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 MET 0 3 LEU 0 4 ASP 0 5 LEU 0 6 PHE 0 7 ASN 0 8 ARG 0 9 LEU 0 10 PHE 0 11 TYR 0 12 ILE 0 13 LEU 0 14 LEU 0 15 GLU 0 16 ILE 0 17 LEU 0 18 ARG 0 19 MET 0 20 ILE 0 21 PHE 0 22 GLN 0 23 LEU 0 24 HIS 0 25 ASP 0 26 GLU 0 27 PRO 0 28 THR 0 29 PRO 0 30 GLN 0 31 LEU 0 32 ILE 0 33 THR 0 34 SER 0 35 THR 0 36 THR 0 37 ASP 0 38 HIS 0 39 ILE 0 40 THR 0 41 THR 0 42 GLU 0 43 ALA 0 44 ILE 0 45 LYS 0 46 SER 0 47 GLN 0 48 THR 0 49 GLU 0 50 ASN 0 51 VAL 0 52 THR 0 53 HIS 0 54 PRO 0 55 MET 0 56 LEU 0 57 ALA 0 58 VAL 0 59 GLN 0 60 ASP 0 61 VAL 0 62 TYR 0 63 LYS 0 64 ILE 0 65 GLY 0 66 ASN 0 67 GLU 0 68 THR 0 69 LYS 0 70 ARG 0 71 LYS 0 72 LEU 0 73 THR 0 74 TYR 0 75 CYS 0 76 HIS 0 77 MET 0 78 ILE 0 79 ASN 0 80 LYS 0 81 TYR 0 82 GLN 0 83 HIS 0 84 LEU 0 85 PHE 0 86 VAL 0 87 HIS 0 88 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 . 14.888 4.792 -28.248 1.00 67.69 1 A 1 ATOM 2 C CA . MET A 0 1 . 14.843 5.533 -26.966 1.00 67.69 1 A 1 ATOM 3 C C . MET A 0 1 . 13.434 6.017 -26.611 1.00 67.69 1 A 1 ATOM 4 C CB . MET A 0 1 . 15.896 6.650 -26.916 1.00 67.69 1 A 1 ATOM 5 O O . MET A 0 1 . 13.016 5.797 -25.489 1.00 67.69 1 A 1 ATOM 6 C CG . MET A 0 1 . 16.417 6.823 -25.486 1.00 67.69 1 A 1 ATOM 7 S SD . MET A 0 1 . 17.964 7.759 -25.380 1.00 67.69 1 A 1 ATOM 8 C CE . MET A 0 1 . 17.350 9.464 -25.378 1.00 67.69 1 A 1 ATOM 9 N N . MET A 0 2 . 12.666 6.602 -27.543 1.00 74.40 2 A 1 ATOM 10 C CA . MET A 0 2 . 11.300 7.095 -27.264 1.00 74.40 2 A 1 ATOM 11 C C . MET A 0 2 . 10.304 6.002 -26.818 1.00 74.40 2 A 1 ATOM 12 C CB . MET A 0 2 . 10.794 7.829 -28.517 1.00 74.40 2 A 1 ATOM 13 O O . MET A 0 2 . 9.522 6.236 -25.903 1.00 74.40 2 A 1 ATOM 14 C CG . MET A 0 2 . 9.504 8.618 -28.279 1.00 74.40 2 A 1 ATOM 15 S SD . MET A 0 2 . 8.807 9.332 -29.793 1.00 74.40 2 A 1 ATOM 16 C CE . MET A 0 2 . 9.909 10.743 -30.083 1.00 74.40 2 A 1 ATOM 17 N N . LEU A 0 3 . 10.369 4.799 -27.407 1.00 78.33 3 A 1 ATOM 18 C CA . LEU A 0 3 . 9.493 3.674 -27.043 1.00 78.33 3 A 1 ATOM 19 C C . LEU A 0 3 . 9.678 3.225 -25.582 1.00 78.33 3 A 1 ATOM 20 C CB . LEU A 0 3 . 9.755 2.511 -28.023 1.00 78.33 3 A 1 ATOM 21 O O . LEU A 0 3 . 8.707 2.886 -24.922 1.00 78.33 3 A 1 ATOM 22 C CG . LEU A 0 3 . 8.771 1.329 -27.893 1.00 78.33 3 A 1 ATOM 23 C CD1 . LEU A 0 3 . 7.357 1.710 -28.333 1.00 78.33 3 A 1 ATOM 24 C CD2 . LEU A 0 3 . 9.249 0.166 -28.761 1.00 78.33 3 A 1 ATOM 25 N N . ASP A 0 4 . 10.908 3.279 -25.063 1.00 83.48 4 A 1 ATOM 26 C CA . ASP A 0 4 . 11.213 2.929 -23.670 1.00 83.48 4 A 1 ATOM 27 C C . ASP A 0 4 . 10.552 3.907 -22.686 1.00 83.48 4 A 1 ATOM 28 C CB . ASP A 0 4 . 12.736 2.906 -23.495 1.00 83.48 4 A 1 ATOM 29 O O . ASP A 0 4 . 9.926 3.500 -21.709 1.00 83.48 4 A 1 ATOM 30 C CG . ASP A 0 4 . 13.115 2.429 -22.095 1.00 83.48 4 A 1 ATOM 31 O OD1 . ASP A 0 4 . 12.865 1.236 -21.833 1.00 83.48 4 A 1 ATOM 32 O OD2 . ASP A 0 4 . 13.634 3.271 -21.328 1.00 83.48 4 A 1 ATOM 33 N N . LEU A 0 5 . 10.589 5.208 -23.005 1.00 84.59 5 A 1 ATOM 34 C CA . LEU A 0 5 . 9.905 6.234 -22.219 1.00 84.59 5 A 1 ATOM 35 C C . LEU A 0 5 . 8.382 6.049 -22.250 1.00 84.59 5 A 1 ATOM 36 C CB . LEU A 0 5 . 10.308 7.624 -22.744 1.00 84.59 5 A 1 ATOM 37 O O . LEU A 0 5 . 7.738 6.145 -21.206 1.00 84.59 5 A 1 ATOM 38 C CG . LEU A 0 5 . 9.780 8.785 -21.878 1.00 84.59 5 A 1 ATOM 39 C CD1 . LEU A 0 5 . 10.500 8.848 -20.528 1.00 84.59 5 A 1 ATOM 40 C CD2 . LEU A 0 5 . 9.998 10.115 -22.597 1.00 84.59 5 A 1 ATOM 41 N N . PHE A 0 6 . 7.817 5.770 -23.430 1.00 87.87 6 A 1 ATOM 42 C CA . PHE A 0 6 . 6.380 5.540 -23.589 1.00 87.87 6 A 1 ATOM 43 C C . PHE A 0 6 . 5.920 4.303 -22.814 1.00 87.87 6 A 1 ATOM 44 C CB . PHE A 0 6 . 6.031 5.418 -25.076 1.00 87.87 6 A 1 ATOM 45 O O . PHE A 0 6 . 4.944 4.374 -22.074 1.00 87.87 6 A 1 ATOM 46 C CG . PHE A 0 6 . 4.538 5.310 -25.317 1.00 87.87 6 A 1 ATOM 47 C CD1 . PHE A 0 6 . 3.927 4.050 -25.466 1.00 87.87 6 A 1 ATOM 48 C CD2 . PHE A 0 6 . 3.750 6.477 -25.344 1.00 87.87 6 A 1 ATOM 49 C CE1 . PHE A 0 6 . 2.536 3.960 -25.650 1.00 87.87 6 A 1 ATOM 50 C CE2 . PHE A 0 6 . 2.359 6.386 -25.530 1.00 87.87 6 A 1 ATOM 51 C CZ . PHE A 0 6 . 1.752 5.127 -25.684 1.00 87.87 6 A 1 ATOM 52 N N . ASN A 0 7 . 6.669 3.202 -22.908 1.00 87.17 7 A 1 ATOM 53 C CA . ASN A 0 7 . 6.391 1.987 -22.150 1.00 87.17 7 A 1 ATOM 54 C C . ASN A 0 7 . 6.453 2.254 -20.645 1.00 87.17 7 A 1 ATOM 55 C CB . ASN A 0 7 . 7.388 0.895 -22.564 1.00 87.17 7 A 1 ATOM 56 O O . ASN A 0 7 . 5.535 1.878 -19.922 1.00 87.17 7 A 1 ATOM 57 C CG . ASN A 0 7 . 7.125 0.349 -23.955 1.00 87.17 7 A 1 ATOM 58 N ND2 . ASN A 0 7 . 8.105 -0.289 -24.549 1.00 87.17 7 A 1 ATOM 59 O OD1 . ASN A 0 7 . 6.050 0.448 -24.516 1.00 87.17 7 A 1 ATOM 60 N N . ARG A 0 8 . 7.485 2.962 -20.166 1.00 90.11 8 A 1 ATOM 61 C CA . ARG A 0 8 . 7.599 3.315 -18.745 1.00 90.11 8 A 1 ATOM 62 C C . ARG A 0 8 . 6.410 4.150 -18.268 1.00 90.11 8 A 1 ATOM 63 C CB . ARG A 0 8 . 8.941 4.017 -18.494 1.00 90.11 8 A 1 ATOM 64 O O . ARG A 0 8 . 5.880 3.882 -17.195 1.00 90.11 8 A 1 ATOM 65 C CG . ARG A 0 8 . 9.234 4.092 -16.989 1.00 90.11 8 A 1 ATOM 66 C CD . ARG A 0 8 . 10.644 4.619 -16.702 1.00 90.11 8 A 1 ATOM 67 N NE . ARG A 0 8 . 10.729 6.089 -16.826 1.00 90.11 8 A 1 ATOM 68 N NH1 . ARG A 0 8 . 12.538 6.220 -18.244 1.00 90.11 8 A 1 ATOM 69 N NH2 . ARG A 0 8 . 11.675 8.081 -17.359 1.00 90.11 8 A 1 ATOM 70 C CZ . ARG A 0 8 . 11.645 6.782 -17.476 1.00 90.11 8 A 1 ATOM 71 N N . LEU A 0 9 . 5.970 5.125 -19.066 1.00 90.48 9 A 1 ATOM 72 C CA . LEU A 0 9 . 4.787 5.930 -18.757 1.00 90.48 9 A 1 ATOM 73 C C . LEU A 0 9 . 3.507 5.080 -18.733 1.00 90.48 9 A 1 ATOM 74 C CB . LEU A 0 9 . 4.691 7.084 -19.771 1.00 90.48 9 A 1 ATOM 75 O O . LEU A 0 9 . 2.696 5.227 -17.822 1.00 90.48 9 A 1 ATOM 76 C CG . LEU A 0 9 . 3.523 8.053 -19.506 1.00 90.48 9 A 1 ATOM 77 C CD1 . LEU A 0 9 . 3.650 8.754 -18.152 1.00 90.48 9 A 1 ATOM 78 C CD2 . LEU A 0 9 . 3.494 9.120 -20.600 1.00 90.48 9 A 1 ATOM 79 N N . PHE A 0 10 . 3.353 4.166 -19.692 1.00 91.65 10 A 1 ATOM 80 C CA . PHE A 0 10 . 2.217 3.250 -19.766 1.00 91.65 10 A 1 ATOM 81 C C . PHE A 0 10 . 2.134 2.334 -18.534 1.00 91.65 10 A 1 ATOM 82 C CB . PHE A 0 10 . 2.318 2.457 -21.075 1.00 91.65 10 A 1 ATOM 83 O O . PHE A 0 10 . 1.062 2.203 -17.946 1.00 91.65 10 A 1 ATOM 84 C CG . PHE A 0 10 . 1.146 1.532 -21.319 1.00 91.65 10 A 1 ATOM 85 C CD1 . PHE A 0 10 . 1.273 0.151 -21.085 1.00 91.65 10 A 1 ATOM 86 C CD2 . PHE A 0 10 . -0.076 2.058 -21.778 1.00 91.65 10 A 1 ATOM 87 C CE1 . PHE A 0 10 . 0.183 -0.703 -21.328 1.00 91.65 10 A 1 ATOM 88 C CE2 . PHE A 0 10 . -1.171 1.205 -21.998 1.00 91.65 10 A 1 ATOM 89 C CZ . PHE A 0 10 . -1.042 -0.176 -21.772 1.00 91.65 10 A 1 ATOM 90 N N . TYR A 0 11 . 3.260 1.777 -18.076 1.00 90.70 11 A 1 ATOM 91 C CA . TYR A 0 11 . 3.302 0.960 -16.856 1.00 90.70 11 A 1 ATOM 92 C C . TYR A 0 11 . 2.939 1.754 -15.594 1.00 90.70 11 A 1 ATOM 93 C CB . TYR A 0 11 . 4.682 0.304 -16.702 1.00 90.70 11 A 1 ATOM 94 O O . TYR A 0 11 . 2.195 1.251 -14.756 1.00 90.70 11 A 1 ATOM 95 C CG . TYR A 0 11 . 4.906 -0.880 -17.623 1.00 90.70 11 A 1 ATOM 96 C CD1 . TYR A 0 11 . 4.140 -2.049 -17.451 1.00 90.70 11 A 1 ATOM 97 C CD2 . TYR A 0 11 . 5.888 -0.834 -18.631 1.00 90.70 11 A 1 ATOM 98 C CE1 . TYR A 0 11 . 4.331 -3.152 -18.304 1.00 90.70 11 A 1 ATOM 99 C CE2 . TYR A 0 11 . 6.069 -1.924 -19.502 1.00 90.70 11 A 1 ATOM 100 O OH . TYR A 0 11 . 5.465 -4.151 -20.163 1.00 90.70 11 A 1 ATOM 101 C CZ . TYR A 0 11 . 5.286 -3.087 -19.338 1.00 90.70 11 A 1 ATOM 102 N N . ILE A 0 12 . 3.404 3.003 -15.469 1.00 92.74 12 A 1 ATOM 103 C CA . ILE A 0 12 . 3.041 3.874 -14.336 1.00 92.74 12 A 1 ATOM 104 C C . ILE A 0 12 . 1.531 4.149 -14.327 1.00 92.74 12 A 1 ATOM 105 C CB . ILE A 0 12 . 3.860 5.187 -14.380 1.00 92.74 12 A 1 ATOM 106 O O . ILE A 0 12 . 0.900 4.093 -13.273 1.00 92.74 12 A 1 ATOM 107 C CG1 . ILE A 0 12 . 5.358 4.901 -14.117 1.00 92.74 12 A 1 ATOM 108 C CG2 . ILE A 0 12 . 3.345 6.208 -13.347 1.00 92.74 12 A 1 ATOM 109 C CD1 . ILE A 0 12 . 6.285 6.052 -14.534 1.00 92.74 12 A 1 ATOM 110 N N . LEU A 0 13 . 0.941 4.415 -15.497 1.00 93.85 13 A 1 ATOM 111 C CA . LEU A 0 13 . -0.496 4.656 -15.618 1.00 93.85 13 A 1 ATOM 112 C C . LEU A 0 13 . -1.320 3.420 -15.219 1.00 93.85 13 A 1 ATOM 113 C CB . LEU A 0 13 . -0.798 5.109 -17.057 1.00 93.85 13 A 1 ATOM 114 O O . LEU A 0 13 . -2.310 3.558 -14.500 1.00 93.85 13 A 1 ATOM 115 C CG . LEU A 0 13 . -2.268 5.500 -17.293 1.00 93.85 13 A 1 ATOM 116 C CD1 . LEU A 0 13 . -2.667 6.745 -16.497 1.00 93.85 13 A 1 ATOM 117 C CD2 . LEU A 0 13 . -2.485 5.789 -18.778 1.00 93.85 13 A 1 ATOM 118 N N . LEU A 0 14 . -0.896 2.225 -15.646 1.00 92.69 14 A 1 ATOM 119 C CA . LEU A 0 14 . -1.543 0.964 -15.271 1.00 92.69 14 A 1 ATOM 120 C C . LEU A 0 14 . -1.502 0.710 -13.757 1.00 92.69 14 A 1 ATOM 121 C CB . LEU A 0 14 . -0.884 -0.205 -16.025 1.00 92.69 14 A 1 ATOM 122 O O . LEU A 0 14 . -2.511 0.295 -13.191 1.00 92.69 14 A 1 ATOM 123 C CG . LEU A 0 14 . -1.268 -0.338 -17.509 1.00 92.69 14 A 1 ATOM 124 C CD1 . LEU A 0 14 . -0.460 -1.489 -18.110 1.00 92.69 14 A 1 ATOM 125 C CD2 . LEU A 0 14 . -2.753 -0.656 -17.705 1.00 92.69 14 A 1 ATOM 126 N N . GLU A 0 15 . -0.381 0.994 -13.091 1.00 91.18 15 A 1 ATOM 127 C CA . GLU A 0 15 . -0.253 0.819 -11.635 1.00 91.18 15 A 1 ATOM 128 C C . GLU A 0 15 . -1.160 1.778 -10.848 1.00 91.18 15 A 1 ATOM 129 C CB . GLU A 0 15 . 1.217 0.991 -11.218 1.00 91.18 15 A 1 ATOM 130 O O . GLU A 0 15 . -1.826 1.357 -9.901 1.00 91.18 15 A 1 ATOM 131 C CG . GLU A 0 15 . 2.062 -0.260 -11.510 1.00 91.18 15 A 1 ATOM 132 C CD . GLU A 0 15 . 1.737 -1.415 -10.542 1.00 91.18 15 A 1 ATOM 133 O OE1 . GLU A 0 15 . 1.054 -2.392 -10.944 1.00 91.18 15 A 1 ATOM 134 O OE2 . GLU A 0 15 . 2.165 -1.335 -9.371 1.00 91.18 15 A 1 ATOM 135 N N . ILE A 0 16 . -1.261 3.046 -11.268 1.00 91.41 16 A 1 ATOM 136 C CA . ILE A 0 16 . -2.183 4.017 -10.650 1.00 91.41 16 A 1 ATOM 137 C C . ILE A 0 16 . -3.633 3.549 -10.808 1.00 91.41 16 A 1 ATOM 138 C CB . ILE A 0 16 . -1.979 5.427 -11.252 1.00 91.41 16 A 1 ATOM 139 O O . ILE A 0 16 . -4.401 3.572 -9.845 1.00 91.41 16 A 1 ATOM 140 C CG1 . ILE A 0 16 . -0.585 5.977 -10.872 1.00 91.41 16 A 1 ATOM 141 C CG2 . ILE A 0 16 . -3.074 6.403 -10.773 1.00 91.41 16 A 1 ATOM 142 C CD1 . ILE A 0 16 . -0.168 7.209 -11.686 1.00 91.41 16 A 1 ATOM 143 N N . LEU A 0 17 . -4.005 3.094 -12.007 1.00 90.13 17 A 1 ATOM 144 C CA . LEU A 0 17 . -5.351 2.601 -12.285 1.00 90.13 17 A 1 ATOM 145 C C . LEU A 0 17 . -5.686 1.372 -11.425 1.00 90.13 17 A 1 ATOM 146 C CB . LEU A 0 17 . -5.450 2.317 -13.794 1.00 90.13 17 A 1 ATOM 147 O O . LEU A 0 17 . -6.771 1.301 -10.849 1.00 90.13 17 A 1 ATOM 148 C CG . LEU A 0 17 . -6.855 1.903 -14.249 1.00 90.13 17 A 1 ATOM 149 C CD1 . LEU A 0 17 . -7.880 3.027 -14.072 1.00 90.13 17 A 1 ATOM 150 C CD2 . LEU A 0 17 . -6.829 1.498 -15.723 1.00 90.13 17 A 1 ATOM 151 N N . ARG A 0 18 . -4.737 0.439 -11.277 1.00 87.92 18 A 1 ATOM 152 C CA . ARG A 0 18 . -4.882 -0.741 -10.414 1.00 87.92 18 A 1 ATOM 153 C C . ARG A 0 18 . -5.104 -0.354 -8.952 1.00 87.92 18 A 1 ATOM 154 C CB . ARG A 0 18 . -3.639 -1.627 -10.571 1.00 87.92 18 A 1 ATOM 155 O O . ARG A 0 18 . -5.986 -0.916 -8.312 1.00 87.92 18 A 1 ATOM 156 C CG . ARG A 0 18 . -3.842 -3.011 -9.942 1.00 87.92 18 A 1 ATOM 157 C CD . ARG A 0 18 . -2.539 -3.817 -10.005 1.00 87.92 18 A 1 ATOM 158 N NE . ARG A 0 18 . -2.050 -4.152 -8.658 1.00 87.92 18 A 1 ATOM 159 N NH1 . ARG A 0 18 . 0.149 -4.537 -9.228 1.00 87.92 18 A 1 ATOM 160 N NH2 . ARG A 0 18 . -0.546 -4.888 -7.137 1.00 87.92 18 A 1 ATOM 161 C CZ . ARG A 0 18 . -0.823 -4.529 -8.360 1.00 87.92 18 A 1 ATOM 162 N N . MET A 0 19 . -4.346 0.616 -8.440 1.00 85.40 19 A 1 ATOM 163 C CA . MET A 0 19 . -4.484 1.095 -7.062 1.00 85.40 19 A 1 ATOM 164 C C . MET A 0 19 . -5.866 1.714 -6.806 1.00 85.40 19 A 1 ATOM 165 C CB . MET A 0 19 . -3.361 2.102 -6.775 1.00 85.40 19 A 1 ATOM 166 O O . MET A 0 19 . -6.463 1.474 -5.759 1.00 85.40 19 A 1 ATOM 167 C CG . MET A 0 19 . -3.278 2.461 -5.288 1.00 85.40 19 A 1 ATOM 168 S SD . MET A 0 19 . -1.875 3.530 -4.855 1.00 85.40 19 A 1 ATOM 169 C CE . MET A 0 19 . -2.460 5.119 -5.499 1.00 85.40 19 A 1 ATOM 170 N N . ILE A 0 20 . -6.398 2.468 -7.774 1.00 84.53 20 A 1 ATOM 171 C CA . ILE A 0 20 . -7.744 3.052 -7.686 1.00 84.53 20 A 1 ATOM 172 C C . ILE A 0 20 . -8.811 1.953 -7.656 1.00 84.53 20 A 1 ATOM 173 C CB . ILE A 0 20 . -7.982 4.054 -8.839 1.00 84.53 20 A 1 ATOM 174 O O . ILE A 0 20 . -9.714 2.022 -6.827 1.00 84.53 20 A 1 ATOM 175 C CG1 . ILE A 0 20 . -7.053 5.280 -8.680 1.00 84.53 20 A 1 ATOM 176 C CG2 . ILE A 0 20 . -9.452 4.518 -8.882 1.00 84.53 20 A 1 ATOM 177 C CD1 . ILE A 0 20 . -6.963 6.151 -9.939 1.00 84.53 20 A 1 ATOM 178 N N . PHE A 0 21 . -8.700 0.929 -8.511 1.00 80.67 21 A 1 ATOM 179 C CA . PHE A 0 21 . -9.649 -0.189 -8.508 1.00 80.67 21 A 1 ATOM 180 C C . PHE A 0 21 . -9.620 -0.975 -7.194 1.00 80.67 21 A 1 ATOM 181 C CB . PHE A 0 21 . -9.407 -1.105 -9.715 1.00 80.67 21 A 1 ATOM 182 O O . PHE A 0 21 . -10.678 -1.249 -6.643 1.00 80.67 21 A 1 ATOM 183 C CG . PHE A 0 21 . -9.958 -0.564 -11.021 1.00 80.67 21 A 1 ATOM 184 C CD1 . PHE A 0 21 . -11.334 -0.287 -11.135 1.00 80.67 21 A 1 ATOM 185 C CD2 . PHE A 0 21 . -9.124 -0.394 -12.141 1.00 80.67 21 A 1 ATOM 186 C CE1 . PHE A 0 21 . -11.866 0.194 -12.344 1.00 80.67 21 A 1 ATOM 187 C CE2 . PHE A 0 21 . -9.666 0.055 -13.361 1.00 80.67 21 A 1 ATOM 188 C CZ . PHE A 0 21 . -11.031 0.368 -13.458 1.00 80.67 21 A 1 ATOM 189 N N . GLN A 0 22 . -8.437 -1.238 -6.630 1.00 73.73 22 A 1 ATOM 190 C CA . GLN A 0 22 . -8.316 -1.918 -5.334 1.00 73.73 22 A 1 ATOM 191 C C . GLN A 0 22 . -8.961 -1.138 -4.181 1.00 73.73 22 A 1 ATOM 192 C CB . GLN A 0 22 . -6.835 -2.161 -5.016 1.00 73.73 22 A 1 ATOM 193 O O . GLN A 0 22 . -9.517 -1.751 -3.275 1.00 73.73 22 A 1 ATOM 194 C CG . GLN A 0 22 . -6.236 -3.257 -5.903 1.00 73.73 22 A 1 ATOM 195 C CD . GLN A 0 22 . -4.778 -3.541 -5.563 1.00 73.73 22 A 1 ATOM 196 N NE2 . GLN A 0 22 . -4.386 -4.796 -5.518 1.00 73.73 22 A 1 ATOM 197 O OE1 . GLN A 0 22 . -3.945 -2.679 -5.342 1.00 73.73 22 A 1 ATOM 198 N N . LEU A 0 23 . -8.902 0.198 -4.212 1.00 70.20 23 A 1 ATOM 199 C CA . LEU A 0 23 . -9.592 1.042 -3.233 1.00 70.20 23 A 1 ATOM 200 C C . LEU A 0 23 . -11.114 1.013 -3.437 1.00 70.20 23 A 1 ATOM 201 C CB . LEU A 0 23 . -9.043 2.474 -3.360 1.00 70.20 23 A 1 ATOM 202 O O . LEU A 0 23 . -11.874 1.104 -2.479 1.00 70.20 23 A 1 ATOM 203 C CG . LEU A 0 23 . -9.506 3.418 -2.234 1.00 70.20 23 A 1 ATOM 204 C CD1 . LEU A 0 23 . -8.827 3.086 -0.904 1.00 70.20 23 A 1 ATOM 205 C CD2 . LEU A 0 23 . -9.155 4.861 -2.602 1.00 70.20 23 A 1 ATOM 206 N N . HIS A 0 24 . -11.563 0.895 -4.687 1.00 62.45 24 A 1 ATOM 207 C CA . HIS A 0 24 . -12.984 0.840 -5.023 1.00 62.45 24 A 1 ATOM 208 C C . HIS A 0 24 . -13.628 -0.517 -4.713 1.00 62.45 24 A 1 ATOM 209 C CB . HIS A 0 24 . -13.174 1.229 -6.496 1.00 62.45 24 A 1 ATOM 210 O O . HIS A 0 24 . -14.832 -0.568 -4.461 1.00 62.45 24 A 1 ATOM 211 C CG . HIS A 0 24 . -14.144 2.366 -6.637 1.00 62.45 24 A 1 ATOM 212 C CD2 . HIS A 0 24 . -13.845 3.669 -6.923 1.00 62.45 24 A 1 ATOM 213 N ND1 . HIS A 0 24 . -15.494 2.293 -6.406 1.00 62.45 24 A 1 ATOM 214 C CE1 . HIS A 0 24 . -16.005 3.524 -6.569 1.00 62.45 24 A 1 ATOM 215 N NE2 . HIS A 0 24 . -15.039 4.401 -6.893 1.00 62.45 24 A 1 ATOM 216 N N . ASP A 0 25 . -12.826 -1.582 -4.708 1.00 58.89 25 A 1 ATOM 217 C CA . ASP A 0 25 . -13.214 -2.927 -4.278 1.00 58.89 25 A 1 ATOM 218 C C . ASP A 0 25 . -13.179 -3.094 -2.749 1.00 58.89 25 A 1 ATOM 219 C CB . ASP A 0 25 . -12.316 -3.972 -4.965 1.00 58.89 25 A 1 ATOM 220 O O . ASP A 0 25 . -13.500 -4.175 -2.245 1.00 58.89 25 A 1 ATOM 221 C CG . ASP A 0 25 . -12.579 -4.137 -6.467 1.00 58.89 25 A 1 ATOM 222 O OD1 . ASP A 0 25 . -13.748 -3.988 -6.894 1.00 58.89 25 A 1 ATOM 223 O OD2 . ASP A 0 25 . -11.607 -4.483 -7.181 1.00 58.89 25 A 1 ATOM 224 N N . GLU A 0 26 . -12.820 -2.051 -1.984 1.00 52.93 26 A 1 ATOM 225 C CA . GLU A 0 26 . -13.006 -2.085 -0.536 1.00 52.93 26 A 1 ATOM 226 C C . GLU A 0 26 . -14.505 -2.284 -0.261 1.00 52.93 26 A 1 ATOM 227 C CB . GLU A 0 26 . -12.423 -0.846 0.170 1.00 52.93 26 A 1 ATOM 228 O O . GLU A 0 26 . -15.337 -1.502 -0.741 1.00 52.93 26 A 1 ATOM 229 C CG . GLU A 0 26 . -12.321 -1.079 1.692 1.00 52.93 26 A 1 ATOM 230 C CD . GLU A 0 26 . -11.527 0.004 2.447 1.00 52.93 26 A 1 ATOM 231 O OE1 . GLU A 0 26 . -11.911 0.306 3.603 1.00 52.93 26 A 1 ATOM 232 O OE2 . GLU A 0 26 . -10.502 0.484 1.913 1.00 52.93 26 A 1 ATOM 233 N N . PRO A 0 27 . -14.889 -3.360 0.452 1.00 54.62 27 A 1 ATOM 234 C CA . PRO A 0 27 . -16.286 -3.673 0.674 1.00 54.62 27 A 1 ATOM 235 C C . PRO A 0 27 . -16.927 -2.471 1.353 1.00 54.62 27 A 1 ATOM 236 C CB . PRO A 0 27 . -16.307 -4.944 1.532 1.00 54.62 27 A 1 ATOM 237 O O . PRO A 0 27 . -16.528 -2.094 2.454 1.00 54.62 27 A 1 ATOM 238 C CG . PRO A 0 27 . -14.926 -4.969 2.187 1.00 54.62 27 A 1 ATOM 239 C CD . PRO A 0 27 . -14.035 -4.306 1.146 1.00 54.62 27 A 1 ATOM 240 N N . THR A 0 28 . -17.923 -1.877 0.681 1.00 56.84 28 A 1 ATOM 241 C CA . THR A 0 28 . -18.810 -0.873 1.277 1.00 56.84 28 A 1 ATOM 242 C C . THR A 0 28 . -19.141 -1.367 2.679 1.00 56.84 28 A 1 ATOM 243 C CB . THR A 0 28 . -20.109 -0.751 0.468 1.00 56.84 28 A 1 ATOM 244 O O . THR A 0 28 . -19.665 -2.484 2.777 1.00 56.84 28 A 1 ATOM 245 C CG2 . THR A 0 28 . -21.102 0.253 1.057 1.00 56.84 28 A 1 ATOM 246 O OG1 . THR A 0 28 . -19.812 -0.310 -0.835 1.00 56.84 28 A 1 ATOM 247 N N . PRO A 0 29 . -18.777 -0.634 3.752 1.00 51.45 29 A 1 ATOM 248 C CA . PRO A 0 29 . -18.987 -1.112 5.104 1.00 51.45 29 A 1 ATOM 249 C C . PRO A 0 29 . -20.465 -1.441 5.206 1.00 51.45 29 A 1 ATOM 250 C CB . PRO A 0 29 . -18.524 0.007 6.044 1.00 51.45 29 A 1 ATOM 251 O O . PRO A 0 29 . -21.310 -0.557 5.054 1.00 51.45 29 A 1 ATOM 252 C CG . PRO A 0 29 . -18.486 1.249 5.156 1.00 51.45 29 A 1 ATOM 253 C CD . PRO A 0 29 . -18.183 0.690 3.769 1.00 51.45 29 A 1 ATOM 254 N N . GLN A 0 30 . -20.764 -2.735 5.345 1.00 49.37 30 A 1 ATOM 255 C CA . GLN A 0 30 . -22.127 -3.199 5.505 1.00 49.37 30 A 1 ATOM 256 C C . GLN A 0 30 . -22.653 -2.416 6.694 1.00 49.37 30 A 1 ATOM 257 C CB . GLN A 0 30 . -22.187 -4.716 5.745 1.00 49.37 30 A 1 ATOM 258 O O . GLN A 0 30 . -22.138 -2.551 7.806 1.00 49.37 30 A 1 ATOM 259 C CG . GLN A 0 30 . -21.787 -5.514 4.494 1.00 49.37 30 A 1 ATOM 260 C CD . GLN A 0 30 . -21.853 -7.024 4.710 1.00 49.37 30 A 1 ATOM 261 N NE2 . GLN A 0 30 . -20.976 -7.782 4.089 1.00 49.37 30 A 1 ATOM 262 O OE1 . GLN A 0 30 . -22.680 -7.559 5.427 1.00 49.37 30 A 1 ATOM 263 N N . LEU A 0 31 . -23.605 -1.523 6.432 1.00 48.87 31 A 1 ATOM 264 C CA . LEU A 0 31 . -24.358 -0.863 7.472 1.00 48.87 31 A 1 ATOM 265 C C . LEU A 0 31 . -25.041 -2.004 8.214 1.00 48.87 31 A 1 ATOM 266 C CB . LEU A 0 31 . -25.338 0.135 6.827 1.00 48.87 31 A 1 ATOM 267 O O . LEU A 0 31 . -26.060 -2.521 7.762 1.00 48.87 31 A 1 ATOM 268 C CG . LEU A 0 31 . -26.160 0.946 7.846 1.00 48.87 31 A 1 ATOM 269 C CD1 . LEU A 0 31 . -25.308 2.017 8.533 1.00 48.87 31 A 1 ATOM 270 C CD2 . LEU A 0 31 . -27.320 1.643 7.135 1.00 48.87 31 A 1 ATOM 271 N N . ILE A 0 32 . -24.426 -2.456 9.305 1.00 50.06 32 A 1 ATOM 272 C CA . ILE A 0 32 . -25.049 -3.385 10.228 1.00 50.06 32 A 1 ATOM 273 C C . ILE A 0 32 . -26.165 -2.555 10.841 1.00 50.06 32 A 1 ATOM 274 C CB . ILE A 0 32 . -24.069 -3.969 11.279 1.00 50.06 32 A 1 ATOM 275 O O . ILE A 0 32 . -25.961 -1.807 11.799 1.00 50.06 32 A 1 ATOM 276 C CG1 . ILE A 0 32 . -22.690 -4.334 10.683 1.00 50.06 32 A 1 ATOM 277 C CG2 . ILE A 0 32 . -24.735 -5.201 11.923 1.00 50.06 32 A 1 ATOM 278 C CD1 . ILE A 0 32 . -21.670 -4.832 11.714 1.00 50.06 32 A 1 ATOM 279 N N . THR A 0 33 . -27.339 -2.595 10.217 1.00 45.27 33 A 1 ATOM 280 C CA . THR A 0 33 . -28.572 -2.160 10.843 1.00 45.27 33 A 1 ATOM 281 C C . THR A 0 33 . -28.724 -3.075 12.042 1.00 45.27 33 A 1 ATOM 282 C CB . THR A 0 33 . -29.769 -2.255 9.884 1.00 45.27 33 A 1 ATOM 283 O O . THR A 0 33 . -29.140 -4.223 11.902 1.00 45.27 33 A 1 ATOM 284 C CG2 . THR A 0 33 . -29.672 -1.207 8.774 1.00 45.27 33 A 1 ATOM 285 O OG1 . THR A 0 33 . -29.820 -3.520 9.268 1.00 45.27 33 A 1 ATOM 286 N N . SER A 0 34 . -28.262 -2.595 13.200 1.00 45.92 34 A 1 ATOM 287 C CA . SER A 0 34 . -28.519 -3.209 14.494 1.00 45.92 34 A 1 ATOM 288 C C . SER A 0 34 . -29.983 -3.602 14.500 1.00 45.92 34 A 1 ATOM 289 C CB . SER A 0 34 . -28.242 -2.195 15.608 1.00 45.92 34 A 1 ATOM 290 O O . SER A 0 34 . -30.834 -2.727 14.313 1.00 45.92 34 A 1 ATOM 291 O OG . SER A 0 34 . -28.520 -2.745 16.879 1.00 45.92 34 A 1 ATOM 292 N N . THR A 0 35 . -30.244 -4.898 14.642 1.00 48.10 35 A 1 ATOM 293 C CA . THR A 0 35 . -31.565 -5.510 14.706 1.00 48.10 35 A 1 ATOM 294 C C . THR A 0 35 . -32.337 -4.848 15.837 1.00 48.10 35 A 1 ATOM 295 C CB . THR A 0 35 . -31.468 -7.044 14.888 1.00 48.10 35 A 1 ATOM 296 O O . THR A 0 35 . -32.329 -5.275 16.985 1.00 48.10 35 A 1 ATOM 297 C CG2 . THR A 0 35 . -32.096 -7.774 13.710 1.00 48.10 35 A 1 ATOM 298 O OG1 . THR A 0 35 . -30.126 -7.496 14.927 1.00 48.10 35 A 1 ATOM 299 N N . THR A 0 36 . -32.973 -3.731 15.509 1.00 48.42 36 A 1 ATOM 300 C CA . THR A 0 36 . -33.983 -3.078 16.329 1.00 48.42 36 A 1 ATOM 301 C C . THR A 0 36 . -35.310 -3.698 15.917 1.00 48.42 36 A 1 ATOM 302 C CB . THR A 0 36 . -33.923 -1.552 16.189 1.00 48.42 36 A 1 ATOM 303 O O . THR A 0 36 . -36.267 -3.016 15.562 1.00 48.42 36 A 1 ATOM 304 C CG2 . THR A 0 36 . -34.720 -0.856 17.282 1.00 48.42 36 A 1 ATOM 305 O OG1 . THR A 0 36 . -32.589 -1.111 16.334 1.00 48.42 36 A 1 ATOM 306 N N . ASP A 0 37 . -35.333 -5.029 15.910 1.00 42.02 37 A 1 ATOM 307 C CA . ASP A 0 37 . -36.564 -5.782 15.871 1.00 42.02 37 A 1 ATOM 308 C C . ASP A 0 37 . -37.223 -5.528 17.229 1.00 42.02 37 A 1 ATOM 309 C CB . ASP A 0 37 . -36.291 -7.270 15.580 1.00 42.02 37 A 1 ATOM 310 O O . ASP A 0 37 . -36.702 -5.915 18.274 1.00 42.02 37 A 1 ATOM 311 C CG . ASP A 0 37 . -35.876 -7.541 14.125 1.00 42.02 37 A 1 ATOM 312 O OD1 . ASP A 0 37 . -36.260 -6.742 13.241 1.00 42.02 37 A 1 ATOM 313 O OD2 . ASP A 0 37 . -35.171 -8.551 13.910 1.00 42.02 37 A 1 ATOM 314 N N . HIS A 0 38 . -38.349 -4.812 17.193 1.00 47.19 38 A 1 ATOM 315 C CA . HIS A 0 38 . -39.296 -4.585 18.293 1.00 47.19 38 A 1 ATOM 316 C C . HIS A 0 38 . -39.189 -3.322 19.158 1.00 47.19 38 A 1 ATOM 317 C CB . HIS A 0 38 . -39.518 -5.848 19.146 1.00 47.19 38 A 1 ATOM 318 O O . HIS A 0 38 . -39.862 -3.280 20.189 1.00 47.19 38 A 1 ATOM 319 C CG . HIS A 0 38 . -39.748 -7.087 18.334 1.00 47.19 38 A 1 ATOM 320 C CD2 . HIS A 0 38 . -38.926 -8.177 18.248 1.00 47.19 38 A 1 ATOM 321 N ND1 . HIS A 0 38 . -40.825 -7.314 17.511 1.00 47.19 38 A 1 ATOM 322 C CE1 . HIS A 0 38 . -40.660 -8.520 16.945 1.00 47.19 38 A 1 ATOM 323 N NE2 . HIS A 0 38 . -39.527 -9.089 17.375 1.00 47.19 38 A 1 ATOM 324 N N . ILE A 0 39 . -38.520 -2.232 18.749 1.00 48.76 39 A 1 ATOM 325 C CA . ILE A 0 39 . -38.869 -0.930 19.365 1.00 48.76 39 A 1 ATOM 326 C C . ILE A 0 39 . -40.188 -0.443 18.757 1.00 48.76 39 A 1 ATOM 327 C CB . ILE A 0 39 . -37.736 0.113 19.413 1.00 48.76 39 A 1 ATOM 328 O O . ILE A 0 39 . -40.245 0.406 17.869 1.00 48.76 39 A 1 ATOM 329 C CG1 . ILE A 0 39 . -36.505 -0.483 20.131 1.00 48.76 39 A 1 ATOM 330 C CG2 . ILE A 0 39 . -38.228 1.338 20.214 1.00 48.76 39 A 1 ATOM 331 C CD1 . ILE A 0 39 . -35.326 0.492 20.265 1.00 48.76 39 A 1 ATOM 332 N N . THR A 0 40 . -41.273 -1.040 19.244 1.00 45.50 40 A 1 ATOM 333 C CA . THR A 0 40 . -42.645 -0.596 19.043 1.00 45.50 40 A 1 ATOM 334 C C . THR A 0 40 . -42.718 0.875 19.440 1.00 45.50 40 A 1 ATOM 335 C CB . THR A 0 40 . -43.598 -1.441 19.906 1.00 45.50 40 A 1 ATOM 336 O O . THR A 0 40 . -42.367 1.241 20.561 1.00 45.50 40 A 1 ATOM 337 C CG2 . THR A 0 40 . -45.064 -1.252 19.525 1.00 45.50 40 A 1 ATOM 338 O OG1 . THR A 0 40 . -43.310 -2.809 19.728 1.00 45.50 40 A 1 ATOM 339 N N . THR A 0 41 . -43.175 1.725 18.522 1.00 53.17 41 A 1 ATOM 340 C CA . THR A 0 41 . -43.285 3.191 18.662 1.00 53.17 41 A 1 ATOM 341 C C . THR A 0 41 . -44.049 3.638 19.925 1.00 53.17 41 A 1 ATOM 342 C CB . THR A 0 41 . -43.966 3.721 17.388 1.00 53.17 41 A 1 ATOM 343 O O . THR A 0 41 . -43.887 4.760 20.395 1.00 53.17 41 A 1 ATOM 344 C CG2 . THR A 0 41 . -43.919 5.236 17.222 1.00 53.17 41 A 1 ATOM 345 O OG1 . THR A 0 41 . -43.335 3.169 16.249 1.00 53.17 41 A 1 ATOM 346 N N . GLU A 0 42 . -44.818 2.733 20.527 1.00 47.96 42 A 1 ATOM 347 C CA . GLU A 0 42 . -45.530 2.886 21.798 1.00 47.96 42 A 1 ATOM 348 C C . GLU A 0 42 . -44.587 2.956 23.027 1.00 47.96 42 A 1 ATOM 349 C CB . GLU A 0 42 . -46.485 1.686 21.931 1.00 47.96 42 A 1 ATOM 350 O O . GLU A 0 42 . -44.854 3.703 23.968 1.00 47.96 42 A 1 ATOM 351 C CG . GLU A 0 42 . -47.510 1.506 20.785 1.00 47.96 42 A 1 ATOM 352 C CD . GLU A 0 42 . -48.823 2.269 20.997 1.00 47.96 42 A 1 ATOM 353 O OE1 . GLU A 0 42 . -49.227 3.005 20.068 1.00 47.96 42 A 1 ATOM 354 O OE2 . GLU A 0 42 . -49.411 2.104 22.086 1.00 47.96 42 A 1 ATOM 355 N N . ALA A 0 43 . -43.443 2.254 23.023 1.00 46.94 43 A 1 ATOM 356 C CA . ALA A 0 43 . -42.513 2.207 24.162 1.00 46.94 43 A 1 ATOM 357 C C . ALA A 0 43 . -41.686 3.499 24.318 1.00 46.94 43 A 1 ATOM 358 C CB . ALA A 0 43 . -41.609 0.978 24.003 1.00 46.94 43 A 1 ATOM 359 O O . ALA A 0 43 . -41.341 3.895 25.430 1.00 46.94 43 A 1 ATOM 360 N N . ILE A 0 44 . -41.433 4.205 23.212 1.00 47.54 44 A 1 ATOM 361 C CA . ILE A 0 44 . -40.639 5.445 23.197 1.00 47.54 44 A 1 ATOM 362 C C . ILE A 0 44 . -41.390 6.595 23.895 1.00 47.54 44 A 1 ATOM 363 C CB . ILE A 0 44 . -40.225 5.792 21.744 1.00 47.54 44 A 1 ATOM 364 O O . ILE A 0 44 . -40.770 7.459 24.511 1.00 47.54 44 A 1 ATOM 365 C CG1 . ILE A 0 44 . -39.435 4.623 21.102 1.00 47.54 44 A 1 ATOM 366 C CG2 . ILE A 0 44 . -39.389 7.087 21.700 1.00 47.54 44 A 1 ATOM 367 C CD1 . ILE A 0 44 . -39.063 4.858 19.631 1.00 47.54 44 A 1 ATOM 368 N N . LYS A 0 45 . -42.731 6.593 23.882 1.00 45.42 45 A 1 ATOM 369 C CA . LYS A 0 45 . -43.532 7.607 24.593 1.00 45.42 45 A 1 ATOM 370 C C . LYS A 0 45 . -43.594 7.387 26.107 1.00 45.42 45 A 1 ATOM 371 C CB . LYS A 0 45 . -44.939 7.699 23.982 1.00 45.42 45 A 1 ATOM 372 O O . LYS A 0 45 . -43.740 8.359 26.841 1.00 45.42 45 A 1 ATOM 373 C CG . LYS A 0 45 . -45.020 8.843 22.961 1.00 45.42 45 A 1 ATOM 374 C CD . LYS A 0 45 . -46.438 8.939 22.392 1.00 45.42 45 A 1 ATOM 375 C CE . LYS A 0 45 . -46.569 10.166 21.484 1.00 45.42 45 A 1 ATOM 376 N NZ . LYS A 0 45 . -47.934 10.248 20.908 1.00 45.42 45 A 1 ATOM 377 N N . SER A 0 46 . -43.446 6.150 26.583 1.00 48.05 46 A 1 ATOM 378 C CA . SER A 0 46 . -43.535 5.822 28.015 1.00 48.05 46 A 1 ATOM 379 C C . SER A 0 46 . -42.252 6.123 28.796 1.00 48.05 46 A 1 ATOM 380 C CB . SER A 0 46 . -43.905 4.348 28.185 1.00 48.05 46 A 1 ATOM 381 O O . SER A 0 46 . -42.290 6.146 30.022 1.00 48.05 46 A 1 ATOM 382 O OG . SER A 0 46 . -44.116 4.050 29.549 1.00 48.05 46 A 1 ATOM 383 N N . GLN A 0 47 . -41.130 6.358 28.110 1.00 46.16 47 A 1 ATOM 384 C CA . GLN A 0 47 . -39.826 6.598 28.733 1.00 46.16 47 A 1 ATOM 385 C C . GLN A 0 47 . -39.392 8.068 28.665 1.00 46.16 47 A 1 ATOM 386 C CB . GLN A 0 47 . -38.797 5.613 28.160 1.00 46.16 47 A 1 ATOM 387 O O . GLN A 0 47 . -38.216 8.382 28.832 1.00 46.16 47 A 1 ATOM 388 C CG . GLN A 0 47 . -37.804 5.157 29.239 1.00 46.16 47 A 1 ATOM 389 C CD . GLN A 0 47 . -36.778 4.162 28.710 1.00 46.16 47 A 1 ATOM 390 N NE2 . GLN A 0 47 . -36.062 3.489 29.584 1.00 46.16 47 A 1 ATOM 391 O OE1 . GLN A 0 47 . -36.589 3.962 27.522 1.00 46.16 47 A 1 ATOM 392 N N . THR A 0 48 . -40.346 8.997 28.498 1.00 43.82 48 A 1 ATOM 393 C CA . THR A 0 48 . -40.127 10.415 28.852 1.00 43.82 48 A 1 ATOM 394 C C . THR A 0 48 . -40.163 10.564 30.378 1.00 43.82 48 A 1 ATOM 395 C CB . THR A 0 48 . -41.096 11.367 28.133 1.00 43.82 48 A 1 ATOM 396 O O . THR A 0 48 . -40.909 11.352 30.951 1.00 43.82 48 A 1 ATOM 397 C CG2 . THR A 0 48 . -40.627 12.825 28.180 1.00 43.82 48 A 1 ATOM 398 O OG1 . THR A 0 48 . -41.165 11.029 26.765 1.00 43.82 48 A 1 ATOM 399 N N . GLU A 0 49 . -39.380 9.731 31.055 1.00 43.41 49 A 1 ATOM 400 C CA . GLU A 0 49 . -39.075 9.852 32.464 1.00 43.41 49 A 1 ATOM 401 C C . GLU A 0 49 . -37.925 10.850 32.527 1.00 43.41 49 A 1 ATOM 402 C CB . GLU A 0 49 . -38.741 8.468 33.043 1.00 43.41 49 A 1 ATOM 403 O O . GLU A 0 49 . -36.820 10.569 32.078 1.00 43.41 49 A 1 ATOM 404 C CG . GLU A 0 49 . -39.174 8.358 34.510 1.00 43.41 49 A 1 ATOM 405 C CD . GLU A 0 49 . -38.978 6.942 35.076 1.00 43.41 49 A 1 ATOM 406 O OE1 . GLU A 0 49 . -39.676 6.626 36.065 1.00 43.41 49 A 1 ATOM 407 O OE2 . GLU A 0 49 . -38.134 6.194 34.532 1.00 43.41 49 A 1 ATOM 408 N N . ASN A 0 50 . -38.265 12.065 32.945 1.00 42.12 50 A 1 ATOM 409 C CA . ASN A 0 50 . -37.431 13.248 33.139 1.00 42.12 50 A 1 ATOM 410 C C . ASN A 0 50 . -35.917 12.943 33.277 1.00 42.12 50 A 1 ATOM 411 C CB . ASN A 0 50 . -38.043 13.942 34.384 1.00 42.12 50 A 1 ATOM 412 O O . ASN A 0 50 . -35.392 12.849 34.390 1.00 42.12 50 A 1 ATOM 413 C CG . ASN A 0 50 . -38.071 15.453 34.327 1.00 42.12 50 A 1 ATOM 414 N ND2 . ASN A 0 50 . -38.482 16.081 35.404 1.00 42.12 50 A 1 ATOM 415 O OD1 . ASN A 0 50 . -37.790 16.090 33.330 1.00 42.12 50 A 1 ATOM 416 N N . VAL A 0 51 . -35.198 12.791 32.152 1.00 44.14 51 A 1 ATOM 417 C CA . VAL A 0 51 . -33.740 12.610 32.150 1.00 44.14 51 A 1 ATOM 418 C C . VAL A 0 51 . -33.140 13.954 32.523 1.00 44.14 51 A 1 ATOM 419 C CB . VAL A 0 51 . -33.166 12.049 30.830 1.00 44.14 51 A 1 ATOM 420 O O . VAL A 0 51 . -32.839 14.805 31.689 1.00 44.14 51 A 1 ATOM 421 C CG1 . VAL A 0 51 . -31.641 11.857 30.926 1.00 44.14 51 A 1 ATOM 422 C CG2 . VAL A 0 51 . -33.770 10.679 30.501 1.00 44.14 51 A 1 ATOM 423 N N . THR A 0 52 . -33.008 14.160 33.827 1.00 44.49 52 A 1 ATOM 424 C CA . THR A 0 52 . -32.208 15.236 34.389 1.00 44.49 52 A 1 ATOM 425 C C . THR A 0 52 . -30.771 14.892 34.038 1.00 44.49 52 A 1 ATOM 426 C CB . THR A 0 52 . -32.420 15.340 35.906 1.00 44.49 52 A 1 ATOM 427 O O . THR A 0 52 . -30.157 14.055 34.695 1.00 44.49 52 A 1 ATOM 428 C CG2 . THR A 0 52 . -31.734 16.572 36.495 1.00 44.49 52 A 1 ATOM 429 O OG1 . THR A 0 52 . -33.796 15.470 36.185 1.00 44.49 52 A 1 ATOM 430 N N . HIS A 0 53 . -30.252 15.460 32.950 1.00 51.12 53 A 1 ATOM 431 C CA . HIS A 0 53 . -28.844 15.312 32.611 1.00 51.12 53 A 1 ATOM 432 C C . HIS A 0 53 . -28.025 15.904 33.766 1.00 51.12 53 A 1 ATOM 433 C CB . HIS A 0 53 . -28.533 16.015 31.281 1.00 51.12 53 A 1 ATOM 434 O O . HIS A 0 53 . -28.126 17.113 34.002 1.00 51.12 53 A 1 ATOM 435 C CG . HIS A 0 53 . -29.139 15.326 30.086 1.00 51.12 53 A 1 ATOM 436 C CD2 . HIS A 0 53 . -30.215 15.745 29.350 1.00 51.12 53 A 1 ATOM 437 N ND1 . HIS A 0 53 . -28.706 14.142 29.529 1.00 51.12 53 A 1 ATOM 438 C CE1 . HIS A 0 53 . -29.502 13.858 28.485 1.00 51.12 53 A 1 ATOM 439 N NE2 . HIS A 0 53 . -30.427 14.813 28.329 1.00 51.12 53 A 1 ATOM 440 N N . PRO A 0 54 . -27.225 15.109 34.506 1.00 54.12 54 A 1 ATOM 441 C CA . PRO A 0 54 . -26.233 15.697 35.385 1.00 54.12 54 A 1 ATOM 442 C C . PRO A 0 54 . -25.320 16.533 34.492 1.00 54.12 54 A 1 ATOM 443 C CB . PRO A 0 54 . -25.526 14.531 36.080 1.00 54.12 54 A 1 ATOM 444 O O . PRO A 0 54 . -24.803 16.043 33.487 1.00 54.12 54 A 1 ATOM 445 C CG . PRO A 0 54 . -25.715 13.364 35.112 1.00 54.12 54 A 1 ATOM 446 C CD . PRO A 0 54 . -27.044 13.666 34.422 1.00 54.12 54 A 1 ATOM 447 N N . MET A 0 55 . -25.209 17.820 34.810 1.00 50.98 55 A 1 ATOM 448 C CA . MET A 0 55 . -24.354 18.765 34.104 1.00 50.98 55 A 1 ATOM 449 C C . MET A 0 55 . -22.934 18.187 34.133 1.00 50.98 55 A 1 ATOM 450 C CB . MET A 0 55 . -24.493 20.134 34.806 1.00 50.98 55 A 1 ATOM 451 O O . MET A 0 55 . -22.287 18.221 35.177 1.00 50.98 55 A 1 ATOM 452 C CG . MET A 0 55 . -24.284 21.332 33.878 1.00 50.98 55 A 1 ATOM 453 S SD . MET A 0 55 . -24.855 22.903 34.598 1.00 50.98 55 A 1 ATOM 454 C CE . MET A 0 55 . -23.350 23.480 35.420 1.00 50.98 55 A 1 ATOM 455 N N . LEU A 0 56 . -22.496 17.562 33.031 1.00 53.78 56 A 1 ATOM 456 C CA . LEU A 0 56 . -21.184 16.922 32.957 1.00 53.78 56 A 1 ATOM 457 C C . LEU A 0 56 . -20.143 17.999 33.241 1.00 53.78 56 A 1 ATOM 458 C CB . LEU A 0 56 . -20.956 16.259 31.582 1.00 53.78 56 A 1 ATOM 459 O O . LEU A 0 56 . -20.001 18.960 32.479 1.00 53.78 56 A 1 ATOM 460 C CG . LEU A 0 56 . -21.688 14.919 31.378 1.00 53.78 56 A 1 ATOM 461 C CD1 . LEU A 0 56 . -21.539 14.471 29.921 1.00 53.78 56 A 1 ATOM 462 C CD2 . LEU A 0 56 . -21.118 13.801 32.255 1.00 53.78 56 A 1 ATOM 463 N N . ALA A 0 57 . -19.448 17.864 34.368 1.00 54.37 57 A 1 ATOM 464 C CA . ALA A 0 57 . -18.378 18.774 34.715 1.00 54.37 57 A 1 ATOM 465 C C . ALA A 0 57 . -17.301 18.677 33.625 1.00 54.37 57 A 1 ATOM 466 C CB . ALA A 0 57 . -17.860 18.427 36.116 1.00 54.37 57 A 1 ATOM 467 O O . ALA A 0 57 . -17.068 17.614 33.052 1.00 54.37 57 A 1 ATOM 468 N N . VAL A 0 58 . -16.598 19.776 33.345 1.00 57.27 58 A 1 ATOM 469 C CA . VAL A 0 58 . -15.526 19.832 32.326 1.00 57.27 58 A 1 ATOM 470 C C . VAL A 0 58 . -14.491 18.703 32.500 1.00 57.27 58 A 1 ATOM 471 C CB . VAL A 0 58 . -14.852 21.220 32.388 1.00 57.27 58 A 1 ATOM 472 O O . VAL A 0 58 . -13.882 18.241 31.535 1.00 57.27 58 A 1 ATOM 473 C CG1 . VAL A 0 58 . -13.659 21.363 31.435 1.00 57.27 58 A 1 ATOM 474 C CG2 . VAL A 0 58 . -15.857 22.329 32.039 1.00 57.27 58 A 1 ATOM 475 N N . GLN A 0 59 . -14.328 18.207 33.729 1.00 57.05 59 A 1 ATOM 476 C CA . GLN A 0 59 . -13.453 17.089 34.069 1.00 57.05 59 A 1 ATOM 477 C C . GLN A 0 59 . -13.929 15.739 33.493 1.00 57.05 59 A 1 ATOM 478 C CB . GLN A 0 59 . -13.323 17.059 35.601 1.00 57.05 59 A 1 ATOM 479 O O . GLN A 0 59 . -13.097 14.948 33.042 1.00 57.05 59 A 1 ATOM 480 C CG . GLN A 0 59 . -11.899 16.709 36.050 1.00 57.05 59 A 1 ATOM 481 C CD . GLN A 0 59 . -11.689 17.011 37.530 1.00 57.05 59 A 1 ATOM 482 N NE2 . GLN A 0 59 . -10.534 17.508 37.919 1.00 57.05 59 A 1 ATOM 483 O OE1 . GLN A 0 59 . -12.548 16.827 38.369 1.00 57.05 59 A 1 ATOM 484 N N . ASP A 0 60 . -15.242 15.506 33.418 1.00 55.36 60 A 1 ATOM 485 C CA . ASP A 0 60 . -15.820 14.301 32.812 1.00 55.36 60 A 1 ATOM 486 C C . ASP A 0 60 . -15.618 14.293 31.295 1.00 55.36 60 A 1 ATOM 487 C CB . ASP A 0 60 . -17.315 14.180 33.149 1.00 55.36 60 A 1 ATOM 488 O O . ASP A 0 60 . -15.271 13.262 30.721 1.00 55.36 60 A 1 ATOM 489 C CG . ASP A 0 60 . -17.565 13.894 34.630 1.00 55.36 60 A 1 ATOM 490 O OD1 . ASP A 0 60 . -16.781 13.097 35.200 1.00 55.36 60 A 1 ATOM 491 O OD2 . ASP A 0 60 . -18.532 14.478 35.165 1.00 55.36 60 A 1 ATOM 492 N N . VAL A 0 61 . -15.717 15.458 30.644 1.00 57.05 61 A 1 ATOM 493 C CA . VAL A 0 61 . -15.435 15.607 29.204 1.00 57.05 61 A 1 ATOM 494 C C . VAL A 0 61 . -13.978 15.252 28.890 1.00 57.05 61 A 1 ATOM 495 C CB . VAL A 0 61 . -15.764 17.031 28.713 1.00 57.05 61 A 1 ATOM 496 O O . VAL A 0 61 . -13.706 14.552 27.913 1.00 57.05 61 A 1 ATOM 497 C CG1 . VAL A 0 61 . -15.532 17.173 27.202 1.00 57.05 61 A 1 ATOM 498 C CG2 . VAL A 0 61 . -17.227 17.392 29.002 1.00 57.05 61 A 1 ATOM 499 N N . TYR A 0 62 . -13.033 15.665 29.741 1.00 55.35 62 A 1 ATOM 500 C CA . TYR A 0 62 . -11.621 15.295 29.593 1.00 55.35 62 A 1 ATOM 501 C C . TYR A 0 62 . -11.385 13.793 29.768 1.00 55.35 62 A 1 ATOM 502 C CB . TYR A 0 62 . -10.762 16.092 30.584 1.00 55.35 62 A 1 ATOM 503 O O . TYR A 0 62 . -10.611 13.194 29.013 1.00 55.35 62 A 1 ATOM 504 C CG . TYR A 0 62 . -10.022 17.231 29.921 1.00 55.35 62 A 1 ATOM 505 C CD1 . TYR A 0 62 . -8.802 16.978 29.263 1.00 55.35 62 A 1 ATOM 506 C CD2 . TYR A 0 62 . -10.564 18.529 29.935 1.00 55.35 62 A 1 ATOM 507 C CE1 . TYR A 0 62 . -8.113 18.031 28.632 1.00 55.35 62 A 1 ATOM 508 C CE2 . TYR A 0 62 . -9.877 19.585 29.306 1.00 55.35 62 A 1 ATOM 509 O OH . TYR A 0 62 . -7.979 20.345 28.042 1.00 55.35 62 A 1 ATOM 510 C CZ . TYR A 0 62 . -8.649 19.335 28.655 1.00 55.35 62 A 1 ATOM 511 N N . LYS A 0 63 . -12.063 13.169 30.738 1.00 57.94 63 A 1 ATOM 512 C CA . LYS A 0 63 . -11.971 11.724 30.970 1.00 57.94 63 A 1 ATOM 513 C C . LYS A 0 63 . -12.530 10.938 29.779 1.00 57.94 63 A 1 ATOM 514 C CB . LYS A 0 63 . -12.668 11.394 32.295 1.00 57.94 63 A 1 ATOM 515 O O . LYS A 0 63 . -11.833 10.070 29.252 1.00 57.94 63 A 1 ATOM 516 C CG . LYS A 0 63 . -12.349 9.966 32.749 1.00 57.94 63 A 1 ATOM 517 C CD . LYS A 0 63 . -13.042 9.676 34.081 1.00 57.94 63 A 1 ATOM 518 C CE . LYS A 0 63 . -12.804 8.217 34.472 1.00 57.94 63 A 1 ATOM 519 N NZ . LYS A 0 63 . -13.628 7.854 35.650 1.00 57.94 63 A 1 ATOM 520 N N . ILE A 0 64 . -13.705 11.326 29.279 1.00 59.94 64 A 1 ATOM 521 C CA . ILE A 0 64 . -14.332 10.747 28.080 1.00 59.94 64 A 1 ATOM 522 C C . ILE A 0 64 . -13.436 10.941 26.848 1.00 59.94 64 A 1 ATOM 523 C CB . ILE A 0 64 . -15.738 11.360 27.865 1.00 59.94 64 A 1 ATOM 524 O O . ILE A 0 64 . -13.247 10.006 26.068 1.00 59.94 64 A 1 ATOM 525 C CG1 . ILE A 0 64 . -16.698 10.951 29.008 1.00 59.94 64 A 1 ATOM 526 C CG2 . ILE A 0 64 . -16.340 10.920 26.515 1.00 59.94 64 A 1 ATOM 527 C CD1 . ILE A 0 64 . -17.958 11.826 29.087 1.00 59.94 64 A 1 ATOM 528 N N . GLY A 0 65 . -12.825 12.118 26.685 1.00 56.42 65 A 1 ATOM 529 C CA . GLY A 0 65 . -11.903 12.399 25.583 1.00 56.42 65 A 1 ATOM 530 C C . GLY A 0 65 . -10.667 11.495 25.598 1.00 56.42 65 A 1 ATOM 531 O O . GLY A 0 65 . -10.272 10.962 24.558 1.00 56.42 65 A 1 ATOM 532 N N . ASN A 0 66 . -10.080 11.257 26.772 1.00 58.66 66 A 1 ATOM 533 C CA . ASN A 0 66 . -8.917 10.376 26.909 1.00 58.66 66 A 1 ATOM 534 C C . ASN A 0 66 . -9.269 8.894 26.717 1.00 58.66 66 A 1 ATOM 535 C CB . ASN A 0 66 . -8.246 10.635 28.268 1.00 58.66 66 A 1 ATOM 536 O O . ASN A 0 66 . -8.513 8.162 26.073 1.00 58.66 66 A 1 ATOM 537 C CG . ASN A 0 66 . -7.345 11.858 28.259 1.00 58.66 66 A 1 ATOM 538 N ND2 . ASN A 0 66 . -6.905 12.291 29.417 1.00 58.66 66 A 1 ATOM 539 O OD1 . ASN A 0 66 . -6.974 12.404 27.230 1.00 58.66 66 A 1 ATOM 540 N N . GLU A 0 67 . -10.418 8.446 27.221 1.00 60.07 67 A 1 ATOM 541 C CA . GLU A 0 67 . -10.902 7.078 27.002 1.00 60.07 67 A 1 ATOM 542 C C . GLU A 0 67 . -11.229 6.829 25.524 1.00 60.07 67 A 1 ATOM 543 C CB . GLU A 0 67 . -12.126 6.812 27.885 1.00 60.07 67 A 1 ATOM 544 O O . GLU A 0 67 . -10.852 5.792 24.970 1.00 60.07 67 A 1 ATOM 545 C CG . GLU A 0 67 . -11.733 6.663 29.365 1.00 60.07 67 A 1 ATOM 546 C CD . GLU A 0 67 . -12.943 6.461 30.292 1.00 60.07 67 A 1 ATOM 547 O OE1 . GLU A 0 67 . -12.737 6.548 31.528 1.00 60.07 67 A 1 ATOM 548 O OE2 . GLU A 0 67 . -14.044 6.187 29.768 1.00 60.07 67 A 1 ATOM 549 N N . THR A 0 68 . -11.835 7.815 24.859 1.00 58.18 68 A 1 ATOM 550 C CA . THR A 0 68 . -12.127 7.764 23.420 1.00 58.18 68 A 1 ATOM 551 C C . THR A 0 68 . -10.839 7.727 22.602 1.00 58.18 68 A 1 ATOM 552 C CB . THR A 0 68 . -13.025 8.933 22.989 1.00 58.18 68 A 1 ATOM 553 O O . THR A 0 68 . -10.722 6.901 21.698 1.00 58.18 68 A 1 ATOM 554 C CG2 . THR A 0 68 . -13.469 8.808 21.531 1.00 58.18 68 A 1 ATOM 555 O OG1 . THR A 0 68 . -14.192 8.928 23.773 1.00 58.18 68 A 1 ATOM 556 N N . LYS A 0 69 . -9.817 8.518 22.965 1.00 57.97 69 A 1 ATOM 557 C CA . LYS A 0 69 . -8.486 8.429 22.340 1.00 57.97 69 A 1 ATOM 558 C C . LYS A 0 69 . -7.862 7.044 22.512 1.00 57.97 69 A 1 ATOM 559 C CB . LYS A 0 69 . -7.548 9.520 22.876 1.00 57.97 69 A 1 ATOM 560 O O . LYS A 0 69 . -7.392 6.488 21.528 1.00 57.97 69 A 1 ATOM 561 C CG . LYS A 0 69 . -7.825 10.884 22.227 1.00 57.97 69 A 1 ATOM 562 C CD . LYS A 0 69 . -6.856 11.939 22.775 1.00 57.97 69 A 1 ATOM 563 C CE . LYS A 0 69 . -7.136 13.299 22.127 1.00 57.97 69 A 1 ATOM 564 N NZ . LYS A 0 69 . -6.193 14.338 22.614 1.00 57.97 69 A 1 ATOM 565 N N . ARG A 0 70 . -7.897 6.443 23.711 1.00 57.90 70 A 1 ATOM 566 C CA . ARG A 0 70 . -7.353 5.083 23.923 1.00 57.90 70 A 1 ATOM 567 C C . ARG A 0 70 . -8.091 4.032 23.094 1.00 57.90 70 A 1 ATOM 568 C CB . ARG A 0 70 . -7.357 4.684 25.408 1.00 57.90 70 A 1 ATOM 569 O O . ARG A 0 70 . -7.433 3.176 22.505 1.00 57.90 70 A 1 ATOM 570 C CG . ARG A 0 70 . -6.279 5.418 26.219 1.00 57.90 70 A 1 ATOM 571 C CD . ARG A 0 70 . -6.226 4.929 27.677 1.00 57.90 70 A 1 ATOM 572 N NE . ARG A 0 70 . -5.204 3.881 27.899 1.00 57.90 70 A 1 ATOM 573 N NH1 . ARG A 0 70 . -5.827 3.296 30.034 1.00 57.90 70 A 1 ATOM 574 N NH2 . ARG A 0 70 . -3.985 2.411 29.149 1.00 57.90 70 A 1 ATOM 575 C CZ . ARG A 0 70 . -5.013 3.203 29.019 1.00 57.90 70 A 1 ATOM 576 N N . LYS A 0 71 . -9.423 4.107 23.012 1.00 58.17 71 A 1 ATOM 577 C CA . LYS A 0 71 . -10.224 3.193 22.180 1.00 58.17 71 A 1 ATOM 578 C C . LYS A 0 71 . -9.924 3.369 20.691 1.00 58.17 71 A 1 ATOM 579 C CB . LYS A 0 71 . -11.722 3.367 22.470 1.00 58.17 71 A 1 ATOM 580 O O . LYS A 0 71 . -9.738 2.372 20.004 1.00 58.17 71 A 1 ATOM 581 C CG . LYS A 0 71 . -12.127 2.711 23.800 1.00 58.17 71 A 1 ATOM 582 C CD . LYS A 0 71 . -13.640 2.843 24.029 1.00 58.17 71 A 1 ATOM 583 C CE . LYS A 0 71 . -14.052 2.167 25.344 1.00 58.17 71 A 1 ATOM 584 N NZ . LYS A 0 71 . -15.505 2.327 25.613 1.00 58.17 71 A 1 ATOM 585 N N . LEU A 0 72 . -9.786 4.606 20.211 1.00 57.86 72 A 1 ATOM 586 C CA . LEU A 0 72 . -9.410 4.881 18.821 1.00 57.86 72 A 1 ATOM 587 C C . LEU A 0 72 . -7.994 4.389 18.500 1.00 57.86 72 A 1 ATOM 588 C CB . LEU A 0 72 . -9.569 6.381 18.522 1.00 57.86 72 A 1 ATOM 589 O O . LEU A 0 72 . -7.802 3.766 17.459 1.00 57.86 72 A 1 ATOM 590 C CG . LEU A 0 72 . -11.034 6.841 18.393 1.00 57.86 72 A 1 ATOM 591 C CD1 . LEU A 0 72 . -11.080 8.367 18.339 1.00 57.86 72 A 1 ATOM 592 C CD2 . LEU A 0 72 . -11.701 6.297 17.127 1.00 57.86 72 A 1 ATOM 593 N N . THR A 0 73 . -7.021 4.568 19.400 1.00 58.33 73 A 1 ATOM 594 C CA . THR A 0 73 . -5.670 4.008 19.224 1.00 58.33 73 A 1 ATOM 595 C C . THR A 0 73 . -5.700 2.480 19.188 1.00 58.33 73 A 1 ATOM 596 C CB . THR A 0 73 . -4.708 4.477 20.329 1.00 58.33 73 A 1 ATOM 597 O O . THR A 0 73 . -5.019 1.878 18.361 1.00 58.33 73 A 1 ATOM 598 C CG2 . THR A 0 73 . -3.253 4.108 20.042 1.00 58.33 73 A 1 ATOM 599 O OG1 . THR A 0 73 . -4.718 5.878 20.436 1.00 58.33 73 A 1 ATOM 600 N N . TYR A 0 74 . -6.509 1.838 20.036 1.00 55.54 74 A 1 ATOM 601 C CA . TYR A 0 74 . -6.657 0.380 20.049 1.00 55.54 74 A 1 ATOM 602 C C . TYR A 0 74 . -7.307 -0.146 18.761 1.00 55.54 74 A 1 ATOM 603 C CB . TYR A 0 74 . -7.421 -0.039 21.309 1.00 55.54 74 A 1 ATOM 604 O O . TYR A 0 74 . -6.767 -1.061 18.142 1.00 55.54 74 A 1 ATOM 605 C CG . TYR A 0 74 . -7.400 -1.532 21.566 1.00 55.54 74 A 1 ATOM 606 C CD1 . TYR A 0 74 . -8.538 -2.311 21.287 1.00 55.54 74 A 1 ATOM 607 C CD2 . TYR A 0 74 . -6.243 -2.139 22.095 1.00 55.54 74 A 1 ATOM 608 C CE1 . TYR A 0 74 . -8.521 -3.692 21.551 1.00 55.54 74 A 1 ATOM 609 C CE2 . TYR A 0 74 . -6.211 -3.530 22.320 1.00 55.54 74 A 1 ATOM 610 O OH . TYR A 0 74 . -7.332 -5.656 22.223 1.00 55.54 74 A 1 ATOM 611 C CZ . TYR A 0 74 . -7.351 -4.311 22.035 1.00 55.54 74 A 1 ATOM 612 N N . CYS A 0 75 . -8.384 0.489 18.287 1.00 54.80 75 A 1 ATOM 613 C CA . CYS A 0 75 . -8.997 0.156 16.999 1.00 54.80 75 A 1 ATOM 614 C C . CYS A 0 75 . -8.046 0.405 15.818 1.00 54.80 75 A 1 ATOM 615 C CB . CYS A 0 75 . -10.296 0.952 16.821 1.00 54.80 75 A 1 ATOM 616 O O . CYS A 0 75 . -8.020 -0.394 14.884 1.00 54.80 75 A 1 ATOM 617 S SG . CYS A 0 75 . -11.587 0.282 17.907 1.00 54.80 75 A 1 ATOM 618 N N . HIS A 0 76 . -7.233 1.466 15.853 1.00 56.74 76 A 1 ATOM 619 C CA . HIS A 0 76 . -6.246 1.742 14.806 1.00 56.74 76 A 1 ATOM 620 C C . HIS A 0 76 . -5.117 0.700 14.792 1.00 56.74 76 A 1 ATOM 621 C CB . HIS A 0 76 . -5.702 3.166 14.975 1.00 56.74 76 A 1 ATOM 622 O O . HIS A 0 76 . -4.702 0.261 13.722 1.00 56.74 76 A 1 ATOM 623 C CG . HIS A 0 76 . -4.894 3.625 13.789 1.00 56.74 76 A 1 ATOM 624 C CD2 . HIS A 0 76 . -3.533 3.568 13.649 1.00 56.74 76 A 1 ATOM 625 N ND1 . HIS A 0 76 . -5.396 4.157 12.622 1.00 56.74 76 A 1 ATOM 626 C CE1 . HIS A 0 76 . -4.363 4.416 11.803 1.00 56.74 76 A 1 ATOM 627 N NE2 . HIS A 0 76 . -3.203 4.079 12.391 1.00 56.74 76 A 1 ATOM 628 N N . MET A 0 77 . -4.653 0.247 15.965 1.00 58.05 77 A 1 ATOM 629 C CA . MET A 0 77 . -3.698 -0.862 16.057 1.00 58.05 77 A 1 ATOM 630 C C . MET A 0 77 . -4.305 -2.159 15.516 1.00 58.05 77 A 1 ATOM 631 C CB . MET A 0 77 . -3.203 -1.057 17.497 1.00 58.05 77 A 1 ATOM 632 O O . MET A 0 77 . -3.675 -2.799 14.682 1.00 58.05 77 A 1 ATOM 633 C CG . MET A 0 77 . -2.251 0.062 17.937 1.00 58.05 77 A 1 ATOM 634 S SD . MET A 0 77 . -1.455 -0.194 19.550 1.00 58.05 77 A 1 ATOM 635 C CE . MET A 0 77 . -2.893 -0.306 20.647 1.00 58.05 77 A 1 ATOM 636 N N . ILE A 0 78 . -5.530 -2.520 15.915 1.00 57.90 78 A 1 ATOM 637 C CA . ILE A 0 78 . -6.189 -3.740 15.418 1.00 57.90 78 A 1 ATOM 638 C C . ILE A 0 78 . -6.323 -3.707 13.895 1.00 57.90 78 A 1 ATOM 639 C CB . ILE A 0 78 . -7.541 -3.983 16.123 1.00 57.90 78 A 1 ATOM 640 O O . ILE A 0 78 . -5.914 -4.667 13.254 1.00 57.90 78 A 1 ATOM 641 C CG1 . ILE A 0 78 . -7.261 -4.394 17.583 1.00 57.90 78 A 1 ATOM 642 C CG2 . ILE A 0 78 . -8.346 -5.092 15.411 1.00 57.90 78 A 1 ATOM 643 C CD1 . ILE A 0 78 . -8.512 -4.493 18.454 1.00 57.90 78 A 1 ATOM 644 N N . ASN A 0 79 . -6.786 -2.600 13.306 1.00 56.84 79 A 1 ATOM 645 C CA . ASN A 0 79 . -6.886 -2.478 11.847 1.00 56.84 79 A 1 ATOM 646 C C . ASN A 0 79 . -5.511 -2.565 11.161 1.00 56.84 79 A 1 ATOM 647 C CB . ASN A 0 79 . -7.610 -1.172 11.487 1.00 56.84 79 A 1 ATOM 648 O O . ASN A 0 79 . -5.375 -3.225 10.134 1.00 56.84 79 A 1 ATOM 649 C CG . ASN A 0 79 . -9.113 -1.312 11.615 1.00 56.84 79 A 1 ATOM 650 N ND2 . ASN A 0 79 . -9.719 -0.778 12.647 1.00 56.84 79 A 1 ATOM 651 O OD1 . ASN A 0 79 . -9.773 -1.921 10.805 1.00 56.84 79 A 1 ATOM 652 N N . LYS A 0 80 . -4.460 -1.980 11.755 1.00 60.03 80 A 1 ATOM 653 C CA . LYS A 0 80 . -3.087 -2.082 11.234 1.00 60.03 80 A 1 ATOM 654 C C . LYS A 0 80 . -2.545 -3.519 11.264 1.00 60.03 80 A 1 ATOM 655 C CB . LYS A 0 80 . -2.186 -1.111 12.011 1.00 60.03 80 A 1 ATOM 656 O O . LYS A 0 80 . -1.791 -3.898 10.373 1.00 60.03 80 A 1 ATOM 657 C CG . LYS A 0 80 . -0.787 -1.008 11.391 1.00 60.03 80 A 1 ATOM 658 C CD . LYS A 0 80 . 0.079 -0.011 12.163 1.00 60.03 80 A 1 ATOM 659 C CE . LYS A 0 80 . 1.448 0.075 11.483 1.00 60.03 80 A 1 ATOM 660 N NZ . LYS A 0 80 . 2.356 0.997 12.206 1.00 60.03 80 A 1 ATOM 661 N N . TYR A 0 81 . -2.912 -4.312 12.271 1.00 55.35 81 A 1 ATOM 662 C CA . TYR A 0 81 . -2.482 -5.709 12.401 1.00 55.35 81 A 1 ATOM 663 C C . TYR A 0 81 . -3.436 -6.712 11.747 1.00 55.35 81 A 1 ATOM 664 C CB . TYR A 0 81 . -2.222 -6.054 13.874 1.00 55.35 81 A 1 ATOM 665 O O . TYR A 0 81 . -3.046 -7.859 11.556 1.00 55.35 81 A 1 ATOM 666 C CG . TYR A 0 81 . -1.034 -5.316 14.467 1.00 55.35 81 A 1 ATOM 667 C CD1 . TYR A 0 81 . 0.269 -5.610 14.024 1.00 55.35 81 A 1 ATOM 668 C CD2 . TYR A 0 81 . -1.225 -4.338 15.459 1.00 55.35 81 A 1 ATOM 669 C CE1 . TYR A 0 81 . 1.371 -4.905 14.545 1.00 55.35 81 A 1 ATOM 670 C CE2 . TYR A 0 81 . -0.138 -3.591 15.947 1.00 55.35 81 A 1 ATOM 671 O OH . TYR A 0 81 . 2.218 -3.175 15.981 1.00 55.35 81 A 1 ATOM 672 C CZ . TYR A 0 81 . 1.163 -3.878 15.492 1.00 55.35 81 A 1 ATOM 673 N N . GLN A 0 82 . -4.642 -6.311 11.342 1.00 52.19 82 A 1 ATOM 674 C CA . GLN A 0 82 . -5.601 -7.204 10.688 1.00 52.19 82 A 1 ATOM 675 C C . GLN A 0 82 . -5.046 -7.760 9.366 1.00 52.19 82 A 1 ATOM 676 C CB . GLN A 0 82 . -6.936 -6.463 10.525 1.00 52.19 82 A 1 ATOM 677 O O . GLN A 0 82 . -5.278 -8.921 9.057 1.00 52.19 82 A 1 ATOM 678 C CG . GLN A 0 82 . -8.131 -7.409 10.326 1.00 52.19 82 A 1 ATOM 679 C CD . GLN A 0 82 . -9.471 -6.690 10.471 1.00 52.19 82 A 1 ATOM 680 N NE2 . GLN A 0 82 . -10.578 -7.395 10.388 1.00 52.19 82 A 1 ATOM 681 O OE1 . GLN A 0 82 . -9.563 -5.497 10.693 1.00 52.19 82 A 1 ATOM 682 N N . HIS A 0 83 . -4.195 -7.007 8.657 1.00 51.95 83 A 1 ATOM 683 C CA . HIS A 0 83 . -3.485 -7.494 7.466 1.00 51.95 83 A 1 ATOM 684 C C . HIS A 0 83 . -2.351 -8.503 7.781 1.00 51.95 83 A 1 ATOM 685 C CB . HIS A 0 83 . -2.979 -6.277 6.673 1.00 51.95 83 A 1 ATOM 686 O O . HIS A 0 83 . -1.885 -9.202 6.883 1.00 51.95 83 A 1 ATOM 687 C CG . HIS A 0 83 . -2.633 -6.581 5.234 1.00 51.95 83 A 1 ATOM 688 C CD2 . HIS A 0 83 . -3.349 -6.217 4.125 1.00 51.95 83 A 1 ATOM 689 N ND1 . HIS A 0 83 . -1.554 -7.313 4.792 1.00 51.95 83 A 1 ATOM 690 C CE1 . HIS A 0 83 . -1.618 -7.385 3.453 1.00 51.95 83 A 1 ATOM 691 N NE2 . HIS A 0 83 . -2.691 -6.723 3.001 1.00 51.95 83 A 1 ATOM 692 N N . LEU A 0 84 . -1.892 -8.620 9.037 1.00 53.08 84 A 1 ATOM 693 C CA . LEU A 0 84 . -0.863 -9.598 9.435 1.00 53.08 84 A 1 ATOM 694 C C . LEU A 0 84 . -1.428 -10.992 9.763 1.00 53.08 84 A 1 ATOM 695 C CB . LEU A 0 84 . -0.001 -9.065 10.605 1.00 53.08 84 A 1 ATOM 696 O O . LEU A 0 84 . -0.654 -11.942 9.827 1.00 53.08 84 A 1 ATOM 697 C CG . LEU A 0 84 . 1.319 -8.407 10.161 1.00 53.08 84 A 1 ATOM 698 C CD1 . LEU A 0 84 . 1.114 -6.958 9.715 1.00 53.08 84 A 1 ATOM 699 C CD2 . LEU A 0 84 . 2.328 -8.416 11.311 1.00 53.08 84 A 1 ATOM 700 N N . PHE A 0 85 . -2.745 -11.140 9.949 1.00 53.04 85 A 1 ATOM 701 C CA . PHE A 0 85 . -3.373 -12.407 10.361 1.00 53.04 85 A 1 ATOM 702 C C . PHE A 0 85 . -4.165 -13.122 9.250 1.00 53.04 85 A 1 ATOM 703 C CB . PHE A 0 85 . -4.198 -12.180 11.639 1.00 53.04 85 A 1 ATOM 704 O O . PHE A 0 85 . -4.781 -14.148 9.513 1.00 53.04 85 A 1 ATOM 705 C CG . PHE A 0 85 . -3.348 -11.968 12.879 1.00 53.04 85 A 1 ATOM 706 C CD1 . PHE A 0 85 . -2.787 -13.075 13.543 1.00 53.04 85 A 1 ATOM 707 C CD2 . PHE A 0 85 . -3.111 -10.672 13.372 1.00 53.04 85 A 1 ATOM 708 C CE1 . PHE A 0 85 . -1.990 -12.886 14.687 1.00 53.04 85 A 1 ATOM 709 C CE2 . PHE A 0 85 . -2.308 -10.479 14.510 1.00 53.04 85 A 1 ATOM 710 C CZ . PHE A 0 85 . -1.747 -11.587 15.168 1.00 53.04 85 A 1 ATOM 711 N N . VAL A 0 86 . -4.131 -12.633 8.004 1.00 56.69 86 A 1 ATOM 712 C CA . VAL A 0 86 . -4.912 -13.191 6.872 1.00 56.69 86 A 1 ATOM 713 C C . VAL A 0 86 . -4.098 -14.194 6.024 1.00 56.69 86 A 1 ATOM 714 C CB . VAL A 0 86 . -5.602 -12.051 6.071 1.00 56.69 86 A 1 ATOM 715 O O . VAL A 0 86 . -4.476 -14.516 4.908 1.00 56.69 86 A 1 ATOM 716 C CG1 . VAL A 0 86 . -6.523 -12.494 4.921 1.00 56.69 86 A 1 ATOM 717 C CG2 . VAL A 0 86 . -6.523 -11.242 6.999 1.00 56.69 86 A 1 ATOM 718 N N . HIS A 0 87 . -2.977 -14.725 6.529 1.00 46.90 87 A 1 ATOM 719 C CA . HIS A 0 87 . -2.067 -15.571 5.735 1.00 46.90 87 A 1 ATOM 720 C C . HIS A 0 87 . -1.705 -16.934 6.358 1.00 46.90 87 A 1 ATOM 721 C CB . HIS A 0 87 . -0.853 -14.731 5.284 1.00 46.90 87 A 1 ATOM 722 O O . HIS A 0 87 . -0.599 -17.427 6.132 1.00 46.90 87 A 1 ATOM 723 C CG . HIS A 0 87 . -0.676 -14.746 3.789 1.00 46.90 87 A 1 ATOM 724 C CD2 . HIS A 0 87 . -1.029 -13.750 2.919 1.00 46.90 87 A 1 ATOM 725 N ND1 . HIS A 0 87 . -0.204 -15.795 3.036 1.00 46.90 87 A 1 ATOM 726 C CE1 . HIS A 0 87 . -0.256 -15.431 1.743 1.00 46.90 87 A 1 ATOM 727 N NE2 . HIS A 0 87 . -0.737 -14.183 1.622 1.00 46.90 87 A 1 ATOM 728 N N . HIS A 0 88 . -2.617 -17.546 7.122 1.00 43.33 88 A 1 ATOM 729 C CA . HIS A 0 88 . -2.458 -18.924 7.610 1.00 43.33 88 A 1 ATOM 730 C C . HIS A 0 88 . -3.327 -19.919 6.833 1.00 43.33 88 A 1 ATOM 731 C CB . HIS A 0 88 . -2.691 -18.986 9.126 1.00 43.33 88 A 1 ATOM 732 O O . HIS A 0 88 . -4.441 -19.527 6.426 1.00 43.33 88 A 1 ATOM 733 C CG . HIS A 0 88 . -2.020 -20.182 9.751 1.00 43.33 88 A 1 ATOM 734 C CD2 . HIS A 0 88 . -0.974 -20.172 10.633 1.00 43.33 88 A 1 ATOM 735 N ND1 . HIS A 0 88 . -2.252 -21.490 9.417 1.00 43.33 88 A 1 ATOM 736 C CE1 . HIS A 0 88 . -1.389 -22.255 10.104 1.00 43.33 88 A 1 ATOM 737 N NE2 . HIS A 0 88 . -0.586 -21.496 10.872 1.00 43.33 88 A 1 ATOM 738 O OXT . HIS A 0 88 . -2.864 -21.076 6.717 1.00 43.33 88 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 61.73 # loop_ _atom_type.symbol C N O S #