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 VAL 0 4 MET 0 5 GLN 0 6 ARG 0 7 ALA 0 8 ARG 0 9 ALA 0 10 LEU 0 11 ASN 0 12 ILE 0 13 PHE 0 14 LYS 0 15 LYS 0 16 LEU 0 17 HIS 0 18 ARG 0 19 THR 0 20 CYS 0 21 GLU 0 22 ASN 0 23 VAL 0 24 PHE 0 25 LYS 0 26 ASP 0 27 ASP 0 28 ILE 0 29 GLU 0 30 THR 0 31 LEU 0 32 GLN 0 33 ASN 0 34 ALA 0 35 ARG 0 36 GLU 0 37 LYS 0 38 ILE 0 39 ASN 0 40 SER 0 41 GLU 0 42 PHE 0 43 ARG 0 44 ALA 0 45 ASN 0 46 ARG 0 47 ASN 0 48 GLU 0 49 THR 0 50 ASP 0 51 ALA 0 52 GLU 0 53 LYS 0 54 ILE 0 55 ASN 0 56 GLU 0 57 LEU 0 58 LEU 0 59 VAL 0 60 LYS 0 61 ALA 0 62 GLU 0 63 ASP 0 64 CYS 0 65 GLU 0 66 ILE 0 67 LEU 0 68 ILE 0 69 ARG 0 70 THR 0 71 THR 0 72 VAL 0 73 ILE 0 74 GLN 0 75 MET 0 76 GLU 0 77 LEU 0 78 ILE 0 79 ASP 0 80 ALA 0 81 GLU 0 82 LYS 0 83 ASN 0 84 VAL 0 85 TYR 0 86 ARG 0 87 MET 0 88 ASN 0 89 LEU 0 90 ARG 0 91 ASP 0 92 ASP 0 93 LEU 0 94 ALA 0 95 TYR 0 96 GLN 0 97 ASP 0 98 ASN 0 99 GLU 0 100 HIS 0 101 CYS 0 102 ILE 0 103 LYS 0 104 ASP 0 105 LYS # 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 . -17.246 3.196 19.246 1.00 63.38 1 A 1 ATOM 2 C CA . MET A 0 1 . -15.839 2.843 18.942 1.00 63.38 1 A 1 ATOM 3 C C . MET A 0 1 . -15.688 2.148 17.583 1.00 63.38 1 A 1 ATOM 4 C CB . MET A 0 1 . -15.195 2.067 20.099 1.00 63.38 1 A 1 ATOM 5 O O . MET A 0 1 . -14.960 2.668 16.749 1.00 63.38 1 A 1 ATOM 6 C CG . MET A 0 1 . -13.927 2.788 20.559 1.00 63.38 1 A 1 ATOM 7 S SD . MET A 0 1 . -13.135 2.020 21.988 1.00 63.38 1 A 1 ATOM 8 C CE . MET A 0 1 . -14.215 2.534 23.353 1.00 63.38 1 A 1 ATOM 9 N N . ILE A 0 2 . -16.443 1.074 17.301 1.00 69.51 2 A 1 ATOM 10 C CA . ILE A 0 2 . -16.349 0.274 16.053 1.00 69.51 2 A 1 ATOM 11 C C . ILE A 0 2 . -16.518 1.100 14.756 1.00 69.51 2 A 1 ATOM 12 C CB . ILE A 0 2 . -17.372 -0.893 16.119 1.00 69.51 2 A 1 ATOM 13 O O . ILE A 0 2 . -15.770 0.919 13.799 1.00 69.51 2 A 1 ATOM 14 C CG1 . ILE A 0 2 . -17.074 -1.819 17.327 1.00 69.51 2 A 1 ATOM 15 C CG2 . ILE A 0 2 . -17.378 -1.712 14.814 1.00 69.51 2 A 1 ATOM 16 C CD1 . ILE A 0 2 . -18.140 -2.892 17.585 1.00 69.51 2 A 1 ATOM 17 N N . VAL A 0 3 . -17.454 2.060 14.709 1.00 75.67 3 A 1 ATOM 18 C CA . VAL A 0 3 . -17.665 2.907 13.510 1.00 75.67 3 A 1 ATOM 19 C C . VAL A 0 3 . -16.424 3.747 13.171 1.00 75.67 3 A 1 ATOM 20 C CB . VAL A 0 3 . -18.906 3.812 13.670 1.00 75.67 3 A 1 ATOM 21 O O . VAL A 0 3 . -16.066 3.860 11.999 1.00 75.67 3 A 1 ATOM 22 C CG1 . VAL A 0 3 . -19.149 4.695 12.439 1.00 75.67 3 A 1 ATOM 23 C CG2 . VAL A 0 3 . -20.175 2.976 13.894 1.00 75.67 3 A 1 ATOM 24 N N . MET A 0 4 . -15.727 4.283 14.183 1.00 82.15 4 A 1 ATOM 25 C CA . MET A 0 4 . -14.488 5.046 13.974 1.00 82.15 4 A 1 ATOM 26 C C . MET A 0 4 . -13.362 4.146 13.451 1.00 82.15 4 A 1 ATOM 27 C CB . MET A 0 4 . -14.039 5.754 15.263 1.00 82.15 4 A 1 ATOM 28 O O . MET A 0 4 . -12.642 4.538 12.535 1.00 82.15 4 A 1 ATOM 29 C CG . MET A 0 4 . -15.018 6.847 15.705 1.00 82.15 4 A 1 ATOM 30 S SD . MET A 0 4 . -14.388 7.948 17.002 1.00 82.15 4 A 1 ATOM 31 C CE . MET A 0 4 . -14.235 6.834 18.422 1.00 82.15 4 A 1 ATOM 32 N N . GLN A 0 5 . -13.260 2.913 13.959 1.00 88.44 5 A 1 ATOM 33 C CA . GLN A 0 5 . -12.287 1.931 13.469 1.00 88.44 5 A 1 ATOM 34 C C . GLN A 0 5 . -12.547 1.551 12.007 1.00 88.44 5 A 1 ATOM 35 C CB . GLN A 0 5 . -12.309 0.680 14.352 1.00 88.44 5 A 1 ATOM 36 O O . GLN A 0 5 . -11.605 1.479 11.223 1.00 88.44 5 A 1 ATOM 37 C CG . GLN A 0 5 . -11.738 0.940 15.754 1.00 88.44 5 A 1 ATOM 38 C CD . GLN A 0 5 . -11.835 -0.292 16.646 1.00 88.44 5 A 1 ATOM 39 N NE2 . GLN A 0 5 . -10.896 -0.473 17.546 1.00 88.44 5 A 1 ATOM 40 O OE1 . GLN A 0 5 . -12.776 -1.063 16.561 1.00 88.44 5 A 1 ATOM 41 N N . ARG A 0 6 . -13.814 1.404 11.594 1.00 90.98 6 A 1 ATOM 42 C CA . ARG A 0 6 . -14.164 1.156 10.186 1.00 90.98 6 A 1 ATOM 43 C C . ARG A 0 6 . -13.729 2.304 9.272 1.00 90.98 6 A 1 ATOM 44 C CB . ARG A 0 6 . -15.670 0.880 10.073 1.00 90.98 6 A 1 ATOM 45 O O . ARG A 0 6 . -13.187 2.053 8.197 1.00 90.98 6 A 1 ATOM 46 C CG . ARG A 0 6 . -16.073 0.502 8.640 1.00 90.98 6 A 1 ATOM 47 C CD . ARG A 0 6 . -17.585 0.275 8.552 1.00 90.98 6 A 1 ATOM 48 N NE . ARG A 0 6 . -18.013 0.041 7.159 1.00 90.98 6 A 1 ATOM 49 N NH1 . ARG A 0 6 . -17.758 -2.244 7.118 1.00 90.98 6 A 1 ATOM 50 N NH2 . ARG A 0 6 . -18.498 -1.175 5.300 1.00 90.98 6 A 1 ATOM 51 C CZ . ARG A 0 6 . -18.086 -1.123 6.536 1.00 90.98 6 A 1 ATOM 52 N N . ALA A 0 7 . -13.961 3.552 9.678 1.00 94.02 7 A 1 ATOM 53 C CA . ALA A 0 7 . -13.535 4.717 8.903 1.00 94.02 7 A 1 ATOM 54 C C . ALA A 0 7 . -12.003 4.788 8.782 1.00 94.02 7 A 1 ATOM 55 C CB . ALA A 0 7 . -14.120 5.979 9.545 1.00 94.02 7 A 1 ATOM 56 O O . ALA A 0 7 . -11.487 5.003 7.684 1.00 94.02 7 A 1 ATOM 57 N N . ARG A 0 8 . -11.281 4.530 9.884 1.00 95.29 8 A 1 ATOM 58 C CA . ARG A 0 8 . -9.814 4.452 9.898 1.00 95.29 8 A 1 ATOM 59 C C . ARG A 0 8 . -9.302 3.337 8.982 1.00 95.29 8 A 1 ATOM 60 C CB . ARG A 0 8 . -9.320 4.308 11.349 1.00 95.29 8 A 1 ATOM 61 O O . ARG A 0 8 . -8.469 3.610 8.126 1.00 95.29 8 A 1 ATOM 62 C CG . ARG A 0 8 . -7.787 4.382 11.448 1.00 95.29 8 A 1 ATOM 63 C CD . ARG A 0 8 . -7.325 4.246 12.901 1.00 95.29 8 A 1 ATOM 64 N NE . ARG A 0 8 . -5.853 4.200 13.035 1.00 95.29 8 A 1 ATOM 65 N NH1 . ARG A 0 8 . -5.801 3.110 15.048 1.00 95.29 8 A 1 ATOM 66 N NH2 . ARG A 0 8 . -3.893 3.746 14.116 1.00 95.29 8 A 1 ATOM 67 C CZ . ARG A 0 8 . -5.184 3.692 14.057 1.00 95.29 8 A 1 ATOM 68 N N . ALA A 0 9 . -9.871 2.134 9.069 1.00 96.07 9 A 1 ATOM 69 C CA . ALA A 0 9 . -9.522 1.005 8.207 1.00 96.07 9 A 1 ATOM 70 C C . ALA A 0 9 . -9.652 1.344 6.715 1.00 96.07 9 A 1 ATOM 71 C CB . ALA A 0 9 . -10.414 -0.189 8.575 1.00 96.07 9 A 1 ATOM 72 O O . ALA A 0 9 . -8.742 1.081 5.934 1.00 96.07 9 A 1 ATOM 73 N N . LEU A 0 10 . -10.760 1.981 6.316 1.00 95.99 10 A 1 ATOM 74 C CA . LEU A 0 10 . -10.979 2.399 4.929 1.00 95.99 10 A 1 ATOM 75 C C . LEU A 0 10 . -10.004 3.491 4.477 1.00 95.99 10 A 1 ATOM 76 C CB . LEU A 0 10 . -12.423 2.901 4.769 1.00 95.99 10 A 1 ATOM 77 O O . LEU A 0 10 . -9.619 3.509 3.307 1.00 95.99 10 A 1 ATOM 78 C CG . LEU A 0 10 . -13.495 1.803 4.852 1.00 95.99 10 A 1 ATOM 79 C CD1 . LEU A 0 10 . -14.880 2.456 4.841 1.00 95.99 10 A 1 ATOM 80 C CD2 . LEU A 0 10 . -13.422 0.828 3.675 1.00 95.99 10 A 1 ATOM 81 N N . ASN A 0 11 . -9.627 4.408 5.370 1.00 97.37 11 A 1 ATOM 82 C CA . ASN A 0 11 . -8.643 5.442 5.068 1.00 97.37 11 A 1 ATOM 83 C C . ASN A 0 11 . -7.267 4.813 4.814 1.00 97.37 11 A 1 ATOM 84 C CB . ASN A 0 11 . -8.642 6.493 6.191 1.00 97.37 11 A 1 ATOM 85 O O . ASN A 0 11 . -6.713 5.005 3.735 1.00 97.37 11 A 1 ATOM 86 C CG . ASN A 0 11 . -7.828 7.728 5.838 1.00 97.37 11 A 1 ATOM 87 N ND2 . ASN A 0 11 . -8.151 8.861 6.411 1.00 97.37 11 A 1 ATOM 88 O OD1 . ASN A 0 11 . -6.919 7.718 5.031 1.00 97.37 11 A 1 ATOM 89 N N . ILE A 0 12 . -6.783 3.976 5.737 1.00 97.69 12 A 1 ATOM 90 C CA . ILE A 0 12 . -5.492 3.284 5.608 1.00 97.69 12 A 1 ATOM 91 C C . ILE A 0 12 . -5.469 2.407 4.357 1.00 97.69 12 A 1 ATOM 92 C CB . ILE A 0 12 . -5.196 2.430 6.854 1.00 97.69 12 A 1 ATOM 93 O O . ILE A 0 12 . -4.516 2.465 3.589 1.00 97.69 12 A 1 ATOM 94 C CG1 . ILE A 0 12 . -5.151 3.291 8.132 1.00 97.69 12 A 1 ATOM 95 C CG2 . ILE A 0 12 . -3.849 1.699 6.681 1.00 97.69 12 A 1 ATOM 96 C CD1 . ILE A 0 12 . -5.377 2.419 9.370 1.00 97.69 12 A 1 ATOM 97 N N . PHE A 0 13 . -6.546 1.660 4.095 1.00 97.98 13 A 1 ATOM 98 C CA . PHE A 0 13 . -6.676 0.846 2.888 1.00 97.98 13 A 1 ATOM 99 C C . PHE A 0 13 . -6.485 1.677 1.612 1.00 97.98 13 A 1 ATOM 100 C CB . PHE A 0 13 . -8.054 0.177 2.900 1.00 97.98 13 A 1 ATOM 101 O O . PHE A 0 13 . -5.692 1.322 0.746 1.00 97.98 13 A 1 ATOM 102 C CG . PHE A 0 13 . -8.335 -0.660 1.672 1.00 97.98 13 A 1 ATOM 103 C CD1 . PHE A 0 13 . -9.065 -0.121 0.597 1.00 97.98 13 A 1 ATOM 104 C CD2 . PHE A 0 13 . -7.845 -1.975 1.599 1.00 97.98 13 A 1 ATOM 105 C CE1 . PHE A 0 13 . -9.325 -0.905 -0.539 1.00 97.98 13 A 1 ATOM 106 C CE2 . PHE A 0 13 . -8.115 -2.763 0.469 1.00 97.98 13 A 1 ATOM 107 C CZ . PHE A 0 13 . -8.864 -2.230 -0.594 1.00 97.98 13 A 1 ATOM 108 N N . LYS A 0 14 . -7.181 2.817 1.496 1.00 98.05 14 A 1 ATOM 109 C CA . LYS A 0 14 . -7.030 3.721 0.344 1.00 98.05 14 A 1 ATOM 110 C C . LYS A 0 14 . -5.643 4.354 0.290 1.00 98.05 14 A 1 ATOM 111 C CB . LYS A 0 14 . -8.087 4.828 0.396 1.00 98.05 14 A 1 ATOM 112 O O . LYS A 0 14 . -5.115 4.538 -0.802 1.00 98.05 14 A 1 ATOM 113 C CG . LYS A 0 14 . -9.494 4.309 0.084 1.00 98.05 14 A 1 ATOM 114 C CD . LYS A 0 14 . -10.505 5.445 0.264 1.00 98.05 14 A 1 ATOM 115 C CE . LYS A 0 14 . -11.922 4.931 0.006 1.00 98.05 14 A 1 ATOM 116 N NZ . LYS A 0 14 . -12.921 6.023 0.123 1.00 98.05 14 A 1 ATOM 117 N N . LYS A 0 15 . -5.078 4.709 1.445 1.00 97.89 15 A 1 ATOM 118 C CA . LYS A 0 15 . -3.750 5.313 1.550 1.00 97.89 15 A 1 ATOM 119 C C . LYS A 0 15 . -2.677 4.345 1.056 1.00 97.89 15 A 1 ATOM 120 C CB . LYS A 0 15 . -3.499 5.776 2.991 1.00 97.89 15 A 1 ATOM 121 O O . LYS A 0 15 . -1.912 4.731 0.189 1.00 97.89 15 A 1 ATOM 122 C CG . LYS A 0 15 . -2.331 6.767 3.047 1.00 97.89 15 A 1 ATOM 123 C CD . LYS A 0 15 . -1.991 7.110 4.499 1.00 97.89 15 A 1 ATOM 124 C CE . LYS A 0 15 . -0.889 8.172 4.536 1.00 97.89 15 A 1 ATOM 125 N NZ . LYS A 0 15 . -0.169 8.148 5.828 1.00 97.89 15 A 1 ATOM 126 N N . LEU A 0 16 . -2.708 3.087 1.498 1.00 97.93 16 A 1 ATOM 127 C CA . LEU A 0 16 . -1.813 2.026 1.027 1.00 97.93 16 A 1 ATOM 128 C C . LEU A 0 16 . -1.844 1.876 -0.496 1.00 97.93 16 A 1 ATOM 129 C CB . LEU A 0 16 . -2.201 0.694 1.695 1.00 97.93 16 A 1 ATOM 130 O O . LEU A 0 16 . -0.791 1.899 -1.121 1.00 97.93 16 A 1 ATOM 131 C CG . LEU A 0 16 . -1.605 0.503 3.096 1.00 97.93 16 A 1 ATOM 132 C CD1 . LEU A 0 16 . -2.309 -0.660 3.793 1.00 97.93 16 A 1 ATOM 133 C CD2 . LEU A 0 16 . -0.115 0.167 3.016 1.00 97.93 16 A 1 ATOM 134 N N . HIS A 0 17 . -3.035 1.788 -1.101 1.00 98.11 17 A 1 ATOM 135 C CA . HIS A 0 17 . -3.149 1.692 -2.564 1.00 98.11 17 A 1 ATOM 136 C C . HIS A 0 17 . -2.539 2.905 -3.273 1.00 98.11 17 A 1 ATOM 137 C CB . HIS A 0 17 . -4.611 1.485 -2.988 1.00 98.11 17 A 1 ATOM 138 O O . HIS A 0 17 . -1.762 2.726 -4.202 1.00 98.11 17 A 1 ATOM 139 C CG . HIS A 0 17 . -5.085 0.064 -2.807 1.00 98.11 17 A 1 ATOM 140 C CD2 . HIS A 0 17 . -6.016 -0.373 -1.911 1.00 98.11 17 A 1 ATOM 141 N ND1 . HIS A 0 17 . -4.608 -1.037 -3.521 1.00 98.11 17 A 1 ATOM 142 C CE1 . HIS A 0 17 . -5.222 -2.109 -3.004 1.00 98.11 17 A 1 ATOM 143 N NE2 . HIS A 0 17 . -6.088 -1.740 -2.051 1.00 98.11 17 A 1 ATOM 144 N N . ARG A 0 18 . -2.823 4.127 -2.803 1.00 97.88 18 A 1 ATOM 145 C CA . ARG A 0 18 . -2.246 5.359 -3.374 1.00 97.88 18 A 1 ATOM 146 C C . ARG A 0 18 . -0.728 5.414 -3.221 1.00 97.88 18 A 1 ATOM 147 C CB . ARG A 0 18 . -2.854 6.584 -2.690 1.00 97.88 18 A 1 ATOM 148 O O . ARG A 0 18 . -0.032 5.839 -4.134 1.00 97.88 18 A 1 ATOM 149 C CG . ARG A 0 18 . -4.316 6.798 -3.080 1.00 97.88 18 A 1 ATOM 150 C CD . ARG A 0 18 . -4.896 7.873 -2.161 1.00 97.88 18 A 1 ATOM 151 N NE . ARG A 0 18 . -6.301 8.156 -2.492 1.00 97.88 18 A 1 ATOM 152 N NH1 . ARG A 0 18 . -6.619 9.785 -0.913 1.00 97.88 18 A 1 ATOM 153 N NH2 . ARG A 0 18 . -8.263 9.294 -2.345 1.00 97.88 18 A 1 ATOM 154 C CZ . ARG A 0 18 . -7.054 9.069 -1.913 1.00 97.88 18 A 1 ATOM 155 N N . THR A 0 19 . -0.216 4.991 -2.069 1.00 97.37 19 A 1 ATOM 156 C CA . THR A 0 19 . 1.222 4.928 -1.806 1.00 97.37 19 A 1 ATOM 157 C C . THR A 0 19 . 1.886 3.936 -2.753 1.00 97.37 19 A 1 ATOM 158 C CB . THR A 0 19 . 1.484 4.606 -0.328 1.00 97.37 19 A 1 ATOM 159 O O . THR A 0 19 . 2.876 4.290 -3.380 1.00 97.37 19 A 1 ATOM 160 C CG2 . THR A 0 19 . 2.963 4.429 -0.013 1.00 97.37 19 A 1 ATOM 161 O OG1 . THR A 0 19 . 0.993 5.699 0.421 1.00 97.37 19 A 1 ATOM 162 N N . CYS A 0 20 . 1.314 2.746 -2.949 1.00 97.09 20 A 1 ATOM 163 C CA . CYS A 0 20 . 1.816 1.796 -3.941 1.00 97.09 20 A 1 ATOM 164 C C . CYS A 0 20 . 1.773 2.366 -5.366 1.00 97.09 20 A 1 ATOM 165 C CB . CYS A 0 20 . 1.028 0.485 -3.841 1.00 97.09 20 A 1 ATOM 166 O O . CYS A 0 20 . 2.770 2.254 -6.067 1.00 97.09 20 A 1 ATOM 167 S SG . CYS A 0 20 . 1.421 -0.351 -2.278 1.00 97.09 20 A 1 ATOM 168 N N . GLU A 0 21 . 0.678 3.018 -5.772 1.00 96.01 21 A 1 ATOM 169 C CA . GLU A 0 21 . 0.548 3.670 -7.089 1.00 96.01 21 A 1 ATOM 170 C C . GLU A 0 21 . 1.632 4.729 -7.334 1.00 96.01 21 A 1 ATOM 171 C CB . GLU A 0 21 . -0.857 4.289 -7.231 1.00 96.01 21 A 1 ATOM 172 O O . GLU A 0 21 . 2.172 4.817 -8.434 1.00 96.01 21 A 1 ATOM 173 C CG . GLU A 0 21 . -1.933 3.219 -7.500 1.00 96.01 21 A 1 ATOM 174 C CD . GLU A 0 21 . -3.389 3.731 -7.459 1.00 96.01 21 A 1 ATOM 175 O OE1 . GLU A 0 21 . -4.279 2.953 -7.894 1.00 96.01 21 A 1 ATOM 176 O OE2 . GLU A 0 21 . -3.653 4.839 -6.932 1.00 96.01 21 A 1 ATOM 177 N N . ASN A 0 22 . 1.987 5.501 -6.306 1.00 95.01 22 A 1 ATOM 178 C CA . ASN A 0 22 . 3.036 6.514 -6.403 1.00 95.01 22 A 1 ATOM 179 C C . ASN A 0 22 . 4.453 5.920 -6.366 1.00 95.01 22 A 1 ATOM 180 C CB . ASN A 0 22 . 2.849 7.513 -5.252 1.00 95.01 22 A 1 ATOM 181 O O . ASN A 0 22 . 5.362 6.462 -6.992 1.00 95.01 22 A 1 ATOM 182 C CG . ASN A 0 22 . 1.625 8.397 -5.393 1.00 95.01 22 A 1 ATOM 183 N ND2 . ASN A 0 22 . 1.232 9.046 -4.322 1.00 95.01 22 A 1 ATOM 184 O OD1 . ASN A 0 22 . 1.034 8.581 -6.444 1.00 95.01 22 A 1 ATOM 185 N N . VAL A 0 23 . 4.659 4.849 -5.595 1.00 95.60 23 A 1 ATOM 186 C CA . VAL A 0 23 . 5.978 4.241 -5.360 1.00 95.60 23 A 1 ATOM 187 C C . VAL A 0 23 . 6.389 3.316 -6.501 1.00 95.60 23 A 1 ATOM 188 C CB . VAL A 0 23 . 5.979 3.494 -4.014 1.00 95.60 23 A 1 ATOM 189 O O . VAL A 0 23 . 7.554 3.320 -6.879 1.00 95.60 23 A 1 ATOM 190 C CG1 . VAL A 0 23 . 7.228 2.636 -3.784 1.00 95.60 23 A 1 ATOM 191 C CG2 . VAL A 0 23 . 5.884 4.487 -2.844 1.00 95.60 23 A 1 ATOM 192 N N . PHE A 0 24 . 5.450 2.544 -7.047 1.00 95.49 24 A 1 ATOM 193 C CA . PHE A 0 24 . 5.667 1.568 -8.120 1.00 95.49 24 A 1 ATOM 194 C C . PHE A 0 24 . 5.070 2.068 -9.436 1.00 95.49 24 A 1 ATOM 195 C CB . PHE A 0 24 . 5.096 0.207 -7.705 1.00 95.49 24 A 1 ATOM 196 O O . PHE A 0 24 . 4.385 1.337 -10.152 1.00 95.49 24 A 1 ATOM 197 C CG . PHE A 0 24 . 5.574 -0.293 -6.361 1.00 95.49 24 A 1 ATOM 198 C CD1 . PHE A 0 24 . 6.936 -0.578 -6.169 1.00 95.49 24 A 1 ATOM 199 C CD2 . PHE A 0 24 . 4.658 -0.494 -5.312 1.00 95.49 24 A 1 ATOM 200 C CE1 . PHE A 0 24 . 7.381 -1.072 -4.932 1.00 95.49 24 A 1 ATOM 201 C CE2 . PHE A 0 24 . 5.104 -0.982 -4.071 1.00 95.49 24 A 1 ATOM 202 C CZ . PHE A 0 24 . 6.467 -1.270 -3.882 1.00 95.49 24 A 1 ATOM 203 N N . LYS A 0 25 . 5.258 3.356 -9.725 1.00 92.20 25 A 1 ATOM 204 C CA . LYS A 0 25 . 4.661 3.990 -10.897 1.00 92.20 25 A 1 ATOM 205 C C . LYS A 0 25 . 5.123 3.267 -12.165 1.00 92.20 25 A 1 ATOM 206 C CB . LYS A 0 25 . 5.036 5.471 -10.905 1.00 92.20 25 A 1 ATOM 207 O O . LYS A 0 25 . 6.290 2.911 -12.287 1.00 92.20 25 A 1 ATOM 208 C CG . LYS A 0 25 . 4.199 6.217 -11.944 1.00 92.20 25 A 1 ATOM 209 C CD . LYS A 0 25 . 4.732 7.630 -12.136 1.00 92.20 25 A 1 ATOM 210 C CE . LYS A 0 25 . 4.026 8.225 -13.349 1.00 92.20 25 A 1 ATOM 211 N NZ . LYS A 0 25 . 4.678 9.488 -13.743 1.00 92.20 25 A 1 ATOM 212 N N . ASP A 0 26 . 4.193 3.029 -13.084 1.00 92.37 26 A 1 ATOM 213 C CA . ASP A 0 26 . 4.439 2.355 -14.366 1.00 92.37 26 A 1 ATOM 214 C C . ASP A 0 26 . 4.939 0.889 -14.254 1.00 92.37 26 A 1 ATOM 215 C CB . ASP A 0 26 . 5.282 3.274 -15.283 1.00 92.37 26 A 1 ATOM 216 O O . ASP A 0 26 . 5.130 0.224 -15.271 1.00 92.37 26 A 1 ATOM 217 C CG . ASP A 0 26 . 4.647 4.671 -15.446 1.00 92.37 26 A 1 ATOM 218 O OD1 . ASP A 0 26 . 3.421 4.730 -15.698 1.00 92.37 26 A 1 ATOM 219 O OD2 . ASP A 0 26 . 5.335 5.707 -15.272 1.00 92.37 26 A 1 ATOM 220 N N . ASP A 0 27 . 5.045 0.330 -13.040 1.00 94.54 27 A 1 ATOM 221 C CA . ASP A 0 27 . 5.333 -1.085 -12.779 1.00 94.54 27 A 1 ATOM 222 C C . ASP A 0 27 . 4.031 -1.843 -12.478 1.00 94.54 27 A 1 ATOM 223 C CB . ASP A 0 27 . 6.385 -1.212 -11.673 1.00 94.54 27 A 1 ATOM 224 O O . ASP A 0 27 . 3.604 -2.026 -11.334 1.00 94.54 27 A 1 ATOM 225 C CG . ASP A 0 27 . 6.807 -2.660 -11.409 1.00 94.54 27 A 1 ATOM 226 O OD1 . ASP A 0 27 . 6.137 -3.605 -11.890 1.00 94.54 27 A 1 ATOM 227 O OD2 . ASP A 0 27 . 7.779 -2.829 -10.642 1.00 94.54 27 A 1 ATOM 228 N N . ILE A 0 28 . 3.358 -2.257 -13.552 1.00 95.92 28 A 1 ATOM 229 C CA . ILE A 0 28 . 2.038 -2.896 -13.484 1.00 95.92 28 A 1 ATOM 230 C C . ILE A 0 28 . 2.086 -4.204 -12.684 1.00 95.92 28 A 1 ATOM 231 C CB . ILE A 0 28 . 1.480 -3.126 -14.908 1.00 95.92 28 A 1 ATOM 232 O O . ILE A 0 28 . 1.156 -4.481 -11.924 1.00 95.92 28 A 1 ATOM 233 C CG1 . ILE A 0 28 . 1.323 -1.775 -15.648 1.00 95.92 28 A 1 ATOM 234 C CG2 . ILE A 0 28 . 0.130 -3.874 -14.860 1.00 95.92 28 A 1 ATOM 235 C CD1 . ILE A 0 28 . 0.894 -1.904 -17.116 1.00 95.92 28 A 1 ATOM 236 N N . GLU A 0 29 . 3.144 -4.999 -12.840 1.00 96.51 29 A 1 ATOM 237 C CA . GLU A 0 29 . 3.282 -6.293 -12.169 1.00 96.51 29 A 1 ATOM 238 C C . GLU A 0 29 . 3.410 -6.106 -10.654 1.00 96.51 29 A 1 ATOM 239 C CB . GLU A 0 29 . 4.488 -7.037 -12.761 1.00 96.51 29 A 1 ATOM 240 O O . GLU A 0 29 . 2.647 -6.695 -9.879 1.00 96.51 29 A 1 ATOM 241 C CG . GLU A 0 29 . 4.629 -8.450 -12.175 1.00 96.51 29 A 1 ATOM 242 C CD . GLU A 0 29 . 5.805 -9.251 -12.755 1.00 96.51 29 A 1 ATOM 243 O OE1 . GLU A 0 29 . 6.057 -10.346 -12.203 1.00 96.51 29 A 1 ATOM 244 O OE2 . GLU A 0 29 . 6.419 -8.799 -13.748 1.00 96.51 29 A 1 ATOM 245 N N . THR A 0 30 . 4.298 -5.212 -10.215 1.00 95.79 30 A 1 ATOM 246 C CA . THR A 0 30 . 4.464 -4.914 -8.790 1.00 95.79 30 A 1 ATOM 247 C C . THR A 0 30 . 3.202 -4.287 -8.199 1.00 95.79 30 A 1 ATOM 248 C CB . THR A 0 30 . 5.685 -4.020 -8.555 1.00 95.79 30 A 1 ATOM 249 O O . THR A 0 30 . 2.790 -4.658 -7.095 1.00 95.79 30 A 1 ATOM 250 C CG2 . THR A 0 30 . 5.930 -3.764 -7.070 1.00 95.79 30 A 1 ATOM 251 O OG1 . THR A 0 30 . 6.834 -4.684 -9.014 1.00 95.79 30 A 1 ATOM 252 N N . LEU A 0 31 . 2.520 -3.400 -8.933 1.00 97.15 31 A 1 ATOM 253 C CA . LEU A 0 31 . 1.245 -2.819 -8.499 1.00 97.15 31 A 1 ATOM 254 C C . LEU A 0 31 . 0.145 -3.871 -8.321 1.00 97.15 31 A 1 ATOM 255 C CB . LEU A 0 31 . 0.783 -1.761 -9.516 1.00 97.15 31 A 1 ATOM 256 O O . LEU A 0 31 . -0.628 -3.791 -7.361 1.00 97.15 31 A 1 ATOM 257 C CG . LEU A 0 31 . 1.572 -0.446 -9.465 1.00 97.15 31 A 1 ATOM 258 C CD1 . LEU A 0 31 . 1.148 0.445 -10.634 1.00 97.15 31 A 1 ATOM 259 C CD2 . LEU A 0 31 . 1.299 0.319 -8.173 1.00 97.15 31 A 1 ATOM 260 N N . GLN A 0 32 . 0.058 -4.856 -9.217 1.00 97.77 32 A 1 ATOM 261 C CA . GLN A 0 32 . -0.903 -5.957 -9.103 1.00 97.77 32 A 1 ATOM 262 C C . GLN A 0 32 . -0.607 -6.818 -7.875 1.00 97.77 32 A 1 ATOM 263 C CB . GLN A 0 32 . -0.899 -6.801 -10.383 1.00 97.77 32 A 1 ATOM 264 O O . GLN A 0 32 . -1.499 -7.017 -7.046 1.00 97.77 32 A 1 ATOM 265 C CG . GLN A 0 32 . -1.648 -6.095 -11.522 1.00 97.77 32 A 1 ATOM 266 C CD . GLN A 0 32 . -1.566 -6.850 -12.845 1.00 97.77 32 A 1 ATOM 267 N NE2 . GLN A 0 32 . -2.182 -6.345 -13.891 1.00 97.77 32 A 1 ATOM 268 O OE1 . GLN A 0 32 . -0.986 -7.908 -12.987 1.00 97.77 32 A 1 ATOM 269 N N . ASN A 0 33 . 0.650 -7.224 -7.693 1.00 97.78 33 A 1 ATOM 270 C CA . ASN A 0 33 . 1.083 -8.005 -6.535 1.00 97.78 33 A 1 ATOM 271 C C . ASN A 0 33 . 0.811 -7.265 -5.213 1.00 97.78 33 A 1 ATOM 272 C CB . ASN A 0 33 . 2.578 -8.326 -6.714 1.00 97.78 33 A 1 ATOM 273 O O . ASN A 0 33 . 0.255 -7.833 -4.266 1.00 97.78 33 A 1 ATOM 274 C CG . ASN A 0 33 . 2.827 -9.360 -7.801 1.00 97.78 33 A 1 ATOM 275 N ND2 . ASN A 0 33 . 3.965 -9.321 -8.452 1.00 97.78 33 A 1 ATOM 276 O OD1 . ASN A 0 33 . 2.019 -10.237 -8.039 1.00 97.78 33 A 1 ATOM 277 N N . ALA A 0 34 . 1.128 -5.968 -5.154 1.00 97.19 34 A 1 ATOM 278 C CA . ALA A 0 34 . 0.841 -5.129 -3.996 1.00 97.19 34 A 1 ATOM 279 C C . ALA A 0 34 . -0.670 -5.039 -3.725 1.00 97.19 34 A 1 ATOM 280 C CB . ALA A 0 34 . 1.456 -3.744 -4.227 1.00 97.19 34 A 1 ATOM 281 O O . ALA A 0 34 . -1.120 -5.233 -2.591 1.00 97.19 34 A 1 ATOM 282 N N . ARG A 0 35 . -1.476 -4.807 -4.769 1.00 97.78 35 A 1 ATOM 283 C CA . ARG A 0 35 . -2.939 -4.721 -4.672 1.00 97.78 35 A 1 ATOM 284 C C . ARG A 0 35 . -3.548 -6.015 -4.145 1.00 97.78 35 A 1 ATOM 285 C CB . ARG A 0 35 . -3.500 -4.337 -6.050 1.00 97.78 35 A 1 ATOM 286 O O . ARG A 0 35 . -4.426 -5.961 -3.279 1.00 97.78 35 A 1 ATOM 287 C CG . ARG A 0 35 . -5.034 -4.391 -6.137 1.00 97.78 35 A 1 ATOM 288 C CD . ARG A 0 35 . -5.526 -3.933 -7.514 1.00 97.78 35 A 1 ATOM 289 N NE . ARG A 0 35 . -5.358 -2.477 -7.694 1.00 97.78 35 A 1 ATOM 290 N NH1 . ARG A 0 35 . -7.499 -1.793 -7.222 1.00 97.78 35 A 1 ATOM 291 N NH2 . ARG A 0 35 . -5.933 -0.270 -7.701 1.00 97.78 35 A 1 ATOM 292 C CZ . ARG A 0 35 . -6.260 -1.523 -7.536 1.00 97.78 35 A 1 ATOM 293 N N . GLU A 0 36 . -3.120 -7.162 -4.658 1.00 98.19 36 A 1 ATOM 294 C CA . GLU A 0 36 . -3.585 -8.473 -4.207 1.00 98.19 36 A 1 ATOM 295 C C . GLU A 0 36 . -3.234 -8.715 -2.744 1.00 98.19 36 A 1 ATOM 296 C CB . GLU A 0 36 . -2.987 -9.580 -5.074 1.00 98.19 36 A 1 ATOM 297 O O . GLU A 0 36 . -4.116 -9.076 -1.957 1.00 98.19 36 A 1 ATOM 298 C CG . GLU A 0 36 . -3.657 -9.607 -6.452 1.00 98.19 36 A 1 ATOM 299 C CD . GLU A 0 36 . -3.161 -10.759 -7.332 1.00 98.19 36 A 1 ATOM 300 O OE1 . GLU A 0 36 . -3.686 -10.836 -8.463 1.00 98.19 36 A 1 ATOM 301 O OE2 . GLU A 0 36 . -2.374 -11.590 -6.828 1.00 98.19 36 A 1 ATOM 302 N N . LYS A 0 37 . -1.988 -8.425 -2.352 1.00 97.96 37 A 1 ATOM 303 C CA . LYS A 0 37 . -1.537 -8.585 -0.970 1.00 97.96 37 A 1 ATOM 304 C C . LYS A 0 37 . -2.338 -7.711 -0.007 1.00 97.96 37 A 1 ATOM 305 C CB . LYS A 0 37 . -0.025 -8.319 -0.897 1.00 97.96 37 A 1 ATOM 306 O O . LYS A 0 37 . -2.879 -8.234 0.966 1.00 97.96 37 A 1 ATOM 307 C CG . LYS A 0 37 . 0.581 -8.563 0.495 1.00 97.96 37 A 1 ATOM 308 C CD . LYS A 0 37 . 0.308 -9.978 1.030 1.00 97.96 37 A 1 ATOM 309 C CE . LYS A 0 37 . 1.132 -10.241 2.291 1.00 97.96 37 A 1 ATOM 310 N NZ . LYS A 0 37 . 0.754 -11.524 2.929 1.00 97.96 37 A 1 ATOM 311 N N . ILE A 0 38 . -2.494 -6.417 -0.303 1.00 97.99 38 A 1 ATOM 312 C CA . ILE A 0 38 . -3.299 -5.491 0.513 1.00 97.99 38 A 1 ATOM 313 C C . ILE A 0 38 . -4.738 -6.009 0.632 1.00 97.99 38 A 1 ATOM 314 C CB . ILE A 0 38 . -3.264 -4.061 -0.084 1.00 97.99 38 A 1 ATOM 315 O O . ILE A 0 38 . -5.283 -6.113 1.731 1.00 97.99 38 A 1 ATOM 316 C CG1 . ILE A 0 38 . -1.851 -3.443 0.024 1.00 97.99 38 A 1 ATOM 317 C CG2 . ILE A 0 38 . -4.272 -3.136 0.631 1.00 97.99 38 A 1 ATOM 318 C CD1 . ILE A 0 38 . -1.638 -2.261 -0.933 1.00 97.99 38 A 1 ATOM 319 N N . ASN A 0 39 . -5.365 -6.380 -0.485 1.00 98.05 39 A 1 ATOM 320 C CA . ASN A 0 39 . -6.744 -6.863 -0.478 1.00 98.05 39 A 1 ATOM 321 C C . ASN A 0 39 . -6.904 -8.154 0.328 1.00 98.05 39 A 1 ATOM 322 C CB . ASN A 0 39 . -7.211 -7.071 -1.924 1.00 98.05 39 A 1 ATOM 323 O O . ASN A 0 39 . -7.895 -8.298 1.043 1.00 98.05 39 A 1 ATOM 324 C CG . ASN A 0 39 . -7.437 -5.771 -2.669 1.00 98.05 39 A 1 ATOM 325 N ND2 . ASN A 0 39 . -7.482 -5.821 -3.977 1.00 98.05 39 A 1 ATOM 326 O OD1 . ASN A 0 39 . -7.643 -4.710 -2.106 1.00 98.05 39 A 1 ATOM 327 N N . SER A 0 40 . -5.954 -9.081 0.217 1.00 98.08 40 A 1 ATOM 328 C CA . SER A 0 40 . -5.966 -10.342 0.954 1.00 98.08 40 A 1 ATOM 329 C C . SER A 0 40 . -5.897 -10.108 2.462 1.00 98.08 40 A 1 ATOM 330 C CB . SER A 0 40 . -4.810 -11.229 0.487 1.00 98.08 40 A 1 ATOM 331 O O . SER A 0 40 . -6.744 -10.619 3.192 1.00 98.08 40 A 1 ATOM 332 O OG . SER A 0 40 . -4.897 -12.487 1.122 1.00 98.08 40 A 1 ATOM 333 N N . GLU A 0 41 . -4.959 -9.281 2.931 1.00 97.24 41 A 1 ATOM 334 C CA . GLU A 0 41 . -4.788 -8.996 4.364 1.00 97.24 41 A 1 ATOM 335 C C . GLU A 0 41 . -6.025 -8.316 4.972 1.00 97.24 41 A 1 ATOM 336 C CB . GLU A 0 41 . -3.549 -8.110 4.574 1.00 97.24 41 A 1 ATOM 337 O O . GLU A 0 41 . -6.519 -8.724 6.027 1.00 97.24 41 A 1 ATOM 338 C CG . GLU A 0 41 . -2.218 -8.810 4.252 1.00 97.24 41 A 1 ATOM 339 C CD . GLU A 0 41 . -1.957 -10.064 5.092 1.00 97.24 41 A 1 ATOM 340 O OE1 . GLU A 0 41 . -1.331 -10.996 4.529 1.00 97.24 41 A 1 ATOM 341 O OE2 . GLU A 0 41 . -2.352 -10.083 6.276 1.00 97.24 41 A 1 ATOM 342 N N . PHE A 0 42 . -6.597 -7.321 4.287 1.00 97.35 42 A 1 ATOM 343 C CA . PHE A 0 42 . -7.811 -6.653 4.768 1.00 97.35 42 A 1 ATOM 344 C C . PHE A 0 42 . -9.044 -7.566 4.716 1.00 97.35 42 A 1 ATOM 345 C CB . PHE A 0 42 . -8.044 -5.359 3.979 1.00 97.35 42 A 1 ATOM 346 O O . PHE A 0 42 . -9.918 -7.471 5.579 1.00 97.35 42 A 1 ATOM 347 C CG . PHE A 0 42 . -7.264 -4.171 4.511 1.00 97.35 42 A 1 ATOM 348 C CD1 . PHE A 0 42 . -7.901 -3.218 5.329 1.00 97.35 42 A 1 ATOM 349 C CD2 . PHE A 0 42 . -5.900 -4.010 4.204 1.00 97.35 42 A 1 ATOM 350 C CE1 . PHE A 0 42 . -7.185 -2.107 5.813 1.00 97.35 42 A 1 ATOM 351 C CE2 . PHE A 0 42 . -5.188 -2.896 4.675 1.00 97.35 42 A 1 ATOM 352 C CZ . PHE A 0 42 . -5.831 -1.941 5.478 1.00 97.35 42 A 1 ATOM 353 N N . ARG A 0 43 . -9.136 -8.471 3.732 1.00 96.70 43 A 1 ATOM 354 C CA . ARG A 0 43 . -10.227 -9.458 3.656 1.00 96.70 43 A 1 ATOM 355 C C . ARG A 0 43 . -10.117 -10.511 4.752 1.00 96.70 43 A 1 ATOM 356 C CB . ARG A 0 43 . -10.257 -10.129 2.279 1.00 96.70 43 A 1 ATOM 357 O O . ARG A 0 43 . -11.141 -10.832 5.351 1.00 96.70 43 A 1 ATOM 358 C CG . ARG A 0 43 . -10.874 -9.223 1.206 1.00 96.70 43 A 1 ATOM 359 C CD . ARG A 0 43 . -10.691 -9.881 -0.164 1.00 96.70 43 A 1 ATOM 360 N NE . ARG A 0 43 . -11.203 -9.035 -1.259 1.00 96.70 43 A 1 ATOM 361 N NH1 . ARG A 0 43 . -10.564 -10.419 -2.978 1.00 96.70 43 A 1 ATOM 362 N NH2 . ARG A 0 43 . -11.562 -8.482 -3.442 1.00 96.70 43 A 1 ATOM 363 C CZ . ARG A 0 43 . -11.111 -9.316 -2.548 1.00 96.70 43 A 1 ATOM 364 N N . ALA A 0 44 . -8.911 -11.002 5.039 1.00 96.76 44 A 1 ATOM 365 C CA . ALA A 0 44 . -8.665 -11.990 6.088 1.00 96.76 44 A 1 ATOM 366 C C . ALA A 0 44 . -9.103 -11.485 7.473 1.00 96.76 44 A 1 ATOM 367 C CB . ALA A 0 44 . -7.174 -12.350 6.067 1.00 96.76 44 A 1 ATOM 368 O O . ALA A 0 44 . -9.647 -12.248 8.265 1.00 96.76 44 A 1 ATOM 369 N N . ASN A 0 45 . -8.953 -10.183 7.728 1.00 95.10 45 A 1 ATOM 370 C CA . ASN A 0 45 . -9.296 -9.554 9.005 1.00 95.10 45 A 1 ATOM 371 C C . ASN A 0 45 . -10.662 -8.833 9.005 1.00 95.10 45 A 1 ATOM 372 C CB . ASN A 0 45 . -8.130 -8.647 9.419 1.00 95.10 45 A 1 ATOM 373 O O . ASN A 0 45 . -11.010 -8.156 9.970 1.00 95.10 45 A 1 ATOM 374 C CG . ASN A 0 45 . -6.855 -9.442 9.650 1.00 95.10 45 A 1 ATOM 375 N ND2 . ASN A 0 45 . -5.922 -9.419 8.727 1.00 95.10 45 A 1 ATOM 376 O OD1 . ASN A 0 45 . -6.701 -10.125 10.647 1.00 95.10 45 A 1 ATOM 377 N N . ARG A 0 46 . -11.472 -8.969 7.943 1.00 92.59 46 A 1 ATOM 378 C CA . ARG A 0 46 . -12.748 -8.239 7.772 1.00 92.59 46 A 1 ATOM 379 C C . ARG A 0 46 . -13.747 -8.456 8.911 1.00 92.59 46 A 1 ATOM 380 C CB . ARG A 0 46 . -13.381 -8.665 6.435 1.00 92.59 46 A 1 ATOM 381 O O . ARG A 0 46 . -14.539 -7.560 9.195 1.00 92.59 46 A 1 ATOM 382 C CG . ARG A 0 46 . -14.811 -8.133 6.225 1.00 92.59 46 A 1 ATOM 383 C CD . ARG A 0 46 . -15.373 -8.613 4.888 1.00 92.59 46 A 1 ATOM 384 N NE . ARG A 0 46 . -16.789 -8.227 4.712 1.00 92.59 46 A 1 ATOM 385 N NH1 . ARG A 0 46 . -17.753 -10.131 5.582 1.00 92.59 46 A 1 ATOM 386 N NH2 . ARG A 0 46 . -19.039 -8.598 4.618 1.00 92.59 46 A 1 ATOM 387 C CZ . ARG A 0 46 . -17.843 -8.985 4.971 1.00 92.59 46 A 1 ATOM 388 N N . ASN A 0 47 . -13.772 -9.665 9.464 1.00 93.46 47 A 1 ATOM 389 C CA . ASN A 0 47 . -14.755 -10.088 10.462 1.00 93.46 47 A 1 ATOM 390 C C . ASN A 0 47 . -14.197 -10.027 11.891 1.00 93.46 47 A 1 ATOM 391 C CB . ASN A 0 47 . -15.269 -11.496 10.117 1.00 93.46 47 A 1 ATOM 392 O O . ASN A 0 47 . -14.821 -10.580 12.790 1.00 93.46 47 A 1 ATOM 393 C CG . ASN A 0 47 . -15.898 -11.651 8.743 1.00 93.46 47 A 1 ATOM 394 N ND2 . ASN A 0 47 . -15.826 -12.845 8.205 1.00 93.46 47 A 1 ATOM 395 O OD1 . ASN A 0 47 . -16.450 -10.748 8.119 1.00 93.46 47 A 1 ATOM 396 N N . GLU A 0 48 . -13.030 -9.412 12.097 1.00 93.90 48 A 1 ATOM 397 C CA . GLU A 0 48 . -12.499 -9.217 13.441 1.00 93.90 48 A 1 ATOM 398 C C . GLU A 0 48 . -13.454 -8.335 14.258 1.00 93.90 48 A 1 ATOM 399 C CB . GLU A 0 48 . -11.073 -8.644 13.366 1.00 93.90 48 A 1 ATOM 400 O O . GLU A 0 48 . -13.976 -7.333 13.760 1.00 93.90 48 A 1 ATOM 401 C CG . GLU A 0 48 . -10.392 -8.566 14.737 1.00 93.90 48 A 1 ATOM 402 C CD . GLU A 0 48 . -10.455 -9.907 15.463 1.00 93.90 48 A 1 ATOM 403 O OE1 . GLU A 0 48 . -11.296 -10.013 16.382 1.00 93.90 48 A 1 ATOM 404 O OE2 . GLU A 0 48 . -9.743 -10.849 15.038 1.00 93.90 48 A 1 ATOM 405 N N . THR A 0 49 . -13.709 -8.734 15.501 1.00 92.46 49 A 1 ATOM 406 C CA . THR A 0 49 . -14.658 -8.071 16.407 1.00 92.46 49 A 1 ATOM 407 C C . THR A 0 49 . -13.988 -7.516 17.653 1.00 92.46 49 A 1 ATOM 408 C CB . THR A 0 49 . -15.794 -9.014 16.830 1.00 92.46 49 A 1 ATOM 409 O O . THR A 0 49 . -14.571 -6.658 18.317 1.00 92.46 49 A 1 ATOM 410 C CG2 . THR A 0 49 . -16.706 -9.372 15.657 1.00 92.46 49 A 1 ATOM 411 O OG1 . THR A 0 49 . -15.307 -10.228 17.358 1.00 92.46 49 A 1 ATOM 412 N N . ASP A 0 50 . -12.785 -7.990 17.973 1.00 94.21 50 A 1 ATOM 413 C CA . ASP A 0 50 . -12.000 -7.482 19.087 1.00 94.21 50 A 1 ATOM 414 C C . ASP A 0 50 . -11.437 -6.092 18.753 1.00 94.21 50 A 1 ATOM 415 C CB . ASP A 0 50 . -10.911 -8.501 19.431 1.00 94.21 50 A 1 ATOM 416 O O . ASP A 0 50 . -10.648 -5.911 17.823 1.00 94.21 50 A 1 ATOM 417 C CG . ASP A 0 50 . -10.080 -8.100 20.650 1.00 94.21 50 A 1 ATOM 418 O OD1 . ASP A 0 50 . -10.092 -6.899 21.011 1.00 94.21 50 A 1 ATOM 419 O OD2 . ASP A 0 50 . -9.436 -9.016 21.195 1.00 94.21 50 A 1 ATOM 420 N N . ALA A 0 51 . -11.855 -5.089 19.526 1.00 93.14 51 A 1 ATOM 421 C CA . ALA A 0 51 . -11.463 -3.705 19.312 1.00 93.14 51 A 1 ATOM 422 C C . ALA A 0 51 . -9.954 -3.467 19.489 1.00 93.14 51 A 1 ATOM 423 C CB . ALA A 0 51 . -12.280 -2.820 20.260 1.00 93.14 51 A 1 ATOM 424 O O . ALA A 0 51 . -9.416 -2.606 18.786 1.00 93.14 51 A 1 ATOM 425 N N . GLU A 0 52 . -9.282 -4.192 20.388 1.00 94.41 52 A 1 ATOM 426 C CA . GLU A 0 52 . -7.840 -4.052 20.622 1.00 94.41 52 A 1 ATOM 427 C C . GLU A 0 52 . -7.067 -4.625 19.439 1.00 94.41 52 A 1 ATOM 428 C CB . GLU A 0 52 . -7.420 -4.729 21.938 1.00 94.41 52 A 1 ATOM 429 O O . GLU A 0 52 . -6.267 -3.923 18.815 1.00 94.41 52 A 1 ATOM 430 C CG . GLU A 0 52 . -8.042 -4.020 23.151 1.00 94.41 52 A 1 ATOM 431 C CD . GLU A 0 52 . -7.514 -4.512 24.510 1.00 94.41 52 A 1 ATOM 432 O OE1 . GLU A 0 52 . -7.791 -3.793 25.500 1.00 94.41 52 A 1 ATOM 433 O OE2 . GLU A 0 52 . -6.852 -5.569 24.566 1.00 94.41 52 A 1 ATOM 434 N N . LYS A 0 53 . -7.423 -5.841 19.022 1.00 95.17 53 A 1 ATOM 435 C CA . LYS A 0 53 . -6.820 -6.495 17.858 1.00 95.17 53 A 1 ATOM 436 C C . LYS A 0 53 . -7.051 -5.725 16.557 1.00 95.17 53 A 1 ATOM 437 C CB . LYS A 0 53 . -7.371 -7.915 17.786 1.00 95.17 53 A 1 ATOM 438 O O . LYS A 0 53 . -6.135 -5.602 15.744 1.00 95.17 53 A 1 ATOM 439 C CG . LYS A 0 53 . -6.661 -8.736 16.707 1.00 95.17 53 A 1 ATOM 440 C CD . LYS A 0 53 . -7.099 -10.190 16.845 1.00 95.17 53 A 1 ATOM 441 C CE . LYS A 0 53 . -6.627 -10.997 15.638 1.00 95.17 53 A 1 ATOM 442 N NZ . LYS A 0 53 . -7.465 -12.205 15.500 1.00 95.17 53 A 1 ATOM 443 N N . ILE A 0 54 . -8.243 -5.151 16.350 1.00 95.51 54 A 1 ATOM 444 C CA . ILE A 0 54 . -8.489 -4.250 15.211 1.00 95.51 54 A 1 ATOM 445 C C . ILE A 0 54 . -7.505 -3.082 15.255 1.00 95.51 54 A 1 ATOM 446 C CB . ILE A 0 54 . -9.944 -3.725 15.185 1.00 95.51 54 A 1 ATOM 447 O O . ILE A 0 54 . -6.913 -2.745 14.234 1.00 95.51 54 A 1 ATOM 448 C CG1 . ILE A 0 54 . -10.928 -4.857 14.839 1.00 95.51 54 A 1 ATOM 449 C CG2 . ILE A 0 54 . -10.121 -2.592 14.152 1.00 95.51 54 A 1 ATOM 450 C CD1 . ILE A 0 54 . -12.385 -4.526 15.189 1.00 95.51 54 A 1 ATOM 451 N N . ASN A 0 55 . -7.322 -2.453 16.417 1.00 95.09 55 A 1 ATOM 452 C CA . ASN A 0 55 . -6.416 -1.318 16.537 1.00 95.09 55 A 1 ATOM 453 C C . ASN A 0 55 . -4.964 -1.702 16.210 1.00 95.09 55 A 1 ATOM 454 C CB . ASN A 0 55 . -6.559 -0.703 17.933 1.00 95.09 55 A 1 ATOM 455 O O . ASN A 0 55 . -4.322 -0.984 15.448 1.00 95.09 55 A 1 ATOM 456 C CG . ASN A 0 55 . -5.711 0.545 18.057 1.00 95.09 55 A 1 ATOM 457 N ND2 . ASN A 0 55 . -4.766 0.560 18.965 1.00 95.09 55 A 1 ATOM 458 O OD1 . ASN A 0 55 . -5.892 1.512 17.328 1.00 95.09 55 A 1 ATOM 459 N N . GLU A 0 56 . -4.478 -2.837 16.714 1.00 96.36 56 A 1 ATOM 460 C CA . GLU A 0 56 . -3.137 -3.354 16.404 1.00 96.36 56 A 1 ATOM 461 C C . GLU A 0 56 . -2.938 -3.592 14.903 1.00 96.36 56 A 1 ATOM 462 C CB . GLU A 0 56 . -2.911 -4.678 17.138 1.00 96.36 56 A 1 ATOM 463 O O . GLU A 0 56 . -1.942 -3.156 14.322 1.00 96.36 56 A 1 ATOM 464 C CG . GLU A 0 56 . -2.790 -4.514 18.658 1.00 96.36 56 A 1 ATOM 465 C CD . GLU A 0 56 . -2.575 -5.858 19.370 1.00 96.36 56 A 1 ATOM 466 O OE1 . GLU A 0 56 . -2.325 -5.808 20.592 1.00 96.36 56 A 1 ATOM 467 O OE2 . GLU A 0 56 . -2.633 -6.911 18.690 1.00 96.36 56 A 1 ATOM 468 N N . LEU A 0 57 . -3.911 -4.228 14.243 1.00 96.91 57 A 1 ATOM 469 C CA . LEU A 0 57 . -3.871 -4.472 12.800 1.00 96.91 57 A 1 ATOM 470 C C . LEU A 0 57 . -3.833 -3.168 11.995 1.00 96.91 57 A 1 ATOM 471 C CB . LEU A 0 57 . -5.099 -5.305 12.399 1.00 96.91 57 A 1 ATOM 472 O O . LEU A 0 57 . -3.127 -3.083 10.990 1.00 96.91 57 A 1 ATOM 473 C CG . LEU A 0 57 . -5.055 -6.770 12.866 1.00 96.91 57 A 1 ATOM 474 C CD1 . LEU A 0 57 . -6.437 -7.387 12.656 1.00 96.91 57 A 1 ATOM 475 C CD2 . LEU A 0 57 . -4.032 -7.587 12.072 1.00 96.91 57 A 1 ATOM 476 N N . LEU A 0 58 . -4.578 -2.147 12.430 1.00 96.85 58 A 1 ATOM 477 C CA . LEU A 0 58 . -4.586 -0.842 11.771 1.00 96.85 58 A 1 ATOM 478 C C . LEU A 0 58 . -3.273 -0.081 11.965 1.00 96.85 58 A 1 ATOM 479 C CB . LEU A 0 58 . -5.787 -0.009 12.246 1.00 96.85 58 A 1 ATOM 480 O O . LEU A 0 58 . -2.790 0.502 11.000 1.00 96.85 58 A 1 ATOM 481 C CG . LEU A 0 58 . -7.163 -0.553 11.821 1.00 96.85 58 A 1 ATOM 482 C CD1 . LEU A 0 58 . -8.249 0.449 12.223 1.00 96.85 58 A 1 ATOM 483 C CD2 . LEU A 0 58 . -7.268 -0.853 10.328 1.00 96.85 58 A 1 ATOM 484 N N . VAL A 0 59 . -2.678 -0.123 13.162 1.00 97.07 59 A 1 ATOM 485 C CA . VAL A 0 59 . -1.346 0.458 13.414 1.00 97.07 59 A 1 ATOM 486 C C . VAL A 0 59 . -0.305 -0.216 12.525 1.00 97.07 59 A 1 ATOM 487 C CB . VAL A 0 59 . -0.966 0.344 14.903 1.00 97.07 59 A 1 ATOM 488 O O . VAL A 0 59 . 0.408 0.464 11.796 1.00 97.07 59 A 1 ATOM 489 C CG1 . VAL A 0 59 . 0.495 0.721 15.172 1.00 97.07 59 A 1 ATOM 490 C CG2 . VAL A 0 59 . -1.843 1.283 15.746 1.00 97.07 59 A 1 ATOM 491 N N . LYS A 0 60 . -0.304 -1.552 12.462 1.00 97.51 60 A 1 ATOM 492 C CA . LYS A 0 60 . 0.596 -2.297 11.573 1.00 97.51 60 A 1 ATOM 493 C C . LYS A 0 60 . 0.428 -1.898 10.103 1.00 97.51 60 A 1 ATOM 494 C CB . LYS A 0 60 . 0.349 -3.793 11.791 1.00 97.51 60 A 1 ATOM 495 O O . LYS A 0 60 . 1.411 -1.766 9.381 1.00 97.51 60 A 1 ATOM 496 C CG . LYS A 0 60 . 1.317 -4.654 10.972 1.00 97.51 60 A 1 ATOM 497 C CD . LYS A 0 60 . 1.044 -6.136 11.227 1.00 97.51 60 A 1 ATOM 498 C CE . LYS A 0 60 . 2.013 -6.973 10.391 1.00 97.51 60 A 1 ATOM 499 N NZ . LYS A 0 60 . 1.768 -8.421 10.586 1.00 97.51 60 A 1 ATOM 500 N N . ALA A 0 61 . -0.809 -1.718 9.641 1.00 97.86 61 A 1 ATOM 501 C CA . ALA A 0 61 . -1.080 -1.297 8.269 1.00 97.86 61 A 1 ATOM 502 C C . ALA A 0 61 . -0.611 0.146 7.987 1.00 97.86 61 A 1 ATOM 503 C CB . ALA A 0 61 . -2.576 -1.490 7.996 1.00 97.86 61 A 1 ATOM 504 O O . ALA A 0 61 . -0.130 0.420 6.887 1.00 97.86 61 A 1 ATOM 505 N N . GLU A 0 62 . -0.725 1.053 8.961 1.00 97.66 62 A 1 ATOM 506 C CA . GLU A 0 62 . -0.165 2.411 8.885 1.00 97.66 62 A 1 ATOM 507 C C . GLU A 0 62 . 1.366 2.389 8.837 1.00 97.66 62 A 1 ATOM 508 C CB . GLU A 0 62 . -0.649 3.268 10.072 1.00 97.66 62 A 1 ATOM 509 O O . GLU A 0 62 . 1.949 3.055 7.982 1.00 97.66 62 A 1 ATOM 510 C CG . GLU A 0 62 . -2.109 3.710 9.898 1.00 97.66 62 A 1 ATOM 511 C CD . GLU A 0 62 . -2.736 4.392 11.131 1.00 97.66 62 A 1 ATOM 512 O OE1 . GLU A 0 62 . -3.911 4.833 11.061 1.00 97.66 62 A 1 ATOM 513 O OE2 . GLU A 0 62 . -2.117 4.447 12.211 1.00 97.66 62 A 1 ATOM 514 N N . ASP A 0 63 . 2.013 1.579 9.674 1.00 97.72 63 A 1 ATOM 515 C CA . ASP A 0 63 . 3.470 1.424 9.674 1.00 97.72 63 A 1 ATOM 516 C C . ASP A 0 63 . 3.973 0.890 8.328 1.00 97.72 63 A 1 ATOM 517 C CB . ASP A 0 63 . 3.906 0.476 10.800 1.00 97.72 63 A 1 ATOM 518 O O . ASP A 0 63 . 4.945 1.405 7.775 1.00 97.72 63 A 1 ATOM 519 C CG . ASP A 0 63 . 3.696 1.037 12.209 1.00 97.72 63 A 1 ATOM 520 O OD1 . ASP A 0 63 . 3.616 2.278 12.351 1.00 97.72 63 A 1 ATOM 521 O OD2 . ASP A 0 63 . 3.656 0.199 13.139 1.00 97.72 63 A 1 ATOM 522 N N . CYS A 0 64 . 3.279 -0.098 7.749 1.00 97.47 64 A 1 ATOM 523 C CA . CYS A 0 64 . 3.586 -0.588 6.406 1.00 97.47 64 A 1 ATOM 524 C C . CYS A 0 64 . 3.446 0.510 5.343 1.00 97.47 64 A 1 ATOM 525 C CB . CYS A 0 64 . 2.672 -1.770 6.054 1.00 97.47 64 A 1 ATOM 526 O O . CYS A 0 64 . 4.287 0.603 4.452 1.00 97.47 64 A 1 ATOM 527 S SG . CYS A 0 64 . 3.108 -3.251 7.011 1.00 97.47 64 A 1 ATOM 528 N N . GLU A 0 65 . 2.407 1.345 5.421 1.00 97.57 65 A 1 ATOM 529 C CA . GLU A 0 65 . 2.236 2.468 4.495 1.00 97.57 65 A 1 ATOM 530 C C . GLU A 0 65 . 3.398 3.453 4.593 1.00 97.57 65 A 1 ATOM 531 C CB . GLU A 0 65 . 0.895 3.170 4.760 1.00 97.57 65 A 1 ATOM 532 O O . GLU A 0 65 . 3.947 3.846 3.565 1.00 97.57 65 A 1 ATOM 533 C CG . GLU A 0 65 . 0.567 4.267 3.735 1.00 97.57 65 A 1 ATOM 534 C CD . GLU A 0 65 . 1.250 5.626 3.994 1.00 97.57 65 A 1 ATOM 535 O OE1 . GLU A 0 65 . 1.468 6.378 3.021 1.00 97.57 65 A 1 ATOM 536 O OE2 . GLU A 0 65 . 1.403 6.065 5.159 1.00 97.57 65 A 1 ATOM 537 N N . ILE A 0 66 . 3.794 3.820 5.814 1.00 96.51 66 A 1 ATOM 538 C CA . ILE A 0 66 . 4.916 4.729 6.054 1.00 96.51 66 A 1 ATOM 539 C C . ILE A 0 66 . 6.202 4.113 5.511 1.00 96.51 66 A 1 ATOM 540 C CB . ILE A 0 66 . 5.023 5.076 7.556 1.00 96.51 66 A 1 ATOM 541 O O . ILE A 0 66 . 6.909 4.781 4.766 1.00 96.51 66 A 1 ATOM 542 C CG1 . ILE A 0 66 . 3.794 5.906 7.995 1.00 96.51 66 A 1 ATOM 543 C CG2 . ILE A 0 66 . 6.322 5.856 7.852 1.00 96.51 66 A 1 ATOM 544 C CD1 . ILE A 0 66 . 3.640 6.022 9.515 1.00 96.51 66 A 1 ATOM 545 N N . LEU A 0 67 . 6.470 2.843 5.821 1.00 96.35 67 A 1 ATOM 546 C CA . LEU A 0 67 . 7.663 2.137 5.366 1.00 96.35 67 A 1 ATOM 547 C C . LEU A 0 67 . 7.777 2.151 3.838 1.00 96.35 67 A 1 ATOM 548 C CB . LEU A 0 67 . 7.616 0.700 5.914 1.00 96.35 67 A 1 ATOM 549 O O . LEU A 0 67 . 8.813 2.538 3.301 1.00 96.35 67 A 1 ATOM 550 C CG . LEU A 0 67 . 8.863 -0.137 5.577 1.00 96.35 67 A 1 ATOM 551 C CD1 . LEU A 0 67 . 10.089 0.358 6.342 1.00 96.35 67 A 1 ATOM 552 C CD2 . LEU A 0 67 . 8.619 -1.600 5.946 1.00 96.35 67 A 1 ATOM 553 N N . ILE A 0 68 . 6.711 1.772 3.128 1.00 96.56 68 A 1 ATOM 554 C CA . ILE A 0 68 . 6.710 1.751 1.658 1.00 96.56 68 A 1 ATOM 555 C C . ILE A 0 68 . 6.942 3.163 1.113 1.00 96.56 68 A 1 ATOM 556 C CB . ILE A 0 68 . 5.394 1.138 1.129 1.00 96.56 68 A 1 ATOM 557 O O . ILE A 0 68 . 7.771 3.359 0.227 1.00 96.56 68 A 1 ATOM 558 C CG1 . ILE A 0 68 . 5.282 -0.352 1.524 1.00 96.56 68 A 1 ATOM 559 C CG2 . ILE A 0 68 . 5.297 1.249 -0.404 1.00 96.56 68 A 1 ATOM 560 C CD1 . ILE A 0 68 . 3.864 -0.913 1.344 1.00 96.56 68 A 1 ATOM 561 N N . ARG A 0 69 . 6.246 4.155 1.674 1.00 96.11 69 A 1 ATOM 562 C CA . ARG A 0 69 . 6.317 5.544 1.226 1.00 96.11 69 A 1 ATOM 563 C C . ARG A 0 69 . 7.719 6.135 1.373 1.00 96.11 69 A 1 ATOM 564 C CB . ARG A 0 69 . 5.268 6.341 2.012 1.00 96.11 69 A 1 ATOM 565 O O . ARG A 0 69 . 8.222 6.750 0.436 1.00 96.11 69 A 1 ATOM 566 C CG . ARG A 0 69 . 5.110 7.740 1.431 1.00 96.11 69 A 1 ATOM 567 C CD . ARG A 0 69 . 3.870 8.481 1.942 1.00 96.11 69 A 1 ATOM 568 N NE . ARG A 0 69 . 3.739 8.402 3.407 1.00 96.11 69 A 1 ATOM 569 N NH1 . ARG A 0 69 . 5.334 9.970 3.934 1.00 96.11 69 A 1 ATOM 570 N NH2 . ARG A 0 69 . 4.380 8.754 5.552 1.00 96.11 69 A 1 ATOM 571 C CZ . ARG A 0 69 . 4.482 9.047 4.287 1.00 96.11 69 A 1 ATOM 572 N N . THR A 0 70 . 8.345 5.932 2.531 1.00 95.20 70 A 1 ATOM 573 C CA . THR A 0 70 . 9.572 6.642 2.910 1.00 95.20 70 A 1 ATOM 574 C C . THR A 0 70 . 10.859 5.892 2.577 1.00 95.20 70 A 1 ATOM 575 C CB . THR A 0 70 . 9.578 6.998 4.403 1.00 95.20 70 A 1 ATOM 576 O O . THR A 0 70 . 11.909 6.528 2.505 1.00 95.20 70 A 1 ATOM 577 C CG2 . THR A 0 70 . 8.348 7.777 4.881 1.00 95.20 70 A 1 ATOM 578 O OG1 . THR A 0 70 . 9.659 5.832 5.188 1.00 95.20 70 A 1 ATOM 579 N N . THR A 0 71 . 10.813 4.568 2.381 1.00 94.52 71 A 1 ATOM 580 C CA . THR A 0 71 . 12.037 3.756 2.210 1.00 94.52 71 A 1 ATOM 581 C C . THR A 0 71 . 12.210 3.151 0.819 1.00 94.52 71 A 1 ATOM 582 C CB . THR A 0 71 . 12.172 2.655 3.272 1.00 94.52 71 A 1 ATOM 583 O O . THR A 0 71 . 13.335 2.868 0.414 1.00 94.52 71 A 1 ATOM 584 C CG2 . THR A 0 71 . 12.020 3.186 4.698 1.00 94.52 71 A 1 ATOM 585 O OG1 . THR A 0 71 . 11.235 1.624 3.074 1.00 94.52 71 A 1 ATOM 586 N N . VAL A 0 72 . 11.136 2.961 0.049 1.00 94.70 72 A 1 ATOM 587 C CA . VAL A 0 72 . 11.229 2.275 -1.249 1.00 94.70 72 A 1 ATOM 588 C C . VAL A 0 72 . 11.544 3.269 -2.364 1.00 94.70 72 A 1 ATOM 589 C CB . VAL A 0 72 . 9.955 1.469 -1.544 1.00 94.70 72 A 1 ATOM 590 O O . VAL A 0 72 . 10.719 4.115 -2.701 1.00 94.70 72 A 1 ATOM 591 C CG1 . VAL A 0 72 . 10.043 0.746 -2.894 1.00 94.70 72 A 1 ATOM 592 C CG2 . VAL A 0 72 . 9.719 0.406 -0.462 1.00 94.70 72 A 1 ATOM 593 N N . ILE A 0 73 . 12.711 3.143 -2.992 1.00 92.99 73 A 1 ATOM 594 C CA . ILE A 0 73 . 13.087 3.916 -4.185 1.00 92.99 73 A 1 ATOM 595 C C . ILE A 0 73 . 12.966 3.012 -5.408 1.00 92.99 73 A 1 ATOM 596 C CB . ILE A 0 73 . 14.500 4.524 -4.049 1.00 92.99 73 A 1 ATOM 597 O O . ILE A 0 73 . 13.599 1.960 -5.471 1.00 92.99 73 A 1 ATOM 598 C CG1 . ILE A 0 73 . 14.563 5.435 -2.801 1.00 92.99 73 A 1 ATOM 599 C CG2 . ILE A 0 73 . 14.860 5.315 -5.325 1.00 92.99 73 A 1 ATOM 600 C CD1 . ILE A 0 73 . 15.954 5.997 -2.492 1.00 92.99 73 A 1 ATOM 601 N N . GLN A 0 74 . 12.168 3.433 -6.388 1.00 92.42 74 A 1 ATOM 602 C CA . GLN A 0 74 . 12.052 2.732 -7.662 1.00 92.42 74 A 1 ATOM 603 C C . GLN A 0 74 . 13.194 3.151 -8.590 1.00 92.42 74 A 1 ATOM 604 C CB . GLN A 0 74 . 10.675 3.010 -8.269 1.00 92.42 74 A 1 ATOM 605 O O . GLN A 0 74 . 13.524 4.338 -8.690 1.00 92.42 74 A 1 ATOM 606 C CG . GLN A 0 74 . 10.364 2.150 -9.506 1.00 92.42 74 A 1 ATOM 607 C CD . GLN A 0 74 . 9.029 2.523 -10.144 1.00 92.42 74 A 1 ATOM 608 N NE2 . GLN A 0 74 . 8.483 1.684 -10.991 1.00 92.42 74 A 1 ATOM 609 O OE1 . GLN A 0 74 . 8.477 3.588 -9.911 1.00 92.42 74 A 1 ATOM 610 N N . MET A 0 75 . 13.783 2.171 -9.274 1.00 92.59 75 A 1 ATOM 611 C CA . MET A 0 75 . 14.787 2.395 -10.308 1.00 92.59 75 A 1 ATOM 612 C C . MET A 0 75 . 14.263 1.891 -11.650 1.00 92.59 75 A 1 ATOM 613 C CB . MET A 0 75 . 16.118 1.723 -9.949 1.00 92.59 75 A 1 ATOM 614 O O . MET A 0 75 . 13.892 0.728 -11.774 1.00 92.59 75 A 1 ATOM 615 C CG . MET A 0 75 . 16.674 2.211 -8.610 1.00 92.59 75 A 1 ATOM 616 S SD . MET A 0 75 . 18.395 1.724 -8.319 1.00 92.59 75 A 1 ATOM 617 C CE . MET A 0 75 . 18.409 1.772 -6.510 1.00 92.59 75 A 1 ATOM 618 N N . GLU A 0 76 . 14.256 2.758 -12.655 1.00 91.89 76 A 1 ATOM 619 C CA . GLU A 0 76 . 13.912 2.407 -14.032 1.00 91.89 76 A 1 ATOM 620 C C . GLU A 0 76 . 15.184 2.088 -14.811 1.00 91.89 76 A 1 ATOM 621 C CB . GLU A 0 76 . 13.182 3.568 -14.715 1.00 91.89 76 A 1 ATOM 622 O O . GLU A 0 76 . 16.108 2.903 -14.849 1.00 91.89 76 A 1 ATOM 623 C CG . GLU A 0 76 . 11.788 3.841 -14.143 1.00 91.89 76 A 1 ATOM 624 C CD . GLU A 0 76 . 11.173 5.137 -14.701 1.00 91.89 76 A 1 ATOM 625 O OE1 . GLU A 0 76 . 10.123 5.535 -14.155 1.00 91.89 76 A 1 ATOM 626 O OE2 . GLU A 0 76 . 11.772 5.790 -15.600 1.00 91.89 76 A 1 ATOM 627 N N . LEU A 0 77 . 15.236 0.927 -15.465 1.00 92.87 77 A 1 ATOM 628 C CA . LEU A 0 77 . 16.318 0.601 -16.389 1.00 92.87 77 A 1 ATOM 629 C C . LEU A 0 77 . 16.157 1.412 -17.681 1.00 92.87 77 A 1 ATOM 630 C CB . LEU A 0 77 . 16.321 -0.914 -16.648 1.00 92.87 77 A 1 ATOM 631 O O . LEU A 0 77 . 15.170 1.255 -18.394 1.00 92.87 77 A 1 ATOM 632 C CG . LEU A 0 77 . 17.427 -1.384 -17.612 1.00 92.87 77 A 1 ATOM 633 C CD1 . LEU A 0 77 . 18.814 -0.970 -17.124 1.00 92.87 77 A 1 ATOM 634 C CD2 . LEU A 0 77 . 17.380 -2.907 -17.723 1.00 92.87 77 A 1 ATOM 635 N N . ILE A 0 78 . 17.135 2.267 -17.983 1.00 94.42 78 A 1 ATOM 636 C CA . ILE A 0 78 . 17.139 3.122 -19.181 1.00 94.42 78 A 1 ATOM 637 C C . ILE A 0 78 . 18.011 2.520 -20.283 1.00 94.42 78 A 1 ATOM 638 C CB . ILE A 0 78 . 17.610 4.549 -18.817 1.00 94.42 78 A 1 ATOM 639 O O . ILE A 0 78 . 17.647 2.566 -21.455 1.00 94.42 78 A 1 ATOM 640 C CG1 . ILE A 0 78 . 16.803 5.178 -17.659 1.00 94.42 78 A 1 ATOM 641 C CG2 . ILE A 0 78 . 17.579 5.479 -20.044 1.00 94.42 78 A 1 ATOM 642 C CD1 . ILE A 0 78 . 15.287 5.265 -17.885 1.00 94.42 78 A 1 ATOM 643 N N . ASP A 0 79 . 19.163 1.962 -19.909 1.00 94.42 79 A 1 ATOM 644 C CA . ASP A 0 79 . 20.107 1.335 -20.834 1.00 94.42 79 A 1 ATOM 645 C C . ASP A 0 79 . 20.668 0.059 -20.193 1.00 94.42 79 A 1 ATOM 646 C CB . ASP A 0 79 . 21.206 2.348 -21.205 1.00 94.42 79 A 1 ATOM 647 O O . ASP A 0 79 . 21.419 0.119 -19.216 1.00 94.42 79 A 1 ATOM 648 C CG . ASP A 0 79 . 22.159 1.877 -22.308 1.00 94.42 79 A 1 ATOM 649 O OD1 . ASP A 0 79 . 22.417 0.657 -22.380 1.00 94.42 79 A 1 ATOM 650 O OD2 . ASP A 0 79 . 22.718 2.755 -23.017 1.00 94.42 79 A 1 ATOM 651 N N . ALA A 0 80 . 20.276 -1.093 -20.742 1.00 94.35 80 A 1 ATOM 652 C CA . ALA A 0 80 . 20.691 -2.411 -20.267 1.00 94.35 80 A 1 ATOM 653 C C . ALA A 0 80 . 22.168 -2.707 -20.552 1.00 94.35 80 A 1 ATOM 654 C CB . ALA A 0 80 . 19.774 -3.457 -20.910 1.00 94.35 80 A 1 ATOM 655 O O . ALA A 0 80 . 22.836 -3.333 -19.734 1.00 94.35 80 A 1 ATOM 656 N N . GLU A 0 81 . 22.700 -2.232 -21.679 1.00 95.69 81 A 1 ATOM 657 C CA . GLU A 0 81 . 24.090 -2.485 -22.066 1.00 95.69 81 A 1 ATOM 658 C C . GLU A 0 81 . 25.053 -1.680 -21.192 1.00 95.69 81 A 1 ATOM 659 C CB . GLU A 0 81 . 24.302 -2.122 -23.542 1.00 95.69 81 A 1 ATOM 660 O O . GLU A 0 81 . 26.109 -2.170 -20.791 1.00 95.69 81 A 1 ATOM 661 C CG . GLU A 0 81 . 23.436 -2.954 -24.500 1.00 95.69 81 A 1 ATOM 662 C CD . GLU A 0 81 . 23.696 -2.629 -25.981 1.00 95.69 81 A 1 ATOM 663 O OE1 . GLU A 0 81 . 23.153 -3.374 -26.827 1.00 95.69 81 A 1 ATOM 664 O OE2 . GLU A 0 81 . 24.429 -1.653 -26.270 1.00 95.69 81 A 1 ATOM 665 N N . LYS A 0 82 . 24.669 -0.443 -20.856 1.00 95.08 82 A 1 ATOM 666 C CA . LYS A 0 82 . 25.469 0.453 -20.012 1.00 95.08 82 A 1 ATOM 667 C C . LYS A 0 82 . 25.125 0.380 -18.523 1.00 95.08 82 A 1 ATOM 668 C CB . LYS A 0 82 . 25.386 1.890 -20.541 1.00 95.08 82 A 1 ATOM 669 O O . LYS A 0 82 . 25.748 1.099 -17.744 1.00 95.08 82 A 1 ATOM 670 C CG . LYS A 0 82 . 25.865 2.015 -21.990 1.00 95.08 82 A 1 ATOM 671 C CD . LYS A 0 82 . 26.070 3.491 -22.350 1.00 95.08 82 A 1 ATOM 672 C CE . LYS A 0 82 . 26.124 3.657 -23.868 1.00 95.08 82 A 1 ATOM 673 N NZ . LYS A 0 82 . 24.765 3.905 -24.390 1.00 95.08 82 A 1 ATOM 674 N N . ASN A 0 83 . 24.160 -0.451 -18.120 1.00 92.96 83 A 1 ATOM 675 C CA . ASN A 0 83 . 23.634 -0.517 -16.750 1.00 92.96 83 A 1 ATOM 676 C C . ASN A 0 83 . 23.231 0.864 -16.195 1.00 92.96 83 A 1 ATOM 677 C CB . ASN A 0 83 . 24.616 -1.279 -15.841 1.00 92.96 83 A 1 ATOM 678 O O . ASN A 0 83 . 23.554 1.212 -15.058 1.00 92.96 83 A 1 ATOM 679 C CG . ASN A 0 83 . 24.688 -2.747 -16.187 1.00 92.96 83 A 1 ATOM 680 N ND2 . ASN A 0 83 . 25.828 -3.238 -16.611 1.00 92.96 83 A 1 ATOM 681 O OD1 . ASN A 0 83 . 23.719 -3.471 -16.061 1.00 92.96 83 A 1 ATOM 682 N N . VAL A 0 84 . 22.548 1.677 -17.005 1.00 94.18 84 A 1 ATOM 683 C CA . VAL A 0 84 . 22.088 3.010 -16.591 1.00 94.18 84 A 1 ATOM 684 C C . VAL A 0 84 . 20.664 2.915 -16.069 1.00 94.18 84 A 1 ATOM 685 C CB . VAL A 0 84 . 22.193 4.055 -17.713 1.00 94.18 84 A 1 ATOM 686 O O . VAL A 0 84 . 19.750 2.529 -16.799 1.00 94.18 84 A 1 ATOM 687 C CG1 . VAL A 0 84 . 21.694 5.436 -17.265 1.00 94.18 84 A 1 ATOM 688 C CG2 . VAL A 0 84 . 23.648 4.220 -18.168 1.00 94.18 84 A 1 ATOM 689 N N . TYR A 0 85 . 20.481 3.346 -14.824 1.00 93.53 85 A 1 ATOM 690 C CA . TYR A 0 85 . 19.190 3.393 -14.154 1.00 93.53 85 A 1 ATOM 691 C C . TYR A 0 85 . 18.813 4.832 -13.812 1.00 93.53 85 A 1 ATOM 692 C CB . TYR A 0 85 . 19.203 2.513 -12.898 1.00 93.53 85 A 1 ATOM 693 O O . TYR A 0 85 . 19.665 5.641 -13.439 1.00 93.53 85 A 1 ATOM 694 C CG . TYR A 0 85 . 19.451 1.040 -13.168 1.00 93.53 85 A 1 ATOM 695 C CD1 . TYR A 0 85 . 18.373 0.135 -13.218 1.00 93.53 85 A 1 ATOM 696 C CD2 . TYR A 0 85 . 20.766 0.576 -13.371 1.00 93.53 85 A 1 ATOM 697 C CE1 . TYR A 0 85 . 18.613 -1.230 -13.470 1.00 93.53 85 A 1 ATOM 698 C CE2 . TYR A 0 85 . 21.006 -0.780 -13.658 1.00 93.53 85 A 1 ATOM 699 O OH . TYR A 0 85 . 20.147 -2.993 -14.013 1.00 93.53 85 A 1 ATOM 700 C CZ . TYR A 0 85 . 19.928 -1.688 -13.705 1.00 93.53 85 A 1 ATOM 701 N N . ARG A 0 86 . 17.522 5.148 -13.902 1.00 92.20 86 A 1 ATOM 702 C CA . ARG A 0 86 . 16.944 6.382 -13.373 1.00 92.20 86 A 1 ATOM 703 C C . ARG A 0 86 . 16.327 6.086 -12.013 1.00 92.20 86 A 1 ATOM 704 C CB . ARG A 0 86 . 15.914 6.927 -14.368 1.00 92.20 86 A 1 ATOM 705 O O . ARG A 0 86 . 15.452 5.236 -11.909 1.00 92.20 86 A 1 ATOM 706 C CG . ARG A 0 86 . 15.249 8.224 -13.882 1.00 92.20 86 A 1 ATOM 707 C CD . ARG A 0 86 . 14.083 8.617 -14.791 1.00 92.20 86 A 1 ATOM 708 N NE . ARG A 0 86 . 14.529 8.891 -16.172 1.00 92.20 86 A 1 ATOM 709 N NH1 . ARG A 0 86 . 12.802 7.809 -17.261 1.00 92.20 86 A 1 ATOM 710 N NH2 . ARG A 0 86 . 14.392 8.843 -18.436 1.00 92.20 86 A 1 ATOM 711 C CZ . ARG A 0 86 . 13.901 8.513 -17.271 1.00 92.20 86 A 1 ATOM 712 N N . MET A 0 87 . 16.768 6.799 -10.983 1.00 91.68 87 A 1 ATOM 713 C CA . MET A 0 87 . 16.140 6.754 -9.663 1.00 91.68 87 A 1 ATOM 714 C C . MET A 0 87 . 14.959 7.721 -9.614 1.00 91.68 87 A 1 ATOM 715 C CB . MET A 0 87 . 17.163 7.107 -8.578 1.00 91.68 87 A 1 ATOM 716 O O . MET A 0 87 . 15.124 8.916 -9.858 1.00 91.68 87 A 1 ATOM 717 C CG . MET A 0 87 . 18.204 6.004 -8.384 1.00 91.68 87 A 1 ATOM 718 S SD . MET A 0 87 . 19.514 6.479 -7.230 1.00 91.68 87 A 1 ATOM 719 C CE . MET A 0 87 . 20.178 4.845 -6.827 1.00 91.68 87 A 1 ATOM 720 N N . ASN A 0 88 . 13.786 7.214 -9.246 1.00 89.62 88 A 1 ATOM 721 C CA . ASN A 0 88 . 12.592 8.023 -9.036 1.00 89.62 88 A 1 ATOM 722 C C . ASN A 0 88 . 12.541 8.473 -7.571 1.00 89.62 88 A 1 ATOM 723 C CB . ASN A 0 88 . 11.362 7.220 -9.492 1.00 89.62 88 A 1 ATOM 724 O O . ASN A 0 88 . 11.917 7.830 -6.723 1.00 89.62 88 A 1 ATOM 725 C CG . ASN A 0 88 . 11.307 7.017 -10.998 1.00 89.62 88 A 1 ATOM 726 N ND2 . ASN A 0 88 . 10.547 6.043 -11.442 1.00 89.62 88 A 1 ATOM 727 O OD1 . ASN A 0 88 . 11.914 7.749 -11.770 1.00 89.62 88 A 1 ATOM 728 N N . LEU A 0 89 . 13.251 9.562 -7.268 1.00 90.63 89 A 1 ATOM 729 C CA . LEU A 0 89 . 13.245 10.169 -5.938 1.00 90.63 89 A 1 ATOM 730 C C . LEU A 0 89 . 11.942 10.941 -5.709 1.00 90.63 89 A 1 ATOM 731 C CB . LEU A 0 89 . 14.482 11.060 -5.734 1.00 90.63 89 A 1 ATOM 732 O O . LEU A 0 89 . 11.442 11.618 -6.606 1.00 90.63 89 A 1 ATOM 733 C CG . LEU A 0 89 . 15.833 10.342 -5.911 1.00 90.63 89 A 1 ATOM 734 C CD1 . LEU A 0 89 . 16.971 11.330 -5.660 1.00 90.63 89 A 1 ATOM 735 C CD2 . LEU A 0 89 . 16.005 9.158 -4.956 1.00 90.63 89 A 1 ATOM 736 N N . ARG A 0 90 . 11.400 10.826 -4.498 1.00 90.87 90 A 1 ATOM 737 C CA . ARG A 0 90 . 10.169 11.487 -4.060 1.00 90.87 90 A 1 ATOM 738 C C . ARG A 0 90 . 10.442 12.277 -2.784 1.00 90.87 90 A 1 ATOM 739 C CB . ARG A 0 90 . 9.080 10.439 -3.808 1.00 90.87 90 A 1 ATOM 740 O O . ARG A 0 90 . 11.290 11.880 -1.986 1.00 90.87 90 A 1 ATOM 741 C CG . ARG A 0 90 . 8.701 9.569 -5.021 1.00 90.87 90 A 1 ATOM 742 C CD . ARG A 0 90 . 7.586 8.574 -4.662 1.00 90.87 90 A 1 ATOM 743 N NE . ARG A 0 90 . 7.952 7.767 -3.488 1.00 90.87 90 A 1 ATOM 744 N NH1 . ARG A 0 90 . 9.107 6.061 -4.546 1.00 90.87 90 A 1 ATOM 745 N NH2 . ARG A 0 90 . 9.024 6.181 -2.324 1.00 90.87 90 A 1 ATOM 746 C CZ . ARG A 0 90 . 8.690 6.678 -3.472 1.00 90.87 90 A 1 ATOM 747 N N . ASP A 0 91 . 9.689 13.350 -2.573 1.00 89.74 91 A 1 ATOM 748 C CA . ASP A 0 91 . 9.867 14.265 -1.432 1.00 89.74 91 A 1 ATOM 749 C C . ASP A 0 91 . 9.621 13.599 -0.068 1.00 89.74 91 A 1 ATOM 750 C CB . ASP A 0 91 . 8.891 15.445 -1.575 1.00 89.74 91 A 1 ATOM 751 O O . ASP A 0 91 . 10.053 14.093 0.971 1.00 89.74 91 A 1 ATOM 752 C CG . ASP A 0 91 . 9.069 16.257 -2.860 1.00 89.74 91 A 1 ATOM 753 O OD1 . ASP A 0 91 . 10.192 16.265 -3.407 1.00 89.74 91 A 1 ATOM 754 O OD2 . ASP A 0 91 . 8.052 16.836 -3.304 1.00 89.74 91 A 1 ATOM 755 N N . ASP A 0 92 . 8.899 12.480 -0.063 1.00 89.78 92 A 1 ATOM 756 C CA . ASP A 0 92 . 8.526 11.734 1.132 1.00 89.78 92 A 1 ATOM 757 C C . ASP A 0 92 . 9.562 10.699 1.579 1.00 89.78 92 A 1 ATOM 758 C CB . ASP A 0 92 . 7.143 11.109 0.916 1.00 89.78 92 A 1 ATOM 759 O O . ASP A 0 92 . 9.362 10.057 2.615 1.00 89.78 92 A 1 ATOM 760 C CG . ASP A 0 92 . 7.005 10.170 -0.294 1.00 89.78 92 A 1 ATOM 761 O OD1 . ASP A 0 92 . 7.979 9.905 -1.029 1.00 89.78 92 A 1 ATOM 762 O OD2 . ASP A 0 92 . 5.857 9.725 -0.495 1.00 89.78 92 A 1 ATOM 763 N N . LEU A 0 93 . 10.660 10.536 0.839 1.00 91.53 93 A 1 ATOM 764 C CA . LEU A 0 93 . 11.743 9.641 1.219 1.00 91.53 93 A 1 ATOM 765 C C . LEU A 0 93 . 12.409 10.115 2.518 1.00 91.53 93 A 1 ATOM 766 C CB . LEU A 0 93 . 12.754 9.521 0.068 1.00 91.53 93 A 1 ATOM 767 O O . LEU A 0 93 . 12.716 11.291 2.695 1.00 91.53 93 A 1 ATOM 768 C CG . LEU A 0 93 . 12.204 8.791 -1.172 1.00 91.53 93 A 1 ATOM 769 C CD1 . LEU A 0 93 . 13.213 8.912 -2.314 1.00 91.53 93 A 1 ATOM 770 C CD2 . LEU A 0 93 . 11.953 7.303 -0.906 1.00 91.53 93 A 1 ATOM 771 N N . ALA A 0 94 . 12.681 9.172 3.423 1.00 87.18 94 A 1 ATOM 772 C CA . ALA A 0 94 . 13.410 9.447 4.664 1.00 87.18 94 A 1 ATOM 773 C C . ALA A 0 94 . 14.908 9.719 4.426 1.00 87.18 94 A 1 ATOM 774 C CB . ALA A 0 94 . 13.199 8.272 5.625 1.00 87.18 94 A 1 ATOM 775 O O . ALA A 0 94 . 15.603 10.187 5.323 1.00 87.18 94 A 1 ATOM 776 N N . TYR A 0 95 . 15.404 9.424 3.223 1.00 78.24 95 A 1 ATOM 777 C CA . TYR A 0 95 . 16.773 9.692 2.804 1.00 78.24 95 A 1 ATOM 778 C C . TYR A 0 95 . 16.875 11.132 2.288 1.00 78.24 95 A 1 ATOM 779 C CB . TYR A 0 95 . 17.199 8.653 1.754 1.00 78.24 95 A 1 ATOM 780 O O . TYR A 0 95 . 16.787 11.378 1.087 1.00 78.24 95 A 1 ATOM 781 C CG . TYR A 0 95 . 16.889 7.216 2.127 1.00 78.24 95 A 1 ATOM 782 C CD1 . TYR A 0 95 . 17.632 6.566 3.131 1.00 78.24 95 A 1 ATOM 783 C CD2 . TYR A 0 95 . 15.844 6.536 1.473 1.00 78.24 95 A 1 ATOM 784 C CE1 . TYR A 0 95 . 17.328 5.236 3.486 1.00 78.24 95 A 1 ATOM 785 C CE2 . TYR A 0 95 . 15.552 5.204 1.812 1.00 78.24 95 A 1 ATOM 786 O OH . TYR A 0 95 . 15.975 3.275 3.166 1.00 78.24 95 A 1 ATOM 787 C CZ . TYR A 0 95 . 16.282 4.554 2.826 1.00 78.24 95 A 1 ATOM 788 N N . GLN A 0 96 . 17.010 12.091 3.200 1.00 62.22 96 A 1 ATOM 789 C CA . GLN A 0 96 . 17.375 13.468 2.858 1.00 62.22 96 A 1 ATOM 790 C C . GLN A 0 96 . 18.886 13.644 3.032 1.00 62.22 96 A 1 ATOM 791 C CB . GLN A 0 96 . 16.555 14.468 3.685 1.00 62.22 96 A 1 ATOM 792 O O . GLN A 0 96 . 19.444 13.104 3.983 1.00 62.22 96 A 1 ATOM 793 C CG . GLN A 0 96 . 15.066 14.393 3.307 1.00 62.22 96 A 1 ATOM 794 C CD . GLN A 0 96 . 14.194 15.430 4.007 1.00 62.22 96 A 1 ATOM 795 N NE2 . GLN A 0 96 . 12.917 15.467 3.694 1.00 62.22 96 A 1 ATOM 796 O OE1 . GLN A 0 96 . 14.614 16.221 4.837 1.00 62.22 96 A 1 ATOM 797 N N . ASP A 0 97 . 19.517 14.345 2.081 1.00 62.59 97 A 1 ATOM 798 C CA . ASP A 0 97 . 20.953 14.667 2.013 1.00 62.59 97 A 1 ATOM 799 C C . ASP A 0 97 . 21.879 13.575 2.574 1.00 62.59 97 A 1 ATOM 800 C CB . ASP A 0 97 . 21.235 16.060 2.616 1.00 62.59 97 A 1 ATOM 801 O O . ASP A 0 97 . 22.460 13.697 3.652 1.00 62.59 97 A 1 ATOM 802 C CG . ASP A 0 97 . 20.960 17.225 1.656 1.00 62.59 97 A 1 ATOM 803 O OD1 . ASP A 0 97 . 20.915 16.988 0.425 1.00 62.59 97 A 1 ATOM 804 O OD2 . ASP A 0 97 . 20.815 18.361 2.158 1.00 62.59 97 A 1 ATOM 805 N N . ASN A 0 98 . 22.069 12.496 1.812 1.00 63.35 98 A 1 ATOM 806 C CA . ASN A 0 98 . 23.236 11.650 2.046 1.00 63.35 98 A 1 ATOM 807 C C . ASN A 0 98 . 24.491 12.480 1.729 1.00 63.35 98 A 1 ATOM 808 C CB . ASN A 0 98 . 23.156 10.379 1.185 1.00 63.35 98 A 1 ATOM 809 O O . ASN A 0 98 . 24.551 13.105 0.665 1.00 63.35 98 A 1 ATOM 810 C CG . ASN A 0 98 . 22.001 9.468 1.563 1.00 63.35 98 A 1 ATOM 811 N ND2 . ASN A 0 98 . 21.367 8.845 0.596 1.00 63.35 98 A 1 ATOM 812 O OD1 . ASN A 0 98 . 21.657 9.265 2.712 1.00 63.35 98 A 1 ATOM 813 N N . GLU A 0 99 . 25.494 12.471 2.614 1.00 64.13 99 A 1 ATOM 814 C CA . GLU A 0 99 . 26.811 13.042 2.307 1.00 64.13 99 A 1 ATOM 815 C C . GLU A 0 99 . 27.286 12.530 0.939 1.00 64.13 99 A 1 ATOM 816 C CB . GLU A 0 99 . 27.856 12.687 3.381 1.00 64.13 99 A 1 ATOM 817 O O . GLU A 0 99 . 27.123 11.349 0.610 1.00 64.13 99 A 1 ATOM 818 C CG . GLU A 0 99 . 27.665 13.457 4.699 1.00 64.13 99 A 1 ATOM 819 C CD . GLU A 0 99 . 28.776 13.185 5.733 1.00 64.13 99 A 1 ATOM 820 O OE1 . GLU A 0 99 . 28.825 13.937 6.734 1.00 64.13 99 A 1 ATOM 821 O OE2 . GLU A 0 99 . 29.574 12.242 5.528 1.00 64.13 99 A 1 ATOM 822 N N . HIS A 0 100 . 27.847 13.424 0.116 1.00 62.33 100 A 1 ATOM 823 C CA . HIS A 0 100 . 28.381 13.044 -1.188 1.00 62.33 100 A 1 ATOM 824 C C . HIS A 0 100 . 29.315 11.842 -1.029 1.00 62.33 100 A 1 ATOM 825 C CB . HIS A 0 100 . 29.151 14.215 -1.820 1.00 62.33 100 A 1 ATOM 826 O O . HIS A 0 100 . 30.255 11.900 -0.237 1.00 62.33 100 A 1 ATOM 827 C CG . HIS A 0 100 . 28.278 15.327 -2.340 1.00 62.33 100 A 1 ATOM 828 C CD2 . HIS A 0 100 . 28.265 16.629 -1.914 1.00 62.33 100 A 1 ATOM 829 N ND1 . HIS A 0 100 . 27.371 15.230 -3.371 1.00 62.33 100 A 1 ATOM 830 C CE1 . HIS A 0 100 . 26.818 16.440 -3.554 1.00 62.33 100 A 1 ATOM 831 N NE2 . HIS A 0 100 . 27.350 17.330 -2.706 1.00 62.33 100 A 1 ATOM 832 N N . CYS A 0 101 . 29.098 10.774 -1.808 1.00 61.05 101 A 1 ATOM 833 C CA . CYS A 0 101 . 30.070 9.689 -1.884 1.00 61.05 101 A 1 ATOM 834 C C . CYS A 0 101 . 31.436 10.288 -2.229 1.00 61.05 101 A 1 ATOM 835 C CB . CYS A 0 101 . 29.670 8.650 -2.944 1.00 61.05 101 A 1 ATOM 836 O O . CYS A 0 101 . 31.633 10.790 -3.342 1.00 61.05 101 A 1 ATOM 837 S SG . CYS A 0 101 . 28.236 7.674 -2.419 1.00 61.05 101 A 1 ATOM 838 N N . ILE A 0 102 . 32.372 10.235 -1.278 1.00 69.65 102 A 1 ATOM 839 C CA . ILE A 0 102 . 33.770 10.551 -1.534 1.00 69.65 102 A 1 ATOM 840 C C . ILE A 0 102 . 34.236 9.503 -2.538 1.00 69.65 102 A 1 ATOM 841 C CB . ILE A 0 102 . 34.616 10.557 -0.238 1.00 69.65 102 A 1 ATOM 842 O O . ILE A 0 102 . 34.357 8.322 -2.220 1.00 69.65 102 A 1 ATOM 843 C CG1 . ILE A 0 102 . 34.034 11.549 0.798 1.00 69.65 102 A 1 ATOM 844 C CG2 . ILE A 0 102 . 36.075 10.919 -0.582 1.00 69.65 102 A 1 ATOM 845 C CD1 . ILE A 0 102 . 34.760 11.544 2.150 1.00 69.65 102 A 1 ATOM 846 N N . LYS A 0 103 . 34.424 9.918 -3.791 1.00 68.27 103 A 1 ATOM 847 C CA . LYS A 0 103 . 35.143 9.097 -4.757 1.00 68.27 103 A 1 ATOM 848 C C . LYS A 0 103 . 36.606 9.160 -4.348 1.00 68.27 103 A 1 ATOM 849 C CB . LYS A 0 103 . 34.917 9.583 -6.197 1.00 68.27 103 A 1 ATOM 850 O O . LYS A 0 103 . 37.297 10.099 -4.745 1.00 68.27 103 A 1 ATOM 851 C CG . LYS A 0 103 . 33.470 9.382 -6.666 1.00 68.27 103 A 1 ATOM 852 C CD . LYS A 0 103 . 33.354 9.659 -8.169 1.00 68.27 103 A 1 ATOM 853 C CE . LYS A 0 103 . 31.907 9.447 -8.622 1.00 68.27 103 A 1 ATOM 854 N NZ . LYS A 0 103 . 31.771 9.582 -10.093 1.00 68.27 103 A 1 ATOM 855 N N . ASP A 0 104 . 37.051 8.213 -3.527 1.00 62.73 104 A 1 ATOM 856 C CA . ASP A 0 104 . 38.484 7.962 -3.415 1.00 62.73 104 A 1 ATOM 857 C C . ASP A 0 104 . 39.010 7.672 -4.827 1.00 62.73 104 A 1 ATOM 858 C CB . ASP A 0 104 . 38.806 6.847 -2.405 1.00 62.73 104 A 1 ATOM 859 O O . ASP A 0 104 . 38.428 6.883 -5.580 1.00 62.73 104 A 1 ATOM 860 C CG . ASP A 0 104 . 39.090 7.405 -1.004 1.00 62.73 104 A 1 ATOM 861 O OD1 . ASP A 0 104 . 39.842 8.404 -0.921 1.00 62.73 104 A 1 ATOM 862 O OD2 . ASP A 0 104 . 38.557 6.831 -0.029 1.00 62.73 104 A 1 ATOM 863 N N . LYS A 0 105 . 40.023 8.449 -5.211 1.00 56.57 105 A 1 ATOM 864 C CA . LYS A 0 105 . 40.701 8.378 -6.507 1.00 56.57 105 A 1 ATOM 865 C C . LYS A 0 105 . 41.659 7.201 -6.563 1.00 56.57 105 A 1 ATOM 866 C CB . LYS A 0 105 . 41.485 9.667 -6.781 1.00 56.57 105 A 1 ATOM 867 O O . LYS A 0 105 . 42.315 6.940 -5.533 1.00 56.57 105 A 1 ATOM 868 C CG . LYS A 0 105 . 40.651 10.740 -7.480 1.00 56.57 105 A 1 ATOM 869 C CD . LYS A 0 105 . 41.562 11.936 -7.769 1.00 56.57 105 A 1 ATOM 870 C CE . LYS A 0 105 . 40.821 12.995 -8.581 1.00 56.57 105 A 1 ATOM 871 N NZ . LYS A 0 105 . 41.685 14.179 -8.802 1.00 56.57 105 A 1 ATOM 872 O OXT . LYS A 0 105 . 41.799 6.704 -7.699 1.00 56.57 105 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 91.00 # loop_ _atom_type.symbol C N O S #