2 . TRP A 0 26 . 1.577 1.255 9.557 1.00 97.10 26 A 1 ATOM 204 C CE3 . TRP A 0 26 . -0.288 0.029 8.619 1.00 97.10 26 A 1 ATOM 205 N NE1 . TRP A 0 26 . 2.542 1.015 10.512 1.00 97.10 26 A 1 ATOM 206 C CH2 . TRP A 0 26 . 0.195 2.306 7.876 1.00 97.10 26 A 1 ATOM 207 C CZ2 . TRP A 0 26 . 1.296 2.360 8.745 1.00 97.10 26 A 1 ATOM 208 C CZ3 . TRP A 0 26 . -0.591 1.142 7.810 1.00 97.10 26 A 1 ATOM 209 N N . ILE A 0 27 . -2.021 -1.152 11.789 1.00 96.47 27 A 1 ATOM 210 C CA . ILE A 0 27 . -3.074 -0.132 11.942 1.00 96.47 27 A 1 ATOM 211 C C . ILE A 0 27 . -3.443 0.075 13.420 1.00 96.47 27 A 1 ATOM 212 C CB . ILE A 0 27 . -4.300 -0.505 11.075 1.00 96.47 27 A 1 ATOM 213 O O . ILE A 0 27 . -3.638 1.208 13.862 1.00 96.47 27 A 1 ATOM 214 C CG1 . ILE A 0 27 . -4.035 -0.309 9.565 1.00 96.47 27 A 1 ATOM 215 C CG2 . ILE A 0 27 . -5.575 0.255 11.472 1.00 96.47 27 A 1 ATOM 216 C CD1 . ILE A 0 27 . -3.802 1.136 9.101 1.00 96.47 27 A 1 ATOM 217 N N . GLU A 0 28 . -3.497 -1.000 14.201 1.00 96.06 28 A 1 ATOM 218 C CA . GLU A 0 28 . -3.699 -0.927 15.649 1.00 96.06 28 A 1 ATOM 219 C C . GLU A 0 28 . -2.505 -0.263 16.358 1.00 96.06 28 A 1 ATOM 220 C CB . GLU A 0 28 . -4.019 -2.344 16.147 1.00 96.06 28 A 1 ATOM 221 O O . GLU A 0 28 . -2.711 0.643 17.167 1.00 96.06 28 A 1 ATOM 222 C CG . GLU A 0 28 . -4.270 -2.461 17.653 1.00 96.06 28 A 1 ATOM 223 C CD . GLU A 0 28 . -4.881 -3.825 18.022 1.00 96.06 28 A 1 ATOM 224 O OE1 . GLU A 0 28 . -5.666 -3.877 18.993 1.00 96.06 28 A 1 ATOM 225 O OE2 . GLU A 0 28 . -4.657 -4.828 17.296 1.00 96.06 28 A 1 ATOM 226 N N . ASP A 0 29 . -1.270 -0.614 15.984 1.00 96.42 29 A 1 ATOM 227 C CA . ASP A 0 29 . -0.037 -0.067 16.570 1.00 96.42 29 A 1 ATOM 228 C C . ASP A 0 29 . 0.123 1.446 16.344 1.00 96.42 29 A 1 ATOM 229 C CB . ASP A 0 29 . 1.196 -0.780 15.985 1.00 96.42 29 A 1 ATOM 230 O O . ASP A 0 29 . 0.661 2.154 17.198 1.00 96.42 29 A 1 ATOM 231 C CG . ASP A 0 29 . 1.343 -2.256 16.371 1.00 96.42 29 A 1 ATOM 232 O OD1 . ASP A 0 29 . 0.846 -2.649 17.449 1.00 96.42 29 A 1 ATOM 233 O OD2 . ASP A 0 29 . 2.034 -2.972 15.606 1.00 96.42 29 A 1 ATOM 234 N N . ILE A 0 30 . -0.351 1.974 15.209 1.00 95.80 30 A 1 ATOM 235 C CA . ILE A 0 30 . -0.346 3.423 14.938 1.00 95.80 30 A 1 ATOM 236 C C . ILE A 0 30 . -1.490 4.178 15.642 1.00 95.80 30 A 1 ATOM 237 C CB . ILE A 0 30 . -0.275 3.738 13.427 1.00 95.80 30 A 1 ATOM 238 O O . ILE A 0 30 . -1.581 5.397 15.495 1.00 95.80 30 A 1 ATOM 239 C CG1 . ILE A 0 30 . -1.495 3.183 12.678 1.00 95.80 30 A 1 ATOM 240 C CG2 . ILE A 0 30 . 1.035 3.209 12.816 1.00 95.80 30 A 1 ATOM 241 C CD1 . ILE A 0 30 . -1.644 3.693 11.239 1.00 95.80 30 A 1 ATOM 242 N N . GLY A 0 31 . -2.337 3.484 16.413 1.00 95.29 31 A 1 ATOM 243 C CA . GLY A 0 31 . -3.413 4.067 17.221 1.00 95.29 31 A 1 ATOM 244 C C . GLY A 0 31 . -4.793 4.088 16.559 1.00 95.29 31 A 1 ATOM 245 O O . GLY A 0 31 . -5.688 4.760 17.062 1.00 95.29 31 A 1 ATOM 246 N N . TYR A 0 32 . -4.979 3.363 15.453 1.00 95.01 32 A 1 ATOM 247 C CA . TYR A 0 32 . -6.204 3.359 14.647 1.00 95.01 32 A 1 ATOM 248 C C . TYR A 0 32 . -6.942 2.012 14.709 1.00 95.01 32 A 1 ATOM 249 C CB . TYR A 0 32 . -5.855 3.813 13.222 1.00 95.01 32 A 1 ATOM 250 O O . TYR A 0 32 . -7.432 1.504 13.699 1.00 95.01 32 A 1 ATOM 251 C CG . TYR A 0 32 . -5.554 5.294 13.108 1.00 95.01 32 A 1 ATOM 252 C CD1 . TYR A 0 32 . -6.552 6.244 13.385 1.00 95.01 32 A 1 ATOM 253 C CD2 . TYR A 0 32 . -4.261 5.726 12.769 1.00 95.01 32 A 1 ATOM 254 C CE1 . TYR A 0 32 . -6.235 7.612 13.386 1.00 95.01 32 A 1 ATOM 255 C CE2 . TYR A 0 32 . -3.935 7.091 12.759 1.00 95.01 32 A 1 ATOM 256 O OH . TYR A 0 32 . -4.628 9.356 13.163 1.00 95.01 32 A 1 ATOM 257 C CZ . TYR A 0 32 . -4.925 8.035 13.092 1.00 95.01 32 A 1 ATOM 258 N N . SER A 0 33 . -7.036 1.419 15.904 1.00 95.22 33 A 1 ATOM 259 C CA . SER A 0 33 . -7.640 0.094 16.122 1.00 95.22 33 A 1 ATOM 260 C C . SER A 0 33 . -9.081 -0.022 15.612 1.00 95.22 33 A 1 ATOM 261 C CB . SER A 0 33 . -7.589 -0.264 17.610 1.00 95.22 33 A 1 ATOM 262 O O . SER A 0 33 . -9.478 -1.094 15.162 1.00 95.22 33 A 1 ATOM 263 O OG . SER A 0 33 . -8.297 0.683 18.386 1.00 95.22 33 A 1 ATOM 264 N N . GLN A 0 34 . -9.838 1.079 15.581 1.00 95.36 34 A 1 ATOM 265 C CA . GLN A 0 34 . -11.194 1.126 15.030 1.00 95.36 34 A 1 ATOM 266 C C . GLN A 0 34 . -11.265 0.785 13.534 1.00 95.36 34 A 1 ATOM 267 C CB . GLN A 0 34 . -11.852 2.491 15.317 1.00 95.36 34 A 1 ATOM 268 O O . GLN A 0 34 . -12.295 0.315 13.065 1.00 95.36 34 A 1 ATOM 269 C CG . GLN A 0 34 . -11.303 3.724 14.562 1.00 95.36 34 A 1 ATOM 270 C CD . GLN A 0 34 . -10.093 4.396 15.208 1.00 95.36 34 A 1 ATOM 271 N NE2 . GLN A 0 34 . -9.872 5.670 14.966 1.00 95.36 34 A 1 ATOM 272 O OE1 . GLN A 0 34 . -9.322 3.802 15.943 1.00 95.36 34 A 1 ATOM 273 N N . TYR A 0 35 . -10.179 0.984 12.782 1.00 95.50 35 A 1 ATOM 274 C CA . TYR A 0 35 . -10.119 0.670 11.351 1.00 95.50 35 A 1 ATOM 275 C C . TYR A 0 35 . -9.483 -0.695 11.067 1.00 95.50 35 A 1 ATOM 276 C CB . TYR A 0 35 . -9.419 1.808 10.600 1.00 95.50 35 A 1 ATOM 277 O O . TYR A 0 35 . -9.366 -1.093 9.909 1.00 95.50 35 A 1 ATOM 278 C CG . TYR A 0 35 . -10.075 3.166 10.778 1.00 95.50 35 A 1 ATOM 279 C CD1 . TYR A 0 35 . -11.438 3.354 10.475 1.00 95.50 35 A 1 ATOM 280 C CD2 . TYR A 0 35 . -9.318 4.253 11.246 1.00 95.50 35 A 1 ATOM 281 C CE1 . TYR A 0 35 . -12.029 4.622 10.637 1.00 95.50 35 A 1 ATOM 282 C CE2 . TYR A 0 35 . -9.909 5.511 11.442 1.00 95.50 35 A 1 ATOM 283 O OH . TYR A 0 35 . -11.850 6.921 11.274 1.00 95.50 35 A 1 ATOM 284 C CZ . TYR A 0 35 . -11.270 5.704 11.126 1.00 95.50 35 A 1 ATOM 285 N N . LYS A 0 36 . -9.088 -1.448 12.099 1.00 95.25 36 A 1 ATOM 286 C CA . LYS A 0 36 . -8.474 -2.773 11.947 1.00 95.25 36 A 1 ATOM 287 C C . LYS A 0 36 . -9.369 -3.741 11.171 1.00 95.25 36 A 1 ATOM 288 C CB . LYS A 0 36 . -8.159 -3.304 13.348 1.00 95.25 36 A 1 ATOM 289 O O . LYS A 0 36 . -8.896 -4.410 10.249 1.00 95.25 36 A 1 ATOM 290 C CG . LYS A 0 36 . -7.461 -4.664 13.311 1.00 95.25 36 A 1 ATOM 291 C CD . LYS A 0 36 . -7.190 -5.130 14.738 1.00 95.25 36 A 1 ATOM 292 C CE . LYS A 0 36 . -6.480 -6.482 14.743 1.00 95.25 36 A 1 ATOM 293 N NZ . LYS A 0 36 . -6.051 -6.806 16.123 1.00 95.25 36 A 1 ATOM 294 N N . GLU A 0 37 . -10.657 -3.797 11.516 1.00 95.01 37 A 1 ATOM 295 C CA . GLU A 0 37 . -11.633 -4.630 10.801 1.00 95.01 37 A 1 ATOM 296 C C . GLU A 0 37 . -11.789 -4.170 9.355 1.00 95.01 37 A 1 ATOM 297 C CB . GLU A 0 37 . -12.990 -4.647 11.519 1.00 95.01 37 A 1 ATOM 298 O O . GLU A 0 37 . -11.675 -4.996 8.455 1.00 95.01 37 A 1 ATOM 299 C CG . GLU A 0 37 . -12.976 -5.659 12.674 1.00 95.01 37 A 1 ATOM 300 C CD . GLU A 0 37 . -14.323 -5.787 13.405 1.00 95.01 37 A 1 ATOM 301 O OE1 . GLU A 0 37 . -14.453 -6.773 14.167 1.00 95.01 37 A 1 ATOM 302 O OE2 . GLU A 0 37 . -15.174 -4.883 13.260 1.00 95.01 37 A 1 ATOM 303 N N . CYS A 0 38 . -11.891 -2.860 9.109 1.00 94.57 38 A 1 ATOM 304 C CA . CYS A 0 38 . -11.976 -2.303 7.760 1.00 94.57 38 A 1 ATOM 305 C C . CYS A 0 38 . -10.828 -2.780 6.853 1.00 94.57 38 A 1 ATOM 306 C CB . CYS A 0 38 . -11.963 -0.770 7.850 1.00 94.57 38 A 1 ATOM 307 O O . CYS A 0 38 . -11.059 -3.184 5.715 1.00 94.57 38 A 1 ATOM 308 S SG . CYS A 0 38 . -13.356 -0.145 8.826 1.00 94.57 38 A 1 ATOM 309 N N . PHE A 0 39 . -9.586 -2.775 7.343 1.00 95.60 39 A 1 ATOM 310 C CA . PHE A 0 39 . -8.435 -3.251 6.566 1.00 95.60 39 A 1 ATOM 311 C C . PHE A 0 39 . -8.437 -4.774 6.379 1.00 95.60 39 A 1 ATOM 312 C CB . PHE A 0 39 . -7.134 -2.772 7.224 1.00 95.60 39 A 1 ATOM 313 O O . PHE A 0 39 . -8.047 -5.263 5.316 1.00 95.60 39 A 1 ATOM 314 C CG . PHE A 0 39 . -6.736 -1.361 6.830 1.00 95.60 39 A 1 ATOM 315 C CD1 . PHE A 0 39 . -5.626 -1.151 5.990 1.00 95.60 39 A 1 ATOM 316 C CD2 . PHE A 0 39 . -7.468 -0.251 7.290 1.00 95.60 39 A 1 ATOM 317 C CE1 . PHE A 0 39 . -5.253 0.153 5.617 1.00 95.60 39 A 1 ATOM 318 C CE2 . PHE A 0 39 . -7.090 1.054 6.933 1.00 95.60 39 A 1 ATOM 319 C CZ . PHE A 0 39 . -5.983 1.256 6.093 1.00 95.60 39 A 1 ATOM 320 N N . THR A 0 40 . -8.904 -5.519 7.381 1.00 95.58 40 A 1 ATOM 321 C CA . THR A 0 40 . -8.955 -6.987 7.341 1.00 95.58 40 A 1 ATOM 322 C C . THR A 0 40 . -10.038 -7.484 6.382 1.00 95.58 40 A 1 ATOM 323 C CB . THR A 0 40 . -9.181 -7.565 8.746 1.00 95.58 40 A 1 ATOM 324 O O . THR A 0 40 . -9.775 -8.339 5.536 1.00 95.58 40 A 1 ATOM 325 C CG2 . THR A 0 40 . -9.028 -9.086 8.767 1.00 95.58 40 A 1 ATOM 326 O OG1 . THR A 0 40 . -8.230 -7.049 9.652 1.00 95.58 40 A 1 ATOM 327 N N . GLU A 0 41 . -11.244 -6.919 6.457 1.00 95.59 41 A 1 ATOM 328 C CA . GLU A 0 41 . -12.381 -7.270 5.600 1.00 95.59 41 A 1 ATOM 329 C C . GLU A 0 41 . -12.102 -6.953 4.130 1.00 95.59 41 A 1 ATOM 330 C CB . GLU A 0 41 . -13.632 -6.509 6.052 1.00 95.59 41 A 1 ATOM 331 O O . GLU A 0 41 . -12.386 -7.770 3.254 1.00 95.59 41 A 1 ATOM 332 C CG . GLU A 0 41 . -14.188 -7.030 7.385 1.00 95.59 41 A 1 ATOM 333 C CD . GLU A 0 41 . -15.510 -6.351 7.772 1.00 95.59 41 A 1 ATOM 334 O OE1 . GLU A 0 41 . -16.211 -6.938 8.624 1.00 95.59 41 A 1 ATOM 335 O OE2 . GLU A 0 41 . -15.837 -5.296 7.180 1.00 95.59 41 A 1 ATOM 336 N N . ASN A 0 42 . -11.460 -5.813 3.861 1.00 94.93 42 A 1 ATOM 337 C CA . ASN A 0 42 . -11.056 -5.419 2.512 1.00 94.93 42 A 1 ATOM 338 C C . ASN A 0 42 . -9.777 -6.122 2.017 1.00 94.93 42 A 1 ATOM 339 C CB . ASN A 0 42 . -10.965 -3.889 2.434 1.00 94.93 42 A 1 ATOM 340 O O . ASN A 0 42 . -9.299 -5.804 0.928 1.00 94.93 42 A 1 ATOM 341 C CG . ASN A 0 42 . -12.333 -3.234 2.465 1.00 94.93 42 A 1 ATOM 342 N ND2 . ASN A 0 42 . -12.715 -2.625 3.559 1.00 94.93 42 A 1 ATOM 343 O OD1 . ASN A 0 42 . -13.057 -3.239 1.486 1.00 94.93 42 A 1 ATOM 344 N N . GLN A 0 43 . -9.229 -7.079 2.780 1.00 95.17 43 A 1 ATOM 345 C CA . GLN A 0 43 . -8.055 -7.881 2.411 1.00 95.17 43 A 1 ATOM 346 C C . GLN A 0 43 . -6.830 -7.028 2.045 1.00 95.17 43 A 1 ATOM 347 C CB . GLN A 0 43 . -8.423 -8.907 1.318 1.00 95.17 43 A 1 ATOM 348 O O . GLN A 0 43 . -6.123 -7.305 1.073 1.00 95.17 43 A 1 ATOM 349 C CG . GLN A 0 43 . -9.526 -9.885 1.742 1.00 95.17 43 A 1 ATOM 350 C CD . GLN A 0 43 . -9.102 -10.793 2.891 1.00 95.17 43 A 1 ATOM 351 N NE2 . GLN A 0 43 . -9.995 -11.103 3.800 1.00 95.17 43 A 1 ATOM 352 O OE1 . GLN A 0 43 . -7.974 -11.253 2.984 1.00 95.17 43 A 1 ATOM 353 N N . ILE A 0 44 . -6.576 -5.968 2.816 1.00 95.89 44 A 1 ATOM 354 C CA . ILE A 0 44 . -5.459 -5.059 2.556 1.00 95.89 44 A 1 ATOM 355 C C . ILE A 0 44 . -4.160 -5.684 3.059 1.00 95.89 44 A 1 ATOM 356 C CB . ILE A 0 44 . -5.724 -3.655 3.140 1.00 95.89 44 A 1 ATOM 357 O O . ILE A 0 44 . -3.866 -5.680 4.250 1.00 95.89 44 A 1 ATOM 358 C CG1 . ILE A 0 44 . -7.071 -3.063 2.666 1.00 95.89 44 A 1 ATOM 359 C CG2 . ILE A 0 44 . -4.575 -2.694 2.771 1.00 95.89 44 A 1 ATOM 360 C CD1 . ILE A 0 44 . -7.244 -2.993 1.140 1.00 95.89 44 A 1 ATOM 361 N N . ASP A 0 45 . -3.369 -6.206 2.125 1.00 94.82 45 A 1 ATOM 362 C CA . ASP A 0 45 . -2.010 -6.684 2.369 1.00 94.82 45 A 1 ATOM 363 C C . ASP A 0 45 . -0.962 -5.570 2.177 1.00 94.82 45 A 1 ATOM 364 C CB . ASP A 0 45 . -1.733 -7.940 1.513 1.00 94.82 45 A 1 ATOM 365 O O . ASP A 0 45 . -1.240 -4.454 1.717 1.00 94.82 45 A 1 ATOM 366 C CG . ASP A 0 45 . -1.502 -7.679 0.016 1.00 94.82 45 A 1 ATOM 367 O OD1 . ASP A 0 45 . -1.795 -6.562 -0.462 1.00 94.82 45 A 1 ATOM 368 O OD2 . ASP A 0 45 . -0.942 -8.557 -0.675 1.00 94.82 45 A 1 ATOM 369 N N . GLY A 0 46 . 0.289 -5.876 2.514 1.00 93.34 46 A 1 ATOM 370 C CA . GLY A 0 46 . 1.404 -4.940 2.414 1.00 93.34 46 A 1 ATOM 371 C C . GLY A 0 46 . 1.641 -4.406 1.001 1.00 93.34 46 A 1 ATOM 372 O O . GLY A 0 46 . 2.100 -3.277 0.814 1.00 93.34 46 A 1 ATOM 373 N N . ARG A 0 47 . 1.295 -5.190 -0.025 1.00 90.58 47 A 1 ATOM 374 C CA . ARG A 0 47 . 1.379 -4.763 -1.424 1.00 90.58 47 A 1 ATOM 375 C C . ARG A 0 47 . 0.229 -3.834 -1.809 1.00 90.58 47 A 1 ATOM 376 C CB . ARG A 0 47 . 1.441 -6.012 -2.304 1.00 90.58 47 A 1 ATOM 377 O O . ARG A 0 47 . 0.447 -2.897 -2.579 1.00 90.58 47 A 1 ATOM 378 C CG . ARG A 0 47 . 1.773 -5.626 -3.746 1.00 90.58 47 A 1 ATOM 379 C CD . ARG A 0 47 . 2.049 -6.884 -4.561 1.00 90.58 47 A 1 ATOM 380 N NE . ARG A 0 47 . 2.388 -6.530 -5.952 1.00 90.58 47 A 1 ATOM 381 N NH1 . ARG A 0 47 . 3.339 -8.530 -6.513 1.00 90.58 47 A 1 ATOM 382 N NH2 . ARG A 0 47 . 3.155 -6.902 -8.053 1.00 90.58 47 A 1 ATOM 383 C CZ . ARG A 0 47 . 2.963 -7.320 -6.831 1.00 90.58 47 A 1 ATOM 384 N N . SER A 0 48 . -0.961 -4.059 -1.264 1.00 92.44 48 A 1 ATOM 385 C CA . SER A 0 48 . -2.142 -3.220 -1.461 1.00 92.44 48 A 1 ATOM 386 C C . SER A 0 48 . -1.947 -1.820 -0.894 1.00 92.44 48 A 1 ATOM 387 C CB . SER A 0 48 . -3.378 -3.876 -0.843 1.00 92.44 48 A 1 ATOM 388 O O . SER A 0 48 . -2.449 -0.869 -1.492 1.00 92.44 48 A 1 ATOM 389 O OG . SER A 0 48 . -3.623 -5.091 -1.511 1.00 92.44 48 A 1 ATOM 390 N N . LEU A 0 49 . -1.124 -1.658 0.153 1.00 93.39 49 A 1 ATOM 391 C CA . LEU A 0 49 . -0.743 -0.345 0.696 1.00 93.39 49 A 1 ATOM 392 C C . LEU A 0 49 . -0.176 0.617 -0.361 1.00 93.39 49 A 1 ATOM 393 C CB . LEU A 0 49 . 0.266 -0.501 1.848 1.00 93.39 49 A 1 ATOM 394 O O . LEU A 0 49 . -0.355 1.824 -0.233 1.00 93.39 49 A 1 ATOM 395 C CG . LEU A 0 49 . -0.270 -1.176 3.125 1.00 93.39 49 A 1 ATOM 396 C CD1 . LEU A 0 49 . 0.848 -1.225 4.167 1.00 93.39 49 A 1 ATOM 397 C CD2 . LEU A 0 49 . -1.454 -0.414 3.727 1.00 93.39 49 A 1 ATOM 398 N N . ILE A 0 50 . 0.447 0.115 -1.437 1.00 90.00 50 A 1 ATOM 399 C CA . ILE A 0 50 . 0.938 0.955 -2.548 1.00 90.00 50 A 1 ATOM 400 C C . ILE A 0 50 . -0.202 1.767 -3.185 1.00 90.00 50 A 1 ATOM 401 C CB . ILE A 0 50 . 1.630 0.084 -3.624 1.00 90.00 50 A 1 ATOM 402 O O . ILE A 0 50 . 0.005 2.907 -3.604 1.00 90.00 50 A 1 ATOM 403 C CG1 . ILE A 0 50 . 2.851 -0.675 -3.050 1.00 90.00 50 A 1 ATOM 404 C CG2 . ILE A 0 50 . 2.060 0.944 -4.832 1.00 90.00 50 A 1 ATOM 405 C CD1 . ILE A 0 50 . 3.449 -1.690 -4.039 1.00 90.00 50 A 1 ATOM 406 N N . ASN A 0 51 . -1.395 1.176 -3.260 1.00 87.00 51 A 1 ATOM 407 C CA . ASN A 0 51 . -2.582 1.772 -3.868 1.00 87.00 51 A 1 ATOM 408 C C . ASN A 0 51 . -3.446 2.536 -2.857 1.00 87.00 51 A 1 ATOM 409 C CB . ASN A 0 51 . -3.380 0.659 -4.564 1.00 87.00 51 A 1 ATOM 410 O O . ASN A 0 51 . -4.454 3.122 -3.249 1.00 87.00 51 A 1 ATOM 411 C CG . ASN A 0 51 . -2.635 0.017 -5.717 1.00 87.00 51 A 1 ATOM 412 N ND2 . ASN A 0 51 . -2.902 -1.241 -5.981 1.00 87.00 51 A 1 ATOM 413 O OD1 . ASN A 0 51 . -1.826 0.620 -6.405 1.00 87.00 51 A 1 ATOM 414 N N . ILE A 0 52 . -3.069 2.541 -1.575 1.00 90.46 52 A 1 ATOM 415 C CA . ILE A 0 52 . -3.785 3.283 -0.543 1.00 90.46 52 A 1 ATOM 416 C C . ILE A 0 52 . -3.387 4.754 -0.619 1.00 90.46 52 A 1 ATOM 417 C CB . ILE A 0 52 . -3.584 2.665 0.854 1.00 90.46 52 A 1 ATOM 418 O O . ILE A 0 52 . -2.232 5.144 -0.425 1.00 90.46 52 A 1 ATOM 419 C CG1 . ILE A 0 52 . -4.094 1.208 0.917 1.00 90.46 52 A 1 ATOM 420 C CG2 . ILE A 0 52 . -4.270 3.525 1.933 1.00 90.46 52 A 1 ATOM 421 C CD1 . ILE A 0 52 . -5.579 1.024 0.623 1.00 90.46 52 A 1 ATOM 422 N N . HIS A 0 53 . -4.368 5.589 -0.930 1.00 86.56 53 A 1 ATOM 423 C CA . HIS A 0 53 . -4.256 7.037 -1.003 1.00 86.56 53 A 1 ATOM 424 C C . HIS A 0 53 . -5.354 7.683 -0.157 1.00 86.56 53 A 1 ATOM 425 C CB . HIS A 0 53 . -4.329 7.474 -2.477 1.00 86.56 53 A 1 ATOM 426 O O . HIS A 0 53 . -6.340 7.044 0.209 1.00 86.56 53 A 1 ATOM 427 C CG . HIS A 0 53 . -3.236 6.906 -3.354 1.00 86.56 53 A 1 ATOM 428 C CD2 . HIS A 0 53 . -3.330 6.622 -4.689 1.00 86.56 53 A 1 ATOM 429 N ND1 . HIS A 0 53 . -1.986 6.497 -2.945 1.00 86.56 53 A 1 ATOM 430 C CE1 . HIS A 0 53 . -1.354 5.971 -4.006 1.00 86.56 53 A 1 ATOM 431 N NE2 . HIS A 0 53 . -2.112 6.075 -5.106 1.00 86.56 53 A 1 ATOM 432 N N . SER A 0 54 . -5.229 8.985 0.095 1.00 88.94 54 A 1 ATOM 433 C CA . SER A 0 54 . -6.257 9.743 0.817 1.00 88.94 54 A 1 ATOM 434 C C . SER A 0 54 . -7.640 9.650 0.162 1.00 88.94 54 A 1 ATOM 435 C CB . SER A 0 54 . -5.840 11.210 0.929 1.00 88.94 54 A 1 ATOM 436 O O . SER A 0 54 . -8.650 9.715 0.851 1.00 88.94 54 A 1 ATOM 437 O OG . SER A 0 54 . -5.509 11.743 -0.346 1.00 88.94 54 A 1 ATOM 438 N N . SER A 0 55 . -7.698 9.451 -1.158 1.00 89.74 55 A 1 ATOM 439 C CA . SER A 0 55 . -8.944 9.256 -1.901 1.00 89.74 55 A 1 ATOM 440 C C . SER A 0 55 . -9.520 7.843 -1.808 1.00 89.74 55 A 1 ATOM 441 C CB . SER A 0 55 . -8.725 9.600 -3.376 1.00 89.74 55 A 1 ATOM 442 O O . SER A 0 55 . -10.710 7.681 -2.049 1.00 89.74 55 A 1 ATOM 443 O OG . SER A 0 55 . -7.664 8.826 -3.917 1.00 89.74 55 A 1 ATOM 444 N N . THR A 0 56 . -8.718 6.820 -1.496 1.00 90.98 56 A 1 ATOM 445 C CA . THR A 0 56 . -9.190 5.425 -1.430 1.00 90.98 56 A 1 ATOM 446 C C . THR A 0 56 . -9.674 5.046 -0.033 1.00 90.98 56 A 1 ATOM 447 C CB . THR A 0 56 . -8.132 4.421 -1.905 1.00 90.98 56 A 1 ATOM 448 O O . THR A 0 56 . -10.545 4.194 0.095 1.00 90.98 56 A 1 ATOM 449 C CG2 . THR A 0 56 . -7.656 4.713 -3.327 1.00 90.98 56 A 1 ATOM 450 O OG1 . THR A 0 56 . -7.013 4.447 -1.056 1.00 90.98 56 A 1 ATOM 451 N N . LEU A 0 57 . -9.135 5.691 1.006 1.00 93.81 57 A 1 ATOM 452 C CA . LEU A 0 57 . -9.469 5.448 2.415 1.00 93.81 57 A 1 ATOM 453 C C . LEU A 0 57 . -10.974 5.569 2.750 1.00 93.81 57 A 1 ATOM 454 C CB . LEU A 0 57 . -8.579 6.360 3.283 1.00 93.81 57 A 1 ATOM 455 O O . LEU A 0 57 . -11.475 4.680 3.441 1.00 93.81 57 A 1 ATOM 456 C CG . LEU A 0 57 . -7.132 5.860 3.441 1.00 93.81 57 A 1 ATOM 457 C CD1 . LEU A 0 57 . -6.303 6.905 4.183 1.00 93.81 57 A 1 ATOM 458 C CD2 . LEU A 0 57 . -7.027 4.559 4.240 1.00 93.81 57 A 1 ATOM 459 N N . PRO A 0 58 . -11.735 6.538 2.201 1.00 94.15 58 A 1 ATOM 460 C CA . PRO A 0 58 . -13.186 6.597 2.399 1.00 94.15 58 A 1 ATOM 461 C C . PRO A 0 58 . -13.928 5.346 1.930 1.00 94.15 58 A 1 ATOM 462 C CB . PRO A 0 58 . -13.653 7.834 1.629 1.00 94.15 58 A 1 ATOM 463 O O . PRO A 0 58 . -14.863 4.901 2.587 1.00 94.15 58 A 1 ATOM 464 C CG . PRO A 0 58 . -12.427 8.741 1.661 1.00 94.15 58 A 1 ATOM 465 C CD . PRO A 0 58 . -11.274 7.752 1.546 1.00 94.15 58 A 1 ATOM 466 N N . TYR A 0 59 . -13.490 4.739 0.824 1.00 92.33 59 A 1 ATOM 467 C CA . TYR A 0 59 . -14.109 3.522 0.292 1.00 92.33 59 A 1 ATOM 468 C C . TYR A 0 59 . -13.795 2.280 1.134 1.00 92.33 59 A 1 ATOM 469 C CB . TYR A 0 59 . -13.670 3.306 -1.160 1.00 92.33 59 A 1 ATOM 470 O O . TYR A 0 59 . -14.507 1.289 1.032 1.00 92.33 59 A 1 ATOM 471 C CG . TYR A 0 59 . -14.025 4.447 -2.092 1.00 92.33 59 A 1 ATOM 472 C CD1 . TYR A 0 59 . -15.324 4.547 -2.626 1.00 92.33 59 A 1 ATOM 473 C CD2 . TYR A 0 59 . -13.060 5.415 -2.417 1.00 92.33 59 A 1 ATOM 474 C CE1 . TYR A 0 59 . -15.649 5.605 -3.497 1.00 92.33 59 A 1 ATOM 475 C CE2 . TYR A 0 59 . -13.375 6.469 -3.293 1.00 92.33 59 A 1 ATOM 476 O OH . TYR A 0 59 . -14.978 7.588 -4.674 1.00 92.33 59 A 1 ATOM 477 C CZ . TYR A 0 59 . -14.672 6.565 -3.835 1.00 92.33 59 A 1 ATOM 478 N N . LEU A 0 60 . -12.751 2.338 1.965 1.00 92.45 60 A 1 ATOM 479 C CA . LEU A 0 60 . -12.398 1.280 2.913 1.00 92.45 60 A 1 ATOM 480 C C . LEU A 0 60 . -13.169 1.391 4.231 1.00 92.45 60 A 1 ATOM 481 C CB . LEU A 0 60 . -10.879 1.317 3.158 1.00 92.45 60 A 1 ATOM 482 O O . LEU A 0 60 . -13.171 0.436 4.996 1.00 92.45 60 A 1 ATOM 483 C CG . LEU A 0 60 . -10.096 0.882 1.916 1.00 92.45 60 A 1 ATOM 484 C CD1 . LEU A 0 60 . -8.657 1.359 1.969 1.00 92.45 60 A 1 ATOM 485 C CD2 . LEU A 0 60 . -10.069 -0.633 1.774 1.00 92.45 60 A 1 ATOM 486 N N . GLY A 0 61 . -13.809 2.534 4.499 1.00 92.44 61 A 1 ATOM 487 C CA . GLY A 0 61 . -14.519 2.813 5.751 1.00 92.44 61 A 1 ATOM 488 C C . GLY A 0 61 . -13.852 3.867 6.641 1.00 92.44 61 A 1 ATOM 489 O O . GLY A 0 61 . -14.388 4.190 7.696 1.00 92.44 61 A 1 ATOM 490 N N . VAL A 0 62 . -12.721 4.449 6.227 1.00 94.03 62 A 1 ATOM 491 C CA . VAL A 0 62 . -12.072 5.550 6.957 1.00 94.03 62 A 1 ATOM 492 C C . VAL A 0 62 . -12.648 6.877 6.466 1.00 94.03 62 A 1 ATOM 493 C CB . VAL A 0 62 . -10.544 5.521 6.792 1.00 94.03 62 A 1 ATOM 494 O O . VAL A 0 62 . -12.237 7.387 5.424 1.00 94.03 62 A 1 ATOM 495 C CG1 . VAL A 0 62 . -9.865 6.573 7.679 1.00 94.03 62 A 1 ATOM 496 C CG2 . VAL A 0 62 . -9.933 4.153 7.115 1.00 94.03 62 A 1 ATOM 497 N N . THR A 0 63 . -13.617 7.433 7.192 1.00 92.67 63 A 1 ATOM 498 C CA . THR A 0 63 . -14.344 8.647 6.776 1.00 92.67 63 A 1 ATOM 499 C C . THR A 0 63 . -13.835 9.929 7.425 1.00 92.67 63 A 1 ATOM 500 C CB . THR A 0 63 . -15.846 8.501 7.049 1.00 92.67 63 A 1 ATOM 501 O O . THR A 0 63 . -14.002 11.004 6.849 1.00 92.67 63 A 1 ATOM 502 C CG2 . THR A 0 63 . -16.450 7.378 6.203 1.00 92.67 63 A 1 ATOM 503 O OG1 . THR A 0 63 . -16.084 8.183 8.402 1.00 92.67 63 A 1 ATOM 504 N N . GLU A 0 64 . -13.206 9.836 8.598 1.00 95.70 64 A 1 ATOM 505 C CA . GLU A 0 64 . -12.739 11.007 9.339 1.00 95.70 64 A 1 ATOM 506 C C . GLU A 0 64 . -11.526 11.654 8.668 1.00 95.70 64 A 1 ATOM 507 C CB . GLU A 0 64 . -12.433 10.642 10.800 1.00 95.70 64 A 1 ATOM 508 O O . GLU A 0 64 . -10.515 11.009 8.390 1.00 95.70 64 A 1 ATOM 509 C CG . GLU A 0 64 . -13.700 10.371 11.624 1.00 95.70 64 A 1 ATOM 510 C CD . GLU A 0 64 . -14.681 11.550 11.548 1.00 95.70 64 A 1 ATOM 511 O OE1 . GLU A 0 64 . -15.832 11.318 11.114 1.00 95.70 64 A 1 ATOM 512 O OE2 . GLU A 0 64 . -14.244 12.695 11.808 1.00 95.70 64 A 1 ATOM 513 N N . PHE A 0 65 . -11.610 12.961 8.411 1.00 93.77 65 A 1 ATOM 514 C CA . PHE A 0 65 . -10.605 13.677 7.621 1.00 93.77 65 A 1 ATOM 515 C C . PHE A 0 65 . -9.205 13.645 8.253 1.00 93.77 65 A 1 ATOM 516 C CB . PHE A 0 65 . -11.071 15.122 7.406 1.00 93.77 65 A 1 ATOM 517 O O . PHE A 0 65 . -8.216 13.424 7.547 1.00 93.77 65 A 1 ATOM 518 C CG . PHE A 0 65 . -10.059 15.973 6.664 1.00 93.77 65 A 1 ATOM 519 C CD1 . PHE A 0 65 . -9.193 16.825 7.376 1.00 93.77 65 A 1 ATOM 520 C CD2 . PHE A 0 65 . -9.947 15.877 5.265 1.00 93.77 65 A 1 ATOM 521 C CE1 . PHE A 0 65 . -8.233 17.590 6.691 1.00 93.77 65 A 1 ATOM 522 C CE2 . PHE A 0 65 . -8.986 16.641 4.579 1.00 93.77 65 A 1 ATOM 523 C CZ . PHE A 0 65 . -8.132 17.501 5.292 1.00 93.77 65 A 1 ATOM 524 N N . GLU A 0 66 . -9.107 13.852 9.569 1.00 95.32 66 A 1 ATOM 525 C CA . GLU A 0 66 . -7.806 13.859 10.249 1.00 95.32 66 A 1 ATOM 526 C C . GLU A 0 66 . -7.196 12.449 10.297 1.00 95.32 66 A 1 ATOM 527 C CB . GLU A 0 66 . -7.924 14.502 11.643 1.00 95.32 66 A 1 ATOM 528 O O . GLU A 0 66 . -5.986 12.294 10.116 1.00 95.32 66 A 1 ATOM 529 C CG . GLU A 0 66 . -6.574 15.044 12.168 1.00 95.32 66 A 1 ATOM 530 C CD . GLU A 0 66 . -5.961 16.171 11.297 1.00 95.32 66 A 1 ATOM 531 O OE1 . GLU A 0 66 . -4.711 16.322 11.221 1.00 95.32 66 A 1 ATOM 532 O OE2 . GLU A 0 66 . -6.717 16.912 10.632 1.00 95.32 66 A 1 ATOM 533 N N . ASP A 0 67 . -8.035 11.416 10.407 1.00 95.39 67 A 1 ATOM 534 C CA . ASP A 0 67 . -7.611 10.016 10.340 1.00 95.39 67 A 1 ATOM 535 C C . ASP A 0 67 . -7.099 9.672 8.942 1.00 95.39 67 A 1 ATOM 536 C CB . ASP A 0 67 . -8.764 9.077 10.720 1.00 95.39 67 A 1 ATOM 537 O O . ASP A 0 67 . -6.007 9.122 8.803 1.00 95.39 67 A 1 ATOM 538 C CG . ASP A 0 67 . -9.233 9.214 12.171 1.00 95.39 67 A 1 ATOM 539 O OD1 . ASP A 0 67 . -8.587 9.952 12.945 1.00 95.39 67 A 1 ATOM 540 O OD2 . ASP A 0 67 . -10.216 8.517 12.510 1.00 95.39 67 A 1 ATOM 541 N N . ILE A 0 68 . -7.821 10.075 7.888 1.00 95.33 68 A 1 ATOM 542 C CA . ILE A 0 68 . -7.388 9.903 6.494 1.00 95.33 68 A 1 ATOM 543 C C . ILE A 0 68 . -6.008 10.528 6.292 1.00 95.33 68 A 1 ATOM 544 C CB . ILE A 0 68 . -8.416 10.520 5.514 1.00 95.33 68 A 1 ATOM 545 O O . ILE A 0 68 . -5.117 9.904 5.706 1.00 95.33 68 A 1 ATOM 546 C CG1 . ILE A 0 68 . -9.719 9.693 5.496 1.00 95.33 68 A 1 ATOM 547 C CG2 . ILE A 0 68 . -7.865 10.625 4.075 1.00 95.33 68 A 1 ATOM 548 C CD1 . ILE A 0 68 . -10.875 10.411 4.791 1.00 95.33 68 A 1 ATOM 549 N N . LYS A 0 69 . -5.812 11.759 6.767 1.00 93.49 69 A 1 ATOM 550 C CA . LYS A 0 69 . -4.549 12.491 6.633 1.00 93.49 69 A 1 ATOM 551 C C . LYS A 0 69 . -3.410 11.787 7.374 1.00 93.49 69 A 1 ATOM 552 C CB . LYS A 0 69 . -4.798 13.906 7.154 1.00 93.49 69 A 1 ATOM 553 O O . LYS A 0 69 . -2.345 11.578 6.789 1.00 93.49 69 A 1 ATOM 554 C CG . LYS A 0 69 . -3.580 14.832 7.057 1.00 93.49 69 A 1 ATOM 555 C CD . LYS A 0 69 . -3.994 16.150 7.710 1.00 93.49 69 A 1 ATOM 556 C CE . LYS A 0 69 . -2.817 17.053 8.060 1.00 93.49 69 A 1 ATOM 557 N NZ . LYS A 0 69 . -3.232 17.894 9.210 1.00 93.49 69 A 1 ATOM 558 N N . SER A 0 70 . -3.642 11.392 8.621 1.00 94.88 70 A 1 ATOM 559 C CA . SER A 0 70 . -2.652 10.727 9.468 1.00 94.88 70 A 1 ATOM 560 C C . SER A 0 70 . -2.281 9.337 8.944 1.00 94.88 70 A 1 ATOM 561 C CB . SER A 0 70 . -3.221 10.633 10.875 1.00 94.88 70 A 1 ATOM 562 O O . SER A 0 70 . -1.100 9.059 8.724 1.00 94.88 70 A 1 ATOM 563 O OG . SER A 0 70 . -2.282 10.054 11.754 1.00 94.88 70 A 1 ATOM 564 N N . ILE A 0 71 . -3.272 8.500 8.620 1.00 95.23 71 A 1 ATOM 565 C CA . ILE A 0 71 . -3.061 7.165 8.043 1.00 95.23 71 A 1 ATOM 566 C C . ILE A 0 71 . -2.327 7.283 6.709 1.00 95.23 71 A 1 ATOM 567 C CB . ILE A 0 71 . -4.401 6.405 7.895 1.00 95.23 71 A 1 ATOM 568 O O . ILE A 0 71 . -1.354 6.569 6.484 1.00 95.23 71 A 1 ATOM 569 C CG1 . ILE A 0 71 . -4.976 6.080 9.293 1.00 95.23 71 A 1 ATOM 570 C CG2 . ILE A 0 71 . -4.220 5.101 7.088 1.00 95.23 71 A 1 ATOM 571 C CD1 . ILE A 0 71 . -6.427 5.589 9.271 1.00 95.23 71 A 1 ATOM 572 N N . THR A 0 72 . -2.711 8.225 5.841 1.00 92.66 72 A 1 ATOM 573 C CA . THR A 0 72 . -1.999 8.446 4.571 1.00 92.66 72 A 1 ATOM 574 C C . THR A 0 72 . -0.533 8.813 4.808 1.00 92.66 72 A 1 ATOM 575 C CB . THR A 0 72 . -2.663 9.540 3.722 1.00 92.66 72 A 1 ATOM 576 O O . THR A 0 72 . 0.340 8.311 4.102 1.00 92.66 72 A 1 ATOM 577 C CG2 . THR A 0 72 . -1.977 9.731 2.367 1.00 92.66 72 A 1 ATOM 578 O OG1 . THR A 0 72 . -3.988 9.200 3.408 1.00 92.66 72 A 1 ATOM 579 N N . CYS A 0 73 . -0.238 9.662 5.796 1.00 92.05 73 A 1 ATOM 580 C CA . CYS A 0 73 . 1.137 10.002 6.161 1.00 92.05 73 A 1 ATOM 581 C C . CYS A 0 73 . 1.910 8.762 6.641 1.00 92.05 73 A 1 ATOM 582 C CB . CYS A 0 73 . 1.101 11.120 7.210 1.00 92.05 73 A 1 ATOM 583 O O . CYS A 0 73 . 2.989 8.463 6.126 1.00 92.05 73 A 1 ATOM 584 S SG . CYS A 0 73 . 2.788 11.735 7.456 1.00 92.05 73 A 1 ATOM 585 N N . LYS A 0 74 . 1.308 7.968 7.533 1.00 94.59 74 A 1 ATOM 586 C CA . LYS A 0 74 . 1.905 6.740 8.075 1.00 94.59 74 A 1 ATOM 587 C C . LYS A 0 74 . 2.140 5.664 7.017 1.00 94.59 74 A 1 ATOM 588 C CB . LYS A 0 74 . 1.030 6.223 9.238 1.00 94.59 74 A 1 ATOM 589 O O . LYS A 0 74 . 3.198 5.042 7.017 1.00 94.59 74 A 1 ATOM 590 C CG . LYS A 0 74 . 1.119 7.097 10.501 1.00 94.59 74 A 1 ATOM 591 C CD . LYS A 0 74 . 2.492 6.937 11.167 1.00 94.59 74 A 1 ATOM 592 C CE . LYS A 0 74 . 2.779 8.008 12.216 1.00 94.59 74 A 1 ATOM 593 N NZ . LYS A 0 74 . 4.243 8.048 12.473 1.00 94.59 74 A 1 ATOM 594 N N . VAL A 0 75 . 1.221 5.491 6.067 1.00 93.75 75 A 1 ATOM 595 C CA . VAL A 0 75 . 1.413 4.593 4.914 1.00 93.75 75 A 1 ATOM 596 C C . VAL A 0 75 . 2.629 5.025 4.091 1.00 93.75 75 A 1 ATOM 597 C CB . VAL A 0 75 . 0.145 4.539 4.033 1.00 93.75 75 A 1 ATOM 598 O O . VAL A 0 75 . 3.432 4.186 3.687 1.00 93.75 75 A 1 ATOM 599 C CG1 . VAL A 0 75 . 0.391 3.822 2.697 1.00 93.75 75 A 1 ATOM 600 C CG2 . VAL A 0 75 . -0.993 3.786 4.732 1.00 93.75 75 A 1 ATOM 601 N N . ARG A 0 76 . 2.809 6.330 3.853 1.00 89.89 76 A 1 ATOM 602 C CA . ARG A 0 76 . 3.962 6.837 3.090 1.00 89.89 76 A 1 ATOM 603 C C . ARG A 0 76 . 5.276 6.632 3.829 1.00 89.89 76 A 1 ATOM 604 C CB . ARG A 0 76 . 3.776 8.315 2.746 1.00 89.89 76 A 1 ATOM 605 O O . ARG A 0 76 . 6.237 6.203 3.197 1.00 89.89 76 A 1 ATOM 606 C CG . ARG A 0 76 . 2.634 8.495 1.746 1.00 89.89 76 A 1 ATOM 607 C CD . ARG A 0 76 . 2.416 9.978 1.469 1.00 89.89 76 A 1 ATOM 608 N NE . ARG A 0 76 . 3.265 10.417 0.349 1.00 89.89 76 A 1 ATOM 609 N NH1 . ARG A 0 76 . 1.596 10.929 -1.148 1.00 89.89 76 A 1 ATOM 610 N NH2 . ARG A 0 76 . 3.755 11.210 -1.690 1.00 89.89 76 A 1 ATOM 611 C CZ . ARG A 0 76 . 2.860 10.842 -0.826 1.00 89.89 76 A 1 ATOM 612 N N . GLU A 0 77 . 5.291 6.876 5.136 1.00 91.01 77 A 1 ATOM 613 C CA . GLU A 0 77 . 6.441 6.617 6.006 1.00 91.01 77 A 1 ATOM 614 C C . GLU A 0 77 . 6.850 5.140 5.933 1.00 91.01 77 A 1 ATOM 615 C CB . GLU A 0 77 . 6.078 7.043 7.442 1.00 91.01 77 A 1 ATOM 616 O O . GLU A 0 77 . 7.990 4.820 5.600 1.00 91.01 77 A 1 ATOM 617 C CG . GLU A 0 77 . 7.263 6.965 8.415 1.00 91.01 77 A 1 ATOM 618 C CD . GLU A 0 77 . 6.900 7.336 9.868 1.00 91.01 77 A 1 ATOM 619 O OE1 . GLU A 0 77 . 7.796 7.231 10.731 1.00 91.01 77 A 1 ATOM 620 O OE2 . GLU A 0 77 . 5.731 7.696 10.170 1.00 91.01 77 A 1 ATOM 621 N N . VAL A 0 78 . 5.890 4.234 6.124 1.00 92.97 78 A 1 ATOM 622 C CA . VAL A 0 78 . 6.113 2.785 6.065 1.00 92.97 78 A 1 ATOM 623 C C . VAL A 0 78 . 6.593 2.319 4.694 1.00 92.97 78 A 1 ATOM 624 C CB . VAL A 0 78 . 4.824 2.066 6.495 1.00 92.97 78 A 1 ATOM 625 O O . VAL A 0 78 . 7.399 1.394 4.614 1.00 92.97 78 A 1 ATOM 626 C CG1 . VAL A 0 78 . 4.769 0.597 6.097 1.00 92.97 78 A 1 ATOM 627 C CG2 . VAL A 0 78 . 4.734 2.115 8.020 1.00 92.97 78 A 1 ATOM 628 N N . LEU A 0 79 . 6.137 2.956 3.613 1.00 90.96 79 A 1 ATOM 629 C CA . LEU A 0 79 . 6.561 2.664 2.244 1.00 90.96 79 A 1 ATOM 630 C C . LEU A 0 79 . 7.824 3.430 1.805 1.00 90.96 79 A 1 ATOM 631 C CB . LEU A 0 79 . 5.380 2.873 1.280 1.00 90.96 79 A 1 ATOM 632 O O . LEU A 0 79 . 8.171 3.380 0.621 1.00 90.96 79 A 1 ATOM 633 C CG . LEU A 0 79 . 4.208 1.890 1.454 1.00 90.96 79 A 1 ATOM 634 C CD1 . LEU A 0 79 . 3.119 2.266 0.450 1.00 90.96 79 A 1 ATOM 635 C CD2 . LEU A 0 79 . 4.614 0.438 1.186 1.00 90.96 79 A 1 ATOM 636 N N . ASN A 0 80 . 8.533 4.115 2.712 1.00 87.70 80 A 1 ATOM 637 C CA . ASN A 0 80 . 9.698 4.958 2.401 1.00 87.70 80 A 1 ATOM 638 C C . ASN A 0 80 . 9.441 5.920 1.220 1.00 87.70 80 A 1 ATOM 639 C CB . ASN A 0 80 . 10.957 4.090 2.208 1.00 87.70 80 A 1 ATOM 640 O O . ASN A 0 80 . 10.314 6.174 0.380 1.00 87.70 80 A 1 ATOM 641 C CG . ASN A 0 80 . 11.367 3.318 3.446 1.00 87.70 80 A 1 ATOM 642 N ND2 . ASN A 0 80 . 12.025 2.193 3.283 1.00 87.70 80 A 1 ATOM 643 O OD1 . ASN A 0 80 . 11.175 3.723 4.573 1.00 87.70 80 A 1 ATOM 644 N N . LEU A 0 81 . 8.208 6.412 1.112 1.00 84.85 81 A 1 ATOM 645 C CA . LEU A 0 81 . 7.804 7.380 0.107 1.00 84.85 81 A 1 ATOM 646 C C . LEU A 0 81 . 8.045 8.779 0.655 1.00 84.85 81 A 1 ATOM 647 C CB . LEU A 0 81 . 6.327 7.178 -0.269 1.00 84.85 81 A 1 ATOM 648 O O . LEU A 0 81 . 7.622 9.098 1.761 1.00 84.85 81 A 1 ATOM 649 C CG . LEU A 0 81 . 6.029 5.849 -0.978 1.00 84.85 81 A 1 ATOM 650 C CD1 . LEU A 0 81 . 4.528 5.729 -1.253 1.00 84.85 81 A 1 ATOM 651 C CD2 . LEU A 0 81 . 6.751 5.754 -2.319 1.00 84.85 81 A 1 ATOM 652 N N . GLU A 0 82 . 8.668 9.633 -0.154 1.00 78.85 82 A 1 ATOM 653 C CA . GLU A 0 82 . 8.798 11.047 0.188 1.00 78.85 82 A 1 ATOM 654 C C . GLU A 0 82 . 7.421 11.693 0.394 1.00 78.85 82 A 1 ATOM 655 C CB . GLU A 0 82 . 9.613 11.788 -0.885 1.00 78.85 82 A 1 ATOM 656 O O . GLU A 0 82 . 6.420 11.374 -0.281 1.00 78.85 82 A 1 ATOM 657 C CG . GLU A 0 82 . 11.118 11.528 -0.717 1.00 78.85 82 A 1 ATOM 658 C CD . GLU A 0 82 . 11.944 11.914 -1.952 1.00 78.85 82 A 1 ATOM 659 O OE1 . GLU A 0 82 . 12.989 11.258 -2.155 1.00 78.85 82 A 1 ATOM 660 O OE2 . GLU A 0 82 . 11.472 12.716 -2.795 1.00 78.85 82 A 1 ATOM 661 N N . GLU A 0 83 . 7.392 12.628 1.339 1.00 72.24 83 A 1 ATOM 662 C CA . GLU A 0 83 . 6.254 13.505 1.541 1.00 72.24 83 A 1 ATOM 663 C C . GLU A 0 83 . 5.990 14.301 0.255 1.00 72.24 83 A 1 ATOM 664 C CB . GLU A 0 83 . 6.487 14.372 2.788 1.00 72.24 83 A 1 ATOM 665 O O . GLU A 0 83 . 6.884 14.538 -0.567 1.00 72.24 83 A 1 ATOM 666 C CG . GLU A 0 83 . 5.188 15.048 3.254 1.00 72.24 83 A 1 ATOM 667 C CD . GLU A 0 83 . 5.230 15.537 4.711 1.00 72.24 83 A 1 ATOM 668 O OE1 . GLU A 0 83 . 4.123 15.815 5.225 1.00 72.24 83 A 1 ATOM 669 O OE2 . GLU A 0 83 . 6.335 15.608 5.289 1.00 72.24 83 A 1 ATOM 670 N N . ASN A 0 84 . 4.724 14.656 0.027 1.00 68.53 84 A 1 ATOM 671 C CA . ASN A 0 84 . 4.362 15.517 -1.093 1.00 68.53 84 A 1 ATOM 672 C C . ASN A 0 84 . 4.851 16.941 -0.792 1.00 68.53 84 A 1 ATOM 673 C CB . ASN A 0 84 . 2.847 15.445 -1.364 1.00 68.53 84 A 1 ATOM 674 O O . ASN A 0 84 . 4.084 17.802 -0.375 1.00 68.53 84 A 1 ATOM 675 C CG . ASN A 0 84 . 2.399 14.309 -2.264 1.00 68.53 84 A 1 ATOM 676 N ND2 . ASN A 0 84 . 1.108 14.087 -2.350 1.00 68.53 84 A 1 ATOM 677 O OD1 . ASN A 0 84 . 3.149 13.602 -2.920 1.00 68.53 84 A 1 ATOM 678 N N . GLU A 0 85 . 6.140 17.166 -1.013 1.00 66.97 85 A 1 ATOM 679 C CA . GLU A 0 85 . 6.777 18.474 -0.972 1.00 66.97 85 A 1 ATOM 680 C C . GLU A 0 85 . 6.063 19.417 -1.944 1.00 66.97 85 A 1 ATOM 681 C CB . GLU A 0 85 . 8.251 18.308 -1.370 1.00 66.97 85 A 1 ATOM 682 O O . GLU A 0 85 . 6.162 19.267 -3.166 1.00 66.97 85 A 1 ATOM 683 C CG . GLU A 0 85 . 9.117 17.734 -0.240 1.00 66.97 85 A 1 ATOM 684 C CD . GLU A 0 85 . 9.369 18.736 0.897 1.00 66.97 85 A 1 ATOM 685 O OE1 . GLU A 0 85 . 9.690 18.262 2.004 1.00 66.97 85 A 1 ATOM 686 O OE2 . GLU A 0 85 . 9.261 19.962 0.627 1.00 66.97 85 A 1 ATOM 687 N N . SER A 0 86 . 5.368 20.420 -1.406 1.00 67.52 86 A 1 ATOM 688 C CA . SER A 0 86 . 4.778 21.512 -2.193 1.00 67.52 86 A 1 ATOM 689 C C . SER A 0 86 . 5.843 22.283 -2.984 1.00 67.52 86 A 1 ATOM 690 C CB . SER A 0 86 . 4.023 22.457 -1.253 1.00 67.52 86 A 1 ATOM 691 O O . SER A 0 86 . 5.550 22.886 -4.014 1.00 67.52 86 A 1 ATOM 692 O OG . SER A 0 86 . 4.873 22.888 -0.205 1.00 67.52 86 A 1 ATOM 693 N N . SER A 0 87 . 7.095 22.206 -2.529 1.00 76.38 87 A 1 ATOM 694 C CA . SER A 0 87 . 8.284 22.792 -3.141 1.00 76.38 87 A 1 ATOM 695 C C . SER A 0 87 . 8.854 21.988 -4.327 1.00 76.38 87 A 1 ATOM 696 C CB . SER A 0 87 . 9.334 22.964 -2.036 1.00 76.38 87 A 1 ATOM 697 O O . SER A 0 87 . 9.799 22.446 -4.984 1.00 76.38 87 A 1 ATOM 698 O OG . SER A 0 87 . 9.845 21.701 -1.644 1.00 76.38 87 A 1 ATOM 699 N N . ARG A 0 88 . 8.312 20.797 -4.643 1.00 78.53 88 A 1 ATOM 700 C CA . ARG A 0 88 . 8.845 19.935 -5.711 1.00 78.53 88 A 1 ATOM 701 C C . ARG A 0 88 . 8.774 20.636 -7.069 1.00 78.53 88 A 1 ATOM 702 C CB . ARG A 0 88 . 8.140 18.568 -5.722 1.00 78.53 88 A 1 ATOM 703 O O . ARG A 0 88 . 7.730 21.103 -7.519 1.00 78.53 88 A 1 ATOM 704 C CG . ARG A 0 88 . 8.753 17.607 -6.762 1.00 78.53 88 A 1 ATOM 705 C CD . ARG A 0 88 . 8.129 16.206 -6.727 1.00 78.53 88 A 1 ATOM 706 N NE . ARG A 0 88 . 8.475 15.483 -5.490 1.00 78.53 88 A 1 ATOM 707 N NH1 . ARG A 0 88 . 10.008 13.945 -6.302 1.00 78.53 88 A 1 ATOM 708 N NH2 . ARG A 0 88 . 9.644 14.151 -4.109 1.00 78.53 88 A 1 ATOM 709 C CZ . ARG A 0 88 . 9.372 14.528 -5.322 1.00 78.53 88 A 1 ATOM 710 N N . ARG A 0 89 . 9.911 20.666 -7.768 1.00 81.37 89 A 1 ATOM 711 C CA . ARG A 0 89 . 10.023 21.268 -9.101 1.00 81.37 89 A 1 ATOM 712 C C . ARG A 0 89 . 9.170 20.498 -10.110 1.00 81.37 89 A 1 ATOM 713 C CB . ARG A 0 89 . 11.485 21.262 -9.563 1.00 81.37 89 A 1 ATOM 714 O O . ARG A 0 89 . 9.312 19.287 -10.231 1.00 81.37 89 A 1 ATOM 715 C CG . ARG A 0 89 . 12.465 22.092 -8.721 1.00 81.37 89 A 1 ATOM 716 C CD . ARG A 0 89 . 12.422 23.590 -9.044 1.00 81.37 89 A 1 ATOM 717 N NE . ARG A 0 89 . 13.527 24.298 -8.367 1.00 81.37 89 A 1 ATOM 718 N NH1 . ARG A 0 89 . 13.580 26.204 -9.658 1.00 81.37 89 A 1 ATOM 719 N NH2 . ARG A 0 89 . 15.026 25.963 -7.977 1.00 81.37 89 A 1 ATOM 720 C CZ . ARG A 0 89 . 14.037 25.479 -8.673 1.00 81.37 89 A 1 ATOM 721 N N . LEU A 0 90 . 8.401 21.221 -10.925 1.00 77.42 90 A 1 ATOM 722 C CA . LEU A 0 90 . 7.537 20.627 -11.952 1.00 77.42 90 A 1 ATOM 723 C C . LEU A 0 90 . 8.268 19.765 -12.984 1.00 77.42 90 A 1 ATOM 724 C CB . LEU A 0 90 . 6.781 21.734 -12.709 1.00 77.42 90 A 1 ATOM 725 O O . LEU A 0 90 . 7.609 18.956 -13.603 1.00 77.42 90 A 1 ATOM 726 C CG . LEU A 0 90 . 5.712 22.479 -11.896 1.00 77.42 90 A 1 ATOM 727 C CD1 . LEU A 0 90 . 5.131 23.598 -12.761 1.00 77.42 90 A 1 ATOM 728 C CD2 . LEU A 0 90 . 4.570 21.561 -11.460 1.00 77.42 90 A 1 ATOM 729 N N . HIS A 0 91 . 9.576 19.941 -13.206 1.00 75.88 91 A 1 ATOM 730 C CA . HIS A 0 91 . 10.352 19.131 -14.159 1.00 75.88 91 A 1 ATOM 731 C C . HIS A 0 91 . 10.906 17.833 -13.548 1.00 75.88 91 A 1 ATOM 732 C CB . HIS A 0 91 . 11.482 19.987 -14.748 1.00 75.88 91 A 1 ATOM 733 O O . HIS A 0 91 . 11.527 17.034 -14.249 1.00 75.88 91 A 1 ATOM 734 C CG . HIS A 0 91 . 12.527 20.374 -13.732 1.00 75.88 91 A 1 ATOM 735 C CD2 . HIS A 0 91 . 13.623 19.639 -13.378 1.00 75.88 91 A 1 ATOM 736 N ND1 . HIS A 0 91 . 12.560 21.534 -12.996 1.00 75.88 91 A 1 ATOM 737 C CE1 . HIS A 0 91 . 13.649 21.491 -12.209 1.00 75.88 91 A 1 ATOM 738 N NE2 . HIS A 0 91 . 14.317 20.347 -12.392 1.00 75.88 91 A 1 ATOM 739 N N . MET A 0 92 . 10.746 17.649 -12.237 1.00 78.33 92 A 1 ATOM 740 C CA . MET A 0 92 . 11.140 16.433 -11.542 1.00 78.33 92 A 1 ATOM 741 C C . MET A 0 92 . 9.990 15.430 -11.542 1.00 78.33 92 A 1 ATOM 742 C CB . MET A 0 92 . 11.604 16.757 -10.115 1.00 78.33 92 A 1 ATOM 743 O O . MET A 0 92 . 8.823 15.826 -11.513 1.00 78.33 92 A 1 ATOM 744 C CG . MET A 0 92 . 12.978 17.433 -10.093 1.00 78.33 92 A 1 ATOM 745 S SD . MET A 0 92 . 14.356 16.305 -10.452 1.00 78.33 92 A 1 ATOM 746 C CE . MET A 0 92 . 14.685 16.621 -12.206 1.00 78.33 92 A 1 ATOM 747 N N . PRO A 0 93 . 10.296 14.123 -11.522 1.00 78.32 93 A 1 ATOM 748 C CA . PRO A 0 93 . 9.266 13.118 -11.345 1.00 78.32 93 A 1 ATOM 749 C C . PRO A 0 93 . 8.502 13.361 -10.034 1.00 78.32 93 A 1 ATOM 750 C CB . PRO A 0 93 . 9.985 11.768 -11.385 1.00 78.32 93 A 1 ATOM 751 O O . PRO A 0 93 . 9.113 13.715 -9.016 1.00 78.32 93 A 1 ATOM 752 C CG . PRO A 0 93 . 11.415 12.109 -10.965 1.00 78.32 93 A 1 ATOM 753 C CD . PRO A 0 93 . 11.618 13.516 -11.519 1.00 78.32 93 A 1 ATOM 754 N N . PRO A 0 94 . 7.172 13.157 -10.018 1.00 76.41 94 A 1 ATOM 755 C CA . PRO A 0 94 . 6.349 13.454 -8.848 1.00 76.41 94 A 1 ATOM 756 C C . PRO A 0 94 . 6.615 12.500 -7.677 1.00 76.41 94 A 1 ATOM 757 C CB . PRO A 0 94 . 4.900 13.398 -9.340 1.00 76.41 94 A 1 ATOM 758 O O . PRO A 0 94 . 6.188 12.774 -6.560 1.00 76.41 94 A 1 ATOM 759 C CG . PRO A 0 94 . 4.965 12.435 -10.512 1.00 76.41 94 A 1 ATOM 760 C CD . PRO A 0 94 . 6.337 12.720 -11.122 1.00 76.41 94 A 1 ATOM 761 N N . ARG A 0 95 . 7.343 11.398 -7.903 1.00 81.42 95 A 1 ATOM 762 C CA . ARG A 0 95 . 7.798 10.466 -6.868 1.00 81.42 95 A 1 ATOM 763 C C . ARG A 0 95 . 9.292 10.196 -7.008 1.00 81.42 95 A 1 ATOM 764 C CB . ARG A 0 95 . 6.985 9.162 -6.922 1.00 81.42 95 A 1 ATOM 765 O O . ARG A 0 95 . 9.850 10.311 -8.098 1.00 81.42 95 A 1 ATOM 766 C CG . ARG A 0 95 . 5.483 9.400 -6.702 1.00 81.42 95 A 1 ATOM 767 C CD . ARG A 0 95 . 4.736 8.071 -6.546 1.00 81.42 95 A 1 ATOM 768 N NE . ARG A 0 95 . 3.274 8.263 -6.496 1.00 81.42 95 A 1 ATOM 769 N NH1 . ARG A 0 95 . 3.022 8.714 -4.251 1.00 81.42 95 A 1 ATOM 770 N NH2 . ARG A 0 95 . 1.219 8.512 -5.555 1.00 81.42 95 A 1 ATOM 771 C CZ . ARG A 0 95 . 2.517 8.501 -5.437 1.00 81.42 95 A 1 ATOM 772 N N . ASN A 0 96 . 9.927 9.815 -5.904 1.00 83.78 96 A 1 ATOM 773 C CA . ASN A 0 96 . 11.298 9.316 -5.918 1.00 83.78 96 A 1 ATOM 774 C C . ASN A 0 96 . 11.393 7.955 -6.630 1.00 83.78 96 A 1 ATOM 775 C CB . ASN A 0 96 . 11.847 9.312 -4.481 1.00 83.78 96 A 1 ATOM 776 O O . ASN A 0 96 . 10.384 7.353 -7.002 1.00 83.78 96 A 1 ATOM 777 C CG . ASN A 0 96 . 11.240 8.290 -3.533 1.00 83.78 96 A 1 ATOM 778 N ND2 . ASN A 0 96 . 11.633 8.325 -2.285 1.00 83.78 96 A 1 ATOM 779 O OD1 . ASN A 0 96 . 10.435 7.454 -3.911 1.00 83.78 96 A 1 ATOM 780 N N . ILE A 0 97 . 12.612 7.450 -6.822 1.00 86.24 97 A 1 ATOM 781 C CA . ILE A 0 97 . 12.836 6.218 -7.590 1.00 86.24 97 A 1 ATOM 782 C C . ILE A 0 97 . 12.123 4.997 -6.989 1.00 86.24 97 A 1 ATOM 783 C CB . ILE A 0 97 . 14.352 5.982 -7.757 1.00 86.24 97 A 1 ATOM 784 O O . ILE A 0 97 . 11.630 4.148 -7.731 1.00 86.24 97 A 1 ATOM 785 C CG1 . ILE A 0 97 . 14.681 4.901 -8.801 1.00 86.24 97 A 1 ATOM 786 C CG2 . ILE A 0 97 . 15.041 5.609 -6.430 1.00 86.24 97 A 1 ATOM 787 C CD1 . ILE A 0 97 . 14.240 5.244 -10.226 1.00 86.24 97 A 1 ATOM 788 N N . VAL A 0 98 . 12.025 4.932 -5.656 1.00 88.80 98 A 1 ATOM 789 C CA . VAL A 0 98 . 11.283 3.885 -4.943 1.00 88.80 98 A 1 ATOM 790 C C . VAL A 0 98 . 9.795 4.021 -5.237 1.00 88.80 98 A 1 ATOM 791 C CB . VAL A 0 98 . 11.566 3.920 -3.427 1.00 88.80 98 A 1 ATOM 792 O O . VAL A 0 98 . 9.188 3.064 -5.699 1.00 88.80 98 A 1 ATOM 793 C CG1 . VAL A 0 98 . 10.691 2.920 -2.660 1.00 88.80 98 A 1 ATOM 794 C CG2 . VAL A 0 98 . 13.038 3.575 -3.164 1.00 88.80 98 A 1 ATOM 795 N N . GLY A 0 99 . 9.216 5.210 -5.086 1.00 88.36 99 A 1 ATOM 796 C CA . GLY A 0 99 . 7.809 5.448 -5.391 1.00 88.36 99 A 1 ATOM 797 C C . GLY A 0 99 . 7.452 5.191 -6.849 1.00 88.36 99 A 1 ATOM 798 O O . GLY A 0 99 . 6.429 4.568 -7.114 1.00 88.36 99 A 1 ATOM 799 N N . MET A 0 100 . 8.321 5.565 -7.791 1.00 86.41 100 A 1 ATOM 800 C CA . MET A 0 100 . 8.159 5.212 -9.205 1.00 86.41 100 A 1 ATOM 801 C C . MET A 0 100 . 8.190 3.695 -9.417 1.00 86.41 100 A 1 ATOM 802 C CB . MET A 0 100 . 9.276 5.844 -10.045 1.00 86.41 100 A 1 ATOM 803 O O . MET A 0 100 . 7.428 3.163 -10.222 1.00 86.41 100 A 1 ATOM 804 C CG . MET A 0 100 . 9.192 7.366 -10.152 1.00 86.41 100 A 1 ATOM 805 S SD . MET A 0 100 . 10.517 8.107 -11.150 1.00 86.41 100 A 1 ATOM 806 C CE . MET A 0 100 . 10.156 7.403 -12.781 1.00 86.41 100 A 1 ATOM 807 N N . PHE A 0 101 . 9.066 2.978 -8.712 1.00 89.08 101 A 1 ATOM 808 C CA . PHE A 0 101 . 9.113 1.521 -8.781 1.00 89.08 101 A 1 ATOM 809 C C . PHE A 0 101 . 7.850 0.880 -8.199 1.00 89.08 101 A 1 ATOM 810 C CB . PHE A 0 101 . 10.364 1.009 -8.068 1.00 89.08 101 A 1 ATOM 811 O O . PHE A 0 101 . 7.314 -0.045 -8.805 1.00 89.08 101 A 1 ATOM 812 C CG . PHE A 0 101 . 10.425 -0.500 -7.987 1.00 89.08 101 A 1 ATOM 813 C CD1 . PHE A 0 101 . 10.123 -1.158 -6.783 1.00 89.08 101 A 1 ATOM 814 C CD2 . PHE A 0 101 . 10.804 -1.247 -9.114 1.00 89.08 101 A 1 ATOM 815 C CE1 . PHE A 0 101 . 10.263 -2.552 -6.695 1.00 89.08 101 A 1 ATOM 816 C CE2 . PHE A 0 101 . 10.978 -2.637 -9.020 1.00 89.08 101 A 1 ATOM 817 C CZ . PHE A 0 101 . 10.744 -3.283 -7.794 1.00 89.08 101 A 1 ATOM 818 N N . LEU A 0 102 . 7.354 1.368 -7.059 1.00 89.49 102 A 1 ATOM 819 C CA . LEU A 0 102 . 6.127 0.864 -6.439 1.00 89.49 102 A 1 ATOM 820 C C . LEU A 0 102 . 4.908 1.121 -7.327 1.00 89.49 102 A 1 ATOM 821 C CB . LEU A 0 102 . 5.947 1.461 -5.030 1.00 89.49 102 A 1 ATOM 822 O O . LEU A 0 102 . 4.133 0.200 -7.567 1.00 89.49 102 A 1 ATOM 823 C CG . LEU A 0 102 . 7.048 1.095 -4.019 1.00 89.49 102 A 1 ATOM 824 C CD1 . LEU A 0 102 . 6.704 1.634 -2.633 1.00 89.49 102 A 1 ATOM 825 C CD2 . LEU A 0 102 . 7.293 -0.406 -3.907 1.00 89.49 102 A 1 ATOM 826 N N . GLU A 0 103 . 4.806 2.308 -7.920 1.00 85.99 103 A 1 ATOM 827 C CA . GLU A 0 103 . 3.789 2.619 -8.930 1.00 85.99 103 A 1 ATOM 828 C C . GLU A 0 103 . 3.904 1.686 -10.145 1.00 85.99 103 A 1 ATOM 829 C CB . GLU A 0 103 . 3.953 4.091 -9.333 1.00 85.99 103 A 1 ATOM 830 O O . GLU A 0 103 . 2.915 1.150 -10.629 1.00 85.99 103 A 1 ATOM 831 C CG . GLU A 0 103 . 2.873 4.594 -10.305 1.00 85.99 103 A 1 ATOM 832 C CD . GLU A 0 103 . 3.085 6.065 -10.707 1.00 85.99 103 A 1 ATOM 833 O OE1 . GLU A 0 103 . 2.420 6.517 -11.667 1.00 85.99 103 A 1 ATOM 834 O OE2 . GLU A 0 103 . 3.944 6.740 -10.093 1.00 85.99 103 A 1 ATOM 835 N N . ALA A 0 104 . 5.117 1.384 -10.613 1.00 87.22 104 A 1 ATOM 836 C CA . ALA A 0 104 . 5.288 0.398 -11.675 1.00 87.22 104 A 1 ATOM 837 C C . ALA A 0 104 . 4.849 -1.017 -11.248 1.00 87.22 104 A 1 ATOM 838 C CB . ALA A 0 104 . 6.742 0.420 -12.151 1.00 87.22 104 A 1 ATOM 839 O O . ALA A 0 104 . 4.412 -1.795 -12.096 1.00 87.22 104 A 1 ATOM 840 N N . LYS A 0 105 . 4.973 -1.370 -9.961 1.00 86.55 105 A 1 ATOM 841 C CA . LYS A 0 105 . 4.604 -2.682 -9.403 1.00 86.55 105 A 1 ATOM 842 C C . LYS A 0 105 . 3.114 -2.854 -9.137 1.00 86.55 105 A 1 ATOM 843 C CB . LYS A 0 105 . 5.380 -2.937 -8.097 1.00 86.55 105 A 1 ATOM 844 O O . LYS A 0 105 . 2.678 -4.013 -9.106 1.00 86.55 105 A 1 ATOM 845 C CG . LYS A 0 105 . 6.856 -3.271 -8.316 1.00 86.55 105 A 1 ATOM 846 C CD . LYS A 0 105 . 7.029 -4.661 -8.931 1.00 86.55 105 A 1 ATOM 847 C CE . LYS A 0 105 . 8.517 -4.890 -9.146 1.00 86.55 105 A 1 ATOM 848 N NZ . LYS A 0 105 . 8.782 -6.142 -9.879 1.00 86.55 105 A 1 ATOM 849 N N . SER A 0 106 . 2.360 -1.771 -8.954 1.00 83.47 106 A 1 ATOM 850 C CA . SER A 0 106 . 0.905 -1.846 -8.803 1.00 83.47 106 A 1 ATOM 851 C C . SER A 0 106 . 0.212 -2.230 -10.115 1.00 83.47 106 A 1 ATOM 852 C CB . SER A 0 106 . 0.333 -0.545 -8.239 1.00 83.47 106 A 1 ATOM 853 O O . SER A 0 106 . -0.757 -2.982 -10.096 1.00 83.47 106 A 1 ATOM 854 O OG . SER A 0 106 . 0.538 0.540 -9.111 1.00 83.47 106 A 1 ATOM 855 N N . TYR A 0 107 . 0.763 -1.834 -11.267 1.00 81.23 107 A 1 ATOM 856 C CA . TYR A 0 107 . 0.236 -2.193 -12.590 1.00 81.23 107 A 1 ATOM 857 C C . TYR A 0 107 . 0.801 -3.519 -13.124 1.00 81.23 107 A 1 ATOM 858 C CB . TYR A 0 107 . 0.472 -1.035 -13.566 1.00 81.23 107 A 1 ATOM 859 O O . TYR A 0 107 . 1.712 -3.539 -13.959 1.00 81.23 107 A 1 ATOM 860 C CG . TYR A 0 107 . -0.400 0.166 -13.281 1.00 81.23 107 A 1 ATOM 861 C CD1 . TYR A 0 107 . -1.747 0.164 -13.692 1.00 81.23 107 A 1 ATOM 862 C CD2 . TYR A 0 107 . 0.125 1.274 -12.592 1.00 81.23 107 A 1 ATOM 863 C CE1 . TYR A 0 107 . -2.565 1.275 -13.415 1.00 81.23 107 A 1 ATOM 864 C CE2 . TYR A 0 107 . -0.690 2.385 -12.311 1.00 81.23 107 A 1 ATOM 865 O OH . TYR A 0 107 . -2.840 3.442 -12.446 1.00 81.23 107 A 1 ATOM 866 C CZ . TYR A 0 107 . -2.039 2.384 -12.723 1.00 81.23 107 A 1 ATOM 867 N N . THR A 0 108 . 0.222 -4.643 -12.700 1.00 76.36 108 A 1 ATOM 868 C CA . THR A 0 108 . 0.701 -6.020 -12.962 1.00 76.36 108 A 1 ATOM 869 C C . THR A 0 108 . 0.827 -6.444 -14.439 1.00 76.36 108 A 1 ATOM 870 C CB . THR A 0 108 . -0.158 -7.040 -12.186 1.00 76.36 108 A 1 ATOM 871 O O . THR A 0 108 . 1.485 -7.442 -14.724 1.00 76.36 108 A 1 ATOM 872 C CG2 . THR A 0 108 . 0.221 -7.074 -10.704 1.00 76.36 108 A 1 ATOM 873 O OG1 . THR A 0 108 . -1.518 -6.683 -12.261 1.00 76.36 108 A 1 ATOM 874 N N . GLY A 0 109 . 0.305 -5.684 -15.408 1.00 79.07 109 A 1 ATOM 875 C CA . GLY A 0 109 . 0.475 -5.960 -16.848 1.00 79.07 109 A 1 ATOM 876 C C . GLY A 0 109 . 1.712 -5.323 -17.505 1.00 79.07 109 A 1 ATOM 877 O O . GLY A 0 109 . 2.194 -5.785 -18.546 1.00 79.07 109 A 1 ATOM 878 N N . SER A 0 110 . 2.275 -4.269 -16.906 1.00 80.63 110 A 1 ATOM 879 C CA . SER A 0 110 . 3.318 -3.452 -17.542 1.00 80.63 110 A 1 ATOM 880 C C . SER A 0 110 . 4.662 -4.183 -17.645 1.00 80.63 110 A 1 ATOM 881 C CB . SER A 0 110 . 3.471 -2.135 -16.776 1.00 80.63 110 A 1 ATOM 882 O O . SER A 0 110 . 5.050 -4.919 -16.737 1.00 80.63 110 A 1 ATOM 883 O OG . SER A 0 110 . 4.544 -1.368 -17.300 1.00 80.63 110 A 1 ATOM 884 N N . LYS A 0 111 . 5.446 -3.920 -18.706 1.00 85.00 111 A 1 ATOM 885 C CA . LYS A 0 111 . 6.852 -4.376 -18.797 1.00 85.00 111 A 1 ATOM 886 C C . LYS A 0 111 . 7.674 -3.924 -17.584 1.00 85.00 111 A 1 ATOM 887 C CB . LYS A 0 111 . 7.527 -3.872 -20.089 1.00 85.00 111 A 1 ATOM 888 O O . LYS A 0 111 . 8.520 -4.681 -17.119 1.00 85.00 111 A 1 ATOM 889 C CG . LYS A 0 111 . 7.094 -4.642 -21.347 1.00 85.00 111 A 1 ATOM 890 C CD . LYS A 0 111 . 7.819 -4.136 -22.607 1.00 85.00 111 A 1 ATOM 891 C CE . LYS A 0 111 . 7.347 -4.915 -23.846 1.00 85.00 111 A 1 ATOM 892 N NZ . LYS A 0 111 . 8.015 -4.461 -25.096 1.00 85.00 111 A 1 ATOM 893 N N . LEU A 0 112 . 7.401 -2.724 -17.064 1.00 84.53 112 A 1 ATOM 894 C CA . LEU A 0 112 . 8.103 -2.166 -15.906 1.00 84.53 112 A 1 ATOM 895 C C . LEU A 0 112 . 7.789 -2.932 -14.616 1.00 84.53 112 A 1 ATOM 896 C CB . LEU A 0 112 . 7.754 -0.677 -15.754 1.00 84.53 112 A 1 ATOM 897 O O . LEU A 0 112 . 8.693 -3.165 -13.820 1.00 84.53 112 A 1 ATOM 898 C CG . LEU A 0 112 . 8.230 0.218 -16.911 1.00 84.53 112 A 1 ATOM 899 C CD1 . LEU A 0 112 . 7.670 1.620 -16.718 1.00 84.53 112 A 1 ATOM 900 C CD2 . LEU A 0 112 . 9.757 0.307 -16.976 1.00 84.53 112 A 1 ATOM 901 N N . SER A 0 113 . 6.551 -3.412 -14.456 1.00 84.66 113 A 1 ATOM 902 C CA . SER A 0 113 . 6.136 -4.199 -13.284 1.00 84.66 113 A 1 ATOM 903 C C . SER A 0 113 . 6.923 -5.504 -13.132 1.00 84.66 113 A 1 ATOM 904 C CB . SER A 0 113 . 4.640 -4.519 -13.364 1.00 84.66 113 A 1 ATOM 905 O O . SER A 0 113 . 7.102 -6.005 -12.023 1.00 84.66 113 A 1 ATOM 906 O OG . SER A 0 113 . 4.395 -5.602 -14.241 1.00 84.66 113 A 1 ATOM 907 N N . ARG A 0 114 . 7.453 -6.046 -14.236 1.00 86.82 114 A 1 ATOM 908 C CA . ARG A 0 114 . 8.236 -7.290 -14.252 1.00 86.82 114 A 1 ATOM 909 C C . ARG A 0 114 . 9.712 -7.084 -13.928 1.00 86.82 114 A 1 ATOM 910 C CB . ARG A 0 114 . 8.058 -7.999 -15.601 1.00 86.82 114 A 1 ATOM 911 O O . ARG A 0 114 . 10.420 -8.057 -13.687 1.00 86.82 114 A 1 ATOM 912 C CG . ARG A 0 114 . 6.602 -8.442 -15.806 1.00 86.82 114 A 1 ATOM 913 C CD . ARG A 0 114 . 6.457 -9.389 -17.003 1.00 86.82 114 A 1 ATOM 914 N NE . ARG A 0 114 . 6.650 -8.715 -18.304 1.00 86.82 114 A 1 ATOM 915 N NH1 . ARG A 0 114 . 4.525 -7.843 -18.501 1.00 86.82 114 A 1 ATOM 916 N NH2 . ARG A 0 114 . 5.933 -7.719 -20.218 1.00 86.82 114 A 1 ATOM 917 C CZ . ARG A 0 114 . 5.706 -8.092 -18.992 1.00 86.82 114 A 1 ATOM 918 N N . LEU A 0 115 . 10.192 -5.843 -13.907 1.00 88.54 115 A 1 ATOM 919 C CA . LEU A 0 115 . 11.595 -5.564 -13.624 1.00 88.54 115 A 1 ATOM 920 C C . LEU A 0 115 . 11.904 -5.771 -12.139 1.00 88.54 115 A 1 ATOM 921 C CB . LEU A 0 115 . 11.977 -4.155 -14.108 1.00 88.54 115 A 1 ATOM 922 O O . LEU A 0 115 . 11.083 -5.496 -11.260 1.00 88.54 115 A 1 ATOM 923 C CG . LEU A 0 115 . 11.767 -3.925 -15.616 1.00 88.54 115 A 1 ATOM 924 C CD1 . LEU A 0 115 . 12.218 -2.514 -15.986 1.00 88.54 115 A 1 ATOM 925 C CD2 . LEU A 0 115 . 12.541 -4.917 -16.490 1.00 88.54 115 A 1 ATOM 926 N N . THR A 0 116 . 13.111 -6.249 -11.853 1.00 90.75 116 A 1 ATOM 927 C CA . THR A 0 116 . 13.673 -6.184 -10.501 1.00 90.75 116 A 1 ATOM 928 C C . THR A 0 116 . 14.025 -4.737 -10.169 1.00 90.75 116 A 1 ATOM 929 C CB . THR A 0 116 . 14.906 -7.087 -10.355 1.00 90.75 116 A 1 ATOM 930 O O . THR A 0 116 . 14.222 -3.937 -11.083 1.00 90.75 116 A 1 ATOM 931 C CG2 . THR A 0 116 . 14.626 -8.525 -10.795 1.00 90.75 116 A 1 ATOM 932 O OG1 . THR A 0 116 . 15.965 -6.618 -11.160 1.00 90.75 116 A 1 ATOM 933 N N . PHE A 0 117 . 14.132 -4.383 -8.887 1.00 90.25 117 A 1 ATOM 934 C CA . PHE A 0 117 . 14.475 -3.009 -8.508 1.00 90.25 117 A 1 ATOM 935 C C . PHE A 0 117 . 15.794 -2.522 -9.138 1.00 90.25 117 A 1 ATOM 936 C CB . PHE A 0 117 . 14.436 -2.852 -6.987 1.00 90.25 117 A 1 ATOM 937 O O . PHE A 0 117 . 15.763 -1.486 -9.803 1.00 90.25 117 A 1 ATOM 938 C CG . PHE A 0 117 . 14.746 -1.446 -6.523 1.00 90.25 117 A 1 ATOM 939 C CD1 . PHE A 0 117 . 15.974 -1.139 -5.908 1.00 90.25 117 A 1 ATOM 940 C CD2 . PHE A 0 117 . 13.796 -0.431 -6.724 1.00 90.25 117 A 1 ATOM 941 C CE1 . PHE A 0 117 . 16.233 0.173 -5.475 1.00 90.25 117 A 1 ATOM 942 C CE2 . PHE A 0 117 . 14.054 0.882 -6.297 1.00 90.25 117 A 1 ATOM 943 C CZ . PHE A 0 117 . 15.272 1.182 -5.665 1.00 90.25 117 A 1 ATOM 944 N N . PRO A 0 118 . 16.911 -3.284 -9.103 1.00 90.22 118 A 1 ATOM 945 C CA . PRO A 0 118 . 18.144 -2.859 -9.772 1.00 90.22 118 A 1 ATOM 946 C C . PRO A 0 118 . 17.967 -2.647 -11.280 1.00 90.22 118 A 1 ATOM 947 C CB . PRO A 0 118 . 19.171 -3.962 -9.489 1.00 90.22 118 A 1 ATOM 948 O O . PRO A 0 118 . 18.513 -1.703 -11.852 1.00 90.22 118 A 1 ATOM 949 C CG . PRO A 0 118 . 18.665 -4.603 -8.200 1.00 90.22 118 A 1 ATOM 950 C CD . PRO A 0 118 . 17.152 -4.514 -8.357 1.00 90.22 118 A 1 ATOM 951 N N . ARG A 0 119 . 17.170 -3.500 -11.941 1.00 90.78 119 A 1 ATOM 952 C CA . ARG A 0 119 . 16.916 -3.371 -13.379 1.00 90.78 119 A 1 ATOM 953 C C . ARG A 0 119 . 16.005 -2.191 -13.696 1.00 90.78 119 A 1 ATOM 954 C CB . ARG A 0 119 . 16.364 -4.691 -13.939 1.00 90.78 119 A 1 ATOM 955 O O . ARG A 0 119 . 16.210 -1.542 -14.714 1.00 90.78 119 A 1 ATOM 956 C CG . ARG A 0 119 . 16.345 -4.738 -15.477 1.00 90.78 119 A 1 ATOM 957 C CD . ARG A 0 119 . 17.752 -4.577 -16.067 1.00 90.78 119 A 1 ATOM 958 N NE . ARG A 0 119 . 17.781 -4.819 -17.519 1.00 90.78 119 A 1 ATOM 959 N NH1 . ARG A 0 119 . 20.056 -4.610 -17.770 1.00 90.78 119 A 1 ATOM 960 N NH2 . ARG A 0 119 . 18.788 -5.025 -19.554 1.00 90.78 119 A 1 ATOM 961 C CZ . ARG A 0 119 . 18.869 -4.816 -18.270 1.00 90.78 119 A 1 ATOM 962 N N . PHE A 0 120 . 15.033 -1.903 -12.836 1.00 90.46 120 A 1 ATOM 963 C CA . PHE A 0 120 . 14.193 -0.719 -12.950 1.00 90.46 120 A 1 ATOM 964 C C . PHE A 0 120 . 15.043 0.548 -12.864 1.00 90.46 120 A 1 ATOM 965 C CB . PHE A 0 120 . 13.106 -0.750 -11.878 1.00 90.46 120 A 1 ATOM 966 O O . PHE A 0 120 . 15.036 1.321 -13.814 1.00 90.46 120 A 1 ATOM 967 C CG . PHE A 0 120 . 12.202 0.460 -11.928 1.00 90.46 120 A 1 ATOM 968 C CD1 . PHE A 0 120 . 12.487 1.587 -11.134 1.00 90.46 120 A 1 ATOM 969 C CD2 . PHE A 0 120 . 11.052 0.441 -12.740 1.00 90.46 120 A 1 ATOM 970 C CE1 . PHE A 0 120 . 11.611 2.683 -11.135 1.00 90.46 120 A 1 ATOM 971 C CE2 . PHE A 0 120 . 10.184 1.545 -12.748 1.00 90.46 120 A 1 ATOM 972 C CZ . PHE A 0 120 . 10.459 2.656 -11.936 1.00 90.46 120 A 1 ATOM 973 N N . VAL A 0 121 . 15.858 0.687 -11.811 1.00 89.47 121 A 1 ATOM 974 C CA . VAL A 0 121 . 16.775 1.826 -11.633 1.00 89.47 121 A 1 ATOM 975 C C . VAL A 0 121 . 17.685 1.985 -12.849 1.00 89.47 121 A 1 ATOM 976 C CB . VAL A 0 121 . 17.622 1.658 -10.354 1.00 89.47 121 A 1 ATOM 977 O O . VAL A 0 121 . 17.790 3.074 -13.403 1.00 89.47 121 A 1 ATOM 978 C CG1 . VAL A 0 121 . 18.650 2.787 -10.194 1.00 89.47 121 A 1 ATOM 979 C CG2 . VAL A 0 121 . 16.750 1.653 -9.094 1.00 89.47 121 A 1 ATOM 980 N N . TYR A 0 122 . 18.303 0.897 -13.317 1.00 89.70 122 A 1 ATOM 981 C CA . TYR A 0 122 . 19.161 0.937 -14.501 1.00 89.70 122 A 1 ATOM 982 C C . TYR A 0 122 . 18.417 1.420 -15.754 1.00 89.70 122 A 1 ATOM 983 C CB . TYR A 0 122 . 19.762 -0.451 -14.738 1.00 89.70 122 A 1 ATOM 984 O O . TYR A 0 122 . 18.949 2.229 -16.513 1.00 89.70 122 A 1 ATOM 985 C CG . TYR A 0 122 . 20.684 -0.496 -15.940 1.00 89.70 122 A 1 ATOM 986 C CD1 . TYR A 0 122 . 20.181 -0.864 -17.203 1.00 89.70 122 A 1 ATOM 987 C CD2 . TYR A 0 122 . 22.035 -0.123 -15.801 1.00 89.70 122 A 1 ATOM 988 C CE1 . TYR A 0 122 . 21.029 -0.861 -18.326 1.00 89.70 122 A 1 ATOM 989 C CE2 . TYR A 0 122 . 22.890 -0.132 -16.920 1.00 89.70 122 A 1 ATOM 990 O OH . TYR A 0 122 . 23.196 -0.525 -19.272 1.00 89.70 122 A 1 ATOM 991 C CZ . TYR A 0 122 . 22.384 -0.501 -18.185 1.00 89.70 122 A 1 ATOM 992 N N . ASN A 0 123 . 17.188 0.945 -15.966 1.00 86.54 123 A 1 ATOM 993 C CA . ASN A 0 123 . 16.382 1.301 -17.128 1.00 86.54 123 A 1 ATOM 994 C C . ASN A 0 123 . 15.858 2.744 -17.071 1.00 86.54 123 A 1 ATOM 995 C CB . ASN A 0 123 . 15.209 0.315 -17.251 1.00 86.54 123 A 1 ATOM 996 O O . ASN A 0 123 . 15.669 3.353 -18.121 1.00 86.54 123 A 1 ATOM 997 C CG . ASN A 0 123 . 15.578 -1.051 -17.805 1.00 86.54 123 A 1 ATOM 998 N ND2 . ASN A 0 123 . 14.612 -1.722 -18.389 1.00 86.54 123 A 1 ATOM 999 O OD1 . ASN A 0 123 . 16.693 -1.548 -17.765 1.00 86.54 123 A 1 ATOM 1000 N N . THR A 0 124 . 15.604 3.288 -15.879 1.00 84.30 124 A 1 ATOM 1001 C CA . THR A 0 124 . 15.020 4.626 -15.711 1.00 84.30 124 A 1 ATOM 1002 C C . THR A 0 124 . 16.042 5.710 -15.379 1.00 84.30 124 A 1 ATOM 1003 C CB . THR A 0 124 . 13.890 4.628 -14.673 1.00 84.30 124 A 1 ATOM 1004 O O . THR A 0 124 . 15.688 6.882 -15.441 1.00 84.30 124 A 1 ATOM 1005 C CG2 . THR A 0 124 . 12.753 3.672 -15.042 1.00 84.30 124 A 1 ATOM 1006 O OG1 . THR A 0 124 . 14.393 4.244 -13.421 1.00 84.30 124 A 1 ATOM 1007 N N . ARG A 0 125 . 17.309 5.373 -15.087 1.00 81.74 125 A 1 ATOM 1008 C CA . ARG A 0 125 . 18.347 6.346 -14.674 1.00 81.74 125 A 1 ATOM 1009 C C . ARG A 0 125 . 18.556 7.516 -15.641 1.00 81.74 125 A 1 ATOM 1010 C CB . ARG A 0 125 . 19.688 5.631 -14.421 1.00 81.74 125 A 1 ATOM 1011 O O . ARG A 0 125 . 18.963 8.587 -15.217 1.00 81.74 125 A 1 ATOM 1012 C CG . ARG A 0 125 . 20.389 5.179 -15.713 1.00 81.74 125 A 1 ATOM 1013 C CD . ARG A 0 125 . 21.619 4.320 -15.427 1.00 81.74 125 A 1 ATOM 1014 N NE . ARG A 0 125 . 22.275 3.918 -16.685 1.00 81.74 125 A 1 ATOM 1015 N NH1 . ARG A 0 125 . 24.340 3.414 -15.818 1.00 81.74 125 A 1 ATOM 1016 N NH2 . ARG A 0 125 . 23.993 3.242 -18.017 1.00 81.74 125 A 1 ATOM 1017 C CZ . ARG A 0 125 . 23.527 3.525 -16.833 1.00 81.74 125 A 1 ATOM 1018 N N . SER A 0 126 . 18.320 7.294 -16.933 1.00 77.58 126 A 1 ATOM 1019 C CA . SER A 0 126 . 18.499 8.294 -17.998 1.00 77.58 126 A 1 ATOM 1020 C C . SER A 0 126 . 17.174 8.718 -18.627 1.00 77.58 126 A 1 ATOM 1021 C CB . SER A 0 126 . 19.448 7.765 -19.080 1.00 77.58 126 A 1 ATOM 1022 O O . SER A 0 126 . 17.169 9.406 -19.645 1.00 77.58 126 A 1 ATOM 1023 O OG . SER A 0 126 . 20.667 7.320 -18.512 1.00 77.58 126 A 1 ATOM 1024 N N . ALA A 0 127 . 16.045 8.272 -18.072 1.00 76.42 127 A 1 ATOM 1025 C CA . ALA A 0 127 . 14.743 8.640 -18.590 1.00 76.42 127 A 1 ATOM 1026 C C . ALA A 0 127 . 14.488 10.119 -18.288 1.00 76.42 127 A 1 ATOM 1027 C CB . ALA A 0 127 . 13.673 7.716 -17.997 1.00 76.42 127 A 1 ATOM 1028 O O . ALA A 0 127 . 14.443 10.527 -17.128 1.00 76.42 127 A 1 ATOM 1029 N N . ILE A 0 128 . 14.302 10.918 -19.339 1.00 74.87 128 A 1 ATOM 1030 C CA . ILE A 0 128 . 13.799 12.280 -19.187 1.00 74.87 128 A 1 ATOM 1031 C C . ILE A 0 128 . 12.349 12.154 -18.739 1.00 74.87 128 A 1 ATOM 1032 C CB . ILE A 0 128 . 13.950 13.099 -20.487 1.00 74.87 128 A 1 ATOM 1033 O O . ILE A 0 128 . 11.514 11.611 -19.468 1.00 74.87 128 A 1 ATOM 1034 C CG1 . ILE A 0 128 . 15.446 13.209 -20.861 1.00 74.87 128 A 1 ATOM 1035 C CG2 . ILE A 0 128 . 13.322 14.496 -20.312 1.00 74.87 128 A 1 ATOM 1036 C CD1 . ILE A 0 128 . 15.707 13.882 -22.213 1.00 74.87 128 A 1 ATOM 1037 N N . TRP A 0 129 . 12.063 12.626 -17.528 1.00 73.77 129 A 1 ATOM 1038 C CA . TRP A 0 129 . 10.694 12.683 -17.052 1.00 73.77 129 A 1 ATOM 1039 C C . TRP A 0 129 . 9.894 13.628 -17.952 1.00 73.77 129 A 1 ATOM 1040 C CB . TRP A 0 129 . 10.644 13.086 -15.579 1.00 73.77 129 A 1 ATOM 1041 O O . TRP A 0 129 . 10.290 14.767 -18.198 1.00 73.77 129 A 1 ATOM 1042 C CG . TRP A 0 129 . 9.250 13.214 -15.059 1.00 73.77 129 A 1 ATOM 1043 C CD1 . TRP A 0 129 . 8.452 12.208 -14.636 1.00 73.77 129 A 1 ATOM 1044 C CD2 . TRP A 0 129 . 8.437 14.418 -14.995 1.00 73.77 129 A 1 ATOM 1045 C CE2 . TRP A 0 129 . 7.165 14.083 -14.448 1.00 73.77 129 A 1 ATOM 1046 C CE3 . TRP A 0 129 . 8.640 15.748 -15.398 1.00 73.77 129 A 1 ATOM 1047 N NE1 . TRP A 0 129 . 7.219 12.719 -14.277 1.00 73.77 129 A 1 ATOM 1048 C CH2 . TRP A 0 129 . 6.411 16.363 -14.605 1.00 73.77 129 A 1 ATOM 1049 C CZ2 . TRP A 0 129 . 6.166 15.037 -14.218 1.00 73.77 129 A 1 ATOM 1050 C CZ3 . TRP A 0 129 . 7.622 16.696 -15.237 1.00 73.77 129 A 1 ATOM 1051 N N . GLN A 0 130 . 8.777 13.125 -18.464 1.00 71.54 130 A 1 ATOM 1052 C CA . GLN A 0 130 . 7.794 13.914 -19.187 1.00 71.54 130 A 1 ATOM 1053 C C . GLN A 0 130 . 6.449 13.658 -18.520 1.00 71.54 130 A 1 ATOM 1054 C CB . GLN A 0 130 . 7.754 13.537 -20.674 1.00 71.54 130 A 1 ATOM 1055 O O . GLN A 0 130 . 6.062 12.488 -18.408 1.00 71.54 130 A 1 ATOM 1056 C CG . GLN A 0 130 . 9.048 13.927 -21.402 1.00 71.54 130 A 1 ATOM 1057 C CD . GLN A 0 130 . 8.992 13.670 -22.905 1.00 71.54 130 A 1 ATOM 1058 N NE2 . GLN A 0 130 . 10.097 13.847 -23.596 1.00 71.54 130 A 1 ATOM 1059 O OE1 . GLN A 0 130 . 7.981 13.308 -23.490 1.00 71.54 130 A 1 ATOM 1060 N N . PRO A 0 131 . 5.735 14.707 -18.080 1.00 65.49 131 A 1 ATOM 1061 C CA . PRO A 0 131 . 4.409 14.518 -17.537 1.00 65.49 131 A 1 ATOM 1062 C C . PRO A 0 131 . 3.548 13.892 -18.626 1.00 65.49 131 A 1 ATOM 1063 C CB . PRO A 0 131 . 3.909 15.892 -17.094 1.00 65.49 131 A 1 ATOM 1064 O O . PRO A 0 131 . 3.590 14.275 -19.803 1.00 65.49 131 A 1 ATOM 1065 C CG . PRO A 0 131 . 4.727 16.868 -17.938 1.00 65.49 131 A 1 ATOM 1066 C CD . PRO A 0 131 . 6.019 16.121 -18.270 1.00 65.49 131 A 1 ATOM 1067 N N . SER A 0 132 . 2.778 12.886 -18.242 1.00 63.10 132 A 1 ATOM 1068 C CA . SER A 0 132 . 1.716 12.419 -19.103 1.00 63.10 132 A 1 ATOM 1069 C C . SER A 0 132 . 0.760 13.604 -19.316 1.00 63.10 132 A 1 ATOM 1070 C CB . SER A 0 132 . 1.110 11.158 -18.477 1.00 63.10 132 A 1 ATOM 1071 O O . SER A 0 132 . 0.474 14.358 -18.391 1.00 63.10 132 A 1 ATOM 1072 O OG . SER A 0 132 . 0.577 11.432 -17.202 1.00 63.10 132 A 1 ATOM 1073 N N . LEU A 0 133 . 0.287 13.823 -20.548 1.00 65.92 133 A 1 ATOM 1074 C CA . LEU A 0 133 . -0.698 14.879 -20.846 1.00 65.92 133 A 1 ATOM 1075 C C . LEU A 0 133 . -2.100 14.491 -20.322 1.00 65.92 133 A 1 ATOM 1076 C CB . LEU A 0 133 . -0.697 15.202 -22.356 1.00 65.92 133 A 1 ATOM 1077 O O . LEU A 0 133 . -3.112 14.838 -20.919 1.00 65.92 133 A 1 ATOM 1078 C CG . LEU A 0 133 . 0.618 15.774 -22.915 1.00 65.92 133 A 1 ATOM 1079 C CD1 . LEU A 0 133 . 0.569 15.768 -24.445 1.00 65.92 133 A 1 ATOM 1080 C CD2 . LEU A 0 133 . 0.877 17.206 -22.446 1.00 65.92 133 A 1 ATOM 1081 N N . THR A 0 134 . -2.150 13.685 -19.258 1.00 60.07 134 A 1 ATOM 1082 C CA . THR A 0 134 . -3.352 13.194 -18.591 1.00 60.07 134 A 1 ATOM 1083 C C . THR A 0 134 . -3.337 13.657 -17.142 1.00 60.07 134 A 1 ATOM 1084 C CB . THR A 0 134 . -3.556 11.668 -18.717 1.00 60.07 134 A 1 ATOM 1085 O O . THR A 0 134 . -2.308 13.677 -16.470 1.00 60.07 134 A 1 ATOM 1086 C CG2 . THR A 0 134 . -2.291 10.823 -18.713 1.00 60.07 134 A 1 ATOM 1087 O OG1 . THR A 0 134 . -4.334 11.164 -17.654 1.00 60.07 134 A 1 ATOM 1088 N N . ASN A 0 135 . -4.520 14.015 -16.663 1.00 54.83 135 A 1 ATOM 1089 C CA . ASN A 0 135 . -4.741 14.664 -15.377 1.00 54.83 135 A 1 ATOM 1090 C C . ASN A 0 135 . -4.671 13.667 -14.202 1.00 54.83 135 A 1 ATOM 1091 C CB . ASN A 0 135 . -6.106 15.384 -15.426 1.00 54.83 135 A 1 ATOM 1092 O O . ASN A 0 135 . -4.844 14.059 -13.054 1.00 54.83 135 A 1 ATOM 1093 C CG . ASN A 0 135 . -6.428 16.142 -16.711 1.00 54.83 135 A 1 ATOM 1094 N ND2 . ASN A 0 135 . -7.656 16.573 -16.863 1.00 54.83 135 A 1 ATOM 1095 O OD1 . ASN A 0 135 . -5.631 16.320 -17.616 1.00 54.83 135 A 1 ATOM 1096 N N . MET A 0 136 . -4.448 12.377 -14.476 1.00 55.77 136 A 1 ATOM 1097 C CA . MET A 0 136 . -4.566 11.290 -13.495 1.00 55.77 136 A 1 ATOM 1098 C C . MET A 0 136 . -3.330 11.122 -12.593 1.00 55.77 136 A 1 ATOM 1099 C CB . MET A 0 136 . -4.904 9.975 -14.224 1.00 55.77 136 A 1 ATOM 1100 O O . MET A 0 136 . -3.325 10.256 -11.726 1.00 55.77 136 A 1 ATOM 1101 C CG . MET A 0 136 . -6.224 10.044 -15.007 1.00 55.77 136 A 1 ATOM 1102 S SD . MET A 0 136 . -7.720 10.256 -14.005 1.00 55.77 136 A 1 ATOM 1103 C CE . MET A 0 136 . -8.011 8.543 -13.483 1.00 55.77 136 A 1 ATOM 1104 N N . GLY A 0 137 . -2.262 11.903 -12.798 1.00 51.07 137 A 1 ATOM 1105 C CA . GLY A 0 137 . -1.056 11.854 -11.956 1.00 51.07 137 A 1 ATOM 1106 C C . GLY A 0 137 . -0.183 10.603 -12.129 1.00 51.07 137 A 1 ATOM 1107 O O . GLY A 0 137 . 0.759 10.414 -11.364 1.00 51.07 137 A 1 ATOM 1108 N N . ILE A 0 138 . -0.467 9.767 -13.132 1.00 56.58 138 A 1 ATOM 1109 C CA . ILE A 0 138 . 0.299 8.552 -13.436 1.00 56.58 138 A 1 ATOM 1110 C C . ILE A 0 138 . 1.531 8.926 -14.268 1.00 56.58 138 A 1 ATOM 1111 C CB . ILE A 0 138 . -0.589 7.495 -14.129 1.00 56.58 138 A 1 ATOM 1112 O O . ILE A 0 138 . 1.416 9.551 -15.332 1.00 56.58 138 A 1 ATOM 1113 C CG1 . ILE A 0 138 . -1.783 7.100 -13.228 1.00 56.58 138 A 1 ATOM 1114 C CG2 . ILE A 0 138 . 0.241 6.245 -14.481 1.00 56.58 138 A 1 ATOM 1115 C CD1 . ILE A 0 138 . -2.875 6.316 -13.964 1.00 56.58 138 A 1 ATOM 1116 N N . ILE A 0 139 . 2.715 8.537 -13.789 1.00 60.53 139 A 1 ATOM 1117 C CA . ILE A 0 139 . 4.006 8.937 -14.376 1.00 60.53 139 A 1 ATOM 1118 C C . ILE A 0 139 . 4.285 8.173 -15.670 1.00 60.53 139 A 1 ATOM 1119 C CB . ILE A 0 139 . 5.161 8.717 -13.371 1.00 60.53 139 A 1 ATOM 1120 O O . ILE A 0 139 . 4.854 8.713 -16.620 1.00 60.53 139 A 1 ATOM 1121 C CG1 . ILE A 0 139 . 4.877 9.421 -12.032 1.00 60.53 139 A 1 ATOM 1122 C CG2 . ILE A 0 139 . 6.484 9.227 -13.982 1.00 60.53 139 A 1 ATOM 1123 C CD1 . ILE A 0 139 . 5.916 9.100 -10.948 1.00 60.53 139 A 1 ATOM 1124 N N . PHE A 0 140 . 3.893 6.902 -15.724 1.00 57.59 140 A 1 ATOM 1125 C CA . PHE A 0 140 . 4.177 6.053 -16.871 1.00 57.59 140 A 1 ATOM 1126 C C . PHE A 0 140 . 3.045 6.120 -17.898 1.00 57.59 140 A 1 ATOM 1127 C CB . PHE A 0 140 . 4.511 4.635 -16.393 1.00 57.59 140 A 1 ATOM 1128 O O . PHE A 0 140 . 1.912 5.735 -17.630 1.00 57.59 140 A 1 ATOM 1129 C CG . PHE A 0 140 . 5.821 4.575 -15.622 1.00 57.59 140 A 1 ATOM 1130 C CD1 . PHE A 0 140 . 7.037 4.820 -16.292 1.00 57.59 140 A 1 ATOM 1131 C CD2 . PHE A 0 140 . 5.827 4.336 -14.235 1.00 57.59 140 A 1 ATOM 1132 C CE1 . PHE A 0 140 . 8.251 4.818 -15.585 1.00 57.59 140 A 1 ATOM 1133 C CE2 . PHE A 0 140 . 7.043 4.331 -13.528 1.00 57.59 140 A 1 ATOM 1134 C CZ . PHE A 0 140 . 8.253 4.570 -14.203 1.00 57.59 140 A 1 ATOM 1135 N N . LYS A 0 141 . 3.357 6.562 -19.126 1.00 54.19 141 A 1 ATOM 1136 C CA . LYS A 0 141 . 2.453 6.366 -20.268 1.00 54.19 141 A 1 ATOM 1137 C C . LYS A 0 141 . 2.287 4.865 -20.515 1.00 54.19 141 A 1 ATOM 1138 C CB . LYS A 0 141 . 2.955 7.081 -21.537 1.00 54.19 141 A 1 ATOM 1139 O O . LYS A 0 141 . 3.224 4.196 -20.953 1.00 54.19 141 A 1 ATOM 1140 C CG . LYS A 0 141 . 2.565 8.567 -21.585 1.00 54.19 141 A 1 ATOM 1141 C CD . LYS A 0 141 . 2.914 9.181 -22.952 1.00 54.19 141 A 1 ATOM 1142 C CE . LYS A 0 141 . 2.428 10.636 -23.027 1.00 54.19 141 A 1 ATOM 1143 N NZ . LYS A 0 141 . 2.798 11.293 -24.309 1.00 54.19 141 A 1 ATOM 1144 N N . HIS A 0 142 . 1.094 4.345 -20.257 1.00 51.13 142 A 1 ATOM 1145 C CA . HIS A 0 142 . 0.724 2.973 -20.583 1.00 51.13 142 A 1 ATOM 1146 C C . HIS A 0 142 . 0.164 2.923 -22.012 1.00 51.13 142 A 1 ATOM 1147 C CB . HIS A 0 142 . -0.255 2.448 -19.520 1.00 51.13 142 A 1 ATOM 1148 O O . HIS A 0 142 . -0.722 3.699 -22.361 1.00 51.13 142 A 1 ATOM 1149 C CG . HIS A 0 142 . 0.316 2.501 -18.120 1.00 51.13 142 A 1 ATOM 1150 C CD2 . HIS A 0 142 . -0.103 3.301 -17.089 1.00 51.13 142 A 1 ATOM 1151 N ND1 . HIS A 0 142 . 1.392 1.775 -17.654 1.00 51.13 142 A 1 ATOM 1152 C CE1 . HIS A 0 142 . 1.608 2.129 -16.374 1.00 51.13 142 A 1 ATOM 1153 N NE2 . HIS A 0 142 . 0.728 3.056 -15.994 1.00 51.13 142 A 1 ATOM 1154 N N . LYS A 0 143 . 0.695 2.032 -22.858 1.00 41.85 143 A 1 ATOM 1155 C CA . LYS A 0 143 . -0.020 1.591 -24.064 1.00 41.85 143 A 1 ATOM 1156 C C . LYS A 0 143 . -0.879 0.397 -23.646 1.00 41.85 143 A 1 ATOM 1157 C CB . LYS A 0 143 . 0.939 1.232 -25.213 1.00 41.85 143 A 1 ATOM 1158 O O . LYS A 0 143 . -0.310 -0.564 -23.124 1.00 41.85 143 A 1 ATOM 1159 C CG . LYS A 0 143 . 1.475 2.473 -25.948 1.00 41.85 143 A 1 ATOM 1160 C CD . LYS A 0 143 . 2.274 2.076 -27.200 1.00 41.85 143 A 1 ATOM 1161 C CE . LYS A 0 143 . 2.671 3.320 -28.006 1.00 41.85 143 A 1 ATOM 1162 N NZ . LYS A 0 143 . 3.315 2.960 -29.296 1.00 41.85 143 A 1 ATOM 1163 N N . HIS A 0 144 . -2.196 0.533 -23.800 1.00 44.85 144 A 1 ATOM 1164 C CA . HIS A 0 144 . -3.149 -0.574 -23.706 1.00 44.85 144 A 1 ATOM 1165 C C . HIS A 0 144 . -2.861 -1.619 -24.787 1.00 44.85 144 A 1 ATOM 1166 C CB . HIS A 0 144 . -4.587 -0.037 -23.804 1.00 44.85 144 A 1 ATOM 1167 O O . HIS A 0 144 . -2.380 -1.213 -25.874 1.00 44.85 144 A 1 ATOM 1168 C CG . HIS A 0 144 . -5.040 0.689 -22.563 1.00 44.85 144 A 1 ATOM 1169 C CD2 . HIS A 0 144 . -4.980 2.034 -22.317 1.00 44.85 144 A 1 ATOM 1170 N ND1 . HIS A 0 144 . -5.593 0.101 -21.452 1.00 44.85 144 A 1 ATOM 1171 C CE1 . HIS A 0 144 . -5.864 1.066 -20.557 1.00 44.85 144 A 1 ATOM 1172 N NE2 . HIS A 0 144 . -5.497 2.264 -21.037 1.00 44.85 144 A 1 ATOM 1173 O OXT . HIS A 0 144 . -3.081 -2.800 -24.459 1.00 44.85 144 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 84.81 # loop_ _atom_type.symbol C N O S #