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 ASN 0 3 CYS 0 4 LEU 0 5 PHE 0 6 LEU 0 7 LEU 0 8 PHE 0 9 LEU 0 10 PRO 0 11 SER 0 12 LEU 0 13 TRP 0 14 SER 0 15 VAL 0 16 LEU 0 17 SER 0 18 THR 0 19 GLU 0 20 ASN 0 21 ASN 0 22 ASP 0 23 ARG 0 24 PHE 0 25 VAL 0 26 LEU 0 27 ILE 0 28 LEU 0 29 ILE 0 30 ASN 0 31 GLU 0 32 ILE 0 33 LEU 0 34 HIS 0 35 GLN 0 36 LEU 0 37 ASP 0 38 LEU 0 39 PHE 0 40 ILE 0 41 GLN 0 42 ARG 0 43 LYS 0 44 SER 0 45 PHE 0 46 SER 0 47 ARG 0 48 PHE 0 49 GLY 0 50 ALA 0 51 ILE 0 52 GLN 0 53 LEU 0 54 GLU 0 55 LYS 0 56 GLU 0 57 TYR 0 58 HIS 0 59 ASN 0 60 LEU 0 61 PHE 0 62 ALA 0 63 TYR 0 64 LEU 0 65 THR 0 66 SER 0 67 ILE 0 68 SER 0 69 TYR 0 70 SER 0 71 SER 0 72 LEU 0 73 SER 0 74 ASP 0 75 TYR 0 76 PHE 0 77 THR 0 78 ARG 0 79 SER 0 80 LEU 0 81 GLN 0 82 VAL 0 83 CYS 0 84 ARG 0 85 LEU 0 86 LEU 0 87 ASN 0 88 LEU 0 89 ASP 0 90 ARG 0 91 VAL 0 92 GLU 0 93 GLU 0 94 VAL 0 95 HIS 0 96 TYR 0 97 TYR 0 98 TRP 0 99 ASN 0 100 SER 0 101 SER 0 102 ASN 0 103 TRP 0 104 ARG 0 105 LEU 0 106 THR 0 107 ALA 0 108 HIS 0 109 GLU 0 110 THR # 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 . -10.240 -7.365 -11.664 1.00 47.61 1 A 1 ATOM 2 C CA . MET A 0 1 . -9.684 -6.401 -12.638 1.00 47.61 1 A 1 ATOM 3 C C . MET A 0 1 . -8.811 -7.166 -13.608 1.00 47.61 1 A 1 ATOM 4 C CB . MET A 0 1 . -8.840 -5.333 -11.938 1.00 47.61 1 A 1 ATOM 5 O O . MET A 0 1 . -7.993 -7.956 -13.161 1.00 47.61 1 A 1 ATOM 6 C CG . MET A 0 1 . -9.702 -4.183 -11.427 1.00 47.61 1 A 1 ATOM 7 S SD . MET A 0 1 . -8.827 -3.165 -10.230 1.00 47.61 1 A 1 ATOM 8 C CE . MET A 0 1 . -7.663 -2.231 -11.258 1.00 47.61 1 A 1 ATOM 9 N N . ASN A 0 2 . -9.013 -6.988 -14.912 1.00 42.26 2 A 1 ATOM 10 C CA . ASN A 0 2 . -8.178 -7.620 -15.929 1.00 42.26 2 A 1 ATOM 11 C C . ASN A 0 2 . -6.757 -7.031 -15.870 1.00 42.26 2 A 1 ATOM 12 C CB . ASN A 0 2 . -8.840 -7.422 -17.313 1.00 42.26 2 A 1 ATOM 13 O O . ASN A 0 2 . -6.485 -6.020 -16.510 1.00 42.26 2 A 1 ATOM 14 C CG . ASN A 0 2 . -9.943 -8.424 -17.609 1.00 42.26 2 A 1 ATOM 15 N ND2 . ASN A 0 2 . -10.936 -8.060 -18.386 1.00 42.26 2 A 1 ATOM 16 O OD1 . ASN A 0 2 . -9.921 -9.549 -17.149 1.00 42.26 2 A 1 ATOM 17 N N . CYS A 0 3 . -5.841 -7.694 -15.153 1.00 59.96 3 A 1 ATOM 18 C CA . CYS A 0 3 . -4.393 -7.425 -15.176 1.00 59.96 3 A 1 ATOM 19 C C . CYS A 0 3 . -3.753 -7.586 -16.569 1.00 59.96 3 A 1 ATOM 20 C CB . CYS A 0 3 . -3.675 -8.340 -14.166 1.00 59.96 3 A 1 ATOM 21 O O . CYS A 0 3 . -2.554 -7.374 -16.714 1.00 59.96 3 A 1 ATOM 22 S SG . CYS A 0 3 . -3.800 -7.644 -12.501 1.00 59.96 3 A 1 ATOM 23 N N . LEU A 0 4 . -4.530 -7.929 -17.602 1.00 61.32 4 A 1 ATOM 24 C CA . LEU A 0 4 . -4.065 -8.038 -18.984 1.00 61.32 4 A 1 ATOM 25 C C . LEU A 0 4 . -3.388 -6.754 -19.470 1.00 61.32 4 A 1 ATOM 26 C CB . LEU A 0 4 . -5.253 -8.389 -19.897 1.00 61.32 4 A 1 ATOM 27 O O . LEU A 0 4 . -2.384 -6.844 -20.161 1.00 61.32 4 A 1 ATOM 28 C CG . LEU A 0 4 . -5.751 -9.839 -19.755 1.00 61.32 4 A 1 ATOM 29 C CD1 . LEU A 0 4 . -7.099 -9.991 -20.457 1.00 61.32 4 A 1 ATOM 30 C CD2 . LEU A 0 4 . -4.774 -10.842 -20.371 1.00 61.32 4 A 1 ATOM 31 N N . PHE A 0 5 . -3.878 -5.572 -19.080 1.00 66.71 5 A 1 ATOM 32 C CA . PHE A 0 5 . -3.243 -4.317 -19.493 1.00 66.71 5 A 1 ATOM 33 C C . PHE A 0 5 . -1.831 -4.158 -18.909 1.00 66.71 5 A 1 ATOM 34 C CB . PHE A 0 5 . -4.132 -3.126 -19.126 1.00 66.71 5 A 1 ATOM 35 O O . PHE A 0 5 . -0.913 -3.728 -19.601 1.00 66.71 5 A 1 ATOM 36 C CG . PHE A 0 5 . -3.599 -1.834 -19.712 1.00 66.71 5 A 1 ATOM 37 C CD1 . PHE A 0 5 . -2.802 -0.975 -18.932 1.00 66.71 5 A 1 ATOM 38 C CD2 . PHE A 0 5 . -3.829 -1.533 -21.068 1.00 66.71 5 A 1 ATOM 39 C CE1 . PHE A 0 5 . -2.242 0.176 -19.514 1.00 66.71 5 A 1 ATOM 40 C CE2 . PHE A 0 5 . -3.283 -0.370 -21.638 1.00 66.71 5 A 1 ATOM 41 C CZ . PHE A 0 5 . -2.491 0.487 -20.859 1.00 66.71 5 A 1 ATOM 42 N N . LEU A 0 6 . -1.635 -4.582 -17.657 1.00 69.95 6 A 1 ATOM 43 C CA . LEU A 0 6 . -0.340 -4.502 -16.981 1.00 69.95 6 A 1 ATOM 44 C C . LEU A 0 6 . 0.712 -5.408 -17.646 1.00 69.95 6 A 1 ATOM 45 C CB . LEU A 0 6 . -0.525 -4.815 -15.485 1.00 69.95 6 A 1 ATOM 46 O O . LEU A 0 6 . 1.895 -5.081 -17.640 1.00 69.95 6 A 1 ATOM 47 C CG . LEU A 0 6 . -1.489 -3.871 -14.736 1.00 69.95 6 A 1 ATOM 48 C CD1 . LEU A 0 6 . -1.635 -4.304 -13.278 1.00 69.95 6 A 1 ATOM 49 C CD2 . LEU A 0 6 . -1.052 -2.405 -14.767 1.00 69.95 6 A 1 ATOM 50 N N . LEU A 0 7 . 0.290 -6.486 -18.320 1.00 72.15 7 A 1 ATOM 51 C CA . LEU A 0 7 . 1.188 -7.350 -19.097 1.00 72.15 7 A 1 ATOM 52 C C . LEU A 0 7 . 1.796 -6.653 -20.322 1.00 72.15 7 A 1 ATOM 53 C CB . LEU A 0 7 . 0.449 -8.620 -19.555 1.00 72.15 7 A 1 ATOM 54 O O . LEU A 0 7 . 2.841 -7.089 -20.799 1.00 72.15 7 A 1 ATOM 55 C CG . LEU A 0 7 . -0.073 -9.519 -18.425 1.00 72.15 7 A 1 ATOM 56 C CD1 . LEU A 0 7 . -0.891 -10.662 -19.025 1.00 72.15 7 A 1 ATOM 57 C CD2 . LEU A 0 7 . 1.065 -10.129 -17.605 1.00 72.15 7 A 1 ATOM 58 N N . PHE A 0 8 . 1.185 -5.577 -20.825 1.00 75.73 8 A 1 ATOM 59 C CA . PHE A 0 8 . 1.739 -4.807 -21.942 1.00 75.73 8 A 1 ATOM 60 C C . PHE A 0 8 . 2.786 -3.779 -21.494 1.00 75.73 8 A 1 ATOM 61 C CB . PHE A 0 8 . 0.610 -4.151 -22.747 1.00 75.73 8 A 1 ATOM 62 O O . PHE A 0 8 . 3.558 -3.303 -22.326 1.00 75.73 8 A 1 ATOM 63 C CG . PHE A 0 8 . -0.268 -5.145 -23.484 1.00 75.73 8 A 1 ATOM 64 C CD1 . PHE A 0 8 . 0.148 -5.679 -24.718 1.00 75.73 8 A 1 ATOM 65 C CD2 . PHE A 0 8 . -1.495 -5.551 -22.933 1.00 75.73 8 A 1 ATOM 66 C CE1 . PHE A 0 8 . -0.664 -6.607 -25.396 1.00 75.73 8 A 1 ATOM 67 C CE2 . PHE A 0 8 . -2.309 -6.479 -23.606 1.00 75.73 8 A 1 ATOM 68 C CZ . PHE A 0 8 . -1.893 -7.006 -24.842 1.00 75.73 8 A 1 ATOM 69 N N . LEU A 0 9 . 2.881 -3.464 -20.197 1.00 78.49 9 A 1 ATOM 70 C CA . LEU A 0 9 . 3.816 -2.451 -19.694 1.00 78.49 9 A 1 ATOM 71 C C . LEU A 0 9 . 5.288 -2.739 -20.010 1.00 78.49 9 A 1 ATOM 72 C CB . LEU A 0 9 . 3.608 -2.220 -18.188 1.00 78.49 9 A 1 ATOM 73 O O . LEU A 0 9 . 5.949 -1.833 -20.518 1.00 78.49 9 A 1 ATOM 74 C CG . LEU A 0 9 . 2.252 -1.597 -17.851 1.00 78.49 9 A 1 ATOM 75 C CD1 . LEU A 0 9 . 2.127 -1.423 -16.342 1.00 78.49 9 A 1 ATOM 76 C CD2 . LEU A 0 9 . 2.121 -0.232 -18.514 1.00 78.49 9 A 1 ATOM 77 N N . PRO A 0 10 . 5.802 -3.974 -19.842 1.00 76.29 10 A 1 ATOM 78 C CA . PRO A 0 10 . 7.189 -4.277 -20.185 1.00 76.29 10 A 1 ATOM 79 C C . PRO A 0 10 . 7.508 -4.020 -21.662 1.00 76.29 10 A 1 ATOM 80 C CB . PRO A 0 10 . 7.385 -5.754 -19.826 1.00 76.29 10 A 1 ATOM 81 O O . PRO A 0 10 . 8.614 -3.600 -21.997 1.00 76.29 10 A 1 ATOM 82 C CG . PRO A 0 10 . 6.316 -6.019 -18.769 1.00 76.29 10 A 1 ATOM 83 C CD . PRO A 0 10 . 5.169 -5.142 -19.246 1.00 76.29 10 A 1 ATOM 84 N N . SER A 0 11 . 6.533 -4.237 -22.555 1.00 78.36 11 A 1 ATOM 85 C CA . SER A 0 11 . 6.719 -3.978 -23.987 1.00 78.36 11 A 1 ATOM 86 C C . SER A 0 11 . 6.841 -2.482 -24.287 1.00 78.36 11 A 1 ATOM 87 C CB . SER A 0 11 . 5.621 -4.650 -24.820 1.00 78.36 11 A 1 ATOM 88 O O . SER A 0 11 . 7.696 -2.087 -25.078 1.00 78.36 11 A 1 ATOM 89 O OG . SER A 0 11 . 4.352 -4.034 -24.715 1.00 78.36 11 A 1 ATOM 90 N N . LEU A 0 12 . 6.073 -1.636 -23.593 1.00 75.90 12 A 1 ATOM 91 C CA . LEU A 0 12 . 6.145 -0.181 -23.742 1.00 75.90 12 A 1 ATOM 92 C C . LEU A 0 12 . 7.470 0.379 -23.218 1.00 75.90 12 A 1 ATOM 93 C CB . LEU A 0 12 . 4.950 0.469 -23.024 1.00 75.90 12 A 1 ATOM 94 O O . LEU A 0 12 . 8.033 1.287 -23.833 1.00 75.90 12 A 1 ATOM 95 C CG . LEU A 0 12 . 3.585 0.132 -23.650 1.00 75.90 12 A 1 ATOM 96 C CD1 . LEU A 0 12 . 2.469 0.700 -22.777 1.00 75.90 12 A 1 ATOM 97 C CD2 . LEU A 0 12 . 3.435 0.716 -25.057 1.00 75.90 12 A 1 ATOM 98 N N . TRP A 0 13 . 8.017 -0.206 -22.148 1.00 78.58 13 A 1 ATOM 99 C CA . TRP A 0 13 . 9.284 0.258 -21.583 1.00 78.58 13 A 1 ATOM 100 C C . TRP A 0 13 . 10.472 0.105 -22.518 1.00 78.58 13 A 1 ATOM 101 C CB . TRP A 0 13 . 9.589 -0.425 -20.258 1.00 78.58 13 A 1 ATOM 102 O O . TRP A 0 13 . 11.416 0.882 -22.419 1.00 78.58 13 A 1 ATOM 103 C CG . TRP A 0 13 . 8.585 -0.259 -19.172 1.00 78.58 13 A 1 ATOM 104 C CD1 . TRP A 0 13 . 7.573 0.639 -19.097 1.00 78.58 13 A 1 ATOM 105 C CD2 . TRP A 0 13 . 8.467 -1.097 -17.999 1.00 78.58 13 A 1 ATOM 106 C CE2 . TRP A 0 13 . 7.274 -0.732 -17.319 1.00 78.58 13 A 1 ATOM 107 C CE3 . TRP A 0 13 . 9.216 -2.182 -17.503 1.00 78.58 13 A 1 ATOM 108 N NE1 . TRP A 0 13 . 6.825 0.397 -17.965 1.00 78.58 13 A 1 ATOM 109 C CH2 . TRP A 0 13 . 7.500 -2.636 -15.860 1.00 78.58 13 A 1 ATOM 110 C CZ2 . TRP A 0 13 . 6.766 -1.518 -16.289 1.00 78.58 13 A 1 ATOM 111 C CZ3 . TRP A 0 13 . 8.747 -2.935 -16.419 1.00 78.58 13 A 1 ATOM 112 N N . SER A 0 14 . 10.408 -0.848 -23.451 1.00 80.41 14 A 1 ATOM 113 C CA . SER A 0 14 . 11.446 -1.031 -24.468 1.00 80.41 14 A 1 ATOM 114 C C . SER A 0 14 . 11.471 0.071 -25.535 1.00 80.41 14 A 1 ATOM 115 C CB . SER A 0 14 . 11.305 -2.414 -25.112 1.00 80.41 14 A 1 ATOM 116 O O . SER A 0 14 . 12.482 0.238 -26.213 1.00 80.41 14 A 1 ATOM 117 O OG . SER A 0 14 . 10.199 -2.509 -25.993 1.00 80.41 14 A 1 ATOM 118 N N . VAL A 0 15 . 10.376 0.827 -25.687 1.00 86.37 15 A 1 ATOM 119 C CA . VAL A 0 15 . 10.201 1.825 -26.757 1.00 86.37 15 A 1 ATOM 120 C C . VAL A 0 15 . 10.371 3.256 -26.242 1.00 86.37 15 A 1 ATOM 121 C CB . VAL A 0 15 . 8.823 1.638 -27.428 1.00 86.37 15 A 1 ATOM 122 O O . VAL A 0 15 . 10.799 4.141 -26.982 1.00 86.37 15 A 1 ATOM 123 C CG1 . VAL A 0 15 . 8.617 2.592 -28.612 1.00 86.37 15 A 1 ATOM 124 C CG2 . VAL A 0 15 . 8.645 0.209 -27.962 1.00 86.37 15 A 1 ATOM 125 N N . LEU A 0 16 . 10.030 3.505 -24.980 1.00 83.03 16 A 1 ATOM 126 C CA . LEU A 0 16 . 10.073 4.830 -24.367 1.00 83.03 16 A 1 ATOM 127 C C . LEU A 0 16 . 11.393 5.064 -23.616 1.00 83.03 16 A 1 ATOM 128 C CB . LEU A 0 16 . 8.869 4.956 -23.429 1.00 83.03 16 A 1 ATOM 129 O O . LEU A 0 16 . 12.005 4.139 -23.086 1.00 83.03 16 A 1 ATOM 130 C CG . LEU A 0 16 . 7.472 4.890 -24.070 1.00 83.03 16 A 1 ATOM 131 C CD1 . LEU A 0 16 . 6.393 4.910 -22.985 1.00 83.03 16 A 1 ATOM 132 C CD2 . LEU A 0 16 . 7.228 6.072 -25.008 1.00 83.03 16 A 1 ATOM 133 N N . SER A 0 17 . 11.810 6.329 -23.512 1.00 86.04 17 A 1 ATOM 134 C CA . SER A 0 17 . 12.887 6.717 -22.595 1.00 86.04 17 A 1 ATOM 135 C C . SER A 0 17 . 12.469 6.481 -21.140 1.00 86.04 17 A 1 ATOM 136 C CB . SER A 0 17 . 13.289 8.183 -22.804 1.00 86.04 17 A 1 ATOM 137 O O . SER A 0 17 . 11.281 6.490 -20.819 1.00 86.04 17 A 1 ATOM 138 O OG . SER A 0 17 . 12.240 9.056 -22.425 1.00 86.04 17 A 1 ATOM 139 N N . THR A 0 18 . 13.435 6.325 -20.234 1.00 83.01 18 A 1 ATOM 140 C CA . THR A 0 18 . 13.177 6.115 -18.798 1.00 83.01 18 A 1 ATOM 141 C C . THR A 0 18 . 12.254 7.180 -18.201 1.00 83.01 18 A 1 ATOM 142 C CB . THR A 0 18 . 14.501 6.107 -18.022 1.00 83.01 18 A 1 ATOM 143 O O . THR A 0 18 . 11.324 6.849 -17.473 1.00 83.01 18 A 1 ATOM 144 C CG2 . THR A 0 18 . 14.351 5.591 -16.595 1.00 83.01 18 A 1 ATOM 145 O OG1 . THR A 0 18 . 15.421 5.262 -18.675 1.00 83.01 18 A 1 ATOM 146 N N . GLU A 0 19 . 12.455 8.452 -18.554 1.00 85.67 19 A 1 ATOM 147 C CA . GLU A 0 19 . 11.612 9.551 -18.071 1.00 85.67 19 A 1 ATOM 148 C C . GLU A 0 19 . 10.180 9.471 -18.621 1.00 85.67 19 A 1 ATOM 149 C CB . GLU A 0 19 . 12.274 10.882 -18.455 1.00 85.67 19 A 1 ATOM 150 O O . GLU A 0 19 . 9.214 9.679 -17.886 1.00 85.67 19 A 1 ATOM 151 C CG . GLU A 0 19 . 11.539 12.073 -17.825 1.00 85.67 19 A 1 ATOM 152 C CD . GLU A 0 19 . 12.164 13.432 -18.154 1.00 85.67 19 A 1 ATOM 153 O OE1 . GLU A 0 19 . 11.598 14.431 -17.644 1.00 85.67 19 A 1 ATOM 154 O OE2 . GLU A 0 19 . 13.132 13.487 -18.943 1.00 85.67 19 A 1 ATOM 155 N N . ASN A 0 20 . 10.022 9.123 -19.901 1.00 87.90 20 A 1 ATOM 156 C CA . ASN A 0 20 . 8.700 8.953 -20.501 1.00 87.90 20 A 1 ATOM 157 C C . ASN A 0 20 . 7.975 7.733 -19.923 1.00 87.90 20 A 1 ATOM 158 C CB . ASN A 0 20 . 8.838 8.855 -22.027 1.00 87.90 20 A 1 ATOM 159 O O . ASN A 0 20 . 6.762 7.788 -19.740 1.00 87.90 20 A 1 ATOM 160 C CG . ASN A 0 20 . 9.175 10.182 -22.682 1.00 87.90 20 A 1 ATOM 161 N ND2 . ASN A 0 20 . 9.607 10.160 -23.921 1.00 87.90 20 A 1 ATOM 162 O OD1 . ASN A 0 20 . 9.026 11.257 -22.126 1.00 87.90 20 A 1 ATOM 163 N N . ASN A 0 21 . 8.710 6.666 -19.602 1.00 84.13 21 A 1 ATOM 164 C CA . ASN A 0 21 . 8.174 5.498 -18.913 1.00 84.13 21 A 1 ATOM 165 C C . ASN A 0 21 . 7.644 5.850 -17.530 1.00 84.13 21 A 1 ATOM 166 C CB . ASN A 0 21 . 9.254 4.409 -18.812 1.00 84.13 21 A 1 ATOM 167 O O . ASN A 0 21 . 6.503 5.513 -17.229 1.00 84.13 21 A 1 ATOM 168 C CG . ASN A 0 21 . 9.360 3.625 -20.091 1.00 84.13 21 A 1 ATOM 169 N ND2 . ASN A 0 21 . 10.553 3.243 -20.490 1.00 84.13 21 A 1 ATOM 170 O OD1 . ASN A 0 21 . 8.353 3.339 -20.714 1.00 84.13 21 A 1 ATOM 171 N N . ASP A 0 22 . 8.426 6.560 -16.716 1.00 84.52 22 A 1 ATOM 172 C CA . ASP A 0 22 . 7.995 6.945 -15.370 1.00 84.52 22 A 1 ATOM 173 C C . ASP A 0 22 . 6.748 7.845 -15.431 1.00 84.52 22 A 1 ATOM 174 C CB . ASP A 0 22 . 9.166 7.601 -14.628 1.00 84.52 22 A 1 ATOM 175 O O . ASP A 0 22 . 5.736 7.553 -14.797 1.00 84.52 22 A 1 ATOM 176 C CG . ASP A 0 22 . 8.899 7.693 -13.122 1.00 84.52 22 A 1 ATOM 177 O OD1 . ASP A 0 22 . 8.869 6.630 -12.459 1.00 84.52 22 A 1 ATOM 178 O OD2 . ASP A 0 22 . 8.757 8.827 -12.615 1.00 84.52 22 A 1 ATOM 179 N N . ARG A 0 23 . 6.738 8.859 -16.311 1.00 87.63 23 A 1 ATOM 180 C CA . ARG A 0 23 . 5.554 9.713 -16.533 1.00 87.63 23 A 1 ATOM 181 C C . ARG A 0 23 . 4.332 8.921 -17.002 1.00 87.63 23 A 1 ATOM 182 C CB . ARG A 0 23 . 5.877 10.810 -17.554 1.00 87.63 23 A 1 ATOM 183 O O . ARG A 0 23 . 3.225 9.167 -16.526 1.00 87.63 23 A 1 ATOM 184 C CG . ARG A 0 23 . 6.846 11.869 -17.012 1.00 87.63 23 A 1 ATOM 185 C CD . ARG A 0 23 . 7.132 12.881 -18.123 1.00 87.63 23 A 1 ATOM 186 N NE . ARG A 0 23 . 8.138 13.883 -17.728 1.00 87.63 23 A 1 ATOM 187 N NH1 . ARG A 0 23 . 7.591 15.481 -19.279 1.00 87.63 23 A 1 ATOM 188 N NH2 . ARG A 0 23 . 9.327 15.812 -17.932 1.00 87.63 23 A 1 ATOM 189 C CZ . ARG A 0 23 . 8.344 15.052 -18.304 1.00 87.63 23 A 1 ATOM 190 N N . PHE A 0 24 . 4.514 7.980 -17.928 1.00 87.39 24 A 1 ATOM 191 C CA . PHE A 0 24 . 3.433 7.125 -18.416 1.00 87.39 24 A 1 ATOM 192 C C . PHE A 0 24 . 2.864 6.245 -17.297 1.00 87.39 24 A 1 ATOM 193 C CB . PHE A 0 24 . 3.946 6.274 -19.584 1.00 87.39 24 A 1 ATOM 194 O O . PHE A 0 24 . 1.646 6.164 -17.140 1.00 87.39 24 A 1 ATOM 195 C CG . PHE A 0 24 . 2.913 5.300 -20.105 1.00 87.39 24 A 1 ATOM 196 C CD1 . PHE A 0 24 . 2.952 3.949 -19.715 1.00 87.39 24 A 1 ATOM 197 C CD2 . PHE A 0 24 . 1.880 5.758 -20.944 1.00 87.39 24 A 1 ATOM 198 C CE1 . PHE A 0 24 . 1.961 3.062 -20.167 1.00 87.39 24 A 1 ATOM 199 C CE2 . PHE A 0 24 . 0.890 4.868 -21.395 1.00 87.39 24 A 1 ATOM 200 C CZ . PHE A 0 24 . 0.929 3.519 -21.004 1.00 87.39 24 A 1 ATOM 201 N N . VAL A 0 25 . 3.735 5.639 -16.486 1.00 85.34 25 A 1 ATOM 202 C CA . VAL A 0 25 . 3.347 4.838 -15.320 1.00 85.34 25 A 1 ATOM 203 C C . VAL A 0 25 . 2.560 5.689 -14.321 1.00 85.34 25 A 1 ATOM 204 C CB . VAL A 0 25 . 4.589 4.167 -14.692 1.00 85.34 25 A 1 ATOM 205 O O . VAL A 0 25 . 1.502 5.256 -13.876 1.00 85.34 25 A 1 ATOM 206 C CG1 . VAL A 0 25 . 4.302 3.537 -13.326 1.00 85.34 25 A 1 ATOM 207 C CG2 . VAL A 0 25 . 5.102 3.040 -15.602 1.00 85.34 25 A 1 ATOM 208 N N . LEU A 0 26 . 2.984 6.924 -14.038 1.00 89.96 26 A 1 ATOM 209 C CA . LEU A 0 26 . 2.253 7.839 -13.151 1.00 89.96 26 A 1 ATOM 210 C C . LEU A 0 26 . 0.853 8.202 -13.676 1.00 89.96 26 A 1 ATOM 211 C CB . LEU A 0 26 . 3.089 9.111 -12.926 1.00 89.96 26 A 1 ATOM 212 O O . LEU A 0 26 . -0.111 8.211 -12.908 1.00 89.96 26 A 1 ATOM 213 C CG . LEU A 0 26 . 4.373 8.913 -12.098 1.00 89.96 26 A 1 ATOM 214 C CD1 . LEU A 0 26 . 5.139 10.235 -12.048 1.00 89.96 26 A 1 ATOM 215 C CD2 . LEU A 0 26 . 4.068 8.466 -10.669 1.00 89.96 26 A 1 ATOM 216 N N . ILE A 0 27 . 0.708 8.476 -14.977 1.00 90.53 27 A 1 ATOM 217 C CA . ILE A 0 27 . -0.607 8.730 -15.594 1.00 90.53 27 A 1 ATOM 218 C C . ILE A 0 27 . -1.497 7.492 -15.468 1.00 90.53 27 A 1 ATOM 219 C CB . ILE A 0 27 . -0.447 9.162 -17.070 1.00 90.53 27 A 1 ATOM 220 O O . ILE A 0 27 . -2.656 7.594 -15.066 1.00 90.53 27 A 1 ATOM 221 C CG1 . ILE A 0 27 . 0.213 10.557 -17.141 1.00 90.53 27 A 1 ATOM 222 C CG2 . ILE A 0 27 . -1.806 9.189 -17.801 1.00 90.53 27 A 1 ATOM 223 C CD1 . ILE A 0 27 . 0.715 10.929 -18.542 1.00 90.53 27 A 1 ATOM 224 N N . LEU A 0 28 . -0.944 6.316 -15.763 1.00 88.41 28 A 1 ATOM 225 C CA . LEU A 0 28 . -1.670 5.059 -15.667 1.00 88.41 28 A 1 ATOM 226 C C . LEU A 0 28 . -2.127 4.762 -14.235 1.00 88.41 28 A 1 ATOM 227 C CB . LEU A 0 28 . -0.764 3.947 -16.201 1.00 88.41 28 A 1 ATOM 228 O O . LEU A 0 28 . -3.254 4.322 -14.035 1.00 88.41 28 A 1 ATOM 229 C CG . LEU A 0 28 . -1.427 2.566 -16.133 1.00 88.41 28 A 1 ATOM 230 C CD1 . LEU A 0 28 . -2.657 2.480 -17.039 1.00 88.41 28 A 1 ATOM 231 C CD2 . LEU A 0 28 . -0.406 1.531 -16.564 1.00 88.41 28 A 1 ATOM 232 N N . ILE A 0 29 . -1.273 5.005 -13.240 1.00 89.71 29 A 1 ATOM 233 C CA . ILE A 0 29 . -1.606 4.825 -11.824 1.00 89.71 29 A 1 ATOM 234 C C . ILE A 0 29 . -2.795 5.701 -11.441 1.00 89.71 29 A 1 ATOM 235 C CB . ILE A 0 29 . -0.373 5.132 -10.953 1.00 89.71 29 A 1 ATOM 236 O O . ILE A 0 29 . -3.742 5.198 -10.839 1.00 89.71 29 A 1 ATOM 237 C CG1 . ILE A 0 29 . 0.647 3.986 -11.109 1.00 89.71 29 A 1 ATOM 238 C CG2 . ILE A 0 29 . -0.746 5.313 -9.467 1.00 89.71 29 A 1 ATOM 239 C CD1 . ILE A 0 29 . 2.054 4.392 -10.694 1.00 89.71 29 A 1 ATOM 240 N N . ASN A 0 30 . -2.775 6.981 -11.820 1.00 91.55 30 A 1 ATOM 241 C CA . ASN A 0 30 . -3.888 7.890 -11.555 1.00 91.55 30 A 1 ATOM 242 C C . ASN A 0 30 . -5.195 7.383 -12.172 1.00 91.55 30 A 1 ATOM 243 C CB . ASN A 0 30 . -3.540 9.290 -12.078 1.00 91.55 30 A 1 ATOM 244 O O . ASN A 0 30 . -6.217 7.358 -11.491 1.00 91.55 30 A 1 ATOM 245 C CG . ASN A 0 30 . -2.617 10.026 -11.135 1.00 91.55 30 A 1 ATOM 246 N ND2 . ASN A 0 30 . -1.527 10.565 -11.623 1.00 91.55 30 A 1 ATOM 247 O OD1 . ASN A 0 30 . -2.863 10.126 -9.948 1.00 91.55 30 A 1 ATOM 248 N N . GLU A 0 31 . -5.155 6.920 -13.422 1.00 91.84 31 A 1 ATOM 249 C CA . GLU A 0 31 . -6.338 6.374 -14.092 1.00 91.84 31 A 1 ATOM 250 C C . GLU A 0 31 . -6.843 5.095 -13.407 1.00 91.84 31 A 1 ATOM 251 C CB . GLU A 0 31 . -6.010 6.132 -15.574 1.00 91.84 31 A 1 ATOM 252 O O . GLU A 0 31 . -8.032 4.965 -13.123 1.00 91.84 31 A 1 ATOM 253 C CG . GLU A 0 31 . -7.209 5.625 -16.392 1.00 91.84 31 A 1 ATOM 254 C CD . GLU A 0 31 . -8.434 6.554 -16.338 1.00 91.84 31 A 1 ATOM 255 O OE1 . GLU A 0 31 . -9.564 6.031 -16.483 1.00 91.84 31 A 1 ATOM 256 O OE2 . GLU A 0 31 . -8.250 7.776 -16.155 1.00 91.84 31 A 1 ATOM 257 N N . ILE A 0 32 . -5.948 4.161 -13.067 1.00 90.13 32 A 1 ATOM 258 C CA . ILE A 0 32 . -6.312 2.921 -12.368 1.00 90.13 32 A 1 ATOM 259 C C . ILE A 0 32 . -6.967 3.230 -11.018 1.00 90.13 32 A 1 ATOM 260 C CB . ILE A 0 32 . -5.077 2.005 -12.204 1.00 90.13 32 A 1 ATOM 261 O O . ILE A 0 32 . -8.003 2.646 -10.693 1.00 90.13 32 A 1 ATOM 262 C CG1 . ILE A 0 32 . -4.660 1.408 -13.568 1.00 90.13 32 A 1 ATOM 263 C CG2 . ILE A 0 32 . -5.370 0.861 -11.216 1.00 90.13 32 A 1 ATOM 264 C CD1 . ILE A 0 32 . -3.310 0.678 -13.535 1.00 90.13 32 A 1 ATOM 265 N N . LEU A 0 33 . -6.379 4.136 -10.233 1.00 91.77 33 A 1 ATOM 266 C CA . LEU A 0 33 . -6.904 4.523 -8.925 1.00 91.77 33 A 1 ATOM 267 C C . LEU A 0 33 . -8.246 5.251 -9.041 1.00 91.77 33 A 1 ATOM 268 C CB . LEU A 0 33 . -5.870 5.390 -8.191 1.00 91.77 33 A 1 ATOM 269 O O . LEU A 0 33 . -9.139 4.991 -8.237 1.00 91.77 33 A 1 ATOM 270 C CG . LEU A 0 33 . -4.614 4.628 -7.728 1.00 91.77 33 A 1 ATOM 271 C CD1 . LEU A 0 33 . -3.641 5.626 -7.113 1.00 91.77 33 A 1 ATOM 272 C CD2 . LEU A 0 33 . -4.936 3.568 -6.673 1.00 91.77 33 A 1 ATOM 273 N N . HIS A 0 34 . -8.417 6.099 -10.058 1.00 91.82 34 A 1 ATOM 274 C CA . HIS A 0 34 . -9.683 6.770 -10.339 1.00 91.82 34 A 1 ATOM 275 C C . HIS A 0 34 . -10.795 5.770 -10.692 1.00 91.82 34 A 1 ATOM 276 C CB . HIS A 0 34 . -9.468 7.787 -11.467 1.00 91.82 34 A 1 ATOM 277 O O . HIS A 0 34 . -11.877 5.809 -10.106 1.00 91.82 34 A 1 ATOM 278 C CG . HIS A 0 34 . -10.726 8.533 -11.815 1.00 91.82 34 A 1 ATOM 279 C CD2 . HIS A 0 34 . -11.369 8.546 -13.025 1.00 91.82 34 A 1 ATOM 280 N ND1 . HIS A 0 34 . -11.469 9.301 -10.948 1.00 91.82 34 A 1 ATOM 281 C CE1 . HIS A 0 34 . -12.532 9.770 -11.619 1.00 91.82 34 A 1 ATOM 282 N NE2 . HIS A 0 34 . -12.518 9.337 -12.888 1.00 91.82 34 A 1 ATOM 283 N N . GLN A 0 35 . -10.522 4.819 -11.590 1.00 92.33 35 A 1 ATOM 284 C CA . GLN A 0 35 . -11.488 3.779 -11.959 1.00 92.33 35 A 1 ATOM 285 C C . GLN A 0 35 . -11.826 2.857 -10.783 1.00 92.33 35 A 1 ATOM 286 C CB . GLN A 0 35 . -10.941 2.945 -13.128 1.00 92.33 35 A 1 ATOM 287 O O . GLN A 0 35 . -12.980 2.455 -10.616 1.00 92.33 35 A 1 ATOM 288 C CG . GLN A 0 35 . -10.828 3.741 -14.436 1.00 92.33 35 A 1 ATOM 289 C CD . GLN A 0 35 . -12.155 4.289 -14.944 1.00 92.33 35 A 1 ATOM 290 N NE2 . GLN A 0 35 . -12.116 5.368 -15.687 1.00 92.33 35 A 1 ATOM 291 O OE1 . GLN A 0 35 . -13.231 3.759 -14.697 1.00 92.33 35 A 1 ATOM 292 N N . LEU A 0 36 . -10.833 2.534 -9.950 1.00 91.51 36 A 1 ATOM 293 C CA . LEU A 0 36 . -11.037 1.789 -8.711 1.00 91.51 36 A 1 ATOM 294 C C . LEU A 0 36 . -11.976 2.524 -7.757 1.00 91.51 36 A 1 ATOM 295 C CB . LEU A 0 36 . -9.681 1.540 -8.034 1.00 91.51 36 A 1 ATOM 296 O O . LEU A 0 36 . -12.909 1.910 -7.249 1.00 91.51 36 A 1 ATOM 297 C CG . LEU A 0 36 . -9.008 0.241 -8.489 1.00 91.51 36 A 1 ATOM 298 C CD1 . LEU A 0 36 . -7.588 0.191 -7.936 1.00 91.51 36 A 1 ATOM 299 C CD2 . LEU A 0 36 . -9.784 -0.966 -7.949 1.00 91.51 36 A 1 ATOM 300 N N . ASP A 0 37 . -11.769 3.823 -7.553 1.00 91.01 37 A 1 ATOM 301 C CA . ASP A 0 37 . -12.613 4.640 -6.681 1.00 91.01 37 A 1 ATOM 302 C C . ASP A 0 37 . -14.069 4.670 -7.167 1.00 91.01 37 A 1 ATOM 303 C CB . ASP A 0 37 . -12.017 6.049 -6.606 1.00 91.01 37 A 1 ATOM 304 O O . ASP A 0 37 . -14.992 4.357 -6.412 1.00 91.01 37 A 1 ATOM 305 C CG . ASP A 0 37 . -12.619 6.848 -5.459 1.00 91.01 37 A 1 ATOM 306 O OD1 . ASP A 0 37 . -12.543 6.373 -4.307 1.00 91.01 37 A 1 ATOM 307 O OD2 . ASP A 0 37 . -13.015 8.014 -5.655 1.00 91.01 37 A 1 ATOM 308 N N . LEU A 0 38 . -14.278 4.917 -8.466 1.00 92.45 38 A 1 ATOM 309 C CA . LEU A 0 38 . -15.606 4.878 -9.088 1.00 92.45 38 A 1 ATOM 310 C C . LEU A 0 38 . -16.272 3.502 -8.970 1.00 92.45 38 A 1 ATOM 311 C CB . LEU A 0 38 . -15.484 5.239 -10.578 1.00 92.45 38 A 1 ATOM 312 O O . LEU A 0 38 . -17.491 3.407 -8.812 1.00 92.45 38 A 1 ATOM 313 C CG . LEU A 0 38 . -15.111 6.698 -10.885 1.00 92.45 38 A 1 ATOM 314 C CD1 . LEU A 0 38 . -15.019 6.851 -12.404 1.00 92.45 38 A 1 ATOM 315 C CD2 . LEU A 0 38 . -16.162 7.682 -10.365 1.00 92.45 38 A 1 ATOM 316 N N . PHE A 0 39 . -15.496 2.423 -9.082 1.00 92.09 39 A 1 ATOM 317 C CA . PHE A 0 39 . -16.012 1.067 -8.926 1.00 92.09 39 A 1 ATOM 318 C C . PHE A 0 39 . -16.423 0.788 -7.479 1.00 92.09 39 A 1 ATOM 319 C CB . PHE A 0 39 . -14.973 0.054 -9.418 1.00 92.09 39 A 1 ATOM 320 O O . PHE A 0 39 . -17.511 0.256 -7.256 1.00 92.09 39 A 1 ATOM 321 C CG . PHE A 0 39 . -15.431 -1.385 -9.277 1.00 92.09 39 A 1 ATOM 322 C CD1 . PHE A 0 39 . -15.073 -2.135 -8.142 1.00 92.09 39 A 1 ATOM 323 C CD2 . PHE A 0 39 . -16.236 -1.968 -10.273 1.00 92.09 39 A 1 ATOM 324 C CE1 . PHE A 0 39 . -15.504 -3.467 -8.011 1.00 92.09 39 A 1 ATOM 325 C CE2 . PHE A 0 39 . -16.663 -3.303 -10.147 1.00 92.09 39 A 1 ATOM 326 C CZ . PHE A 0 39 . -16.293 -4.054 -9.015 1.00 92.09 39 A 1 ATOM 327 N N . ILE A 0 40 . -15.584 1.165 -6.511 1.00 92.65 40 A 1 ATOM 328 C CA . ILE A 0 40 . -15.840 0.976 -5.080 1.00 92.65 40 A 1 ATOM 329 C C . ILE A 0 40 . -17.110 1.726 -4.662 1.00 92.65 40 A 1 ATOM 330 C CB . ILE A 0 40 . -14.595 1.394 -4.262 1.00 92.65 40 A 1 ATOM 331 O O . ILE A 0 40 . -17.989 1.123 -4.054 1.00 92.65 40 A 1 ATOM 332 C CG1 . ILE A 0 40 . -13.448 0.375 -4.469 1.00 92.65 40 A 1 ATOM 333 C CG2 . ILE A 0 40 . -14.929 1.484 -2.765 1.00 92.65 40 A 1 ATOM 334 C CD1 . ILE A 0 40 . -12.076 0.894 -4.013 1.00 92.65 40 A 1 ATOM 335 N N . GLN A 0 41 . -17.276 2.984 -5.081 1.00 90.50 41 A 1 ATOM 336 C CA . GLN A 0 41 . -18.458 3.798 -4.759 1.00 90.50 41 A 1 ATOM 337 C C . GLN A 0 41 . -19.787 3.199 -5.252 1.00 90.50 41 A 1 ATOM 338 C CB . GLN A 0 41 . -18.281 5.188 -5.383 1.00 90.50 41 A 1 ATOM 339 O O . GLN A 0 41 . -20.849 3.500 -4.715 1.00 90.50 41 A 1 ATOM 340 C CG . GLN A 0 41 . -17.240 6.040 -4.645 1.00 90.50 41 A 1 ATOM 341 C CD . GLN A 0 41 . -16.966 7.362 -5.354 1.00 90.50 41 A 1 ATOM 342 N NE2 . GLN A 0 41 . -16.004 8.119 -4.882 1.00 90.50 41 A 1 ATOM 343 O OE1 . GLN A 0 41 . -17.594 7.727 -6.340 1.00 90.50 41 A 1 ATOM 344 N N . ARG A 0 42 . -19.759 2.344 -6.282 1.00 92.36 42 A 1 ATOM 345 C CA . ARG A 0 42 . -20.958 1.733 -6.884 1.00 92.36 42 A 1 ATOM 346 C C . ARG A 0 42 . -21.291 0.352 -6.319 1.00 92.36 42 A 1 ATOM 347 C CB . ARG A 0 42 . -20.776 1.675 -8.405 1.00 92.36 42 A 1 ATOM 348 O O . ARG A 0 42 . -22.226 -0.292 -6.800 1.00 92.36 42 A 1 ATOM 349 C CG . ARG A 0 42 . -20.754 3.070 -9.037 1.00 92.36 42 A 1 ATOM 350 C CD . ARG A 0 42 . -20.403 2.934 -10.519 1.00 92.36 42 A 1 ATOM 351 N NE . ARG A 0 42 . -20.262 4.250 -11.158 1.00 92.36 42 A 1 ATOM 352 N NH1 . ARG A 0 42 . -19.838 3.500 -13.285 1.00 92.36 42 A 1 ATOM 353 N NH2 . ARG A 0 42 . -19.807 5.691 -12.856 1.00 92.36 42 A 1 ATOM 354 C CZ . ARG A 0 42 . -19.974 4.474 -12.426 1.00 92.36 42 A 1 ATOM 355 N N . LYS A 0 43 . -20.503 -0.158 -5.371 1.00 92.15 43 A 1 ATOM 356 C CA . LYS A 0 43 . -20.610 -1.529 -4.863 1.00 92.15 43 A 1 ATOM 357 C C . LYS A 0 43 . -20.859 -1.538 -3.360 1.00 92.15 43 A 1 ATOM 358 C CB . LYS A 0 43 . -19.339 -2.316 -5.229 1.00 92.15 43 A 1 ATOM 359 O O . LYS A 0 43 . -20.353 -0.707 -2.622 1.00 92.15 43 A 1 ATOM 360 C CG . LYS A 0 43 . -19.152 -2.556 -6.737 1.00 92.15 43 A 1 ATOM 361 C CD . LYS A 0 43 . -20.214 -3.483 -7.334 1.00 92.15 43 A 1 ATOM 362 C CE . LYS A 0 43 . -19.891 -3.740 -8.807 1.00 92.15 43 A 1 ATOM 363 N NZ . LYS A 0 43 . -20.932 -4.588 -9.435 1.00 92.15 43 A 1 ATOM 364 N N . SER A 0 44 . -21.613 -2.535 -2.910 1.00 92.58 44 A 1 ATOM 365 C CA . SER A 0 44 . -21.725 -2.892 -1.496 1.00 92.58 44 A 1 ATOM 366 C C . SER A 0 44 . -20.706 -3.978 -1.162 1.00 92.58 44 A 1 ATOM 367 C CB . SER A 0 44 . -23.141 -3.384 -1.193 1.00 92.58 44 A 1 ATOM 368 O O . SER A 0 44 . -20.596 -4.962 -1.900 1.00 92.58 44 A 1 ATOM 369 O OG . SER A 0 44 . -23.446 -4.496 -2.019 1.00 92.58 44 A 1 ATOM 370 N N . PHE A 0 45 . -20.018 -3.847 -0.033 1.00 92.64 45 A 1 ATOM 371 C CA . PHE A 0 45 . -19.023 -4.814 0.422 1.00 92.64 45 A 1 ATOM 372 C C . PHE A 0 45 . -19.519 -5.539 1.672 1.00 92.64 45 A 1 ATOM 373 C CB . PHE A 0 45 . -17.675 -4.112 0.636 1.00 92.64 45 A 1 ATOM 374 O O . PHE A 0 45 . -20.049 -4.927 2.593 1.00 92.64 45 A 1 ATOM 375 C CG . PHE A 0 45 . -17.084 -3.567 -0.651 1.00 92.64 45 A 1 ATOM 376 C CD1 . PHE A 0 45 . -16.187 -4.348 -1.405 1.00 92.64 45 A 1 ATOM 377 C CD2 . PHE A 0 45 . -17.465 -2.297 -1.123 1.00 92.64 45 A 1 ATOM 378 C CE1 . PHE A 0 45 . -15.688 -3.868 -2.629 1.00 92.64 45 A 1 ATOM 379 C CE2 . PHE A 0 45 . -16.967 -1.819 -2.345 1.00 92.64 45 A 1 ATOM 380 C CZ . PHE A 0 45 . -16.077 -2.602 -3.100 1.00 92.64 45 A 1 ATOM 381 N N . SER A 0 46 . -19.343 -6.859 1.707 1.00 94.75 46 A 1 ATOM 382 C CA . SER A 0 46 . -19.378 -7.612 2.963 1.00 94.75 46 A 1 ATOM 383 C C . SER A 0 46 . -18.035 -7.465 3.685 1.00 94.75 46 A 1 ATOM 384 C CB . SER A 0 46 . -19.693 -9.084 2.680 1.00 94.75 46 A 1 ATOM 385 O O . SER A 0 46 . -17.049 -7.072 3.061 1.00 94.75 46 A 1 ATOM 386 O OG . SER A 0 46 . -18.634 -9.704 1.967 1.00 94.75 46 A 1 ATOM 387 N N . ARG A 0 47 . -17.950 -7.867 4.961 1.00 93.06 47 A 1 ATOM 388 C CA . ARG A 0 47 . -16.680 -7.862 5.713 1.00 93.06 47 A 1 ATOM 389 C C . ARG A 0 47 . -15.562 -8.601 4.971 1.00 93.06 47 A 1 ATOM 390 C CB . ARG A 0 47 . -16.910 -8.443 7.122 1.00 93.06 47 A 1 ATOM 391 O O . ARG A 0 47 . -14.477 -8.065 4.791 1.00 93.06 47 A 1 ATOM 392 C CG . ARG A 0 47 . -15.671 -8.420 8.040 1.00 93.06 47 A 1 ATOM 393 C CD . ARG A 0 47 . -15.096 -7.007 8.195 1.00 93.06 47 A 1 ATOM 394 N NE . ARG A 0 47 . -14.109 -6.908 9.288 1.00 93.06 47 A 1 ATOM 395 N NH1 . ARG A 0 47 . -12.646 -5.463 8.253 1.00 93.06 47 A 1 ATOM 396 N NH2 . ARG A 0 47 . -12.456 -5.808 10.402 1.00 93.06 47 A 1 ATOM 397 C CZ . ARG A 0 47 . -13.082 -6.078 9.303 1.00 93.06 47 A 1 ATOM 398 N N . PHE A 0 48 . -15.848 -9.801 4.463 1.00 95.58 48 A 1 ATOM 399 C CA . PHE A 0 48 . -14.888 -10.565 3.658 1.00 95.58 48 A 1 ATOM 400 C C . PHE A 0 48 . -14.556 -9.881 2.325 1.00 95.58 48 A 1 ATOM 401 C CB . PHE A 0 48 . -15.440 -11.973 3.407 1.00 95.58 48 A 1 ATOM 402 O O . PHE A 0 48 . -13.412 -9.930 1.881 1.00 95.58 48 A 1 ATOM 403 C CG . PHE A 0 48 . -15.565 -12.814 4.661 1.00 95.58 48 A 1 ATOM 404 C CD1 . PHE A 0 48 . -14.407 -13.348 5.258 1.00 95.58 48 A 1 ATOM 405 C CD2 . PHE A 0 48 . -16.826 -13.062 5.236 1.00 95.58 48 A 1 ATOM 406 C CE1 . PHE A 0 48 . -14.509 -14.127 6.423 1.00 95.58 48 A 1 ATOM 407 C CE2 . PHE A 0 48 . -16.927 -13.842 6.402 1.00 95.58 48 A 1 ATOM 408 C CZ . PHE A 0 48 . -15.769 -14.374 6.995 1.00 95.58 48 A 1 ATOM 409 N N . GLY A 0 49 . -15.537 -9.226 1.694 1.00 95.35 49 A 1 ATOM 410 C CA . GLY A 0 49 . -15.331 -8.471 0.459 1.00 95.35 49 A 1 ATOM 411 C C . GLY A 0 49 . -14.417 -7.258 0.648 1.00 95.35 49 A 1 ATOM 412 O O . GLY A 0 49 . -13.557 -7.020 -0.195 1.00 95.35 49 A 1 ATOM 413 N N . ALA A 0 50 . -14.563 -6.533 1.759 1.00 95.40 50 A 1 ATOM 414 C CA . ALA A 0 50 . -13.707 -5.403 2.113 1.00 95.40 50 A 1 ATOM 415 C C . ALA A 0 50 . -12.259 -5.844 2.395 1.00 95.40 50 A 1 ATOM 416 C CB . ALA A 0 50 . -14.328 -4.689 3.316 1.00 95.40 50 A 1 ATOM 417 O O . ALA A 0 50 . -11.320 -5.227 1.892 1.00 95.40 50 A 1 ATOM 418 N N . ILE A 0 51 . -12.072 -6.961 3.109 1.00 95.57 51 A 1 ATOM 419 C CA . ILE A 0 51 . -10.742 -7.539 3.368 1.00 95.57 51 A 1 ATOM 420 C C . ILE A 0 51 . -10.083 -7.989 2.055 1.00 95.57 51 A 1 ATOM 421 C CB . ILE A 0 51 . -10.853 -8.708 4.376 1.00 95.57 51 A 1 ATOM 422 O O . ILE A 0 51 . -8.904 -7.723 1.815 1.00 95.57 51 A 1 ATOM 423 C CG1 . ILE A 0 51 . -11.296 -8.192 5.765 1.00 95.57 51 A 1 ATOM 424 C CG2 . ILE A 0 51 . -9.516 -9.467 4.503 1.00 95.57 51 A 1 ATOM 425 C CD1 . ILE A 0 51 . -11.713 -9.296 6.745 1.00 95.57 51 A 1 ATOM 426 N N . GLN A 0 52 . -10.837 -8.654 1.173 1.00 95.15 52 A 1 ATOM 427 C CA . GLN A 0 52 . -10.311 -9.074 -0.126 1.00 95.15 52 A 1 ATOM 428 C C . GLN A 0 52 . -9.936 -7.866 -0.994 1.00 95.15 52 A 1 ATOM 429 C CB . GLN A 0 52 . -11.319 -9.989 -0.840 1.00 95.15 52 A 1 ATOM 430 O O . GLN A 0 52 . -8.887 -7.888 -1.631 1.00 95.15 52 A 1 ATOM 431 C CG . GLN A 0 52 . -10.770 -10.552 -2.165 1.00 95.15 52 A 1 ATOM 432 C CD . GLN A 0 52 . -9.543 -11.453 -2.002 1.00 95.15 52 A 1 ATOM 433 N NE2 . GLN A 0 52 . -8.703 -11.582 -3.004 1.00 95.15 52 A 1 ATOM 434 O OE1 . GLN A 0 52 . -9.315 -12.091 -0.984 1.00 95.15 52 A 1 ATOM 435 N N . LEU A 0 53 . -10.758 -6.811 -1.003 1.00 93.98 53 A 1 ATOM 436 C CA . LEU A 0 53 . -10.458 -5.572 -1.720 1.00 93.98 53 A 1 ATOM 437 C C . LEU A 0 53 . -9.145 -4.947 -1.234 1.00 93.98 53 A 1 ATOM 438 C CB . LEU A 0 53 . -11.635 -4.595 -1.554 1.00 93.98 53 A 1 ATOM 439 O O . LEU A 0 53 . -8.295 -4.620 -2.057 1.00 93.98 53 A 1 ATOM 440 C CG . LEU A 0 53 . -11.388 -3.216 -2.195 1.00 93.98 53 A 1 ATOM 441 C CD1 . LEU A 0 53 . -11.366 -3.299 -3.723 1.00 93.98 53 A 1 ATOM 442 C CD2 . LEU A 0 53 . -12.480 -2.245 -1.758 1.00 93.98 53 A 1 ATOM 443 N N . GLU A 0 54 . -8.960 -4.816 0.081 1.00 94.33 54 A 1 ATOM 444 C CA . GLU A 0 54 . -7.734 -4.261 0.669 1.00 94.33 54 A 1 ATOM 445 C C . GLU A 0 54 . -6.496 -5.088 0.281 1.00 94.33 54 A 1 ATOM 446 C CB . GLU A 0 54 . -7.918 -4.177 2.192 1.00 94.33 54 A 1 ATOM 447 O O . GLU A 0 54 . -5.464 -4.535 -0.103 1.00 94.33 54 A 1 ATOM 448 C CG . GLU A 0 54 . -6.711 -3.545 2.901 1.00 94.33 54 A 1 ATOM 449 C CD . GLU A 0 54 . -6.950 -3.329 4.404 1.00 94.33 54 A 1 ATOM 450 O OE1 . GLU A 0 54 . -6.429 -2.319 4.935 1.00 94.33 54 A 1 ATOM 451 O OE2 . GLU A 0 54 . -7.656 -4.165 5.009 1.00 94.33 54 A 1 ATOM 452 N N . LYS A 0 55 . -6.609 -6.423 0.278 1.00 94.28 55 A 1 ATOM 453 C CA . LYS A 0 55 . -5.536 -7.316 -0.182 1.00 94.28 55 A 1 ATOM 454 C C . LYS A 0 55 . -5.187 -7.104 -1.658 1.00 94.28 55 A 1 ATOM 455 C CB . LYS A 0 55 . -5.945 -8.766 0.103 1.00 94.28 55 A 1 ATOM 456 O O . LYS A 0 55 . -4.008 -6.992 -1.994 1.00 94.28 55 A 1 ATOM 457 C CG . LYS A 0 55 . -4.850 -9.757 -0.313 1.00 94.28 55 A 1 ATOM 458 C CD . LYS A 0 55 . -5.305 -11.186 -0.024 1.00 94.28 55 A 1 ATOM 459 C CE . LYS A 0 55 . -4.247 -12.165 -0.535 1.00 94.28 55 A 1 ATOM 460 N NZ . LYS A 0 55 . -4.676 -13.564 -0.310 1.00 94.28 55 A 1 ATOM 461 N N . GLU A 0 56 . -6.184 -7.050 -2.539 1.00 92.43 56 A 1 ATOM 462 C CA . GLU A 0 56 . -5.961 -6.783 -3.968 1.00 92.43 56 A 1 ATOM 463 C C . GLU A 0 56 . -5.332 -5.404 -4.187 1.00 92.43 56 A 1 ATOM 464 C CB . GLU A 0 56 . -7.280 -6.870 -4.754 1.00 92.43 56 A 1 ATOM 465 O O . GLU A 0 56 . -4.436 -5.248 -5.017 1.00 92.43 56 A 1 ATOM 466 C CG . GLU A 0 56 . -7.873 -8.284 -4.852 1.00 92.43 56 A 1 ATOM 467 C CD . GLU A 0 56 . -6.913 -9.322 -5.443 1.00 92.43 56 A 1 ATOM 468 O OE1 . GLU A 0 56 . -6.996 -10.490 -4.995 1.00 92.43 56 A 1 ATOM 469 O OE2 . GLU A 0 56 . -6.111 -8.964 -6.332 1.00 92.43 56 A 1 ATOM 470 N N . TYR A 0 57 . -5.747 -4.416 -3.397 1.00 92.05 57 A 1 ATOM 471 C CA . TYR A 0 57 . -5.185 -3.075 -3.429 1.00 92.05 57 A 1 ATOM 472 C C . TYR A 0 57 . -3.700 -3.060 -3.031 1.00 92.05 57 A 1 ATOM 473 C CB . TYR A 0 57 . -6.035 -2.182 -2.526 1.00 92.05 57 A 1 ATOM 474 O O . TYR A 0 57 . -2.882 -2.455 -3.725 1.00 92.05 57 A 1 ATOM 475 C CG . TYR A 0 57 . -5.651 -0.733 -2.635 1.00 92.05 57 A 1 ATOM 476 C CD1 . TYR A 0 57 . -4.742 -0.178 -1.717 1.00 92.05 57 A 1 ATOM 477 C CD2 . TYR A 0 57 . -6.182 0.039 -3.683 1.00 92.05 57 A 1 ATOM 478 C CE1 . TYR A 0 57 . -4.374 1.171 -1.836 1.00 92.05 57 A 1 ATOM 479 C CE2 . TYR A 0 57 . -5.804 1.383 -3.816 1.00 92.05 57 A 1 ATOM 480 O OH . TYR A 0 57 . -4.547 3.236 -3.013 1.00 92.05 57 A 1 ATOM 481 C CZ . TYR A 0 57 . -4.912 1.945 -2.884 1.00 92.05 57 A 1 ATOM 482 N N . HIS A 0 58 . -3.318 -3.784 -1.975 1.00 92.17 58 A 1 ATOM 483 C CA . HIS A 0 58 . -1.913 -3.937 -1.586 1.00 92.17 58 A 1 ATOM 484 C C . HIS A 0 58 . -1.077 -4.671 -2.642 1.00 92.17 58 A 1 ATOM 485 C CB . HIS A 0 58 . -1.820 -4.648 -0.231 1.00 92.17 58 A 1 ATOM 486 O O . HIS A 0 58 . 0.051 -4.258 -2.915 1.00 92.17 58 A 1 ATOM 487 C CG . HIS A 0 58 . -2.085 -3.720 0.923 1.00 92.17 58 A 1 ATOM 488 C CD2 . HIS A 0 58 . -3.062 -3.838 1.873 1.00 92.17 58 A 1 ATOM 489 N ND1 . HIS A 0 58 . -1.360 -2.589 1.223 1.00 92.17 58 A 1 ATOM 490 C CE1 . HIS A 0 58 . -1.888 -2.038 2.326 1.00 92.17 58 A 1 ATOM 491 N NE2 . HIS A 0 58 . -2.920 -2.768 2.762 1.00 92.17 58 A 1 ATOM 492 N N . ASN A 0 59 . -1.625 -5.711 -3.277 1.00 92.13 59 A 1 ATOM 493 C CA . ASN A 0 59 . -0.951 -6.411 -4.374 1.00 92.13 59 A 1 ATOM 494 C C . ASN A 0 59 . -0.722 -5.486 -5.577 1.00 92.13 59 A 1 ATOM 495 C CB . ASN A 0 59 . -1.793 -7.622 -4.801 1.00 92.13 59 A 1 ATOM 496 O O . ASN A 0 59 . 0.365 -5.470 -6.155 1.00 92.13 59 A 1 ATOM 497 C CG . ASN A 0 59 . -1.841 -8.735 -3.776 1.00 92.13 59 A 1 ATOM 498 N ND2 . ASN A 0 59 . -2.831 -9.591 -3.872 1.00 92.13 59 A 1 ATOM 499 O OD1 . ASN A 0 59 . -0.987 -8.897 -2.919 1.00 92.13 59 A 1 ATOM 500 N N . LEU A 0 60 . -1.732 -4.689 -5.931 1.00 90.20 60 A 1 ATOM 501 C CA . LEU A 0 60 . -1.647 -3.704 -7.002 1.00 90.20 60 A 1 ATOM 502 C C . LEU A 0 60 . -0.603 -2.623 -6.690 1.00 90.20 60 A 1 ATOM 503 C CB . LEU A 0 60 . -3.052 -3.120 -7.209 1.00 90.20 60 A 1 ATOM 504 O O . LEU A 0 60 . 0.214 -2.303 -7.552 1.00 90.20 60 A 1 ATOM 505 C CG . LEU A 0 60 . -3.123 -2.035 -8.290 1.00 90.20 60 A 1 ATOM 506 C CD1 . LEU A 0 60 . -2.766 -2.569 -9.680 1.00 90.20 60 A 1 ATOM 507 C CD2 . LEU A 0 60 . -4.530 -1.458 -8.325 1.00 90.20 60 A 1 ATOM 508 N N . PHE A 0 61 . -0.589 -2.101 -5.460 1.00 91.02 61 A 1 ATOM 509 C CA . PHE A 0 61 . 0.411 -1.133 -5.006 1.00 91.02 61 A 1 ATOM 510 C C . PHE A 0 61 . 1.834 -1.695 -5.085 1.00 91.02 61 A 1 ATOM 511 C CB . PHE A 0 61 . 0.093 -0.705 -3.567 1.00 91.02 61 A 1 ATOM 512 O O . PHE A 0 61 . 2.728 -1.031 -5.610 1.00 91.02 61 A 1 ATOM 513 C CG . PHE A 0 61 . 1.112 0.255 -2.979 1.00 91.02 61 A 1 ATOM 514 C CD1 . PHE A 0 61 . 1.882 -0.113 -1.859 1.00 91.02 61 A 1 ATOM 515 C CD2 . PHE A 0 61 . 1.320 1.511 -3.576 1.00 91.02 61 A 1 ATOM 516 C CE1 . PHE A 0 61 . 2.833 0.780 -1.332 1.00 91.02 61 A 1 ATOM 517 C CE2 . PHE A 0 61 . 2.249 2.413 -3.036 1.00 91.02 61 A 1 ATOM 518 C CZ . PHE A 0 61 . 3.011 2.047 -1.915 1.00 91.02 61 A 1 ATOM 519 N N . ALA A 0 62 . 2.046 -2.927 -4.613 1.00 91.03 62 A 1 ATOM 520 C CA . ALA A 0 62 . 3.344 -3.594 -4.672 1.00 91.03 62 A 1 ATOM 521 C C . ALA A 0 62 . 3.813 -3.795 -6.120 1.00 91.03 62 A 1 ATOM 522 C CB . ALA A 0 62 . 3.241 -4.929 -3.926 1.00 91.03 62 A 1 ATOM 523 O O . ALA A 0 62 . 4.963 -3.499 -6.444 1.00 91.03 62 A 1 ATOM 524 N N . TYR A 0 63 . 2.910 -4.231 -7.005 1.00 88.40 63 A 1 ATOM 525 C CA . TYR A 0 63 . 3.212 -4.369 -8.425 1.00 88.40 63 A 1 ATOM 526 C C . TYR A 0 63 . 3.589 -3.023 -9.055 1.00 88.40 63 A 1 ATOM 527 C CB . TYR A 0 63 . 2.032 -5.019 -9.155 1.00 88.40 63 A 1 ATOM 528 O O . TYR A 0 63 . 4.658 -2.910 -9.646 1.00 88.40 63 A 1 ATOM 529 C CG . TYR A 0 63 . 2.257 -5.097 -10.651 1.00 88.40 63 A 1 ATOM 530 C CD1 . TYR A 0 63 . 1.729 -4.099 -11.489 1.00 88.40 63 A 1 ATOM 531 C CD2 . TYR A 0 63 . 3.074 -6.109 -11.191 1.00 88.40 63 A 1 ATOM 532 C CE1 . TYR A 0 63 . 2.016 -4.115 -12.865 1.00 88.40 63 A 1 ATOM 533 C CE2 . TYR A 0 63 . 3.342 -6.143 -12.573 1.00 88.40 63 A 1 ATOM 534 O OH . TYR A 0 63 . 3.053 -5.152 -14.747 1.00 88.40 63 A 1 ATOM 535 C CZ . TYR A 0 63 . 2.807 -5.143 -13.412 1.00 88.40 63 A 1 ATOM 536 N N . LEU A 0 64 . 2.767 -1.983 -8.887 1.00 85.81 64 A 1 ATOM 537 C CA . LEU A 0 64 . 3.022 -0.665 -9.478 1.00 85.81 64 A 1 ATOM 538 C C . LEU A 0 64 . 4.306 -0.020 -8.933 1.00 85.81 64 A 1 ATOM 539 C CB . LEU A 0 64 . 1.788 0.230 -9.290 1.00 85.81 64 A 1 ATOM 540 O O . LEU A 0 64 . 5.052 0.599 -9.685 1.00 85.81 64 A 1 ATOM 541 C CG . LEU A 0 64 . 0.600 -0.235 -10.157 1.00 85.81 64 A 1 ATOM 542 C CD1 . LEU A 0 64 . -0.698 0.403 -9.695 1.00 85.81 64 A 1 ATOM 543 C CD2 . LEU A 0 64 . 0.765 0.092 -11.639 1.00 85.81 64 A 1 ATOM 544 N N . THR A 0 65 . 4.617 -0.234 -7.655 1.00 88.47 65 A 1 ATOM 545 C CA . THR A 0 65 . 5.871 0.233 -7.044 1.00 88.47 65 A 1 ATOM 546 C C . THR A 0 65 . 7.085 -0.503 -7.611 1.00 88.47 65 A 1 ATOM 547 C CB . THR A 0 65 . 5.822 0.072 -5.519 1.00 88.47 65 A 1 ATOM 548 O O . THR A 0 65 . 8.136 0.101 -7.775 1.00 88.47 65 A 1 ATOM 549 C CG2 . THR A 0 65 . 7.055 0.634 -4.816 1.00 88.47 65 A 1 ATOM 550 O OG1 . THR A 0 65 . 4.715 0.769 -4.999 1.00 88.47 65 A 1 ATOM 551 N N . SER A 0 66 . 6.955 -1.788 -7.965 1.00 86.60 66 A 1 ATOM 552 C CA . SER A 0 66 . 8.059 -2.563 -8.558 1.00 86.60 66 A 1 ATOM 553 C C . SER A 0 66 . 8.465 -2.098 -9.961 1.00 86.60 66 A 1 ATOM 554 C CB . SER A 0 66 . 7.735 -4.062 -8.554 1.00 86.60 66 A 1 ATOM 555 O O . SER A 0 66 . 9.557 -2.424 -10.421 1.00 86.60 66 A 1 ATOM 556 O OG . SER A 0 66 . 6.783 -4.455 -9.526 1.00 86.60 66 A 1 ATOM 557 N N . ILE A 0 67 . 7.594 -1.341 -10.631 1.00 81.91 67 A 1 ATOM 558 C CA . ILE A 0 67 . 7.774 -0.908 -12.020 1.00 81.91 67 A 1 ATOM 559 C C . ILE A 0 67 . 7.955 0.605 -12.186 1.00 81.91 67 A 1 ATOM 560 C CB . ILE A 0 67 . 6.594 -1.407 -12.860 1.00 81.91 67 A 1 ATOM 561 O O . ILE A 0 67 . 8.259 1.077 -13.279 1.00 81.91 67 A 1 ATOM 562 C CG1 . ILE A 0 67 . 5.251 -0.740 -12.515 1.00 81.91 67 A 1 ATOM 563 C CG2 . ILE A 0 67 . 6.454 -2.941 -12.750 1.00 81.91 67 A 1 ATOM 564 C CD1 . ILE A 0 67 . 4.242 -0.799 -13.659 1.00 81.91 67 A 1 ATOM 565 N N . SER A 0 68 . 7.718 1.362 -11.117 1.00 83.38 68 A 1 ATOM 566 C CA . SER A 0 68 . 7.855 2.814 -11.057 1.00 83.38 68 A 1 ATOM 567 C C . SER A 0 68 . 9.204 3.171 -10.444 1.00 83.38 68 A 1 ATOM 568 C CB . SER A 0 68 . 6.712 3.384 -10.215 1.00 83.38 68 A 1 ATOM 569 O O . SER A 0 68 . 9.640 2.525 -9.492 1.00 83.38 68 A 1 ATOM 570 O OG . SER A 0 68 . 6.817 4.783 -10.067 1.00 83.38 68 A 1 ATOM 571 N N . TYR A 0 69 . 9.852 4.224 -10.939 1.00 83.20 69 A 1 ATOM 572 C CA . TYR A 0 69 . 11.028 4.787 -10.270 1.00 83.20 69 A 1 ATOM 573 C C . TYR A 0 69 . 10.612 5.792 -9.192 1.00 83.20 69 A 1 ATOM 574 C CB . TYR A 0 69 . 11.950 5.426 -11.311 1.00 83.20 69 A 1 ATOM 575 O O . TYR A 0 69 . 11.297 5.953 -8.181 1.00 83.20 69 A 1 ATOM 576 C CG . TYR A 0 69 . 12.553 4.424 -12.274 1.00 83.20 69 A 1 ATOM 577 C CD1 . TYR A 0 69 . 13.685 3.682 -11.885 1.00 83.20 69 A 1 ATOM 578 C CD2 . TYR A 0 69 . 11.974 4.216 -13.541 1.00 83.20 69 A 1 ATOM 579 C CE1 . TYR A 0 69 . 14.254 2.745 -12.768 1.00 83.20 69 A 1 ATOM 580 C CE2 . TYR A 0 69 . 12.539 3.279 -14.427 1.00 83.20 69 A 1 ATOM 581 O OH . TYR A 0 69 . 14.239 1.656 -14.905 1.00 83.20 69 A 1 ATOM 582 C CZ . TYR A 0 69 . 13.683 2.548 -14.044 1.00 83.20 69 A 1 ATOM 583 N N . SER A 0 70 . 9.470 6.447 -9.397 1.00 85.14 70 A 1 ATOM 584 C CA . SER A 0 70 . 8.874 7.394 -8.460 1.00 85.14 70 A 1 ATOM 585 C C . SER A 0 70 . 8.176 6.706 -7.279 1.00 85.14 70 A 1 ATOM 586 C CB . SER A 0 70 . 7.904 8.298 -9.224 1.00 85.14 70 A 1 ATOM 587 O O . SER A 0 70 . 7.544 5.657 -7.432 1.00 85.14 70 A 1 ATOM 588 O OG . SER A 0 70 . 8.640 9.229 -9.991 1.00 85.14 70 A 1 ATOM 589 N N . SER A 0 71 . 8.237 7.337 -6.099 1.00 89.89 71 A 1 ATOM 590 C CA . SER A 0 71 . 7.459 6.932 -4.920 1.00 89.89 71 A 1 ATOM 591 C C . SER A 0 71 . 5.967 7.144 -5.169 1.00 89.89 71 A 1 ATOM 592 C CB . SER A 0 71 . 7.878 7.731 -3.683 1.00 89.89 71 A 1 ATOM 593 O O . SER A 0 71 . 5.543 8.230 -5.564 1.00 89.89 71 A 1 ATOM 594 O OG . SER A 0 71 . 7.108 7.348 -2.556 1.00 89.89 71 A 1 ATOM 595 N N . LEU A 0 72 . 5.167 6.108 -4.915 1.00 90.47 72 A 1 ATOM 596 C CA . LEU A 0 72 . 3.740 6.104 -5.239 1.00 90.47 72 A 1 ATOM 597 C C . LEU A 0 72 . 2.820 6.339 -4.033 1.00 90.47 72 A 1 ATOM 598 C CB . LEU A 0 72 . 3.395 4.803 -5.977 1.00 90.47 72 A 1 ATOM 599 O O . LEU A 0 72 . 1.610 6.455 -4.203 1.00 90.47 72 A 1 ATOM 600 C CG . LEU A 0 72 . 4.176 4.576 -7.283 1.00 90.47 72 A 1 ATOM 601 C CD1 . LEU A 0 72 . 3.654 3.284 -7.909 1.00 90.47 72 A 1 ATOM 602 C CD2 . LEU A 0 72 . 4.049 5.765 -8.239 1.00 90.47 72 A 1 ATOM 603 N N . SER A 0 73 . 3.361 6.410 -2.816 1.00 90.16 73 A 1 ATOM 604 C CA . SER A 0 73 . 2.577 6.395 -1.570 1.00 90.16 73 A 1 ATOM 605 C C . SER A 0 73 . 1.482 7.467 -1.505 1.00 90.16 73 A 1 ATOM 606 C CB . SER A 0 73 . 3.519 6.574 -0.378 1.00 90.16 73 A 1 ATOM 607 O O . SER A 0 73 . 0.367 7.186 -1.061 1.00 90.16 73 A 1 ATOM 608 O OG . SER A 0 73 . 4.499 5.553 -0.389 1.00 90.16 73 A 1 ATOM 609 N N . ASP A 0 74 . 1.763 8.679 -1.987 1.00 89.76 74 A 1 ATOM 610 C CA . ASP A 0 74 . 0.800 9.785 -1.950 1.00 89.76 74 A 1 ATOM 611 C C . ASP A 0 74 . -0.418 9.523 -2.845 1.00 89.76 74 A 1 ATOM 612 C CB . ASP A 0 74 . 1.499 11.097 -2.332 1.00 89.76 74 A 1 ATOM 613 O O . ASP A 0 74 . -1.551 9.747 -2.415 1.00 89.76 74 A 1 ATOM 614 C CG . ASP A 0 74 . 2.454 11.593 -1.242 1.00 89.76 74 A 1 ATOM 615 O OD1 . ASP A 0 74 . 2.158 11.354 -0.048 1.00 89.76 74 A 1 ATOM 616 O OD2 . ASP A 0 74 . 3.464 12.225 -1.609 1.00 89.76 74 A 1 ATOM 617 N N . TYR A 0 75 . -0.209 8.949 -4.035 1.00 89.74 75 A 1 ATOM 618 C CA . TYR A 0 75 . -1.290 8.575 -4.954 1.00 89.74 75 A 1 ATOM 619 C C . TYR A 0 75 . -2.235 7.549 -4.318 1.00 89.74 75 A 1 ATOM 620 C CB . TYR A 0 75 . -0.694 8.017 -6.257 1.00 89.74 75 A 1 ATOM 621 O O . TYR A 0 75 . -3.452 7.639 -4.453 1.00 89.74 75 A 1 ATOM 622 C CG . TYR A 0 75 . 0.180 8.995 -7.015 1.00 89.74 75 A 1 ATOM 623 C CD1 . TYR A 0 75 . -0.414 9.932 -7.877 1.00 89.74 75 A 1 ATOM 624 C CD2 . TYR A 0 75 . 1.576 8.988 -6.848 1.00 89.74 75 A 1 ATOM 625 C CE1 . TYR A 0 75 . 0.386 10.845 -8.589 1.00 89.74 75 A 1 ATOM 626 C CE2 . TYR A 0 75 . 2.386 9.892 -7.562 1.00 89.74 75 A 1 ATOM 627 O OH . TYR A 0 75 . 2.551 11.695 -9.145 1.00 89.74 75 A 1 ATOM 628 C CZ . TYR A 0 75 . 1.787 10.819 -8.443 1.00 89.74 75 A 1 ATOM 629 N N . PHE A 0 76 . -1.679 6.605 -3.554 1.00 91.47 76 A 1 ATOM 630 C CA . PHE A 0 76 . -2.433 5.509 -2.947 1.00 91.47 76 A 1 ATOM 631 C C . PHE A 0 76 . -3.086 5.874 -1.610 1.00 91.47 76 A 1 ATOM 632 C CB . PHE A 0 76 . -1.516 4.284 -2.804 1.00 91.47 76 A 1 ATOM 633 O O . PHE A 0 76 . -3.913 5.108 -1.107 1.00 91.47 76 A 1 ATOM 634 C CG . PHE A 0 76 . -1.331 3.533 -4.107 1.00 91.47 76 A 1 ATOM 635 C CD1 . PHE A 0 76 . -1.936 2.279 -4.309 1.00 91.47 76 A 1 ATOM 636 C CD2 . PHE A 0 76 . -0.558 4.093 -5.136 1.00 91.47 76 A 1 ATOM 637 C CE1 . PHE A 0 76 . -1.839 1.630 -5.548 1.00 91.47 76 A 1 ATOM 638 C CE2 . PHE A 0 76 . -0.415 3.429 -6.360 1.00 91.47 76 A 1 ATOM 639 C CZ . PHE A 0 76 . -1.083 2.218 -6.571 1.00 91.47 76 A 1 ATOM 640 N N . THR A 0 77 . -2.734 7.016 -1.015 1.00 90.95 77 A 1 ATOM 641 C CA . THR A 0 77 . -3.157 7.366 0.348 1.00 90.95 77 A 1 ATOM 642 C C . THR A 0 77 . -4.676 7.468 0.465 1.00 90.95 77 A 1 ATOM 643 C CB . THR A 0 77 . -2.482 8.666 0.806 1.00 90.95 77 A 1 ATOM 644 O O . THR A 0 77 . -5.257 6.878 1.378 1.00 90.95 77 A 1 ATOM 645 C CG2 . THR A 0 77 . -2.982 9.144 2.172 1.00 90.95 77 A 1 ATOM 646 O OG1 . THR A 0 77 . -1.104 8.443 0.975 1.00 90.95 77 A 1 ATOM 647 N N . ARG A 0 78 . -5.335 8.165 -0.471 1.00 91.57 78 A 1 ATOM 648 C CA . ARG A 0 78 . -6.795 8.347 -0.442 1.00 91.57 78 A 1 ATOM 649 C C . ARG A 0 78 . -7.528 7.011 -0.585 1.00 91.57 78 A 1 ATOM 650 C CB . ARG A 0 78 . -7.223 9.368 -1.512 1.00 91.57 78 A 1 ATOM 651 O O . ARG A 0 78 . -8.365 6.680 0.247 1.00 91.57 78 A 1 ATOM 652 C CG . ARG A 0 78 . -8.720 9.692 -1.385 1.00 91.57 78 A 1 ATOM 653 C CD . ARG A 0 78 . -9.229 10.632 -2.488 1.00 91.57 78 A 1 ATOM 654 N NE . ARG A 0 78 . -10.697 10.551 -2.653 1.00 91.57 78 A 1 ATOM 655 N NH1 . ARG A 0 78 . -10.808 8.447 -3.586 1.00 91.57 78 A 1 ATOM 656 N NH2 . ARG A 0 78 . -12.627 9.661 -3.456 1.00 91.57 78 A 1 ATOM 657 C CZ . ARG A 0 78 . -11.364 9.563 -3.222 1.00 91.57 78 A 1 ATOM 658 N N . SER A 0 79 . -7.190 6.208 -1.591 1.00 91.04 79 A 1 ATOM 659 C CA . SER A 0 79 . -7.889 4.938 -1.828 1.00 91.04 79 A 1 ATOM 660 C C . SER A 0 79 . -7.604 3.890 -0.739 1.00 91.04 79 A 1 ATOM 661 C CB . SER A 0 79 . -7.579 4.424 -3.234 1.00 91.04 79 A 1 ATOM 662 O O . SER A 0 79 . -8.476 3.076 -0.435 1.00 91.04 79 A 1 ATOM 663 O OG . SER A 0 79 . -7.930 5.399 -4.194 1.00 91.04 79 A 1 ATOM 664 N N . LEU A 0 80 . -6.450 3.954 -0.059 1.00 91.10 80 A 1 ATOM 665 C CA . LEU A 0 80 . -6.193 3.132 1.130 1.00 91.10 80 A 1 ATOM 666 C C . LEU A 0 80 . -7.073 3.547 2.320 1.00 91.10 80 A 1 ATOM 667 C CB . LEU A 0 80 . -4.699 3.206 1.496 1.00 91.10 80 A 1 ATOM 668 O O . LEU A 0 80 . -7.512 2.690 3.082 1.00 91.10 80 A 1 ATOM 669 C CG . LEU A 0 80 . -4.268 2.191 2.574 1.00 91.10 80 A 1 ATOM 670 C CD1 . LEU A 0 80 . -4.381 0.743 2.094 1.00 91.10 80 A 1 ATOM 671 C CD2 . LEU A 0 80 . -2.810 2.447 2.959 1.00 91.10 80 A 1 ATOM 672 N N . GLN A 0 81 . -7.365 4.840 2.483 1.00 92.26 81 A 1 ATOM 673 C CA . GLN A 0 81 . -8.309 5.304 3.507 1.00 92.26 81 A 1 ATOM 674 C C . GLN A 0 81 . -9.722 4.792 3.241 1.00 92.26 81 A 1 ATOM 675 C CB . GLN A 0 81 . -8.302 6.831 3.610 1.00 92.26 81 A 1 ATOM 676 O O . GLN A 0 81 . -10.358 4.315 4.174 1.00 92.26 81 A 1 ATOM 677 C CG . GLN A 0 81 . -6.997 7.309 4.241 1.00 92.26 81 A 1 ATOM 678 C CD . GLN A 0 81 . -6.765 8.798 4.088 1.00 92.26 81 A 1 ATOM 679 N NE2 . GLN A 0 81 . -5.612 9.235 4.528 1.00 92.26 81 A 1 ATOM 680 O OE1 . GLN A 0 81 . -7.558 9.572 3.579 1.00 92.26 81 A 1 ATOM 681 N N . VAL A 0 82 . -10.169 4.780 1.980 1.00 92.76 82 A 1 ATOM 682 C CA . VAL A 0 82 . -11.453 4.162 1.601 1.00 92.76 82 A 1 ATOM 683 C C . VAL A 0 82 . -11.465 2.674 1.962 1.00 92.76 82 A 1 ATOM 684 C CB . VAL A 0 82 . -11.759 4.358 0.102 1.00 92.76 82 A 1 ATOM 685 O O . VAL A 0 82 . -12.411 2.201 2.585 1.00 92.76 82 A 1 ATOM 686 C CG1 . VAL A 0 82 . -13.086 3.704 -0.295 1.00 92.76 82 A 1 ATOM 687 C CG2 . VAL A 0 82 . -11.844 5.844 -0.264 1.00 92.76 82 A 1 ATOM 688 N N . CYS A 0 83 . -10.393 1.934 1.652 1.00 93.03 83 A 1 ATOM 689 C CA . CYS A 0 83 . -10.289 0.520 2.033 1.00 93.03 83 A 1 ATOM 690 C C . CYS A 0 83 . -10.360 0.322 3.555 1.00 93.03 83 A 1 ATOM 691 C CB . CYS A 0 83 . -8.995 -0.089 1.476 1.00 93.03 83 A 1 ATOM 692 O O . CYS A 0 83 . -11.007 -0.617 4.012 1.00 93.03 83 A 1 ATOM 693 S SG . CYS A 0 83 . -9.034 -0.131 -0.339 1.00 93.03 83 A 1 ATOM 694 N N . ARG A 0 84 . -9.747 1.211 4.346 1.00 91.19 84 A 1 ATOM 695 C CA . ARG A 0 84 . -9.824 1.172 5.816 1.00 91.19 84 A 1 ATOM 696 C C . ARG A 0 84 . -11.228 1.459 6.332 1.00 91.19 84 A 1 ATOM 697 C CB . ARG A 0 84 . -8.830 2.158 6.432 1.00 91.19 84 A 1 ATOM 698 O O . ARG A 0 84 . -11.682 0.740 7.212 1.00 91.19 84 A 1 ATOM 699 C CG . ARG A 0 84 . -7.389 1.667 6.279 1.00 91.19 84 A 1 ATOM 700 C CD . ARG A 0 84 . -6.446 2.789 6.704 1.00 91.19 84 A 1 ATOM 701 N NE . ARG A 0 84 . -5.043 2.373 6.563 1.00 91.19 84 A 1 ATOM 702 N NH1 . ARG A 0 84 . -4.102 4.440 6.872 1.00 91.19 84 A 1 ATOM 703 N NH2 . ARG A 0 84 . -2.793 2.664 6.500 1.00 91.19 84 A 1 ATOM 704 C CZ . ARG A 0 84 . -3.989 3.159 6.643 1.00 91.19 84 A 1 ATOM 705 N N . LEU A 0 85 . -11.925 2.446 5.762 1.00 93.00 85 A 1 ATOM 706 C CA . LEU A 0 85 . -13.321 2.746 6.105 1.00 93.00 85 A 1 ATOM 707 C C . LEU A 0 85 . -14.236 1.543 5.859 1.00 93.00 85 A 1 ATOM 708 C CB . LEU A 0 85 . -13.825 3.951 5.295 1.00 93.00 85 A 1 ATOM 709 O O . LEU A 0 85 . -15.039 1.185 6.715 1.00 93.00 85 A 1 ATOM 710 C CG . LEU A 0 85 . -13.263 5.310 5.730 1.00 93.00 85 A 1 ATOM 711 C CD1 . LEU A 0 85 . -13.847 6.394 4.831 1.00 93.00 85 A 1 ATOM 712 C CD2 . LEU A 0 85 . -13.619 5.632 7.178 1.00 93.00 85 A 1 ATOM 713 N N . LEU A 0 86 . -14.064 0.864 4.723 1.00 93.41 86 A 1 ATOM 714 C CA . LEU A 0 86 . -14.809 -0.359 4.408 1.00 93.41 86 A 1 ATOM 715 C C . LEU A 0 86 . -14.491 -1.523 5.361 1.00 93.41 86 A 1 ATOM 716 C CB . LEU A 0 86 . -14.498 -0.772 2.960 1.00 93.41 86 A 1 ATOM 717 O O . LEU A 0 86 . -15.269 -2.472 5.448 1.00 93.41 86 A 1 ATOM 718 C CG . LEU A 0 86 . -15.021 0.200 1.892 1.00 93.41 86 A 1 ATOM 719 C CD1 . LEU A 0 86 . -14.492 -0.240 0.529 1.00 93.41 86 A 1 ATOM 720 C CD2 . LEU A 0 86 . -16.548 0.228 1.827 1.00 93.41 86 A 1 ATOM 721 N N . ASN A 0 87 . -13.347 -1.466 6.046 1.00 93.97 87 A 1 ATOM 722 C CA . ASN A 0 87 . -12.860 -2.490 6.962 1.00 93.97 87 A 1 ATOM 723 C C . ASN A 0 87 . -13.041 -2.140 8.449 1.00 93.97 87 A 1 ATOM 724 C CB . ASN A 0 87 . -11.403 -2.842 6.596 1.00 93.97 87 A 1 ATOM 725 O O . ASN A 0 87 . -12.520 -2.882 9.287 1.00 93.97 87 A 1 ATOM 726 C CG . ASN A 0 87 . -11.337 -3.831 5.451 1.00 93.97 87 A 1 ATOM 727 N ND2 . ASN A 0 87 . -10.880 -3.417 4.299 1.00 93.97 87 A 1 ATOM 728 O OD1 . ASN A 0 87 . -11.764 -4.971 5.575 1.00 93.97 87 A 1 ATOM 729 N N . LEU A 0 88 . -13.768 -1.071 8.785 1.00 93.25 88 A 1 ATOM 730 C CA . LEU A 0 88 . -14.146 -0.788 10.171 1.00 93.25 88 A 1 ATOM 731 C C . LEU A 0 88 . -15.060 -1.896 10.702 1.00 93.25 88 A 1 ATOM 732 C CB . LEU A 0 88 . -14.831 0.584 10.282 1.00 93.25 88 A 1 ATOM 733 O O . LEU A 0 88 . -15.976 -2.343 10.007 1.00 93.25 88 A 1 ATOM 734 C CG . LEU A 0 88 . -13.958 1.780 9.874 1.00 93.25 88 A 1 ATOM 735 C CD1 . LEU A 0 88 . -14.757 3.078 10.003 1.00 93.25 88 A 1 ATOM 736 C CD2 . LEU A 0 88 . -12.685 1.914 10.705 1.00 93.25 88 A 1 ATOM 737 N N . ASP A 0 89 . -14.828 -2.335 11.939 1.00 91.67 89 A 1 ATOM 738 C CA . ASP A 0 89 . -15.724 -3.292 12.593 1.00 91.67 89 A 1 ATOM 739 C C . ASP A 0 89 . -16.997 -2.589 13.072 1.00 91.67 89 A 1 ATOM 740 C CB . ASP A 0 89 . -15.004 -3.989 13.757 1.00 91.67 89 A 1 ATOM 741 O O . ASP A 0 89 . -18.076 -3.190 13.092 1.00 91.67 89 A 1 ATOM 742 C CG . ASP A 0 89 . -13.981 -5.029 13.287 1.00 91.67 89 A 1 ATOM 743 O OD1 . ASP A 0 89 . -14.298 -5.816 12.356 1.00 91.67 89 A 1 ATOM 744 O OD2 . ASP A 0 89 . -12.879 -5.113 13.868 1.00 91.67 89 A 1 ATOM 745 N N . ARG A 0 90 . -16.878 -1.304 13.434 1.00 92.07 90 A 1 ATOM 746 C CA . ARG A 0 90 . -18.002 -0.447 13.821 1.00 92.07 90 A 1 ATOM 747 C C . ARG A 0 90 . -17.844 0.969 13.287 1.00 92.07 90 A 1 ATOM 748 C CB . ARG A 0 90 . -18.156 -0.401 15.342 1.00 92.07 90 A 1 ATOM 749 O O . ARG A 0 90 . -16.740 1.497 13.212 1.00 92.07 90 A 1 ATOM 750 C CG . ARG A 0 90 . -18.120 -1.762 16.036 1.00 92.07 90 A 1 ATOM 751 C CD . ARG A 0 90 . -18.356 -1.558 17.529 1.00 92.07 90 A 1 ATOM 752 N NE . ARG A 0 90 . -18.458 -2.858 18.212 1.00 92.07 90 A 1 ATOM 753 N NH1 . ARG A 0 90 . -18.483 -2.032 20.342 1.00 92.07 90 A 1 ATOM 754 N NH2 . ARG A 0 90 . -18.616 -4.243 20.004 1.00 92.07 90 A 1 ATOM 755 C CZ . ARG A 0 90 . -18.517 -3.038 19.514 1.00 92.07 90 A 1 ATOM 756 N N . VAL A 0 91 . -18.963 1.616 12.967 1.00 90.12 91 A 1 ATOM 757 C CA . VAL A 0 91 . -18.972 2.963 12.368 1.00 90.12 91 A 1 ATOM 758 C C . VAL A 0 91 . -18.321 4.001 13.290 1.00 90.12 91 A 1 ATOM 759 C CB . VAL A 0 91 . -20.411 3.375 11.997 1.00 90.12 91 A 1 ATOM 760 O O . VAL A 0 91 . -17.673 4.926 12.810 1.00 90.12 91 A 1 ATOM 761 C CG1 . VAL A 0 91 . -20.477 4.765 11.353 1.00 90.12 91 A 1 ATOM 762 C CG2 . VAL A 0 91 . -21.028 2.379 11.000 1.00 90.12 91 A 1 ATOM 763 N N . GLU A 0 92 . -18.412 3.831 14.611 1.00 91.39 92 A 1 ATOM 764 C CA . GLU A 0 92 . -17.840 4.778 15.575 1.00 91.39 92 A 1 ATOM 765 C C . GLU A 0 92 . -16.301 4.800 15.556 1.00 91.39 92 A 1 ATOM 766 C CB . GLU A 0 92 . -18.337 4.476 17.001 1.00 91.39 92 A 1 ATOM 767 O O . GLU A 0 92 . -15.686 5.779 15.984 1.00 91.39 92 A 1 ATOM 768 C CG . GLU A 0 92 . -19.868 4.365 17.158 1.00 91.39 92 A 1 ATOM 769 C CD . GLU A 0 92 . -20.456 3.001 16.754 1.00 91.39 92 A 1 ATOM 770 O OE1 . GLU A 0 92 . -21.694 2.905 16.618 1.00 91.39 92 A 1 ATOM 771 O OE2 . GLU A 0 92 . -19.671 2.043 16.583 1.00 91.39 92 A 1 ATOM 772 N N . GLU A 0 93 . -15.658 3.756 15.021 1.00 89.98 93 A 1 ATOM 773 C CA . GLU A 0 93 . -14.198 3.676 14.904 1.00 89.98 93 A 1 ATOM 774 C C . GLU A 0 93 . -13.631 4.723 13.934 1.00 89.98 93 A 1 ATOM 775 C CB . GLU A 0 93 . -13.779 2.263 14.469 1.00 89.98 93 A 1 ATOM 776 O O . GLU A 0 93 . -12.444 5.051 13.995 1.00 89.98 93 A 1 ATOM 777 C CG . GLU A 0 93 . -14.129 1.201 15.521 1.00 89.98 93 A 1 ATOM 778 C CD . GLU A 0 93 . -13.848 -0.241 15.074 1.00 89.98 93 A 1 ATOM 779 O OE1 . GLU A 0 93 . -13.903 -1.111 15.972 1.00 89.98 93 A 1 ATOM 780 O OE2 . GLU A 0 93 . -13.653 -0.488 13.858 1.00 89.98 93 A 1 ATOM 781 N N . VAL A 0 94 . -14.472 5.321 13.083 1.00 88.59 94 A 1 ATOM 782 C CA . VAL A 0 94 . -14.060 6.371 12.144 1.00 88.59 94 A 1 ATOM 783 C C . VAL A 0 94 . -13.429 7.579 12.848 1.00 88.59 94 A 1 ATOM 784 C CB . VAL A 0 94 . -15.252 6.784 11.264 1.00 88.59 94 A 1 ATOM 785 O O . VAL A 0 94 . -12.494 8.197 12.330 1.00 88.59 94 A 1 ATOM 786 C CG1 . VAL A 0 94 . -16.238 7.749 11.939 1.00 88.59 94 A 1 ATOM 787 C CG2 . VAL A 0 94 . -14.742 7.424 9.978 1.00 88.59 94 A 1 ATOM 788 N N . HIS A 0 95 . -13.869 7.876 14.076 1.00 86.31 95 A 1 ATOM 789 C CA . HIS A 0 95 . -13.358 8.988 14.878 1.00 86.31 95 A 1 ATOM 790 C C . HIS A 0 95 . -11.864 8.855 15.211 1.00 86.31 95 A 1 ATOM 791 C CB . HIS A 0 95 . -14.188 9.102 16.163 1.00 86.31 95 A 1 ATOM 792 O O . HIS A 0 95 . -11.194 9.871 15.403 1.00 86.31 95 A 1 ATOM 793 C CG . HIS A 0 95 . -15.619 9.507 15.918 1.00 86.31 95 A 1 ATOM 794 C CD2 . HIS A 0 95 . -16.743 8.814 16.280 1.00 86.31 95 A 1 ATOM 795 N ND1 . HIS A 0 95 . -16.040 10.662 15.296 1.00 86.31 95 A 1 ATOM 796 C CE1 . HIS A 0 95 . -17.382 10.660 15.279 1.00 86.31 95 A 1 ATOM 797 N NE2 . HIS A 0 95 . -17.856 9.560 15.880 1.00 86.31 95 A 1 ATOM 798 N N . TYR A 0 96 . -11.316 7.634 15.227 1.00 84.11 96 A 1 ATOM 799 C CA . TYR A 0 96 . -9.886 7.409 15.449 1.00 84.11 96 A 1 ATOM 800 C C . TYR A 0 96 . -9.021 7.869 14.268 1.00 84.11 96 A 1 ATOM 801 C CB . TYR A 0 96 . -9.636 5.925 15.756 1.00 84.11 96 A 1 ATOM 802 O O . TYR A 0 96 . -7.847 8.188 14.457 1.00 84.11 96 A 1 ATOM 803 C CG . TYR A 0 96 . -10.341 5.419 17.002 1.00 84.11 96 A 1 ATOM 804 C CD1 . TYR A 0 96 . -10.063 6.004 18.253 1.00 84.11 96 A 1 ATOM 805 C CD2 . TYR A 0 96 . -11.265 4.361 16.917 1.00 84.11 96 A 1 ATOM 806 C CE1 . TYR A 0 96 . -10.725 5.551 19.411 1.00 84.11 96 A 1 ATOM 807 C CE2 . TYR A 0 96 . -11.937 3.910 18.068 1.00 84.11 96 A 1 ATOM 808 O OH . TYR A 0 96 . -12.311 4.068 20.432 1.00 84.11 96 A 1 ATOM 809 C CZ . TYR A 0 96 . -11.671 4.506 19.316 1.00 84.11 96 A 1 ATOM 810 N N . TYR A 0 97 . -9.588 7.943 13.061 1.00 83.98 97 A 1 ATOM 811 C CA . TYR A 0 97 . -8.854 8.291 11.843 1.00 83.98 97 A 1 ATOM 812 C C . TYR A 0 97 . -9.005 9.756 11.439 1.00 83.98 97 A 1 ATOM 813 C CB . TYR A 0 97 . -9.310 7.385 10.702 1.00 83.98 97 A 1 ATOM 814 O O . TYR A 0 97 . -8.063 10.330 10.883 1.00 83.98 97 A 1 ATOM 815 C CG . TYR A 0 97 . -9.099 5.912 10.966 1.00 83.98 97 A 1 ATOM 816 C CD1 . TYR A 0 97 . -7.838 5.331 10.728 1.00 83.98 97 A 1 ATOM 817 C CD2 . TYR A 0 97 . -10.148 5.134 11.484 1.00 83.98 97 A 1 ATOM 818 C CE1 . TYR A 0 97 . -7.634 3.961 10.984 1.00 83.98 97 A 1 ATOM 819 C CE2 . TYR A 0 97 . -9.942 3.773 11.760 1.00 83.98 97 A 1 ATOM 820 O OH . TYR A 0 97 . -8.515 1.858 11.748 1.00 83.98 97 A 1 ATOM 821 C CZ . TYR A 0 97 . -8.694 3.179 11.494 1.00 83.98 97 A 1 ATOM 822 N N . TRP A 0 98 . -10.153 10.367 11.749 1.00 76.97 98 A 1 ATOM 823 C CA . TRP A 0 98 . -10.492 11.739 11.354 1.00 76.97 98 A 1 ATOM 824 C C . TRP A 0 98 . -9.444 12.779 11.783 1.00 76.97 98 A 1 ATOM 825 C CB . TRP A 0 98 . -11.858 12.087 11.957 1.00 76.97 98 A 1 ATOM 826 O O . TRP A 0 98 . -9.164 13.729 11.060 1.00 76.97 98 A 1 ATOM 827 C CG . TRP A 0 98 . -12.398 13.398 11.486 1.00 76.97 98 A 1 ATOM 828 C CD1 . TRP A 0 98 . -12.231 14.594 12.095 1.00 76.97 98 A 1 ATOM 829 C CD2 . TRP A 0 98 . -13.101 13.675 10.239 1.00 76.97 98 A 1 ATOM 830 C CE2 . TRP A 0 98 . -13.321 15.082 10.152 1.00 76.97 98 A 1 ATOM 831 C CE3 . TRP A 0 98 . -13.538 12.880 9.157 1.00 76.97 98 A 1 ATOM 832 N NE1 . TRP A 0 98 . -12.792 15.589 11.320 1.00 76.97 98 A 1 ATOM 833 C CH2 . TRP A 0 98 . -14.316 14.859 7.966 1.00 76.97 98 A 1 ATOM 834 C CZ2 . TRP A 0 98 . -13.924 15.678 9.037 1.00 76.97 98 A 1 ATOM 835 C CZ3 . TRP A 0 98 . -14.142 13.466 8.031 1.00 76.97 98 A 1 ATOM 836 N N . ASN A 0 99 . -8.807 12.570 12.937 1.00 76.16 99 A 1 ATOM 837 C CA . ASN A 0 99 . -7.799 13.486 13.480 1.00 76.16 99 A 1 ATOM 838 C C . ASN A 0 99 . -6.371 13.218 12.970 1.00 76.16 99 A 1 ATOM 839 C CB . ASN A 0 99 . -7.893 13.457 15.013 1.00 76.16 99 A 1 ATOM 840 O O . ASN A 0 99 . -5.419 13.833 13.450 1.00 76.16 99 A 1 ATOM 841 C CG . ASN A 0 99 . -9.192 14.043 15.535 1.00 76.16 99 A 1 ATOM 842 N ND2 . ASN A 0 99 . -9.588 13.678 16.730 1.00 76.16 99 A 1 ATOM 843 O OD1 . ASN A 0 99 . -9.866 14.838 14.902 1.00 76.16 99 A 1 ATOM 844 N N . SER A 0 100 . -6.186 12.288 12.030 1.00 81.56 100 A 1 ATOM 845 C CA . SER A 0 100 . -4.862 11.995 11.483 1.00 81.56 100 A 1 ATOM 846 C C . SER A 0 100 . -4.432 13.061 10.470 1.00 81.56 100 A 1 ATOM 847 C CB . SER A 0 100 . -4.786 10.570 10.920 1.00 81.56 100 A 1 ATOM 848 O O . SER A 0 100 . -5.181 13.424 9.567 1.00 81.56 100 A 1 ATOM 849 O OG . SER A 0 100 . -5.556 10.393 9.749 1.00 81.56 100 A 1 ATOM 850 N N . SER A 0 101 . -3.182 13.527 10.563 1.00 78.93 101 A 1 ATOM 851 C CA . SER A 0 101 . -2.610 14.545 9.658 1.00 78.93 101 A 1 ATOM 852 C C . SER A 0 101 . -2.608 14.140 8.182 1.00 78.93 101 A 1 ATOM 853 C CB . SER A 0 101 . -1.163 14.830 10.073 1.00 78.93 101 A 1 ATOM 854 O O . SER A 0 101 . -2.437 14.974 7.299 1.00 78.93 101 A 1 ATOM 855 O OG . SER A 0 101 . -0.381 13.647 9.996 1.00 78.93 101 A 1 ATOM 856 N N . ASN A 0 102 . -2.763 12.845 7.920 1.00 83.01 102 A 1 ATOM 857 C CA . ASN A 0 102 . -2.684 12.269 6.590 1.00 83.01 102 A 1 ATOM 858 C C . ASN A 0 102 . -4.069 11.994 5.996 1.00 83.01 102 A 1 ATOM 859 C CB . ASN A 0 102 . -1.781 11.025 6.659 1.00 83.01 102 A 1 ATOM 860 O O . ASN A 0 102 . -4.124 11.472 4.886 1.00 83.01 102 A 1 ATOM 861 C CG . ASN A 0 102 . -0.368 11.352 7.123 1.00 83.01 102 A 1 ATOM 862 N ND2 . ASN A 0 102 . 0.340 10.395 7.672 1.00 83.01 102 A 1 ATOM 863 O OD1 . ASN A 0 102 . 0.122 12.465 7.033 1.00 83.01 102 A 1 ATOM 864 N N . TRP A 0 103 . -5.168 12.308 6.697 1.00 85.38 103 A 1 ATOM 865 C CA . TRP A 0 103 . -6.529 12.113 6.194 1.00 85.38 103 A 1 ATOM 866 C C . TRP A 0 103 . -6.775 12.961 4.939 1.00 85.38 103 A 1 ATOM 867 C CB . TRP A 0 103 . -7.560 12.402 7.288 1.00 85.38 103 A 1 ATOM 868 O O . TRP A 0 103 . -6.529 14.166 4.929 1.00 85.38 103 A 1 ATOM 869 C CG . TRP A 0 103 . -8.916 11.845 6.985 1.00 85.38 103 A 1 ATOM 870 C CD1 . TRP A 0 103 . -9.986 12.547 6.551 1.00 85.38 103 A 1 ATOM 871 C CD2 . TRP A 0 103 . -9.359 10.456 7.057 1.00 85.38 103 A 1 ATOM 872 C CE2 . TRP A 0 103 . -10.729 10.396 6.665 1.00 85.38 103 A 1 ATOM 873 C CE3 . TRP A 0 103 . -8.729 9.239 7.401 1.00 85.38 103 A 1 ATOM 874 N NE1 . TRP A 0 103 . -11.060 11.699 6.377 1.00 85.38 103 A 1 ATOM 875 C CH2 . TRP A 0 103 . -10.784 8.000 6.953 1.00 85.38 103 A 1 ATOM 876 C CZ2 . TRP A 0 103 . -11.445 9.194 6.621 1.00 85.38 103 A 1 ATOM 877 C CZ3 . TRP A 0 103 . -9.433 8.021 7.333 1.00 85.38 103 A 1 ATOM 878 N N . ARG A 0 104 . -7.203 12.319 3.849 1.00 86.98 104 A 1 ATOM 879 C CA . ARG A 0 104 . -7.414 12.943 2.531 1.00 86.98 104 A 1 ATOM 880 C C . ARG A 0 104 . -8.878 12.941 2.096 1.00 86.98 104 A 1 ATOM 881 C CB . ARG A 0 104 . -6.553 12.249 1.457 1.00 86.98 104 A 1 ATOM 882 O O . ARG A 0 104 . -9.193 13.629 1.132 1.00 86.98 104 A 1 ATOM 883 C CG . ARG A 0 104 . -5.034 12.289 1.675 1.00 86.98 104 A 1 ATOM 884 C CD . ARG A 0 104 . -4.478 13.709 1.839 1.00 86.98 104 A 1 ATOM 885 N NE . ARG A 0 104 . -3.001 13.707 1.852 1.00 86.98 104 A 1 ATOM 886 N NH1 . ARG A 0 104 . -2.694 15.969 1.623 1.00 86.98 104 A 1 ATOM 887 N NH2 . ARG A 0 104 . -0.916 14.619 1.711 1.00 86.98 104 A 1 ATOM 888 C CZ . ARG A 0 104 . -2.212 14.762 1.731 1.00 86.98 104 A 1 ATOM 889 N N . LEU A 0 105 . -9.741 12.176 2.763 1.00 86.62 105 A 1 ATOM 890 C CA . LEU A 0 105 . -11.166 12.102 2.443 1.00 86.62 105 A 1 ATOM 891 C C . LEU A 0 105 . -11.928 13.279 3.058 1.00 86.62 105 A 1 ATOM 892 C CB . LEU A 0 105 . -11.745 10.748 2.896 1.00 86.62 105 A 1 ATOM 893 O O . LEU A 0 105 . -11.666 13.704 4.183 1.00 86.62 105 A 1 ATOM 894 C CG . LEU A 0 105 . -11.109 9.519 2.225 1.00 86.62 105 A 1 ATOM 895 C CD1 . LEU A 0 105 . -11.638 8.240 2.867 1.00 86.62 105 A 1 ATOM 896 C CD2 . LEU A 0 105 . -11.428 9.454 0.732 1.00 86.62 105 A 1 ATOM 897 N N . THR A 0 106 . -12.891 13.806 2.315 1.00 86.44 106 A 1 ATOM 898 C CA . THR A 0 106 . -13.831 14.822 2.790 1.00 86.44 106 A 1 ATOM 899 C C . THR A 0 106 . -14.900 14.210 3.699 1.00 86.44 106 A 1 ATOM 900 C CB . THR A 0 106 . -14.495 15.558 1.618 1.00 86.44 106 A 1 ATOM 901 O O . THR A 0 106 . -15.126 13.000 3.699 1.00 86.44 106 A 1 ATOM 902 C CG2 . THR A 0 106 . -13.500 16.242 0.682 1.00 86.44 106 A 1 ATOM 903 O OG1 . THR A 0 106 . -15.265 14.670 0.854 1.00 86.44 106 A 1 ATOM 904 N N . ALA A 0 107 . -15.620 15.060 4.441 1.00 84.53 107 A 1 ATOM 905 C CA . ALA A 0 107 . -16.735 14.634 5.295 1.00 84.53 107 A 1 ATOM 906 C C . ALA A 0 107 . -17.880 13.958 4.524 1.00 84.53 107 A 1 ATOM 907 C CB . ALA A 0 107 . -17.289 15.866 6.028 1.00 84.53 107 A 1 ATOM 908 O O . ALA A 0 107 . -18.663 13.236 5.118 1.00 84.53 107 A 1 ATOM 909 N N . HIS A 0 108 . -18.012 14.233 3.223 1.00 86.09 108 A 1 ATOM 910 C CA . HIS A 0 108 . -19.038 13.619 2.381 1.00 86.09 108 A 1 ATOM 911 C C . HIS A 0 108 . -18.615 12.245 1.843 1.00 86.09 108 A 1 ATOM 912 C CB . HIS A 0 108 . -19.356 14.585 1.233 1.00 86.09 108 A 1 ATOM 913 O O . HIS A 0 108 . -19.466 11.417 1.540 1.00 86.09 108 A 1 ATOM 914 C CG . HIS A 0 108 . -20.483 14.105 0.355 1.00 86.09 108 A 1 ATOM 915 C CD2 . HIS A 0 108 . -20.426 13.846 -0.988 1.00 86.09 108 A 1 ATOM 916 N ND1 . HIS A 0 108 . -21.750 13.776 0.778 1.00 86.09 108 A 1 ATOM 917 C CE1 . HIS A 0 108 . -22.439 13.337 -0.286 1.00 86.09 108 A 1 ATOM 918 N NE2 . HIS A 0 108 . -21.684 13.386 -1.393 1.00 86.09 108 A 1 ATOM 919 N N . GLU A 0 109 . -17.306 12.018 1.701 1.00 84.01 109 A 1 ATOM 920 C CA . GLU A 0 109 . -16.741 10.737 1.262 1.00 84.01 109 A 1 ATOM 921 C C . GLU A 0 109 . -16.598 9.723 2.406 1.00 84.01 109 A 1 ATOM 922 C CB . GLU A 0 109 . -15.351 10.986 0.655 1.00 84.01 109 A 1 ATOM 923 O O . GLU A 0 109 . -16.409 8.539 2.133 1.00 84.01 109 A 1 ATOM 924 C CG . GLU A 0 109 . -15.376 11.729 -0.689 1.00 84.01 109 A 1 ATOM 925 C CD . GLU A 0 109 . -13.970 12.204 -1.075 1.00 84.01 109 A 1 ATOM 926 O OE1 . GLU A 0 109 . -13.480 11.864 -2.176 1.00 84.01 109 A 1 ATOM 927 O OE2 . GLU A 0 109 . -13.364 12.934 -0.259 1.00 84.01 109 A 1 ATOM 928 N N . THR A 0 110 . -16.630 10.198 3.655 1.00 81.08 110 A 1 ATOM 929 C CA . THR A 0 110 . -16.521 9.390 4.879 1.00 81.08 110 A 1 ATOM 930 C C . THR A 0 110 . -17.902 8.970 5.359 1.00 81.08 110 A 1 ATOM 931 C CB . THR A 0 110 . -15.809 10.165 5.990 1.00 81.08 110 A 1 ATOM 932 O O . THR A 0 110 . -18.061 7.775 5.687 1.00 81.08 110 A 1 ATOM 933 C CG2 . THR A 0 110 . -15.494 9.282 7.191 1.00 81.08 110 A 1 ATOM 934 O OG1 . THR A 0 110 . -14.590 10.692 5.505 1.00 81.08 110 A 1 ATOM 935 O OXT . THR A 0 110 . -18.755 9.879 5.429 1.00 81.08 110 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 86.67 # loop_ _atom_type.symbol C N O S #