data_1ACF_A # _pdbx_database_status.entry_id 1ACF_A _pdbx_database_status.status_code . _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.recvd_initial_deposition_date ? _pdbx_database_status.status_code_nmr_data ? _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.methods_development_category ? # _entity_poly.entity_id 1 _entity_poly.type "polypeptide(L)" _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;SWQTYVDTNLVGTGAVTQAAILGLDGNTWATSAGFAVTPAQGTTLAGAFNNADAIRAGGFDLAGVHYVTLRADDRSIYGK KGSSGVITVKTSKAILVGVYNEKIQPGTAANVVEKLADYLIGQGF ; _entity_poly.pdbx_seq_one_letter_code_can ;SWQTYVDTNLVGTGAVTQAAILGLDGNTWATSAGFAVTPAQGTTLAGAFNNADAIRAGGFDLAGVHYVTLRADDRSIYGK KGSSGVITVKTSKAILVGVYNEKIQPGTAANVVEKLADYLIGQGF ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER n 1 2 TRP n 1 3 GLN n 1 4 THR n 1 5 TYR n 1 6 VAL n 1 7 ASP n 1 8 THR n 1 9 ASN n 1 10 LEU n 1 11 VAL n 1 12 GLY n 1 13 THR n 1 14 GLY n 1 15 ALA n 1 16 VAL n 1 17 THR n 1 18 GLN n 1 19 ALA n 1 20 ALA n 1 21 ILE n 1 22 LEU n 1 23 GLY n 1 24 LEU n 1 25 ASP n 1 26 GLY n 1 27 ASN n 1 28 THR n 1 29 TRP n 1 30 ALA n 1 31 THR n 1 32 SER n 1 33 ALA n 1 34 GLY n 1 35 PHE n 1 36 ALA n 1 37 VAL n 1 38 THR n 1 39 PRO n 1 40 ALA n 1 41 GLN n 1 42 GLY n 1 43 THR n 1 44 THR n 1 45 LEU n 1 46 ALA n 1 47 GLY n 1 48 ALA n 1 49 PHE n 1 50 ASN n 1 51 ASN n 1 52 ALA n 1 53 ASP n 1 54 ALA n 1 55 ILE n 1 56 ARG n 1 57 ALA n 1 58 GLY n 1 59 GLY n 1 60 PHE n 1 61 ASP n 1 62 LEU n 1 63 ALA n 1 64 GLY n 1 65 VAL n 1 66 HIS n 1 67 TYR n 1 68 VAL n 1 69 THR n 1 70 LEU n 1 71 ARG n 1 72 ALA n 1 73 ASP n 1 74 ASP n 1 75 ARG n 1 76 SER n 1 77 ILE n 1 78 TYR n 1 79 GLY n 1 80 LYS n 1 81 LYS n 1 82 GLY n 1 83 SER n 1 84 SER n 1 85 GLY n 1 86 VAL n 1 87 ILE n 1 88 THR n 1 89 VAL n 1 90 LYS n 1 91 THR n 1 92 SER n 1 93 LYS n 1 94 ALA n 1 95 ILE n 1 96 LEU n 1 97 VAL n 1 98 GLY n 1 99 VAL n 1 100 TYR n 1 101 ASN n 1 102 GLU n 1 103 LYS n 1 104 ILE n 1 105 GLN n 1 106 PRO n 1 107 GLY n 1 108 THR n 1 109 ALA n 1 110 ALA n 1 111 ASN n 1 112 VAL n 1 113 VAL n 1 114 GLU n 1 115 LYS n 1 116 LEU n 1 117 ALA n 1 118 ASP n 1 119 TYR n 1 120 LEU n 1 121 ILE n 1 122 GLY n 1 123 GLN n 1 124 GLY n 1 125 PHE n # _entity.id 1 _entity.type polymer _entity.src_method man _entity.pdbx_description ? _entity.formula_weight 12849.333 _entity.pdbx_number_of_molecules 1 _entity.pdbx_ec ? _entity.pdbx_mutation ? _entity.pdbx_fragment ? _entity.details ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 SER 1 1 1 SER SER A . n A 1 2 TRP 2 2 2 TRP TRP A . n A 1 3 GLN 3 3 3 GLN GLN A . n A 1 4 THR 4 4 4 THR THR A . n A 1 5 TYR 5 5 5 TYR TYR A . n A 1 6 VAL 6 6 6 VAL VAL A . n A 1 7 ASP 7 7 7 ASP ASP A . n A 1 8 THR 8 8 8 THR THR A . n A 1 9 ASN 9 9 9 ASN ASN A . n A 1 10 LEU 10 10 10 LEU LEU A . n A 1 11 VAL 11 11 11 VAL VAL A . n A 1 12 GLY 12 12 12 GLY GLY A . n A 1 13 THR 13 13 13 THR THR A . n A 1 14 GLY 14 14 14 GLY GLY A . n A 1 15 ALA 15 15 15 ALA ALA A . n A 1 16 VAL 16 16 16 VAL VAL A . n A 1 17 THR 17 17 17 THR THR A . n A 1 18 GLN 18 18 18 GLN GLN A . n A 1 19 ALA 19 19 19 ALA ALA A . n A 1 20 ALA 20 20 20 ALA ALA A . n A 1 21 ILE 21 21 21 ILE ILE A . n A 1 22 LEU 22 22 22 LEU LEU A . n A 1 23 GLY 23 23 23 GLY GLY A . n A 1 24 LEU 24 24 24 LEU LEU A . n A 1 25 ASP 25 25 25 ASP ASP A . n A 1 26 GLY 26 26 26 GLY GLY A . n A 1 27 ASN 27 27 27 ASN ASN A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 TRP 29 29 29 TRP TRP A . n A 1 30 ALA 30 30 30 ALA ALA A . n A 1 31 THR 31 31 31 THR THR A . n A 1 32 SER 32 32 32 SER SER A . n A 1 33 ALA 33 33 33 ALA ALA A . n A 1 34 GLY 34 34 34 GLY GLY A . n A 1 35 PHE 35 35 35 PHE PHE A . n A 1 36 ALA 36 36 36 ALA ALA A . n A 1 37 VAL 37 37 37 VAL VAL A . n A 1 38 THR 38 38 38 THR THR A . n A 1 39 PRO 39 39 39 PRO PRO A . n A 1 40 ALA 40 40 40 ALA ALA A . n A 1 41 GLN 41 41 41 GLN GLN A . n A 1 42 GLY 42 42 42 GLY GLY A . n A 1 43 THR 43 43 43 THR THR A . n A 1 44 THR 44 44 44 THR THR A . n A 1 45 LEU 45 45 45 LEU LEU A . n A 1 46 ALA 46 46 46 ALA ALA A . n A 1 47 GLY 47 47 47 GLY GLY A . n A 1 48 ALA 48 48 48 ALA ALA A . n A 1 49 PHE 49 49 49 PHE PHE A . n A 1 50 ASN 50 50 50 ASN ASN A . n A 1 51 ASN 51 51 51 ASN ASN A . n A 1 52 ALA 52 52 52 ALA ALA A . n A 1 53 ASP 53 53 53 ASP ASP A . n A 1 54 ALA 54 54 54 ALA ALA A . n A 1 55 ILE 55 55 55 ILE ILE A . n A 1 56 ARG 56 56 56 ARG ARG A . n A 1 57 ALA 57 57 57 ALA ALA A . n A 1 58 GLY 58 58 58 GLY GLY A . n A 1 59 GLY 59 59 59 GLY GLY A . n A 1 60 PHE 60 60 60 PHE PHE A . n A 1 61 ASP 61 61 61 ASP ASP A . n A 1 62 LEU 62 62 62 LEU LEU A . n A 1 63 ALA 63 63 63 ALA ALA A . n A 1 64 GLY 64 64 64 GLY GLY A . n A 1 65 VAL 65 65 65 VAL VAL A . n A 1 66 HIS 66 66 66 HIS HIS A . n A 1 67 TYR 67 67 67 TYR TYR A . n A 1 68 VAL 68 68 68 VAL VAL A . n A 1 69 THR 69 69 69 THR THR A . n A 1 70 LEU 70 70 70 LEU LEU A . n A 1 71 ARG 71 71 71 ARG ARG A . n A 1 72 ALA 72 72 72 ALA ALA A . n A 1 73 ASP 73 73 73 ASP ASP A . n A 1 74 ASP 74 74 74 ASP ASP A . n A 1 75 ARG 75 75 75 ARG ARG A . n A 1 76 SER 76 76 76 SER SER A . n A 1 77 ILE 77 77 77 ILE ILE A . n A 1 78 TYR 78 78 78 TYR TYR A . n A 1 79 GLY 79 79 79 GLY GLY A . n A 1 80 LYS 80 80 80 LYS LYS A . n A 1 81 LYS 81 81 81 LYS LYS A . n A 1 82 GLY 82 82 82 GLY GLY A . n A 1 83 SER 83 83 83 SER SER A . n A 1 84 SER 84 84 84 SER SER A . n A 1 85 GLY 85 85 85 GLY GLY A . n A 1 86 VAL 86 86 86 VAL VAL A . n A 1 87 ILE 87 87 87 ILE ILE A . n A 1 88 THR 88 88 88 THR THR A . n A 1 89 VAL 89 89 89 VAL VAL A . n A 1 90 LYS 90 90 90 LYS LYS A . n A 1 91 THR 91 91 91 THR THR A . n A 1 92 SER 92 92 92 SER SER A . n A 1 93 LYS 93 93 93 LYS LYS A . n A 1 94 ALA 94 94 94 ALA ALA A . n A 1 95 ILE 95 95 95 ILE ILE A . n A 1 96 LEU 96 96 96 LEU LEU A . n A 1 97 VAL 97 97 97 VAL VAL A . n A 1 98 GLY 98 98 98 GLY GLY A . n A 1 99 VAL 99 99 99 VAL VAL A . n A 1 100 TYR 100 100 100 TYR TYR A . n A 1 101 ASN 101 101 101 ASN ASN A . n A 1 102 GLU 102 102 102 GLU GLU A . n A 1 103 LYS 103 103 103 LYS LYS A . n A 1 104 ILE 104 104 104 ILE ILE A . n A 1 105 GLN 105 105 105 GLN GLN A . n A 1 106 PRO 106 106 106 PRO PRO A . n A 1 107 GLY 107 107 107 GLY GLY A . n A 1 108 THR 108 108 108 THR THR A . n A 1 109 ALA 109 109 109 ALA ALA A . n A 1 110 ALA 110 110 110 ALA ALA A . n A 1 111 ASN 111 111 111 ASN ASN A . n A 1 112 VAL 112 112 112 VAL VAL A . n A 1 113 VAL 113 113 113 VAL VAL A . n A 1 114 GLU 114 114 114 GLU GLU A . n A 1 115 LYS 115 115 115 LYS LYS A . n A 1 116 LEU 116 116 116 LEU LEU A . n A 1 117 ALA 117 117 117 ALA ALA A . n A 1 118 ASP 118 118 118 ASP ASP A . n A 1 119 TYR 119 119 119 TYR TYR A . n A 1 120 LEU 120 120 120 LEU LEU A . n A 1 121 ILE 121 121 121 ILE ILE A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 GLN 123 123 123 GLN GLN A . n A 1 124 GLY 124 124 124 GLY GLY A . n A 1 125 PHE 125 125 125 PHE PHE A . n # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093 ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209 ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118 ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103 GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144 GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129 GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067 HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162 ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173 LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173 LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195 PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189 PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130 SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093 THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119 TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225 TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189 VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146 # _struct_asym.id A _struct_asym.pdbx_blank_PDB_chainid_flag N _struct_asym.pdbx_modified N _struct_asym.entity_id 1 _struct_asym.details ? # _atom_sites.entry_id 1ACF_A _atom_sites.fract_transf_matrix[1][1] 1.000000 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 1.000000 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 1.000000 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A ASP 7 ? ? CG A ASP 7 ? ? OD1 A ASP 7 ? ? 126.87 118.30 8.57 0.90 N 2 1 O A LEU 45 ? ? C A LEU 45 ? ? N A ALA 46 ? ? 133.12 122.70 10.42 1.60 Y 3 1 CB A ASP 53 ? ? CG A ASP 53 ? ? OD2 A ASP 53 ? ? 112.67 118.30 -5.63 0.90 N 4 1 NE A ARG 56 ? ? CZ A ARG 56 ? ? NH1 A ARG 56 ? ? 124.95 120.30 4.65 0.50 N 5 1 NE A ARG 71 ? ? CZ A ARG 71 ? ? NH1 A ARG 71 ? ? 123.84 120.30 3.54 0.50 N 6 1 N A ALA 72 ? ? CA A ALA 72 ? ? CB A ALA 72 ? ? 118.95 110.10 8.85 1.40 N 7 1 CD A ARG 75 ? ? NE A ARG 75 ? ? CZ A ARG 75 ? ? 142.07 123.60 18.47 1.40 N 8 1 NE A ARG 75 ? ? CZ A ARG 75 ? ? NH1 A ARG 75 ? ? 124.59 120.30 4.29 0.50 N 9 1 CB A TYR 78 ? ? CG A TYR 78 ? ? CD2 A TYR 78 ? ? 116.94 121.00 -4.06 0.60 N 10 1 CB A TYR 78 ? ? CG A TYR 78 ? ? CD1 A TYR 78 ? ? 124.98 121.00 3.98 0.60 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 LEU A 10 ? ? -110.22 -71.18 2 1 ALA A 54 ? ? -41.51 -74.48 3 1 ALA A 63 ? ? 38.76 61.52 # _pdbx_validate_planes.id 1 _pdbx_validate_planes.PDB_model_num 1 _pdbx_validate_planes.auth_comp_id ARG _pdbx_validate_planes.auth_asym_id A _pdbx_validate_planes.auth_seq_id 56 _pdbx_validate_planes.PDB_ins_code ? _pdbx_validate_planes.label_alt_id ? _pdbx_validate_planes.rmsd 0.126 _pdbx_validate_planes.type "SIDE CHAIN" # loop_ _atom_type.symbol C N O # _entry.id 1ACF_A # 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.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . SER A 1 1 ? -2.912 29.430 9.467 1.00 15.64 ? 1 SER A N 1 ATOM 2 C CA . SER A 1 1 ? -3.193 28.497 8.357 1.00 15.11 ? 1 SER A CA 1 ATOM 3 C C . SER A 1 1 ? -2.214 27.348 8.470 1.00 9.74 ? 1 SER A C 1 ATOM 4 O O . SER A 1 1 ? -1.064 27.627 8.766 1.00 9.49 ? 1 SER A O 1 ATOM 5 C CB . SER A 1 1 ? -3.023 29.237 7.023 1.00 23.19 ? 1 SER A CB 1 ATOM 6 O OG . SER A 1 1 ? -3.171 28.557 5.772 1.00 21.94 ? 1 SER A OG 1 ATOM 7 N N . TRP A 1 2 ? -2.664 26.150 8.214 1.00 8.39 ? 2 TRP A N 1 ATOM 8 C CA . TRP A 1 2 ? -1.757 24.982 8.201 1.00 8.83 ? 2 TRP A CA 1 ATOM 9 C C . TRP A 1 2 ? -0.760 25.125 7.004 1.00 5.97 ? 2 TRP A C 1 ATOM 10 O O . TRP A 1 2 ? 0.409 24.913 7.194 1.00 2.00 ? 2 TRP A O 1 ATOM 11 C CB . TRP A 1 2 ? -2.489 23.648 8.301 1.00 7.72 ? 2 TRP A CB 1 ATOM 12 C CG . TRP A 1 2 ? -3.489 23.622 9.424 1.00 12.29 ? 2 TRP A CG 1 ATOM 13 C CD1 . TRP A 1 2 ? -4.851 23.616 9.390 1.00 10.32 ? 2 TRP A CD1 1 ATOM 14 C CD2 . TRP A 1 2 ? -3.150 23.629 10.833 1.00 13.89 ? 2 TRP A CD2 1 ATOM 15 N NE1 . TRP A 1 2 ? -5.382 23.607 10.634 1.00 9.78 ? 2 TRP A NE1 1 ATOM 16 C CE2 . TRP A 1 2 ? -4.374 23.616 11.544 1.00 12.32 ? 2 TRP A CE2 1 ATOM 17 C CE3 . TRP A 1 2 ? -1.935 23.635 11.526 1.00 13.16 ? 2 TRP A CE3 1 ATOM 18 C CZ2 . TRP A 1 2 ? -4.403 23.642 12.938 1.00 9.82 ? 2 TRP A CZ2 1 ATOM 19 C CZ3 . TRP A 1 2 ? -1.994 23.667 12.913 1.00 11.23 ? 2 TRP A CZ3 1 ATOM 20 C CH2 . TRP A 1 2 ? -3.204 23.664 13.587 1.00 8.14 ? 2 TRP A CH2 1 ATOM 21 N N . GLN A 1 3 ? -1.236 25.520 5.831 1.00 8.76 ? 3 GLN A N 1 ATOM 22 C CA . GLN A 1 3 ? -0.455 25.713 4.593 1.00 5.28 ? 3 GLN A CA 1 ATOM 23 C C . GLN A 1 3 ? 0.673 26.709 4.834 1.00 8.47 ? 3 GLN A C 1 ATOM 24 O O . GLN A 1 3 ? 1.876 26.441 4.515 1.00 11.27 ? 3 GLN A O 1 ATOM 25 C CB . GLN A 1 3 ? -1.270 26.058 3.387 1.00 8.81 ? 3 GLN A CB 1 ATOM 26 C CG . GLN A 1 3 ? -0.559 25.700 2.049 1.00 4.52 ? 3 GLN A CG 1 ATOM 27 C CD . GLN A 1 3 ? -0.228 24.252 1.905 1.00 2.01 ? 3 GLN A CD 1 ATOM 28 O OE1 . GLN A 1 3 ? 0.916 23.834 1.821 1.00 2.00 ? 3 GLN A OE1 1 ATOM 29 N NE2 . GLN A 1 3 ? -1.183 23.356 1.843 1.00 2.01 ? 3 GLN A NE2 1 ATOM 30 N N . THR A 1 4 ? 0.336 27.842 5.414 1.00 6.32 ? 4 THR A N 1 ATOM 31 C CA . THR A 1 4 ? 1.358 28.794 5.810 1.00 7.28 ? 4 THR A CA 1 ATOM 32 C C . THR A 1 4 ? 2.437 28.253 6.708 1.00 7.37 ? 4 THR A C 1 ATOM 33 O O . THR A 1 4 ? 3.605 28.633 6.508 1.00 8.57 ? 4 THR A O 1 ATOM 34 C CB . THR A 1 4 ? 0.695 30.056 6.521 1.00 6.27 ? 4 THR A CB 1 ATOM 35 O OG1 . THR A 1 4 ? -0.373 30.394 5.594 1.00 12.53 ? 4 THR A OG1 1 ATOM 36 C CG2 . THR A 1 4 ? 1.633 31.195 6.851 1.00 8.00 ? 4 THR A CG2 1 ATOM 37 N N . TYR A 1 5 ? 2.152 27.481 7.746 1.00 11.01 ? 5 TYR A N 1 ATOM 38 C CA . TYR A 1 5 ? 3.112 26.959 8.694 1.00 8.83 ? 5 TYR A CA 1 ATOM 39 C C . TYR A 1 5 ? 4.285 26.270 7.974 1.00 8.21 ? 5 TYR A C 1 ATOM 40 O O . TYR A 1 5 ? 5.444 26.501 8.273 1.00 10.23 ? 5 TYR A O 1 ATOM 41 C CB . TYR A 1 5 ? 2.542 25.950 9.757 1.00 11.49 ? 5 TYR A CB 1 ATOM 42 C CG . TYR A 1 5 ? 1.644 26.703 10.730 1.00 16.04 ? 5 TYR A CG 1 ATOM 43 C CD1 . TYR A 1 5 ? 2.028 27.931 11.239 1.00 20.40 ? 5 TYR A CD1 1 ATOM 44 C CD2 . TYR A 1 5 ? 0.389 26.235 11.070 1.00 19.22 ? 5 TYR A CD2 1 ATOM 45 C CE1 . TYR A 1 5 ? 1.222 28.664 12.090 1.00 25.47 ? 5 TYR A CE1 1 ATOM 46 C CE2 . TYR A 1 5 ? -0.443 26.925 11.931 1.00 24.06 ? 5 TYR A CE2 1 ATOM 47 C CZ . TYR A 1 5 ? -0.035 28.155 12.433 1.00 27.16 ? 5 TYR A CZ 1 ATOM 48 O OH . TYR A 1 5 ? -0.841 28.876 13.284 1.00 33.19 ? 5 TYR A OH 1 ATOM 49 N N . VAL A 1 6 ? 3.868 25.368 7.129 1.00 7.37 ? 6 VAL A N 1 ATOM 50 C CA . VAL A 1 6 ? 4.627 24.540 6.227 1.00 9.73 ? 6 VAL A CA 1 ATOM 51 C C . VAL A 1 6 ? 5.401 25.387 5.208 1.00 10.15 ? 6 VAL A C 1 ATOM 52 O O . VAL A 1 6 ? 6.646 25.296 5.145 1.00 10.52 ? 6 VAL A O 1 ATOM 53 C CB . VAL A 1 6 ? 3.609 23.559 5.569 1.00 7.93 ? 6 VAL A CB 1 ATOM 54 C CG1 . VAL A 1 6 ? 4.029 23.176 4.185 1.00 14.79 ? 6 VAL A CG1 1 ATOM 55 C CG2 . VAL A 1 6 ? 3.299 22.316 6.390 1.00 9.43 ? 6 VAL A CG2 1 ATOM 56 N N . ASP A 1 7 ? 4.719 26.210 4.419 1.00 12.25 ? 7 ASP A N 1 ATOM 57 C CA . ASP A 1 7 ? 5.357 27.000 3.324 1.00 6.75 ? 7 ASP A CA 1 ATOM 58 C C . ASP A 1 7 ? 6.281 28.051 3.829 1.00 9.18 ? 7 ASP A C 1 ATOM 59 O O . ASP A 1 7 ? 7.504 28.120 3.461 1.00 12.81 ? 7 ASP A O 1 ATOM 60 C CB . ASP A 1 7 ? 4.295 27.510 2.354 1.00 4.36 ? 7 ASP A CB 1 ATOM 61 C CG . ASP A 1 7 ? 3.566 26.421 1.603 1.00 7.32 ? 7 ASP A CG 1 ATOM 62 O OD1 . ASP A 1 7 ? 3.999 25.257 1.338 1.00 8.29 ? 7 ASP A OD1 1 ATOM 63 O OD2 . ASP A 1 7 ? 2.419 26.763 1.188 1.00 8.63 ? 7 ASP A OD2 1 ATOM 64 N N . THR A 1 8 ? 5.749 28.924 4.656 1.00 8.27 ? 8 THR A N 1 ATOM 65 C CA . THR A 1 8 ? 6.442 30.021 5.273 1.00 9.71 ? 8 THR A CA 1 ATOM 66 C C . THR A 1 8 ? 7.251 29.781 6.524 1.00 8.99 ? 8 THR A C 1 ATOM 67 O O . THR A 1 8 ? 8.400 30.265 6.655 1.00 12.37 ? 8 THR A O 1 ATOM 68 C CB . THR A 1 8 ? 5.401 31.185 5.629 1.00 10.63 ? 8 THR A CB 1 ATOM 69 O OG1 . THR A 1 8 ? 4.580 31.375 4.437 1.00 13.61 ? 8 THR A OG1 1 ATOM 70 C CG2 . THR A 1 8 ? 6.126 32.450 6.053 1.00 14.74 ? 8 THR A CG2 1 ATOM 71 N N . ASN A 1 9 ? 6.706 29.066 7.497 1.00 9.68 ? 9 ASN A N 1 ATOM 72 C CA . ASN A 1 9 ? 7.386 28.914 8.822 1.00 7.66 ? 9 ASN A CA 1 ATOM 73 C C . ASN A 1 9 ? 8.379 27.804 8.844 1.00 7.74 ? 9 ASN A C 1 ATOM 74 O O . ASN A 1 9 ? 9.292 27.750 9.717 1.00 10.97 ? 9 ASN A O 1 ATOM 75 C CB . ASN A 1 9 ? 6.292 28.921 9.904 1.00 7.95 ? 9 ASN A CB 1 ATOM 76 C CG . ASN A 1 9 ? 5.546 30.252 9.982 1.00 4.62 ? 9 ASN A CG 1 ATOM 77 O OD1 . ASN A 1 9 ? 6.153 31.299 10.316 1.00 11.06 ? 9 ASN A OD1 1 ATOM 78 N ND2 . ASN A 1 9 ? 4.263 30.297 9.633 1.00 7.15 ? 9 ASN A ND2 1 ATOM 79 N N . LEU A 1 10 ? 8.277 26.890 7.896 1.00 6.17 ? 10 LEU A N 1 ATOM 80 C CA . LEU A 1 10 ? 9.239 25.783 7.827 1.00 7.50 ? 10 LEU A CA 1 ATOM 81 C C . LEU A 1 10 ? 10.181 25.874 6.630 1.00 6.42 ? 10 LEU A C 1 ATOM 82 O O . LEU A 1 10 ? 11.368 26.118 6.745 1.00 9.16 ? 10 LEU A O 1 ATOM 83 C CB . LEU A 1 10 ? 8.448 24.464 7.936 1.00 3.18 ? 10 LEU A CB 1 ATOM 84 C CG . LEU A 1 10 ? 8.096 23.980 9.343 1.00 3.47 ? 10 LEU A CG 1 ATOM 85 C CD1 . LEU A 1 10 ? 7.249 22.708 9.227 1.00 7.43 ? 10 LEU A CD1 1 ATOM 86 C CD2 . LEU A 1 10 ? 9.327 23.708 10.160 1.00 3.71 ? 10 LEU A CD2 1 ATOM 87 N N . VAL A 1 11 ? 9.635 25.640 5.467 1.00 8.89 ? 11 VAL A N 1 ATOM 88 C CA . VAL A 1 11 ? 10.315 25.615 4.179 1.00 10.87 ? 11 VAL A CA 1 ATOM 89 C C . VAL A 1 11 ? 10.872 27.023 3.907 1.00 11.37 ? 11 VAL A C 1 ATOM 90 O O . VAL A 1 11 ? 12.086 27.159 3.645 1.00 12.99 ? 11 VAL A O 1 ATOM 91 C CB . VAL A 1 11 ? 9.403 25.036 3.078 1.00 8.76 ? 11 VAL A CB 1 ATOM 92 C CG1 . VAL A 1 11 ? 9.983 25.371 1.709 1.00 15.51 ? 11 VAL A CG1 1 ATOM 93 C CG2 . VAL A 1 11 ? 9.274 23.505 3.156 1.00 7.51 ? 11 VAL A CG2 1 ATOM 94 N N . GLY A 1 12 ? 9.994 28.003 4.041 1.00 9.40 ? 12 GLY A N 1 ATOM 95 C CA . GLY A 1 12 ? 10.365 29.376 3.854 1.00 9.76 ? 12 GLY A CA 1 ATOM 96 C C . GLY A 1 12 ? 11.582 29.869 4.568 1.00 11.63 ? 12 GLY A C 1 ATOM 97 O O . GLY A 1 12 ? 12.134 30.961 4.225 1.00 15.82 ? 12 GLY A O 1 ATOM 98 N N . THR A 1 13 ? 12.033 29.221 5.607 1.00 15.13 ? 13 THR A N 1 ATOM 99 C CA . THR A 1 13 ? 13.155 29.604 6.452 1.00 14.74 ? 13 THR A CA 1 ATOM 100 C C . THR A 1 13 ? 14.501 29.120 5.965 1.00 14.43 ? 13 THR A C 1 ATOM 101 O O . THR A 1 13 ? 15.556 29.601 6.446 1.00 14.70 ? 13 THR A O 1 ATOM 102 C CB . THR A 1 13 ? 12.932 29.053 7.949 1.00 16.35 ? 13 THR A CB 1 ATOM 103 O OG1 . THR A 1 13 ? 13.304 27.643 7.955 1.00 14.33 ? 13 THR A OG1 1 ATOM 104 C CG2 . THR A 1 13 ? 11.497 29.300 8.354 1.00 19.31 ? 13 THR A CG2 1 ATOM 105 N N . GLY A 1 14 ? 14.427 28.117 5.142 1.00 10.59 ? 14 GLY A N 1 ATOM 106 C CA . GLY A 1 14 ? 15.551 27.427 4.547 1.00 11.78 ? 14 GLY A CA 1 ATOM 107 C C . GLY A 1 14 ? 16.310 26.479 5.392 1.00 11.58 ? 14 GLY A C 1 ATOM 108 O O . GLY A 1 14 ? 17.448 26.083 5.042 1.00 15.34 ? 14 GLY A O 1 ATOM 109 N N . ALA A 1 15 ? 15.793 26.115 6.542 1.00 13.50 ? 15 ALA A N 1 ATOM 110 C CA . ALA A 1 15 ? 16.441 25.194 7.503 1.00 10.48 ? 15 ALA A CA 1 ATOM 111 C C . ALA A 1 15 ? 15.884 23.787 7.266 1.00 9.46 ? 15 ALA A C 1 ATOM 112 O O . ALA A 1 15 ? 16.340 22.771 7.790 1.00 7.36 ? 15 ALA A O 1 ATOM 113 C CB . ALA A 1 15 ? 16.177 25.701 8.909 1.00 13.32 ? 15 ALA A CB 1 ATOM 114 N N . VAL A 1 16 ? 14.841 23.834 6.418 1.00 10.75 ? 16 VAL A N 1 ATOM 115 C CA . VAL A 1 16 ? 14.112 22.582 6.059 1.00 14.17 ? 16 VAL A CA 1 ATOM 116 C C . VAL A 1 16 ? 13.777 22.654 4.581 1.00 13.63 ? 16 VAL A C 1 ATOM 117 O O . VAL A 1 16 ? 13.448 23.758 4.129 1.00 17.90 ? 16 VAL A O 1 ATOM 118 C CB . VAL A 1 16 ? 12.884 22.522 7.032 1.00 16.91 ? 16 VAL A CB 1 ATOM 119 C CG1 . VAL A 1 16 ? 11.601 22.019 6.458 1.00 12.82 ? 16 VAL A CG1 1 ATOM 120 C CG2 . VAL A 1 16 ? 13.255 21.728 8.304 1.00 11.91 ? 16 VAL A CG2 1 ATOM 121 N N . THR A 1 17 ? 13.861 21.576 3.861 1.00 11.88 ? 17 THR A N 1 ATOM 122 C CA . THR A 1 17 ? 13.609 21.452 2.451 1.00 8.75 ? 17 THR A CA 1 ATOM 123 C C . THR A 1 17 ? 12.180 21.139 2.111 1.00 8.73 ? 17 THR A C 1 ATOM 124 O O . THR A 1 17 ? 11.684 21.708 1.129 1.00 11.33 ? 17 THR A O 1 ATOM 125 C CB . THR A 1 17 ? 14.541 20.342 1.787 1.00 13.91 ? 17 THR A CB 1 ATOM 126 O OG1 . THR A 1 17 ? 15.865 20.987 1.721 1.00 19.76 ? 17 THR A OG1 1 ATOM 127 C CG2 . THR A 1 17 ? 14.113 19.909 0.377 1.00 14.01 ? 17 THR A CG2 1 ATOM 128 N N . GLN A 1 18 ? 11.591 20.181 2.800 1.00 5.19 ? 18 GLN A N 1 ATOM 129 C CA . GLN A 1 18 ? 10.223 19.684 2.641 1.00 5.61 ? 18 GLN A CA 1 ATOM 130 C C . GLN A 1 18 ? 9.629 19.554 4.076 1.00 7.96 ? 18 GLN A C 1 ATOM 131 O O . GLN A 1 18 ? 10.415 19.064 4.933 1.00 8.05 ? 18 GLN A O 1 ATOM 132 C CB . GLN A 1 18 ? 10.225 18.239 2.074 1.00 8.07 ? 18 GLN A CB 1 ATOM 133 C CG . GLN A 1 18 ? 10.955 18.131 0.742 1.00 7.57 ? 18 GLN A CG 1 ATOM 134 C CD . GLN A 1 18 ? 10.942 16.793 0.100 1.00 6.61 ? 18 GLN A CD 1 ATOM 135 O OE1 . GLN A 1 18 ? 10.176 16.530 -0.839 1.00 11.55 ? 18 GLN A OE1 1 ATOM 136 N NE2 . GLN A 1 18 ? 11.768 15.895 0.577 1.00 6.53 ? 18 GLN A NE2 1 ATOM 137 N N . ALA A 1 19 ? 8.404 19.956 4.225 1.00 3.88 ? 19 ALA A N 1 ATOM 138 C CA . ALA A 1 19 ? 7.737 19.871 5.591 1.00 5.74 ? 19 ALA A CA 1 ATOM 139 C C . ALA A 1 19 ? 6.280 19.491 5.463 1.00 3.85 ? 19 ALA A C 1 ATOM 140 O O . ALA A 1 19 ? 5.536 19.757 4.497 1.00 2.95 ? 19 ALA A O 1 ATOM 141 C CB . ALA A 1 19 ? 7.942 21.180 6.333 1.00 2.00 ? 19 ALA A CB 1 ATOM 142 N N . ALA A 1 20 ? 5.793 18.783 6.455 1.00 7.30 ? 20 ALA A N 1 ATOM 143 C CA . ALA A 1 20 ? 4.359 18.400 6.493 1.00 5.90 ? 20 ALA A CA 1 ATOM 144 C C . ALA A 1 20 ? 3.905 18.580 7.961 1.00 8.50 ? 20 ALA A C 1 ATOM 145 O O . ALA A 1 20 ? 4.786 18.634 8.831 1.00 7.90 ? 20 ALA A O 1 ATOM 146 C CB . ALA A 1 20 ? 4.086 17.005 6.009 1.00 8.06 ? 20 ALA A CB 1 ATOM 147 N N . ILE A 1 21 ? 2.598 18.694 8.123 1.00 6.80 ? 21 ILE A N 1 ATOM 148 C CA . ILE A 1 21 ? 1.980 18.796 9.449 1.00 7.29 ? 21 ILE A CA 1 ATOM 149 C C . ILE A 1 21 ? 0.896 17.723 9.520 1.00 4.07 ? 21 ILE A C 1 ATOM 150 O O . ILE A 1 21 ? -0.027 17.736 8.672 1.00 3.88 ? 21 ILE A O 1 ATOM 151 C CB . ILE A 1 21 ? 1.433 20.175 9.892 1.00 6.35 ? 21 ILE A CB 1 ATOM 152 C CG1 . ILE A 1 21 ? 2.516 21.177 10.328 1.00 2.42 ? 21 ILE A CG1 1 ATOM 153 C CG2 . ILE A 1 21 ? 0.467 19.906 11.095 1.00 11.37 ? 21 ILE A CG2 1 ATOM 154 C CD1 . ILE A 1 21 ? 1.913 22.617 10.465 1.00 2.07 ? 21 ILE A CD1 1 ATOM 155 N N . LEU A 1 22 ? 1.125 16.800 10.453 1.00 2.56 ? 22 LEU A N 1 ATOM 156 C CA . LEU A 1 22 ? 0.109 15.740 10.603 1.00 5.91 ? 22 LEU A CA 1 ATOM 157 C C . LEU A 1 22 ? -0.746 15.810 11.887 1.00 7.02 ? 22 LEU A C 1 ATOM 158 O O . LEU A 1 22 ? -0.428 16.426 12.904 1.00 9.72 ? 22 LEU A O 1 ATOM 159 C CB . LEU A 1 22 ? 0.828 14.393 10.649 1.00 6.23 ? 22 LEU A CB 1 ATOM 160 C CG . LEU A 1 22 ? 1.490 13.687 9.520 1.00 6.97 ? 22 LEU A CG 1 ATOM 161 C CD1 . LEU A 1 22 ? 2.196 14.627 8.588 1.00 8.17 ? 22 LEU A CD1 1 ATOM 162 C CD2 . LEU A 1 22 ? 2.406 12.669 10.188 1.00 11.28 ? 22 LEU A CD2 1 ATOM 163 N N . GLY A 1 23 ? -1.793 15.016 11.809 1.00 6.95 ? 23 GLY A N 1 ATOM 164 C CA . GLY A 1 23 ? -2.755 14.725 12.860 1.00 9.35 ? 23 GLY A CA 1 ATOM 165 C C . GLY A 1 23 ? -2.231 13.431 13.546 1.00 11.77 ? 23 GLY A C 1 ATOM 166 O O . GLY A 1 23 ? -1.492 12.647 12.979 1.00 9.50 ? 23 GLY A O 1 ATOM 167 N N . LEU A 1 24 ? -2.664 13.254 14.794 1.00 14.40 ? 24 LEU A N 1 ATOM 168 C CA . LEU A 1 24 ? -2.297 12.093 15.626 1.00 11.10 ? 24 LEU A CA 1 ATOM 169 C C . LEU A 1 24 ? -2.936 10.853 15.065 1.00 9.29 ? 24 LEU A C 1 ATOM 170 O O . LEU A 1 24 ? -2.533 9.737 15.498 1.00 14.12 ? 24 LEU A O 1 ATOM 171 C CB . LEU A 1 24 ? -2.527 12.435 17.114 1.00 10.52 ? 24 LEU A CB 1 ATOM 172 C CG . LEU A 1 24 ? -1.640 13.453 17.800 1.00 8.31 ? 24 LEU A CG 1 ATOM 173 C CD1 . LEU A 1 24 ? -1.945 13.514 19.309 1.00 7.28 ? 24 LEU A CD1 1 ATOM 174 C CD2 . LEU A 1 24 ? -0.176 13.071 17.656 1.00 9.02 ? 24 LEU A CD2 1 ATOM 175 N N . ASP A 1 25 ? -3.837 10.999 14.108 1.00 8.93 ? 25 ASP A N 1 ATOM 176 C CA . ASP A 1 25 ? -4.383 9.784 13.450 1.00 13.21 ? 25 ASP A CA 1 ATOM 177 C C . ASP A 1 25 ? -3.473 9.404 12.249 1.00 14.94 ? 25 ASP A C 1 ATOM 178 O O . ASP A 1 25 ? -3.806 8.443 11.554 1.00 15.01 ? 25 ASP A O 1 ATOM 179 C CB . ASP A 1 25 ? -5.788 9.958 12.935 1.00 14.11 ? 25 ASP A CB 1 ATOM 180 C CG . ASP A 1 25 ? -5.967 11.154 12.015 1.00 9.12 ? 25 ASP A CG 1 ATOM 181 O OD1 . ASP A 1 25 ? -5.115 12.030 11.975 1.00 14.85 ? 25 ASP A OD1 1 ATOM 182 O OD2 . ASP A 1 25 ? -7.000 11.154 11.335 1.00 10.60 ? 25 ASP A OD2 1 ATOM 183 N N . GLY A 1 26 ? -2.444 10.233 12.037 1.00 16.68 ? 26 GLY A N 1 ATOM 184 C CA . GLY A 1 26 ? -1.504 10.062 10.930 1.00 14.51 ? 26 GLY A CA 1 ATOM 185 C C . GLY A 1 26 ? -1.900 10.679 9.580 1.00 10.89 ? 26 GLY A C 1 ATOM 186 O O . GLY A 1 26 ? -1.149 10.458 8.616 1.00 7.82 ? 26 GLY A O 1 ATOM 187 N N . ASN A 1 27 ? -2.991 11.372 9.471 1.00 9.78 ? 27 ASN A N 1 ATOM 188 C CA . ASN A 1 27 ? -3.481 12.049 8.276 1.00 10.60 ? 27 ASN A CA 1 ATOM 189 C C . ASN A 1 27 ? -2.814 13.415 8.205 1.00 10.53 ? 27 ASN A C 1 ATOM 190 O O . ASN A 1 27 ? -2.579 14.089 9.206 1.00 10.68 ? 27 ASN A O 1 ATOM 191 C CB . ASN A 1 27 ? -4.987 12.058 8.105 1.00 15.68 ? 27 ASN A CB 1 ATOM 192 C CG . ASN A 1 27 ? -5.482 10.622 7.796 1.00 21.29 ? 27 ASN A CG 1 ATOM 193 O OD1 . ASN A 1 27 ? -4.912 9.910 6.929 1.00 23.17 ? 27 ASN A OD1 1 ATOM 194 N ND2 . ASN A 1 27 ? -6.502 10.151 8.488 1.00 23.40 ? 27 ASN A ND2 1 ATOM 195 N N . THR A 1 28 ? -2.456 13.804 6.979 1.00 9.29 ? 28 THR A N 1 ATOM 196 C CA . THR A 1 28 ? -1.749 15.069 6.720 1.00 8.51 ? 28 THR A CA 1 ATOM 197 C C . THR A 1 28 ? -2.719 16.230 6.836 1.00 7.05 ? 28 THR A C 1 ATOM 198 O O . THR A 1 28 ? -3.867 16.119 6.396 1.00 5.46 ? 28 THR A O 1 ATOM 199 C CB . THR A 1 28 ? -1.029 15.009 5.301 1.00 10.29 ? 28 THR A CB 1 ATOM 200 O OG1 . THR A 1 28 ? -0.057 13.924 5.404 1.00 11.43 ? 28 THR A OG1 1 ATOM 201 C CG2 . THR A 1 28 ? -0.436 16.334 4.855 1.00 11.76 ? 28 THR A CG2 1 ATOM 202 N N . TRP A 1 29 ? -2.206 17.337 7.409 1.00 9.81 ? 29 TRP A N 1 ATOM 203 C CA . TRP A 1 29 ? -3.048 18.546 7.565 1.00 9.82 ? 29 TRP A CA 1 ATOM 204 C C . TRP A 1 29 ? -2.698 19.526 6.446 1.00 9.04 ? 29 TRP A C 1 ATOM 205 O O . TRP A 1 29 ? -3.567 20.168 5.881 1.00 10.68 ? 29 TRP A O 1 ATOM 206 C CB . TRP A 1 29 ? -2.947 19.115 8.965 1.00 8.29 ? 29 TRP A CB 1 ATOM 207 C CG . TRP A 1 29 ? -3.697 18.327 10.010 1.00 13.02 ? 29 TRP A CG 1 ATOM 208 C CD1 . TRP A 1 29 ? -4.333 17.106 9.892 1.00 6.86 ? 29 TRP A CD1 1 ATOM 209 C CD2 . TRP A 1 29 ? -3.723 18.647 11.426 1.00 9.21 ? 29 TRP A CD2 1 ATOM 210 N NE1 . TRP A 1 29 ? -4.805 16.695 11.098 1.00 2.84 ? 29 TRP A NE1 1 ATOM 211 C CE2 . TRP A 1 29 ? -4.432 17.600 12.056 1.00 9.70 ? 29 TRP A CE2 1 ATOM 212 C CE3 . TRP A 1 29 ? -3.200 19.691 12.171 1.00 12.17 ? 29 TRP A CE3 1 ATOM 213 C CZ2 . TRP A 1 29 ? -4.634 17.619 13.443 1.00 7.91 ? 29 TRP A CZ2 1 ATOM 214 C CZ3 . TRP A 1 29 ? -3.444 19.732 13.553 1.00 12.12 ? 29 TRP A CZ3 1 ATOM 215 C CH2 . TRP A 1 29 ? -4.140 18.694 14.151 1.00 6.59 ? 29 TRP A CH2 1 ATOM 216 N N . ALA A 1 30 ? -1.408 19.577 6.159 1.00 10.24 ? 30 ALA A N 1 ATOM 217 C CA . ALA A 1 30 ? -0.806 20.412 5.127 1.00 7.12 ? 30 ALA A CA 1 ATOM 218 C C . ALA A 1 30 ? 0.587 19.861 4.799 1.00 6.19 ? 30 ALA A C 1 ATOM 219 O O . ALA A 1 30 ? 1.293 19.289 5.666 1.00 2.11 ? 30 ALA A O 1 ATOM 220 C CB . ALA A 1 30 ? -0.757 21.860 5.619 1.00 5.34 ? 30 ALA A CB 1 ATOM 221 N N . THR A 1 31 ? 0.947 20.042 3.486 1.00 5.95 ? 31 THR A N 1 ATOM 222 C CA . THR A 1 31 ? 2.279 19.539 3.034 1.00 4.40 ? 31 THR A CA 1 ATOM 223 C C . THR A 1 31 ? 2.976 20.456 2.067 1.00 5.03 ? 31 THR A C 1 ATOM 224 O O . THR A 1 31 ? 2.261 21.149 1.338 1.00 7.43 ? 31 THR A O 1 ATOM 225 C CB . THR A 1 31 ? 2.021 18.055 2.513 1.00 2.43 ? 31 THR A CB 1 ATOM 226 O OG1 . THR A 1 31 ? 3.298 17.388 2.595 1.00 2.00 ? 31 THR A OG1 1 ATOM 227 C CG2 . THR A 1 31 ? 1.208 17.951 1.272 1.00 2.01 ? 31 THR A CG2 1 ATOM 228 N N . SER A 1 32 ? 4.319 20.440 2.011 1.00 8.16 ? 32 SER A N 1 ATOM 229 C CA . SER A 1 32 ? 5.061 21.272 1.013 1.00 9.60 ? 32 SER A CA 1 ATOM 230 C C . SER A 1 32 ? 4.873 20.620 -0.362 1.00 9.54 ? 32 SER A C 1 ATOM 231 O O . SER A 1 32 ? 4.842 19.371 -0.421 1.00 10.93 ? 32 SER A O 1 ATOM 232 C CB . SER A 1 32 ? 6.497 21.550 1.338 1.00 7.10 ? 32 SER A CB 1 ATOM 233 O OG . SER A 1 32 ? 7.178 20.339 1.622 1.00 9.34 ? 32 SER A OG 1 ATOM 234 N N . ALA A 1 33 ? 4.664 21.446 -1.372 1.00 9.74 ? 33 ALA A N 1 ATOM 235 C CA . ALA A 1 33 ? 4.385 20.971 -2.769 1.00 9.70 ? 33 ALA A CA 1 ATOM 236 C C . ALA A 1 33 ? 5.302 19.817 -3.115 1.00 8.86 ? 33 ALA A C 1 ATOM 237 O O . ALA A 1 33 ? 6.533 19.962 -2.916 1.00 11.76 ? 33 ALA A O 1 ATOM 238 C CB . ALA A 1 33 ? 4.475 22.173 -3.730 1.00 4.07 ? 33 ALA A CB 1 ATOM 239 N N . GLY A 1 34 ? 4.795 18.684 -3.564 1.00 8.57 ? 34 GLY A N 1 ATOM 240 C CA . GLY A 1 34 ? 5.647 17.542 -3.857 1.00 7.21 ? 34 GLY A CA 1 ATOM 241 C C . GLY A 1 34 ? 6.104 16.692 -2.719 1.00 10.35 ? 34 GLY A C 1 ATOM 242 O O . GLY A 1 34 ? 6.726 15.616 -2.959 1.00 10.64 ? 34 GLY A O 1 ATOM 243 N N . PHE A 1 35 ? 5.926 17.071 -1.450 1.00 11.23 ? 35 PHE A N 1 ATOM 244 C CA . PHE A 1 35 ? 6.305 16.186 -0.309 1.00 9.19 ? 35 PHE A CA 1 ATOM 245 C C . PHE A 1 35 ? 5.088 15.325 0.075 1.00 7.92 ? 35 PHE A C 1 ATOM 246 O O . PHE A 1 35 ? 3.987 15.822 0.299 1.00 6.63 ? 35 PHE A O 1 ATOM 247 C CB . PHE A 1 35 ? 6.913 16.954 0.808 1.00 9.08 ? 35 PHE A CB 1 ATOM 248 C CG . PHE A 1 35 ? 7.294 16.164 2.027 1.00 9.52 ? 35 PHE A CG 1 ATOM 249 C CD1 . PHE A 1 35 ? 8.122 15.044 1.908 1.00 9.77 ? 35 PHE A CD1 1 ATOM 250 C CD2 . PHE A 1 35 ? 6.812 16.493 3.287 1.00 9.71 ? 35 PHE A CD2 1 ATOM 251 C CE1 . PHE A 1 35 ? 8.565 14.332 2.997 1.00 8.93 ? 35 PHE A CE1 1 ATOM 252 C CE2 . PHE A 1 35 ? 7.264 15.806 4.437 1.00 12.36 ? 35 PHE A CE2 1 ATOM 253 C CZ . PHE A 1 35 ? 8.175 14.734 4.275 1.00 11.22 ? 35 PHE A CZ 1 ATOM 254 N N . ALA A 1 36 ? 5.206 13.997 0.109 1.00 9.89 ? 36 ALA A N 1 ATOM 255 C CA . ALA A 1 36 ? 4.101 13.140 0.458 1.00 14.68 ? 36 ALA A CA 1 ATOM 256 C C . ALA A 1 36 ? 4.335 12.064 1.519 1.00 13.78 ? 36 ALA A C 1 ATOM 257 O O . ALA A 1 36 ? 4.983 11.036 1.269 1.00 18.29 ? 36 ALA A O 1 ATOM 258 C CB . ALA A 1 36 ? 3.432 12.513 -0.783 1.00 11.75 ? 36 ALA A CB 1 ATOM 259 N N . VAL A 1 37 ? 3.773 12.276 2.676 1.00 16.63 ? 37 VAL A N 1 ATOM 260 C CA . VAL A 1 37 ? 3.800 11.337 3.814 1.00 17.84 ? 37 VAL A CA 1 ATOM 261 C C . VAL A 1 37 ? 2.492 10.524 3.670 1.00 17.39 ? 37 VAL A C 1 ATOM 262 O O . VAL A 1 37 ? 1.388 11.087 3.652 1.00 21.07 ? 37 VAL A O 1 ATOM 263 C CB . VAL A 1 37 ? 3.920 11.950 5.195 1.00 15.74 ? 37 VAL A CB 1 ATOM 264 C CG1 . VAL A 1 37 ? 3.654 10.897 6.268 1.00 15.74 ? 37 VAL A CG1 1 ATOM 265 C CG2 . VAL A 1 37 ? 5.262 12.605 5.448 1.00 18.83 ? 37 VAL A CG2 1 ATOM 266 N N . THR A 1 38 ? 2.640 9.230 3.461 1.00 16.85 ? 38 THR A N 1 ATOM 267 C CA . THR A 1 38 ? 1.360 8.480 3.274 1.00 19.14 ? 38 THR A CA 1 ATOM 268 C C . THR A 1 38 ? 0.713 8.243 4.618 1.00 19.53 ? 38 THR A C 1 ATOM 269 O O . THR A 1 38 ? 1.356 8.427 5.700 1.00 19.15 ? 38 THR A O 1 ATOM 270 C CB . THR A 1 38 ? 1.600 7.256 2.323 1.00 17.70 ? 38 THR A CB 1 ATOM 271 O OG1 . THR A 1 38 ? 2.340 6.244 3.047 1.00 19.28 ? 38 THR A OG1 1 ATOM 272 C CG2 . THR A 1 38 ? 2.447 7.746 1.113 1.00 19.81 ? 38 THR A CG2 1 ATOM 273 N N . PRO A 1 39 ? -0.558 7.857 4.519 1.00 16.76 ? 39 PRO A N 1 ATOM 274 C CA . PRO A 1 39 ? -1.364 7.547 5.707 1.00 17.54 ? 39 PRO A CA 1 ATOM 275 C C . PRO A 1 39 ? -0.596 6.529 6.555 1.00 17.62 ? 39 PRO A C 1 ATOM 276 O O . PRO A 1 39 ? -0.327 6.700 7.752 1.00 17.25 ? 39 PRO A O 1 ATOM 277 C CB . PRO A 1 39 ? -2.611 6.874 5.127 1.00 18.05 ? 39 PRO A CB 1 ATOM 278 C CG . PRO A 1 39 ? -2.750 7.522 3.767 1.00 18.62 ? 39 PRO A CG 1 ATOM 279 C CD . PRO A 1 39 ? -1.298 7.620 3.290 1.00 18.61 ? 39 PRO A CD 1 ATOM 280 N N . ALA A 1 40 ? -0.350 5.463 5.816 1.00 14.93 ? 40 ALA A N 1 ATOM 281 C CA . ALA A 1 40 ? 0.403 4.331 6.309 1.00 17.05 ? 40 ALA A CA 1 ATOM 282 C C . ALA A 1 40 ? 1.693 4.811 6.976 1.00 17.07 ? 40 ALA A C 1 ATOM 283 O O . ALA A 1 40 ? 1.925 4.388 8.127 1.00 16.14 ? 40 ALA A O 1 ATOM 284 C CB . ALA A 1 40 ? 0.652 3.382 5.139 1.00 19.06 ? 40 ALA A CB 1 ATOM 285 N N . GLN A 1 41 ? 2.462 5.653 6.305 1.00 16.05 ? 41 GLN A N 1 ATOM 286 C CA . GLN A 1 41 ? 3.703 6.178 6.845 1.00 16.15 ? 41 GLN A CA 1 ATOM 287 C C . GLN A 1 41 ? 3.436 7.051 8.089 1.00 16.04 ? 41 GLN A C 1 ATOM 288 O O . GLN A 1 41 ? 4.260 6.972 8.993 1.00 14.62 ? 41 GLN A O 1 ATOM 289 C CB . GLN A 1 41 ? 4.484 7.089 5.891 1.00 17.36 ? 41 GLN A CB 1 ATOM 290 C CG . GLN A 1 41 ? 5.311 6.285 4.902 1.00 18.17 ? 41 GLN A CG 1 ATOM 291 C CD . GLN A 1 41 ? 5.712 7.117 3.708 1.00 17.20 ? 41 GLN A CD 1 ATOM 292 O OE1 . GLN A 1 41 ? 6.506 6.671 2.860 1.00 20.71 ? 41 GLN A OE1 1 ATOM 293 N NE2 . GLN A 1 41 ? 5.133 8.303 3.670 1.00 10.81 ? 41 GLN A NE2 1 ATOM 294 N N . GLY A 1 42 ? 2.389 7.810 7.955 1.00 16.38 ? 42 GLY A N 1 ATOM 295 C CA . GLY A 1 42 ? 1.864 8.740 8.959 1.00 17.15 ? 42 GLY A CA 1 ATOM 296 C C . GLY A 1 42 ? 1.411 8.038 10.228 1.00 16.94 ? 42 GLY A C 1 ATOM 297 O O . GLY A 1 42 ? 1.810 8.474 11.317 1.00 15.49 ? 42 GLY A O 1 ATOM 298 N N . THR A 1 43 ? 0.627 6.966 10.066 1.00 17.40 ? 43 THR A N 1 ATOM 299 C CA . THR A 1 43 ? 0.122 6.191 11.217 1.00 18.02 ? 43 THR A CA 1 ATOM 300 C C . THR A 1 43 ? 1.290 5.498 11.943 1.00 15.52 ? 43 THR A C 1 ATOM 301 O O . THR A 1 43 ? 1.289 5.359 13.210 1.00 9.29 ? 43 THR A O 1 ATOM 302 C CB . THR A 1 43 ? -1.160 5.311 11.089 1.00 20.01 ? 43 THR A CB 1 ATOM 303 O OG1 . THR A 1 43 ? -0.880 3.999 10.543 1.00 26.50 ? 43 THR A OG1 1 ATOM 304 C CG2 . THR A 1 43 ? -2.363 5.922 10.341 1.00 24.48 ? 43 THR A CG2 1 ATOM 305 N N . THR A 1 44 ? 2.300 5.131 11.161 1.00 12.27 ? 44 THR A N 1 ATOM 306 C CA . THR A 1 44 ? 3.479 4.527 11.803 1.00 14.91 ? 44 THR A CA 1 ATOM 307 C C . THR A 1 44 ? 4.216 5.530 12.704 1.00 15.33 ? 44 THR A C 1 ATOM 308 O O . THR A 1 44 ? 4.638 5.156 13.818 1.00 16.81 ? 44 THR A O 1 ATOM 309 C CB . THR A 1 44 ? 4.410 3.815 10.746 1.00 10.93 ? 44 THR A CB 1 ATOM 310 O OG1 . THR A 1 44 ? 3.567 2.717 10.256 1.00 14.32 ? 44 THR A OG1 1 ATOM 311 C CG2 . THR A 1 44 ? 5.711 3.249 11.273 1.00 11.86 ? 44 THR A CG2 1 ATOM 312 N N . LEU A 1 45 ? 4.393 6.747 12.280 1.00 15.40 ? 45 LEU A N 1 ATOM 313 C CA . LEU A 1 45 ? 5.111 7.801 12.976 1.00 15.63 ? 45 LEU A CA 1 ATOM 314 C C . LEU A 1 45 ? 4.426 8.038 14.332 1.00 16.36 ? 45 LEU A C 1 ATOM 315 O O . LEU A 1 45 ? 5.110 7.874 15.339 1.00 16.40 ? 45 LEU A O 1 ATOM 316 C CB . LEU A 1 45 ? 5.058 9.129 12.184 1.00 14.32 ? 45 LEU A CB 1 ATOM 317 C CG . LEU A 1 45 ? 5.998 10.227 12.648 1.00 10.53 ? 45 LEU A CG 1 ATOM 318 C CD1 . LEU A 1 45 ? 7.352 9.686 13.041 1.00 8.49 ? 45 LEU A CD1 1 ATOM 319 C CD2 . LEU A 1 45 ? 6.117 11.233 11.501 1.00 13.97 ? 45 LEU A CD2 1 ATOM 320 N N . ALA A 1 46 ? 3.147 8.364 14.142 1.00 16.59 ? 46 ALA A N 1 ATOM 321 C CA . ALA A 1 46 ? 2.293 8.671 15.339 1.00 15.95 ? 46 ALA A CA 1 ATOM 322 C C . ALA A 1 46 ? 2.488 7.589 16.387 1.00 14.52 ? 46 ALA A C 1 ATOM 323 O O . ALA A 1 46 ? 2.906 7.826 17.541 1.00 16.28 ? 46 ALA A O 1 ATOM 324 C CB . ALA A 1 46 ? 0.887 8.908 14.828 1.00 15.44 ? 46 ALA A CB 1 ATOM 325 N N . GLY A 1 47 ? 2.256 6.358 15.969 1.00 12.33 ? 47 GLY A N 1 ATOM 326 C CA . GLY A 1 47 ? 2.358 5.153 16.749 1.00 11.01 ? 47 GLY A CA 1 ATOM 327 C C . GLY A 1 47 ? 3.654 5.068 17.541 1.00 10.57 ? 47 GLY A C 1 ATOM 328 O O . GLY A 1 47 ? 3.682 4.695 18.735 1.00 9.35 ? 47 GLY A O 1 ATOM 329 N N . ALA A 1 48 ? 4.724 5.410 16.861 1.00 11.35 ? 48 ALA A N 1 ATOM 330 C CA . ALA A 1 48 ? 6.073 5.356 17.463 1.00 11.26 ? 48 ALA A CA 1 ATOM 331 C C . ALA A 1 48 ? 6.213 6.406 18.567 1.00 10.83 ? 48 ALA A C 1 ATOM 332 O O . ALA A 1 48 ? 7.074 6.235 19.459 1.00 8.05 ? 48 ALA A O 1 ATOM 333 C CB . ALA A 1 48 ? 7.127 5.451 16.372 1.00 6.23 ? 48 ALA A CB 1 ATOM 334 N N . PHE A 1 49 ? 5.413 7.466 18.473 1.00 11.38 ? 49 PHE A N 1 ATOM 335 C CA . PHE A 1 49 ? 5.536 8.487 19.565 1.00 12.95 ? 49 PHE A CA 1 ATOM 336 C C . PHE A 1 49 ? 5.099 7.773 20.878 1.00 15.94 ? 49 PHE A C 1 ATOM 337 O O . PHE A 1 49 ? 5.695 8.048 21.941 1.00 14.78 ? 49 PHE A O 1 ATOM 338 C CB . PHE A 1 49 ? 4.889 9.797 19.278 1.00 9.98 ? 49 PHE A CB 1 ATOM 339 C CG . PHE A 1 49 ? 5.731 10.746 18.448 1.00 8.25 ? 49 PHE A CG 1 ATOM 340 C CD1 . PHE A 1 49 ? 6.855 11.353 18.979 1.00 6.69 ? 49 PHE A CD1 1 ATOM 341 C CD2 . PHE A 1 49 ? 5.371 10.986 17.120 1.00 8.39 ? 49 PHE A CD2 1 ATOM 342 C CE1 . PHE A 1 49 ? 7.616 12.223 18.215 1.00 8.07 ? 49 PHE A CE1 1 ATOM 343 C CE2 . PHE A 1 49 ? 6.122 11.900 16.353 1.00 7.67 ? 49 PHE A CE2 1 ATOM 344 C CZ . PHE A 1 49 ? 7.229 12.511 16.899 1.00 5.10 ? 49 PHE A CZ 1 ATOM 345 N N . ASN A 1 50 ? 4.158 6.877 20.725 1.00 14.71 ? 50 ASN A N 1 ATOM 346 C CA . ASN A 1 50 ? 3.668 6.023 21.863 1.00 17.55 ? 50 ASN A CA 1 ATOM 347 C C . ASN A 1 50 ? 4.661 4.919 22.166 1.00 14.67 ? 50 ASN A C 1 ATOM 348 O O . ASN A 1 50 ? 5.279 4.863 23.257 1.00 13.74 ? 50 ASN A O 1 ATOM 349 C CB . ASN A 1 50 ? 2.232 5.606 21.486 1.00 18.85 ? 50 ASN A CB 1 ATOM 350 C CG . ASN A 1 50 ? 1.425 6.922 21.327 1.00 25.55 ? 50 ASN A CG 1 ATOM 351 O OD1 . ASN A 1 50 ? 1.677 7.833 22.172 1.00 28.03 ? 50 ASN A OD1 1 ATOM 352 N ND2 . ASN A 1 50 ? 0.571 7.032 20.332 1.00 23.56 ? 50 ASN A ND2 1 ATOM 353 N N . ASN A 1 51 ? 4.915 4.031 21.236 1.00 13.01 ? 51 ASN A N 1 ATOM 354 C CA . ASN A 1 51 ? 5.913 2.930 21.498 1.00 12.46 ? 51 ASN A CA 1 ATOM 355 C C . ASN A 1 51 ? 6.902 2.977 20.319 1.00 12.03 ? 51 ASN A C 1 ATOM 356 O O . ASN A 1 51 ? 6.373 2.734 19.225 1.00 11.19 ? 51 ASN A O 1 ATOM 357 C CB . ASN A 1 51 ? 5.167 1.586 21.576 1.00 14.35 ? 51 ASN A CB 1 ATOM 358 C CG . ASN A 1 51 ? 6.178 0.447 21.776 1.00 15.80 ? 51 ASN A CG 1 ATOM 359 O OD1 . ASN A 1 51 ? 7.339 0.687 22.128 1.00 18.50 ? 51 ASN A OD1 1 ATOM 360 N ND2 . ASN A 1 51 ? 5.745 -0.790 21.589 1.00 18.35 ? 51 ASN A ND2 1 ATOM 361 N N . ALA A 1 52 ? 8.109 3.335 20.553 1.00 12.29 ? 52 ALA A N 1 ATOM 362 C CA . ALA A 1 52 ? 9.163 3.433 19.574 1.00 18.70 ? 52 ALA A CA 1 ATOM 363 C C . ALA A 1 52 ? 9.954 2.114 19.437 1.00 21.18 ? 52 ALA A C 1 ATOM 364 O O . ALA A 1 52 ? 11.124 2.202 19.063 1.00 17.38 ? 52 ALA A O 1 ATOM 365 C CB . ALA A 1 52 ? 10.180 4.508 19.986 1.00 18.09 ? 52 ALA A CB 1 ATOM 366 N N . ASP A 1 53 ? 9.348 0.984 19.777 1.00 25.79 ? 53 ASP A N 1 ATOM 367 C CA . ASP A 1 53 ? 10.028 -0.331 19.671 1.00 28.09 ? 53 ASP A CA 1 ATOM 368 C C . ASP A 1 53 ? 10.379 -0.635 18.211 1.00 26.38 ? 53 ASP A C 1 ATOM 369 O O . ASP A 1 53 ? 11.555 -0.777 17.850 1.00 27.29 ? 53 ASP A O 1 ATOM 370 C CB . ASP A 1 53 ? 9.134 -1.448 20.238 1.00 34.73 ? 53 ASP A CB 1 ATOM 371 C CG . ASP A 1 53 ? 9.574 -1.872 21.645 1.00 40.21 ? 53 ASP A CG 1 ATOM 372 O OD1 . ASP A 1 53 ? 10.686 -1.524 22.094 1.00 39.40 ? 53 ASP A OD1 1 ATOM 373 O OD2 . ASP A 1 53 ? 8.704 -2.574 22.237 1.00 43.31 ? 53 ASP A OD2 1 ATOM 374 N N . ALA A 1 54 ? 9.291 -0.724 17.447 1.00 24.34 ? 54 ALA A N 1 ATOM 375 C CA . ALA A 1 54 ? 9.381 -0.974 16.010 1.00 23.90 ? 54 ALA A CA 1 ATOM 376 C C . ALA A 1 54 ? 10.531 -0.148 15.405 1.00 22.07 ? 54 ALA A C 1 ATOM 377 O O . ALA A 1 54 ? 11.592 -0.746 15.112 1.00 22.25 ? 54 ALA A O 1 ATOM 378 C CB . ALA A 1 54 ? 8.049 -0.648 15.336 1.00 26.76 ? 54 ALA A CB 1 ATOM 379 N N . ILE A 1 55 ? 10.295 1.123 15.277 1.00 16.42 ? 55 ILE A N 1 ATOM 380 C CA . ILE A 1 55 ? 11.103 2.180 14.731 1.00 14.67 ? 55 ILE A CA 1 ATOM 381 C C . ILE A 1 55 ? 12.515 2.262 15.199 1.00 16.74 ? 55 ILE A C 1 ATOM 382 O O . ILE A 1 55 ? 13.472 2.563 14.441 1.00 19.39 ? 55 ILE A O 1 ATOM 383 C CB . ILE A 1 55 ? 10.323 3.550 14.869 1.00 15.55 ? 55 ILE A CB 1 ATOM 384 C CG1 . ILE A 1 55 ? 9.470 3.822 13.590 1.00 19.12 ? 55 ILE A CG1 1 ATOM 385 C CG2 . ILE A 1 55 ? 11.129 4.790 15.227 1.00 14.25 ? 55 ILE A CG2 1 ATOM 386 C CD1 . ILE A 1 55 ? 8.390 2.749 13.284 1.00 20.00 ? 55 ILE A CD1 1 ATOM 387 N N . ARG A 1 56 ? 12.786 2.050 16.475 1.00 18.22 ? 56 ARG A N 1 ATOM 388 C CA . ARG A 1 56 ? 14.159 2.139 17.014 1.00 17.75 ? 56 ARG A CA 1 ATOM 389 C C . ARG A 1 56 ? 15.040 1.101 16.337 1.00 15.90 ? 56 ARG A C 1 ATOM 390 O O . ARG A 1 56 ? 16.214 1.313 15.954 1.00 14.47 ? 56 ARG A O 1 ATOM 391 C CB . ARG A 1 56 ? 14.097 2.025 18.551 1.00 20.69 ? 56 ARG A CB 1 ATOM 392 C CG . ARG A 1 56 ? 15.215 2.534 19.378 1.00 24.83 ? 56 ARG A CG 1 ATOM 393 C CD . ARG A 1 56 ? 15.323 4.008 19.608 1.00 32.03 ? 56 ARG A CD 1 ATOM 394 N NE . ARG A 1 56 ? 14.348 4.413 20.610 1.00 37.10 ? 56 ARG A NE 1 ATOM 395 C CZ . ARG A 1 56 ? 14.235 3.869 21.826 1.00 40.72 ? 56 ARG A CZ 1 ATOM 396 N NH1 . ARG A 1 56 ? 15.136 3.072 22.390 1.00 42.55 ? 56 ARG A NH1 1 ATOM 397 N NH2 . ARG A 1 56 ? 13.010 3.904 22.424 1.00 41.10 ? 56 ARG A NH2 1 ATOM 398 N N . ALA A 1 57 ? 14.482 -0.097 16.135 1.00 16.58 ? 57 ALA A N 1 ATOM 399 C CA . ALA A 1 57 ? 15.266 -1.160 15.508 1.00 15.30 ? 57 ALA A CA 1 ATOM 400 C C . ALA A 1 57 ? 15.161 -1.195 14.005 1.00 17.16 ? 57 ALA A C 1 ATOM 401 O O . ALA A 1 57 ? 16.165 -1.603 13.378 1.00 20.28 ? 57 ALA A O 1 ATOM 402 C CB . ALA A 1 57 ? 14.933 -2.514 16.135 1.00 14.66 ? 57 ALA A CB 1 ATOM 403 N N . GLY A 1 58 ? 14.055 -0.879 13.372 1.00 17.28 ? 58 GLY A N 1 ATOM 404 C CA . GLY A 1 58 ? 13.870 -0.961 11.934 1.00 14.16 ? 58 GLY A CA 1 ATOM 405 C C . GLY A 1 58 ? 13.957 0.307 11.148 1.00 15.70 ? 58 GLY A C 1 ATOM 406 O O . GLY A 1 58 ? 13.983 0.155 9.901 1.00 19.26 ? 58 GLY A O 1 ATOM 407 N N . GLY A 1 59 ? 14.030 1.478 11.694 1.00 15.02 ? 59 GLY A N 1 ATOM 408 C CA . GLY A 1 59 ? 14.043 2.768 10.986 1.00 14.88 ? 59 GLY A CA 1 ATOM 409 C C . GLY A 1 59 ? 12.597 3.050 10.546 1.00 16.34 ? 59 GLY A C 1 ATOM 410 O O . GLY A 1 59 ? 11.678 2.262 10.899 1.00 17.16 ? 59 GLY A O 1 ATOM 411 N N . PHE A 1 60 ? 12.383 4.106 9.773 1.00 14.02 ? 60 PHE A N 1 ATOM 412 C CA . PHE A 1 60 ? 11.034 4.473 9.283 1.00 11.39 ? 60 PHE A CA 1 ATOM 413 C C . PHE A 1 60 ? 11.087 5.083 7.883 1.00 8.56 ? 60 PHE A C 1 ATOM 414 O O . PHE A 1 60 ? 12.074 5.669 7.441 1.00 7.69 ? 60 PHE A O 1 ATOM 415 C CB . PHE A 1 60 ? 10.327 5.476 10.247 1.00 9.54 ? 60 PHE A CB 1 ATOM 416 C CG . PHE A 1 60 ? 11.115 6.697 10.681 1.00 6.85 ? 60 PHE A CG 1 ATOM 417 C CD1 . PHE A 1 60 ? 12.275 6.586 11.454 1.00 2.00 ? 60 PHE A CD1 1 ATOM 418 C CD2 . PHE A 1 60 ? 10.680 7.971 10.328 1.00 5.17 ? 60 PHE A CD2 1 ATOM 419 C CE1 . PHE A 1 60 ? 12.991 7.680 11.875 1.00 2.85 ? 60 PHE A CE1 1 ATOM 420 C CE2 . PHE A 1 60 ? 11.389 9.082 10.740 1.00 7.37 ? 60 PHE A CE2 1 ATOM 421 C CZ . PHE A 1 60 ? 12.566 8.962 11.498 1.00 2.00 ? 60 PHE A CZ 1 ATOM 422 N N . ASP A 1 61 ? 9.946 5.096 7.257 1.00 10.85 ? 61 ASP A N 1 ATOM 423 C CA . ASP A 1 61 ? 9.689 5.631 5.944 1.00 15.03 ? 61 ASP A CA 1 ATOM 424 C C . ASP A 1 61 ? 8.898 6.934 5.884 1.00 12.12 ? 61 ASP A C 1 ATOM 425 O O . ASP A 1 61 ? 7.759 7.013 6.321 1.00 13.04 ? 61 ASP A O 1 ATOM 426 C CB . ASP A 1 61 ? 8.930 4.577 5.074 1.00 16.71 ? 61 ASP A CB 1 ATOM 427 C CG . ASP A 1 61 ? 9.819 3.397 4.712 1.00 22.10 ? 61 ASP A CG 1 ATOM 428 O OD1 . ASP A 1 61 ? 10.992 3.299 5.117 1.00 18.96 ? 61 ASP A OD1 1 ATOM 429 O OD2 . ASP A 1 61 ? 9.244 2.521 4.016 1.00 22.09 ? 61 ASP A OD2 1 ATOM 430 N N . LEU A 1 62 ? 9.477 7.886 5.192 1.00 12.30 ? 62 LEU A N 1 ATOM 431 C CA . LEU A 1 62 ? 8.776 9.161 4.905 1.00 17.17 ? 62 LEU A CA 1 ATOM 432 C C . LEU A 1 62 ? 8.984 9.420 3.390 1.00 17.79 ? 62 LEU A C 1 ATOM 433 O O . LEU A 1 62 ? 10.114 9.508 2.919 1.00 17.95 ? 62 LEU A O 1 ATOM 434 C CB . LEU A 1 62 ? 9.119 10.274 5.856 1.00 21.81 ? 62 LEU A CB 1 ATOM 435 C CG . LEU A 1 62 ? 8.402 10.499 7.182 1.00 25.84 ? 62 LEU A CG 1 ATOM 436 C CD1 . LEU A 1 62 ? 6.968 9.955 7.191 1.00 21.08 ? 62 LEU A CD1 1 ATOM 437 C CD2 . LEU A 1 62 ? 9.179 9.936 8.373 1.00 26.73 ? 62 LEU A CD2 1 ATOM 438 N N . ALA A 1 63 ? 7.885 9.458 2.654 1.00 18.43 ? 63 ALA A N 1 ATOM 439 C CA . ALA A 1 63 ? 7.824 9.730 1.235 1.00 20.01 ? 63 ALA A CA 1 ATOM 440 C C . ALA A 1 63 ? 8.971 9.091 0.471 1.00 21.23 ? 63 ALA A C 1 ATOM 441 O O . ALA A 1 63 ? 9.817 9.806 -0.118 1.00 24.01 ? 63 ALA A O 1 ATOM 442 C CB . ALA A 1 63 ? 7.814 11.264 1.035 1.00 16.28 ? 63 ALA A CB 1 ATOM 443 N N . GLY A 1 64 ? 9.068 7.765 0.502 1.00 21.59 ? 64 GLY A N 1 ATOM 444 C CA . GLY A 1 64 ? 10.140 7.092 -0.240 1.00 19.72 ? 64 GLY A CA 1 ATOM 445 C C . GLY A 1 64 ? 11.527 7.051 0.321 1.00 19.49 ? 64 GLY A C 1 ATOM 446 O O . GLY A 1 64 ? 12.402 6.336 -0.256 1.00 21.45 ? 64 GLY A O 1 ATOM 447 N N . VAL A 1 65 ? 11.826 7.756 1.413 1.00 13.89 ? 65 VAL A N 1 ATOM 448 C CA . VAL A 1 65 ? 13.155 7.642 1.980 1.00 12.49 ? 65 VAL A CA 1 ATOM 449 C C . VAL A 1 65 ? 13.094 6.823 3.262 1.00 13.26 ? 65 VAL A C 1 ATOM 450 O O . VAL A 1 65 ? 12.251 7.111 4.151 1.00 18.46 ? 65 VAL A O 1 ATOM 451 C CB . VAL A 1 65 ? 13.792 9.009 2.236 1.00 12.42 ? 65 VAL A CB 1 ATOM 452 C CG1 . VAL A 1 65 ? 15.228 8.828 2.672 1.00 7.45 ? 65 VAL A CG1 1 ATOM 453 C CG2 . VAL A 1 65 ? 13.594 9.983 1.113 1.00 12.02 ? 65 VAL A CG2 1 ATOM 454 N N . HIS A 1 66 ? 13.940 5.855 3.377 1.00 10.19 ? 66 HIS A N 1 ATOM 455 C CA . HIS A 1 66 ? 13.999 5.083 4.631 1.00 8.36 ? 66 HIS A CA 1 ATOM 456 C C . HIS A 1 66 ? 15.138 5.665 5.460 1.00 11.74 ? 66 HIS A C 1 ATOM 457 O O . HIS A 1 66 ? 16.352 5.653 5.142 1.00 12.67 ? 66 HIS A O 1 ATOM 458 C CB . HIS A 1 66 ? 14.173 3.609 4.441 1.00 10.10 ? 66 HIS A CB 1 ATOM 459 C CG . HIS A 1 66 ? 14.136 2.739 5.660 1.00 10.83 ? 66 HIS A CG 1 ATOM 460 N ND1 . HIS A 1 66 ? 13.032 1.996 6.034 1.00 14.34 ? 66 HIS A ND1 1 ATOM 461 C CD2 . HIS A 1 66 ? 15.123 2.467 6.567 1.00 11.73 ? 66 HIS A CD2 1 ATOM 462 C CE1 . HIS A 1 66 ? 13.305 1.329 7.135 1.00 10.01 ? 66 HIS A CE1 1 ATOM 463 N NE2 . HIS A 1 66 ? 14.544 1.610 7.456 1.00 12.84 ? 66 HIS A NE2 1 ATOM 464 N N . TYR A 1 67 ? 14.751 6.197 6.617 1.00 10.81 ? 67 TYR A N 1 ATOM 465 C CA . TYR A 1 67 ? 15.691 6.757 7.562 1.00 9.72 ? 67 TYR A CA 1 ATOM 466 C C . TYR A 1 67 ? 15.928 5.801 8.728 1.00 7.62 ? 67 TYR A C 1 ATOM 467 O O . TYR A 1 67 ? 15.083 4.985 9.059 1.00 8.91 ? 67 TYR A O 1 ATOM 468 C CB . TYR A 1 67 ? 15.070 8.038 8.164 1.00 9.46 ? 67 TYR A CB 1 ATOM 469 C CG . TYR A 1 67 ? 14.821 9.113 7.141 1.00 4.31 ? 67 TYR A CG 1 ATOM 470 C CD1 . TYR A 1 67 ? 13.612 9.135 6.464 1.00 8.58 ? 67 TYR A CD1 1 ATOM 471 C CD2 . TYR A 1 67 ? 15.746 10.141 6.973 1.00 6.70 ? 67 TYR A CD2 1 ATOM 472 C CE1 . TYR A 1 67 ? 13.326 10.144 5.535 1.00 9.69 ? 67 TYR A CE1 1 ATOM 473 C CE2 . TYR A 1 67 ? 15.486 11.134 6.034 1.00 11.24 ? 67 TYR A CE2 1 ATOM 474 C CZ . TYR A 1 67 ? 14.292 11.134 5.345 1.00 9.14 ? 67 TYR A CZ 1 ATOM 475 O OH . TYR A 1 67 ? 14.041 12.143 4.441 1.00 15.20 ? 67 TYR A OH 1 ATOM 476 N N . VAL A 1 68 ? 17.068 5.941 9.330 1.00 10.93 ? 68 VAL A N 1 ATOM 477 C CA . VAL A 1 68 ? 17.383 5.137 10.521 1.00 12.19 ? 68 VAL A CA 1 ATOM 478 C C . VAL A 1 68 ? 17.189 6.137 11.663 1.00 12.47 ? 68 VAL A C 1 ATOM 479 O O . VAL A 1 68 ? 17.520 7.301 11.463 1.00 10.12 ? 68 VAL A O 1 ATOM 480 C CB . VAL A 1 68 ? 18.727 4.410 10.515 1.00 16.28 ? 68 VAL A CB 1 ATOM 481 C CG1 . VAL A 1 68 ? 18.849 3.515 9.277 1.00 17.59 ? 68 VAL A CG1 1 ATOM 482 C CG2 . VAL A 1 68 ? 19.931 5.299 10.730 1.00 16.11 ? 68 VAL A CG2 1 ATOM 483 N N . THR A 1 69 ? 16.665 5.615 12.776 1.00 13.85 ? 69 THR A N 1 ATOM 484 C CA . THR A 1 69 ? 16.386 6.387 13.967 1.00 11.86 ? 69 THR A CA 1 ATOM 485 C C . THR A 1 69 ? 17.602 6.782 14.797 1.00 8.91 ? 69 THR A C 1 ATOM 486 O O . THR A 1 69 ? 18.296 5.912 15.330 1.00 8.47 ? 69 THR A O 1 ATOM 487 C CB . THR A 1 69 ? 15.375 5.621 14.922 1.00 12.44 ? 69 THR A CB 1 ATOM 488 O OG1 . THR A 1 69 ? 14.330 5.150 14.048 1.00 15.81 ? 69 THR A OG1 1 ATOM 489 C CG2 . THR A 1 69 ? 14.874 6.504 16.060 1.00 11.64 ? 69 THR A CG2 1 ATOM 490 N N . LEU A 1 70 ? 17.801 8.085 14.878 1.00 7.47 ? 70 LEU A N 1 ATOM 491 C CA . LEU A 1 70 ? 18.892 8.661 15.661 1.00 11.30 ? 70 LEU A CA 1 ATOM 492 C C . LEU A 1 70 ? 18.433 8.848 17.145 1.00 14.00 ? 70 LEU A C 1 ATOM 493 O O . LEU A 1 70 ? 19.194 8.497 18.040 1.00 15.64 ? 70 LEU A O 1 ATOM 494 C CB . LEU A 1 70 ? 19.299 9.964 15.043 1.00 11.36 ? 70 LEU A CB 1 ATOM 495 C CG . LEU A 1 70 ? 20.398 10.243 14.092 1.00 15.21 ? 70 LEU A CG 1 ATOM 496 C CD1 . LEU A 1 70 ? 20.227 11.704 13.599 1.00 13.99 ? 70 LEU A CD1 1 ATOM 497 C CD2 . LEU A 1 70 ? 21.744 10.085 14.784 1.00 14.98 ? 70 LEU A CD2 1 ATOM 498 N N . ARG A 1 71 ? 17.257 9.382 17.338 1.00 15.88 ? 71 ARG A N 1 ATOM 499 C CA . ARG A 1 71 ? 16.567 9.705 18.595 1.00 15.96 ? 71 ARG A CA 1 ATOM 500 C C . ARG A 1 71 ? 15.063 9.465 18.586 1.00 16.02 ? 71 ARG A C 1 ATOM 501 O O . ARG A 1 71 ? 14.356 9.838 17.610 1.00 20.46 ? 71 ARG A O 1 ATOM 502 C CB . ARG A 1 71 ? 16.975 11.166 18.901 1.00 14.64 ? 71 ARG A CB 1 ATOM 503 C CG . ARG A 1 71 ? 16.028 12.036 19.662 1.00 18.70 ? 71 ARG A CG 1 ATOM 504 C CD . ARG A 1 71 ? 16.614 13.276 20.245 1.00 19.04 ? 71 ARG A CD 1 ATOM 505 N NE . ARG A 1 71 ? 15.642 14.270 20.650 1.00 23.32 ? 71 ARG A NE 1 ATOM 506 C CZ . ARG A 1 71 ? 15.777 15.367 21.402 1.00 26.96 ? 71 ARG A CZ 1 ATOM 507 N NH1 . ARG A 1 71 ? 16.896 15.687 22.056 1.00 26.24 ? 71 ARG A NH1 1 ATOM 508 N NH2 . ARG A 1 71 ? 14.786 16.253 21.598 1.00 28.08 ? 71 ARG A NH2 1 ATOM 509 N N . ALA A 1 72 ? 14.432 8.832 19.580 1.00 13.99 ? 72 ALA A N 1 ATOM 510 C CA . ALA A 1 72 ? 13.002 8.554 19.718 1.00 12.63 ? 72 ALA A CA 1 ATOM 511 C C . ALA A 1 72 ? 12.549 8.563 21.214 1.00 12.63 ? 72 ALA A C 1 ATOM 512 O O . ALA A 1 72 ? 12.991 7.795 22.081 1.00 11.44 ? 72 ALA A O 1 ATOM 513 C CB . ALA A 1 72 ? 12.438 7.285 19.106 1.00 10.75 ? 72 ALA A CB 1 ATOM 514 N N . ASP A 1 73 ? 11.667 9.496 21.442 1.00 12.13 ? 73 ASP A N 1 ATOM 515 C CA . ASP A 1 73 ? 11.015 9.788 22.742 1.00 11.49 ? 73 ASP A CA 1 ATOM 516 C C . ASP A 1 73 ? 9.554 10.148 22.484 1.00 10.61 ? 73 ASP A C 1 ATOM 517 O O . ASP A 1 73 ? 9.045 9.892 21.367 1.00 12.19 ? 73 ASP A O 1 ATOM 518 C CB . ASP A 1 73 ? 11.822 10.727 23.578 1.00 8.34 ? 73 ASP A CB 1 ATOM 519 C CG . ASP A 1 73 ? 12.147 12.093 23.114 1.00 9.40 ? 73 ASP A CG 1 ATOM 520 O OD1 . ASP A 1 73 ? 11.258 12.881 22.771 1.00 9.56 ? 73 ASP A OD1 1 ATOM 521 O OD2 . ASP A 1 73 ? 13.312 12.530 23.173 1.00 17.65 ? 73 ASP A OD2 1 ATOM 522 N N . ASP A 1 74 ? 8.941 10.727 23.460 1.00 13.13 ? 74 ASP A N 1 ATOM 523 C CA . ASP A 1 74 ? 7.521 11.126 23.491 1.00 13.79 ? 74 ASP A CA 1 ATOM 524 C C . ASP A 1 74 ? 7.275 12.438 22.771 1.00 11.22 ? 74 ASP A C 1 ATOM 525 O O . ASP A 1 74 ? 6.143 12.720 22.371 1.00 9.16 ? 74 ASP A O 1 ATOM 526 C CB . ASP A 1 74 ? 7.014 11.183 24.953 1.00 20.39 ? 74 ASP A CB 1 ATOM 527 C CG . ASP A 1 74 ? 7.286 9.864 25.664 1.00 26.84 ? 74 ASP A CG 1 ATOM 528 O OD1 . ASP A 1 74 ? 6.899 8.804 25.106 1.00 29.44 ? 74 ASP A OD1 1 ATOM 529 O OD2 . ASP A 1 74 ? 7.917 9.883 26.725 1.00 31.42 ? 74 ASP A OD2 1 ATOM 530 N N . ARG A 1 75 ? 8.405 13.159 22.608 1.00 10.26 ? 75 ARG A N 1 ATOM 531 C CA . ARG A 1 75 ? 8.247 14.440 21.888 1.00 14.04 ? 75 ARG A CA 1 ATOM 532 C C . ARG A 1 75 ? 8.969 14.481 20.550 1.00 10.93 ? 75 ARG A C 1 ATOM 533 O O . ARG A 1 75 ? 8.440 15.063 19.596 1.00 9.96 ? 75 ARG A O 1 ATOM 534 C CB . ARG A 1 75 ? 8.627 15.642 22.774 1.00 14.69 ? 75 ARG A CB 1 ATOM 535 C CG . ARG A 1 75 ? 8.499 17.015 22.031 1.00 12.29 ? 75 ARG A CG 1 ATOM 536 C CD . ARG A 1 75 ? 9.572 17.891 22.496 1.00 7.87 ? 75 ARG A CD 1 ATOM 537 N NE . ARG A 1 75 ? 9.712 19.166 21.997 1.00 14.51 ? 75 ARG A NE 1 ATOM 538 C CZ . ARG A 1 75 ? 9.235 20.387 22.119 1.00 18.37 ? 75 ARG A CZ 1 ATOM 539 N NH1 . ARG A 1 75 ? 8.269 20.738 22.958 1.00 15.14 ? 75 ARG A NH1 1 ATOM 540 N NH2 . ARG A 1 75 ? 9.783 21.393 21.395 1.00 16.85 ? 75 ARG A NH2 1 ATOM 541 N N . SER A 1 76 ? 10.124 13.855 20.438 1.00 10.58 ? 76 SER A N 1 ATOM 542 C CA . SER A 1 76 ? 10.964 13.922 19.247 1.00 8.13 ? 76 SER A CA 1 ATOM 543 C C . SER A 1 76 ? 11.515 12.650 18.682 1.00 9.47 ? 76 SER A C 1 ATOM 544 O O . SER A 1 76 ? 12.248 12.008 19.453 1.00 9.58 ? 76 SER A O 1 ATOM 545 C CB . SER A 1 76 ? 12.245 14.690 19.715 1.00 4.35 ? 76 SER A CB 1 ATOM 546 O OG . SER A 1 76 ? 11.865 16.050 19.899 1.00 5.74 ? 76 SER A OG 1 ATOM 547 N N . ILE A 1 77 ? 11.294 12.451 17.391 1.00 10.14 ? 77 ILE A N 1 ATOM 548 C CA . ILE A 1 77 ? 11.870 11.353 16.624 1.00 11.84 ? 77 ILE A CA 1 ATOM 549 C C . ILE A 1 77 ? 12.729 11.948 15.467 1.00 12.17 ? 77 ILE A C 1 ATOM 550 O O . ILE A 1 77 ? 12.242 12.640 14.547 1.00 10.74 ? 77 ILE A O 1 ATOM 551 C CB . ILE A 1 77 ? 10.853 10.334 16.044 1.00 13.35 ? 77 ILE A CB 1 ATOM 552 C CG1 . ILE A 1 77 ? 10.241 9.461 17.185 1.00 10.90 ? 77 ILE A CG1 1 ATOM 553 C CG2 . ILE A 1 77 ? 11.571 9.382 14.968 1.00 11.75 ? 77 ILE A CG2 1 ATOM 554 C CD1 . ILE A 1 77 ? 8.899 8.781 16.708 1.00 10.23 ? 77 ILE A CD1 1 ATOM 555 N N . TYR A 1 78 ? 13.997 11.622 15.517 1.00 12.18 ? 78 TYR A N 1 ATOM 556 C CA . TYR A 1 78 ? 14.966 12.068 14.504 1.00 10.76 ? 78 TYR A CA 1 ATOM 557 C C . TYR A 1 78 ? 15.428 10.856 13.634 1.00 12.02 ? 78 TYR A C 1 ATOM 558 O O . TYR A 1 78 ? 15.759 9.759 14.108 1.00 9.22 ? 78 TYR A O 1 ATOM 559 C CB . TYR A 1 78 ? 16.133 12.789 15.149 1.00 8.98 ? 78 TYR A CB 1 ATOM 560 C CG . TYR A 1 78 ? 15.858 14.137 15.795 1.00 11.07 ? 78 TYR A CG 1 ATOM 561 C CD1 . TYR A 1 78 ? 14.593 14.700 15.963 1.00 10.96 ? 78 TYR A CD1 1 ATOM 562 C CD2 . TYR A 1 78 ? 16.943 14.785 16.397 1.00 10.10 ? 78 TYR A CD2 1 ATOM 563 C CE1 . TYR A 1 78 ? 14.417 15.892 16.665 1.00 11.36 ? 78 TYR A CE1 1 ATOM 564 C CE2 . TYR A 1 78 ? 16.799 15.962 17.101 1.00 13.41 ? 78 TYR A CE2 1 ATOM 565 C CZ . TYR A 1 78 ? 15.523 16.525 17.214 1.00 10.94 ? 78 TYR A CZ 1 ATOM 566 O OH . TYR A 1 78 ? 15.466 17.714 17.893 1.00 11.70 ? 78 TYR A OH 1 ATOM 567 N N . GLY A 1 79 ? 15.440 11.154 12.336 1.00 10.70 ? 79 GLY A N 1 ATOM 568 C CA . GLY A 1 79 ? 15.845 10.224 11.273 1.00 13.91 ? 79 GLY A CA 1 ATOM 569 C C . GLY A 1 79 ? 17.064 10.783 10.521 1.00 11.18 ? 79 GLY A C 1 ATOM 570 O O . GLY A 1 79 ? 17.205 12.030 10.384 1.00 9.78 ? 79 GLY A O 1 ATOM 571 N N . LYS A 1 80 ? 17.870 9.838 10.091 1.00 9.75 ? 80 LYS A N 1 ATOM 572 C CA . LYS A 1 80 ? 19.104 10.211 9.355 1.00 13.10 ? 80 LYS A CA 1 ATOM 573 C C . LYS A 1 80 ? 19.254 9.205 8.214 1.00 14.56 ? 80 LYS A C 1 ATOM 574 O O . LYS A 1 80 ? 19.006 8.009 8.398 1.00 15.79 ? 80 LYS A O 1 ATOM 575 C CB . LYS A 1 80 ? 20.383 10.220 10.166 1.00 13.04 ? 80 LYS A CB 1 ATOM 576 C CG . LYS A 1 80 ? 21.588 10.831 9.449 1.00 22.28 ? 80 LYS A CG 1 ATOM 577 C CD . LYS A 1 80 ? 22.933 10.423 10.088 1.00 26.17 ? 80 LYS A CD 1 ATOM 578 C CE . LYS A 1 80 ? 23.210 8.939 9.885 1.00 27.57 ? 80 LYS A CE 1 ATOM 579 N NZ . LYS A 1 80 ? 24.173 8.440 10.911 1.00 30.85 ? 80 LYS A NZ 1 ATOM 580 N N . LYS A 1 81 ? 19.560 9.765 7.094 1.00 18.26 ? 81 LYS A N 1 ATOM 581 C CA . LYS A 1 81 ? 19.832 9.040 5.810 1.00 23.99 ? 81 LYS A CA 1 ATOM 582 C C . LYS A 1 81 ? 21.049 9.831 5.258 1.00 24.77 ? 81 LYS A C 1 ATOM 583 O O . LYS A 1 81 ? 20.901 10.938 4.709 1.00 24.83 ? 81 LYS A O 1 ATOM 584 C CB . LYS A 1 81 ? 18.673 8.936 4.862 1.00 25.75 ? 81 LYS A CB 1 ATOM 585 C CG . LYS A 1 81 ? 18.818 7.965 3.677 1.00 29.52 ? 81 LYS A CG 1 ATOM 586 C CD . LYS A 1 81 ? 19.574 8.635 2.532 1.00 36.54 ? 81 LYS A CD 1 ATOM 587 C CE . LYS A 1 81 ? 19.546 7.867 1.226 1.00 39.55 ? 81 LYS A CE 1 ATOM 588 N NZ . LYS A 1 81 ? 18.181 7.882 0.608 1.00 39.62 ? 81 LYS A NZ 1 ATOM 589 N N . GLY A 1 82 ? 22.208 9.259 5.585 1.00 23.25 ? 82 GLY A N 1 ATOM 590 C CA . GLY A 1 82 ? 23.488 9.875 5.211 1.00 20.29 ? 82 GLY A CA 1 ATOM 591 C C . GLY A 1 82 ? 23.535 11.289 5.794 1.00 20.31 ? 82 GLY A C 1 ATOM 592 O O . GLY A 1 82 ? 23.364 11.520 6.991 1.00 22.44 ? 82 GLY A O 1 ATOM 593 N N . SER A 1 83 ? 23.764 12.241 4.927 1.00 20.37 ? 83 SER A N 1 ATOM 594 C CA . SER A 1 83 ? 23.905 13.649 5.242 1.00 20.54 ? 83 SER A CA 1 ATOM 595 C C . SER A 1 83 ? 22.549 14.358 5.248 1.00 16.73 ? 83 SER A C 1 ATOM 596 O O . SER A 1 83 ? 22.498 15.582 5.435 1.00 17.87 ? 83 SER A O 1 ATOM 597 C CB . SER A 1 83 ? 24.945 14.329 4.356 1.00 26.04 ? 83 SER A CB 1 ATOM 598 O OG . SER A 1 83 ? 26.252 14.168 4.980 1.00 34.89 ? 83 SER A OG 1 ATOM 599 N N . SER A 1 84 ? 21.558 13.526 5.055 1.00 10.56 ? 84 SER A N 1 ATOM 600 C CA . SER A 1 84 ? 20.177 13.953 5.095 1.00 14.03 ? 84 SER A CA 1 ATOM 601 C C . SER A 1 84 ? 19.495 13.412 6.362 1.00 10.62 ? 84 SER A C 1 ATOM 602 O O . SER A 1 84 ? 19.992 12.539 7.088 1.00 9.12 ? 84 SER A O 1 ATOM 603 C CB . SER A 1 84 ? 19.403 13.409 3.898 1.00 16.64 ? 84 SER A CB 1 ATOM 604 O OG . SER A 1 84 ? 19.786 14.142 2.778 1.00 28.48 ? 84 SER A OG 1 ATOM 605 N N . GLY A 1 85 ? 18.314 13.950 6.595 1.00 7.95 ? 85 GLY A N 1 ATOM 606 C CA . GLY A 1 85 ? 17.584 13.472 7.787 1.00 5.52 ? 85 GLY A CA 1 ATOM 607 C C . GLY A 1 85 ? 16.260 14.171 7.852 1.00 7.34 ? 85 GLY A C 1 ATOM 608 O O . GLY A 1 85 ? 15.968 14.997 6.967 1.00 7.73 ? 85 GLY A O 1 ATOM 609 N N . VAL A 1 86 ? 15.556 13.871 8.919 1.00 6.90 ? 86 VAL A N 1 ATOM 610 C CA . VAL A 1 86 ? 14.200 14.418 9.209 1.00 7.59 ? 86 VAL A CA 1 ATOM 611 C C . VAL A 1 86 ? 14.071 14.529 10.746 1.00 7.85 ? 86 VAL A C 1 ATOM 612 O O . VAL A 1 86 ? 14.547 13.728 11.526 1.00 4.81 ? 86 VAL A O 1 ATOM 613 C CB . VAL A 1 86 ? 13.128 13.466 8.657 1.00 5.98 ? 86 VAL A CB 1 ATOM 614 C CG1 . VAL A 1 86 ? 13.234 12.125 9.343 1.00 2.00 ? 86 VAL A CG1 1 ATOM 615 C CG2 . VAL A 1 86 ? 11.743 13.969 8.429 1.00 2.00 ? 86 VAL A CG2 1 ATOM 616 N N . ILE A 1 87 ? 13.409 15.642 11.061 1.00 9.49 ? 87 ILE A N 1 ATOM 617 C CA . ILE A 1 87 ? 13.131 16.018 12.446 1.00 5.30 ? 87 ILE A CA 1 ATOM 618 C C . ILE A 1 87 ? 11.588 16.037 12.592 1.00 9.08 ? 87 ILE A C 1 ATOM 619 O O . ILE A 1 87 ? 10.984 16.841 11.859 1.00 5.03 ? 87 ILE A O 1 ATOM 620 C CB . ILE A 1 87 ? 13.734 17.413 12.732 1.00 5.01 ? 87 ILE A CB 1 ATOM 621 C CG1 . ILE A 1 87 ? 15.252 17.299 12.536 1.00 2.00 ? 87 ILE A CG1 1 ATOM 622 C CG2 . ILE A 1 87 ? 13.393 18.005 14.139 1.00 2.72 ? 87 ILE A CG2 1 ATOM 623 C CD1 . ILE A 1 87 ? 15.767 18.751 12.402 1.00 13.89 ? 87 ILE A CD1 1 ATOM 624 N N . THR A 1 88 ? 11.120 15.120 13.478 1.00 8.22 ? 88 THR A N 1 ATOM 625 C CA . THR A 1 88 ? 9.656 15.070 13.761 1.00 8.05 ? 88 THR A CA 1 ATOM 626 C C . THR A 1 88 ? 9.505 15.440 15.243 1.00 6.13 ? 88 THR A C 1 ATOM 627 O O . THR A 1 88 ? 10.253 14.984 16.116 1.00 2.68 ? 88 THR A O 1 ATOM 628 C CB . THR A 1 88 ? 9.041 13.694 13.337 1.00 7.34 ? 88 THR A CB 1 ATOM 629 O OG1 . THR A 1 88 ? 9.694 12.675 14.142 1.00 9.24 ? 88 THR A OG1 1 ATOM 630 C CG2 . THR A 1 88 ? 9.361 13.406 11.844 1.00 8.40 ? 88 THR A CG2 1 ATOM 631 N N . VAL A 1 89 ? 8.568 16.332 15.417 1.00 7.05 ? 89 VAL A N 1 ATOM 632 C CA . VAL A 1 89 ? 8.244 16.832 16.780 1.00 5.47 ? 89 VAL A CA 1 ATOM 633 C C . VAL A 1 89 ? 6.738 16.746 16.973 1.00 4.82 ? 89 VAL A C 1 ATOM 634 O O . VAL A 1 89 ? 5.982 17.461 16.291 1.00 2.01 ? 89 VAL A O 1 ATOM 635 C CB . VAL A 1 89 ? 8.809 18.211 17.051 1.00 2.57 ? 89 VAL A CB 1 ATOM 636 C CG1 . VAL A 1 89 ? 8.498 18.679 18.492 1.00 5.09 ? 89 VAL A CG1 1 ATOM 637 C CG2 . VAL A 1 89 ? 10.321 18.195 16.814 1.00 4.70 ? 89 VAL A CG2 1 ATOM 638 N N . LYS A 1 90 ? 6.368 15.908 17.974 1.00 9.14 ? 90 LYS A N 1 ATOM 639 C CA . LYS A 1 90 ? 4.940 15.747 18.305 1.00 6.74 ? 90 LYS A CA 1 ATOM 640 C C . LYS A 1 90 ? 4.518 16.854 19.272 1.00 5.89 ? 90 LYS A C 1 ATOM 641 O O . LYS A 1 90 ? 5.279 17.078 20.223 1.00 9.46 ? 90 LYS A O 1 ATOM 642 C CB . LYS A 1 90 ? 4.560 14.402 18.854 1.00 5.88 ? 90 LYS A CB 1 ATOM 643 C CG . LYS A 1 90 ? 3.138 14.418 19.481 1.00 11.46 ? 90 LYS A CG 1 ATOM 644 C CD . LYS A 1 90 ? 3.086 13.267 20.485 1.00 12.33 ? 90 LYS A CD 1 ATOM 645 C CE . LYS A 1 90 ? 1.663 12.773 20.719 1.00 10.42 ? 90 LYS A CE 1 ATOM 646 N NZ . LYS A 1 90 ? 1.804 11.394 21.314 1.00 7.68 ? 90 LYS A NZ 1 ATOM 647 N N . THR A 1 91 ? 3.448 17.490 18.913 1.00 5.50 ? 91 THR A N 1 ATOM 648 C CA . THR A 1 91 ? 2.838 18.540 19.739 1.00 9.19 ? 91 THR A CA 1 ATOM 649 C C . THR A 1 91 ? 1.679 17.926 20.538 1.00 5.19 ? 91 THR A C 1 ATOM 650 O O . THR A 1 91 ? 1.520 16.692 20.578 1.00 7.43 ? 91 THR A O 1 ATOM 651 C CB . THR A 1 91 ? 2.503 19.805 18.910 1.00 8.27 ? 91 THR A CB 1 ATOM 652 O OG1 . THR A 1 91 ? 1.496 19.552 17.884 1.00 8.51 ? 91 THR A OG1 1 ATOM 653 C CG2 . THR A 1 91 ? 3.781 20.425 18.314 1.00 4.68 ? 91 THR A CG2 1 ATOM 654 N N . SER A 1 92 ? 0.810 18.736 21.043 1.00 8.69 ? 92 SER A N 1 ATOM 655 C CA . SER A 1 92 ? -0.383 18.255 21.785 1.00 6.49 ? 92 SER A CA 1 ATOM 656 C C . SER A 1 92 ? -1.353 17.547 20.890 1.00 6.07 ? 92 SER A C 1 ATOM 657 O O . SER A 1 92 ? -1.903 16.455 21.255 1.00 5.32 ? 92 SER A O 1 ATOM 658 C CB . SER A 1 92 ? -1.011 19.410 22.546 1.00 6.92 ? 92 SER A CB 1 ATOM 659 O OG . SER A 1 92 ? -2.015 20.017 21.738 1.00 13.54 ? 92 SER A OG 1 ATOM 660 N N . LYS A 1 93 ? -1.603 18.138 19.702 1.00 6.16 ? 93 LYS A N 1 ATOM 661 C CA . LYS A 1 93 ? -2.570 17.559 18.742 1.00 6.15 ? 93 LYS A CA 1 ATOM 662 C C . LYS A 1 93 ? -2.056 17.211 17.345 1.00 5.86 ? 93 LYS A C 1 ATOM 663 O O . LYS A 1 93 ? -2.872 16.765 16.506 1.00 7.10 ? 93 LYS A O 1 ATOM 664 C CB . LYS A 1 93 ? -3.702 18.612 18.514 1.00 4.28 ? 93 LYS A CB 1 ATOM 665 C CG . LYS A 1 93 ? -4.545 18.828 19.739 1.00 10.48 ? 93 LYS A CG 1 ATOM 666 C CD . LYS A 1 93 ? -5.215 20.213 19.708 1.00 10.79 ? 93 LYS A CD 1 ATOM 667 C CE . LYS A 1 93 ? -5.764 20.412 21.140 1.00 11.49 ? 93 LYS A CE 1 ATOM 668 N NZ . LYS A 1 93 ? -4.594 20.691 22.031 1.00 5.53 ? 93 LYS A NZ 1 ATOM 669 N N . ALA A 1 94 ? -0.790 17.461 17.061 1.00 7.03 ? 94 ALA A N 1 ATOM 670 C CA . ALA A 1 94 ? -0.229 17.306 15.714 1.00 8.73 ? 94 ALA A CA 1 ATOM 671 C C . ALA A 1 94 ? 1.219 16.873 15.751 1.00 7.95 ? 94 ALA A C 1 ATOM 672 O O . ALA A 1 94 ? 1.845 16.850 16.824 1.00 7.98 ? 94 ALA A O 1 ATOM 673 C CB . ALA A 1 94 ? -0.237 18.720 15.031 1.00 2.00 ? 94 ALA A CB 1 ATOM 674 N N . ILE A 1 95 ? 1.655 16.540 14.526 1.00 8.78 ? 95 ILE A N 1 ATOM 675 C CA . ILE A 1 95 ? 3.067 16.151 14.348 1.00 8.13 ? 95 ILE A CA 1 ATOM 676 C C . ILE A 1 95 ? 3.692 16.983 13.200 1.00 3.72 ? 95 ILE A C 1 ATOM 677 O O . ILE A 1 95 ? 3.120 16.999 12.131 1.00 2.00 ? 95 ILE A O 1 ATOM 678 C CB . ILE A 1 95 ? 3.307 14.649 14.042 1.00 6.56 ? 95 ILE A CB 1 ATOM 679 C CG1 . ILE A 1 95 ? 2.565 13.754 15.068 1.00 8.45 ? 95 ILE A CG1 1 ATOM 680 C CG2 . ILE A 1 95 ? 4.871 14.459 14.151 1.00 5.39 ? 95 ILE A CG2 1 ATOM 681 C CD1 . ILE A 1 95 ? 2.267 12.299 14.563 1.00 3.47 ? 95 ILE A CD1 1 ATOM 682 N N . LEU A 1 96 ? 4.808 17.568 13.553 1.00 3.25 ? 96 LEU A N 1 ATOM 683 C CA . LEU A 1 96 ? 5.616 18.375 12.642 1.00 7.30 ? 96 LEU A CA 1 ATOM 684 C C . LEU A 1 96 ? 6.711 17.464 12.037 1.00 7.68 ? 96 LEU A C 1 ATOM 685 O O . LEU A 1 96 ? 7.331 16.740 12.814 1.00 9.56 ? 96 LEU A O 1 ATOM 686 C CB . LEU A 1 96 ? 6.299 19.599 13.231 1.00 4.69 ? 96 LEU A CB 1 ATOM 687 C CG . LEU A 1 96 ? 5.533 20.614 13.980 1.00 6.51 ? 96 LEU A CG 1 ATOM 688 C CD1 . LEU A 1 96 ? 6.320 21.842 14.357 1.00 5.06 ? 96 LEU A CD1 1 ATOM 689 C CD2 . LEU A 1 96 ? 4.324 21.016 13.104 1.00 12.43 ? 96 LEU A CD2 1 ATOM 690 N N . VAL A 1 97 ? 6.815 17.587 10.702 1.00 10.92 ? 97 VAL A N 1 ATOM 691 C CA . VAL A 1 97 ? 7.866 16.860 9.957 1.00 9.83 ? 97 VAL A CA 1 ATOM 692 C C . VAL A 1 97 ? 8.693 17.881 9.137 1.00 7.21 ? 97 VAL A C 1 ATOM 693 O O . VAL A 1 97 ? 8.114 18.539 8.254 1.00 8.35 ? 97 VAL A O 1 ATOM 694 C CB . VAL A 1 97 ? 7.364 15.743 9.046 1.00 12.71 ? 97 VAL A CB 1 ATOM 695 C CG1 . VAL A 1 97 ? 8.634 14.993 8.529 1.00 15.38 ? 97 VAL A CG1 1 ATOM 696 C CG2 . VAL A 1 97 ? 6.375 14.769 9.633 1.00 9.30 ? 97 VAL A CG2 1 ATOM 697 N N . GLY A 1 98 ? 9.939 17.941 9.439 1.00 4.58 ? 98 GLY A N 1 ATOM 698 C CA . GLY A 1 98 ? 10.907 18.824 8.766 1.00 5.54 ? 98 GLY A CA 1 ATOM 699 C C . GLY A 1 98 ? 12.069 18.005 8.186 1.00 4.28 ? 98 GLY A C 1 ATOM 700 O O . GLY A 1 98 ? 13.036 17.638 8.894 1.00 2.01 ? 98 GLY A O 1 ATOM 701 N N . VAL A 1 99 ? 11.973 17.767 6.857 1.00 5.26 ? 99 VAL A N 1 ATOM 702 C CA . VAL A 1 99 ? 13.041 16.999 6.153 1.00 8.68 ? 99 VAL A CA 1 ATOM 703 C C . VAL A 1 99 ? 14.223 17.907 5.747 1.00 7.02 ? 99 VAL A C 1 ATOM 704 O O . VAL A 1 99 ? 13.956 19.045 5.276 1.00 7.25 ? 99 VAL A O 1 ATOM 705 C CB . VAL A 1 99 ? 12.437 16.319 4.911 1.00 9.51 ? 99 VAL A CB 1 ATOM 706 C CG1 . VAL A 1 99 ? 13.539 15.743 4.007 1.00 14.03 ? 99 VAL A CG1 1 ATOM 707 C CG2 . VAL A 1 99 ? 11.420 15.256 5.177 1.00 6.39 ? 99 VAL A CG2 1 ATOM 708 N N . TYR A 1 100 ? 15.481 17.508 5.906 1.00 6.90 ? 100 TYR A N 1 ATOM 709 C CA . TYR A 1 100 ? 16.585 18.400 5.448 1.00 11.12 ? 100 TYR A CA 1 ATOM 710 C C . TYR A 1 100 ? 17.554 17.650 4.519 1.00 14.92 ? 100 TYR A C 1 ATOM 711 O O . TYR A 1 100 ? 17.646 16.395 4.562 1.00 17.73 ? 100 TYR A O 1 ATOM 712 C CB . TYR A 1 100 ? 17.391 19.071 6.592 1.00 10.04 ? 100 TYR A CB 1 ATOM 713 C CG . TYR A 1 100 ? 18.057 18.068 7.506 1.00 9.85 ? 100 TYR A CG 1 ATOM 714 C CD1 . TYR A 1 100 ? 17.308 17.448 8.519 1.00 9.91 ? 100 TYR A CD1 1 ATOM 715 C CD2 . TYR A 1 100 ? 19.367 17.641 7.334 1.00 10.97 ? 100 TYR A CD2 1 ATOM 716 C CE1 . TYR A 1 100 ? 17.878 16.480 9.368 1.00 7.60 ? 100 TYR A CE1 1 ATOM 717 C CE2 . TYR A 1 100 ? 19.943 16.701 8.198 1.00 9.81 ? 100 TYR A CE2 1 ATOM 718 C CZ . TYR A 1 100 ? 19.197 16.107 9.202 1.00 6.12 ? 100 TYR A CZ 1 ATOM 719 O OH . TYR A 1 100 ? 19.722 15.155 10.054 1.00 3.13 ? 100 TYR A OH 1 ATOM 720 N N . ASN A 1 101 ? 18.322 18.403 3.708 1.00 16.73 ? 101 ASN A N 1 ATOM 721 C CA . ASN A 1 101 ? 19.317 17.783 2.797 1.00 18.76 ? 101 ASN A CA 1 ATOM 722 C C . ASN A 1 101 ? 20.734 18.134 3.281 1.00 21.82 ? 101 ASN A C 1 ATOM 723 O O . ASN A 1 101 ? 20.951 18.862 4.272 1.00 22.10 ? 101 ASN A O 1 ATOM 724 C CB . ASN A 1 101 ? 19.108 18.080 1.335 1.00 13.15 ? 101 ASN A CB 1 ATOM 725 C CG . ASN A 1 101 ? 19.313 19.507 0.923 1.00 16.82 ? 101 ASN A CG 1 ATOM 726 O OD1 . ASN A 1 101 ? 19.782 20.393 1.665 1.00 16.30 ? 101 ASN A OD1 1 ATOM 727 N ND2 . ASN A 1 101 ? 18.915 19.801 -0.337 1.00 15.75 ? 101 ASN A ND2 1 ATOM 728 N N . GLU A 1 102 ? 21.667 17.562 2.554 1.00 22.76 ? 102 GLU A N 1 ATOM 729 C CA . GLU A 1 102 ? 23.104 17.717 2.819 1.00 26.39 ? 102 GLU A CA 1 ATOM 730 C C . GLU A 1 102 ? 23.556 19.143 2.732 1.00 25.50 ? 102 GLU A C 1 ATOM 731 O O . GLU A 1 102 ? 24.703 19.491 3.090 1.00 27.96 ? 102 GLU A O 1 ATOM 732 C CB . GLU A 1 102 ? 23.919 16.891 1.806 1.00 28.80 ? 102 GLU A CB 1 ATOM 733 C CG . GLU A 1 102 ? 23.434 15.483 1.497 1.00 38.20 ? 102 GLU A CG 1 ATOM 734 C CD . GLU A 1 102 ? 22.118 15.224 0.839 1.00 46.00 ? 102 GLU A CD 1 ATOM 735 O OE1 . GLU A 1 102 ? 21.526 16.214 0.327 1.00 46.44 ? 102 GLU A OE1 1 ATOM 736 O OE2 . GLU A 1 102 ? 21.621 14.076 0.789 1.00 50.32 ? 102 GLU A OE2 1 ATOM 737 N N . LYS A 1 103 ? 22.704 20.029 2.267 1.00 27.54 ? 103 LYS A N 1 ATOM 738 C CA . LYS A 1 103 ? 23.084 21.465 2.139 1.00 28.69 ? 103 LYS A CA 1 ATOM 739 C C . LYS A 1 103 ? 22.646 22.243 3.371 1.00 27.34 ? 103 LYS A C 1 ATOM 740 O O . LYS A 1 103 ? 22.799 23.483 3.402 1.00 29.94 ? 103 LYS A O 1 ATOM 741 C CB . LYS A 1 103 ? 22.483 22.142 0.920 1.00 32.62 ? 103 LYS A CB 1 ATOM 742 C CG . LYS A 1 103 ? 23.251 22.265 -0.368 1.00 38.11 ? 103 LYS A CG 1 ATOM 743 C CD . LYS A 1 103 ? 23.235 21.063 -1.282 1.00 41.39 ? 103 LYS A CD 1 ATOM 744 C CE . LYS A 1 103 ? 21.903 20.807 -1.927 1.00 44.56 ? 103 LYS A CE 1 ATOM 745 N NZ . LYS A 1 103 ? 21.485 21.964 -2.772 1.00 46.15 ? 103 LYS A NZ 1 ATOM 746 N N . ILE A 1 104 ? 22.053 21.531 4.325 1.00 24.65 ? 104 ILE A N 1 ATOM 747 C CA . ILE A 1 104 ? 21.567 22.142 5.566 1.00 20.97 ? 104 ILE A CA 1 ATOM 748 C C . ILE A 1 104 ? 22.274 21.557 6.795 1.00 16.82 ? 104 ILE A C 1 ATOM 749 O O . ILE A 1 104 ? 22.608 20.396 6.898 1.00 15.87 ? 104 ILE A O 1 ATOM 750 C CB . ILE A 1 104 ? 20.000 22.012 5.719 1.00 21.18 ? 104 ILE A CB 1 ATOM 751 C CG1 . ILE A 1 104 ? 19.311 22.911 4.668 1.00 17.29 ? 104 ILE A CG1 1 ATOM 752 C CG2 . ILE A 1 104 ? 19.480 22.287 7.188 1.00 15.13 ? 104 ILE A CG2 1 ATOM 753 C CD1 . ILE A 1 104 ? 17.924 22.363 4.247 1.00 15.81 ? 104 ILE A CD1 1 ATOM 754 N N . GLN A 1 105 ? 22.507 22.468 7.690 1.00 18.71 ? 105 GLN A N 1 ATOM 755 C CA . GLN A 1 105 ? 23.102 22.171 9.009 1.00 20.34 ? 105 GLN A CA 1 ATOM 756 C C . GLN A 1 105 ? 21.959 21.484 9.767 1.00 20.80 ? 105 GLN A C 1 ATOM 757 O O . GLN A 1 105 ? 20.852 22.069 9.867 1.00 21.04 ? 105 GLN A O 1 ATOM 758 C CB . GLN A 1 105 ? 23.459 23.486 9.673 1.00 22.70 ? 105 GLN A CB 1 ATOM 759 C CG . GLN A 1 105 ? 24.414 24.337 8.891 1.00 24.86 ? 105 GLN A CG 1 ATOM 760 C CD . GLN A 1 105 ? 25.862 23.951 9.071 1.00 22.74 ? 105 GLN A CD 1 ATOM 761 O OE1 . GLN A 1 105 ? 26.247 22.999 9.745 1.00 20.81 ? 105 GLN A OE1 1 ATOM 762 N NE2 . GLN A 1 105 ? 26.650 24.799 8.407 1.00 22.74 ? 105 GLN A NE2 1 ATOM 763 N N . PRO A 1 106 ? 22.225 20.279 10.210 1.00 22.96 ? 106 PRO A N 1 ATOM 764 C CA . PRO A 1 106 ? 21.272 19.444 10.958 1.00 21.95 ? 106 PRO A CA 1 ATOM 765 C C . PRO A 1 106 ? 20.809 20.092 12.255 1.00 23.11 ? 106 PRO A C 1 ATOM 766 O O . PRO A 1 106 ? 19.628 20.010 12.630 1.00 23.67 ? 106 PRO A O 1 ATOM 767 C CB . PRO A 1 106 ? 22.007 18.157 11.245 1.00 22.17 ? 106 PRO A CB 1 ATOM 768 C CG . PRO A 1 106 ? 23.137 18.141 10.241 1.00 24.02 ? 106 PRO A CG 1 ATOM 769 C CD . PRO A 1 106 ? 23.536 19.602 10.038 1.00 22.19 ? 106 PRO A CD 1 ATOM 770 N N . GLY A 1 107 ? 21.747 20.700 12.951 1.00 23.13 ? 107 GLY A N 1 ATOM 771 C CA . GLY A 1 107 ? 21.605 21.431 14.186 1.00 19.07 ? 107 GLY A CA 1 ATOM 772 C C . GLY A 1 107 ? 20.549 22.528 13.958 1.00 17.36 ? 107 GLY A C 1 ATOM 773 O O . GLY A 1 107 ? 19.658 22.699 14.803 1.00 16.51 ? 107 GLY A O 1 ATOM 774 N N . THR A 1 108 ? 20.638 23.189 12.804 1.00 16.97 ? 108 THR A N 1 ATOM 775 C CA . THR A 1 108 ? 19.688 24.224 12.449 1.00 10.85 ? 108 THR A CA 1 ATOM 776 C C . THR A 1 108 ? 18.302 23.746 12.109 1.00 12.52 ? 108 THR A C 1 ATOM 777 O O . THR A 1 108 ? 17.300 24.350 12.561 1.00 16.73 ? 108 THR A O 1 ATOM 778 C CB . THR A 1 108 ? 20.208 25.195 11.345 1.00 8.60 ? 108 THR A CB 1 ATOM 779 O OG1 . THR A 1 108 ? 21.492 25.682 11.887 1.00 11.52 ? 108 THR A OG1 1 ATOM 780 C CG2 . THR A 1 108 ? 19.178 26.333 11.220 1.00 12.62 ? 108 THR A CG2 1 ATOM 781 N N . ALA A 1 109 ? 18.160 22.670 11.376 1.00 10.65 ? 109 ALA A N 1 ATOM 782 C CA . ALA A 1 109 ? 16.853 22.114 11.033 1.00 10.83 ? 109 ALA A CA 1 ATOM 783 C C . ALA A 1 109 ? 16.076 21.731 12.315 1.00 10.72 ? 109 ALA A C 1 ATOM 784 O O . ALA A 1 109 ? 14.900 21.959 12.368 1.00 6.26 ? 109 ALA A O 1 ATOM 785 C CB . ALA A 1 109 ? 17.092 20.836 10.169 1.00 12.00 ? 109 ALA A CB 1 ATOM 786 N N . ALA A 1 110 ? 16.777 21.095 13.278 1.00 9.69 ? 110 ALA A N 1 ATOM 787 C CA . ALA A 1 110 ? 16.238 20.614 14.544 1.00 7.88 ? 110 ALA A CA 1 ATOM 788 C C . ALA A 1 110 ? 15.751 21.788 15.396 1.00 7.92 ? 110 ALA A C 1 ATOM 789 O O . ALA A 1 110 ? 14.604 21.731 15.879 1.00 9.62 ? 110 ALA A O 1 ATOM 790 C CB . ALA A 1 110 ? 17.263 19.802 15.327 1.00 4.28 ? 110 ALA A CB 1 ATOM 791 N N . ASN A 1 111 ? 16.608 22.781 15.539 1.00 8.48 ? 111 ASN A N 1 ATOM 792 C CA . ASN A 1 111 ? 16.314 23.983 16.319 1.00 6.70 ? 111 ASN A CA 1 ATOM 793 C C . ASN A 1 111 ? 15.124 24.670 15.676 1.00 8.14 ? 111 ASN A C 1 ATOM 794 O O . ASN A 1 111 ? 14.265 25.150 16.437 1.00 11.90 ? 111 ASN A O 1 ATOM 795 C CB . ASN A 1 111 ? 17.501 24.897 16.602 1.00 10.26 ? 111 ASN A CB 1 ATOM 796 C CG . ASN A 1 111 ? 17.190 25.869 17.734 1.00 12.73 ? 111 ASN A CG 1 ATOM 797 O OD1 . ASN A 1 111 ? 16.664 25.426 18.770 1.00 18.37 ? 111 ASN A OD1 1 ATOM 798 N ND2 . ASN A 1 111 ? 17.447 27.153 17.613 1.00 14.45 ? 111 ASN A ND2 1 ATOM 799 N N . VAL A 1 112 ? 14.999 24.745 14.363 1.00 9.50 ? 112 VAL A N 1 ATOM 800 C CA . VAL A 1 112 ? 13.809 25.394 13.777 1.00 8.43 ? 112 VAL A CA 1 ATOM 801 C C . VAL A 1 112 ? 12.512 24.603 13.998 1.00 7.12 ? 112 VAL A C 1 ATOM 802 O O . VAL A 1 112 ? 11.484 25.267 14.292 1.00 6.58 ? 112 VAL A O 1 ATOM 803 C CB . VAL A 1 112 ? 14.064 25.786 12.311 1.00 7.90 ? 112 VAL A CB 1 ATOM 804 C CG1 . VAL A 1 112 ? 12.770 26.112 11.597 1.00 7.91 ? 112 VAL A CG1 1 ATOM 805 C CG2 . VAL A 1 112 ? 15.109 26.887 12.143 1.00 9.19 ? 112 VAL A CG2 1 ATOM 806 N N . VAL A 1 113 ? 12.444 23.303 13.808 1.00 4.86 ? 113 VAL A N 1 ATOM 807 C CA . VAL A 1 113 ? 11.225 22.497 13.970 1.00 5.05 ? 113 VAL A CA 1 ATOM 808 C C . VAL A 1 113 ? 10.776 22.468 15.455 1.00 2.51 ? 113 VAL A C 1 ATOM 809 O O . VAL A 1 113 ? 9.604 22.756 15.695 1.00 2.73 ? 113 VAL A O 1 ATOM 810 C CB . VAL A 1 113 ? 11.333 21.073 13.412 1.00 6.14 ? 113 VAL A CB 1 ATOM 811 C CG1 . VAL A 1 113 ? 9.990 20.342 13.415 1.00 4.65 ? 113 VAL A CG1 1 ATOM 812 C CG2 . VAL A 1 113 ? 11.975 21.016 12.025 1.00 10.67 ? 113 VAL A CG2 1 ATOM 813 N N . GLU A 1 114 ? 11.692 22.218 16.347 1.00 3.83 ? 114 GLU A N 1 ATOM 814 C CA . GLU A 1 114 ? 11.581 22.199 17.784 1.00 5.35 ? 114 GLU A CA 1 ATOM 815 C C . GLU A 1 114 ? 11.056 23.531 18.311 1.00 7.27 ? 114 GLU A C 1 ATOM 816 O O . GLU A 1 114 ? 10.103 23.578 19.116 1.00 7.32 ? 114 GLU A O 1 ATOM 817 C CB . GLU A 1 114 ? 12.894 21.858 18.477 1.00 8.61 ? 114 GLU A CB 1 ATOM 818 C CG . GLU A 1 114 ? 13.411 20.419 18.364 1.00 5.12 ? 114 GLU A CG 1 ATOM 819 C CD . GLU A 1 114 ? 12.686 19.343 19.066 1.00 12.05 ? 114 GLU A CD 1 ATOM 820 O OE1 . GLU A 1 114 ? 11.753 19.773 19.789 1.00 12.52 ? 114 GLU A OE1 1 ATOM 821 O OE2 . GLU A 1 114 ? 12.876 18.122 19.057 1.00 11.68 ? 114 GLU A OE2 1 ATOM 822 N N . LYS A 1 115 ? 11.519 24.657 17.803 1.00 6.38 ? 115 LYS A N 1 ATOM 823 C CA . LYS A 1 115 ? 11.012 25.970 18.199 1.00 6.27 ? 115 LYS A CA 1 ATOM 824 C C . LYS A 1 115 ? 9.617 26.235 17.656 1.00 6.78 ? 115 LYS A C 1 ATOM 825 O O . LYS A 1 115 ? 8.866 26.941 18.367 1.00 8.30 ? 115 LYS A O 1 ATOM 826 C CB . LYS A 1 115 ? 11.898 27.105 17.734 1.00 6.38 ? 115 LYS A CB 1 ATOM 827 C CG . LYS A 1 115 ? 12.898 27.536 18.748 1.00 6.59 ? 115 LYS A CG 1 ATOM 828 C CD . LYS A 1 115 ? 13.179 26.498 19.802 1.00 6.31 ? 115 LYS A CD 1 ATOM 829 C CE . LYS A 1 115 ? 14.070 27.203 20.843 1.00 9.44 ? 115 LYS A CE 1 ATOM 830 N NZ . LYS A 1 115 ? 14.744 26.226 21.735 1.00 12.55 ? 115 LYS A NZ 1 ATOM 831 N N . LEU A 1 116 ? 9.263 25.789 16.453 1.00 7.77 ? 116 LEU A N 1 ATOM 832 C CA . LEU A 1 116 ? 7.936 25.998 15.879 1.00 6.23 ? 116 LEU A CA 1 ATOM 833 C C . LEU A 1 116 ? 6.927 25.116 16.687 1.00 6.05 ? 116 LEU A C 1 ATOM 834 O O . LEU A 1 116 ? 5.766 25.460 16.702 1.00 8.53 ? 116 LEU A O 1 ATOM 835 C CB . LEU A 1 116 ? 7.797 25.571 14.407 1.00 4.06 ? 116 LEU A CB 1 ATOM 836 C CG . LEU A 1 116 ? 7.051 26.371 13.390 1.00 2.72 ? 116 LEU A CG 1 ATOM 837 C CD1 . LEU A 1 116 ? 6.230 25.584 12.368 1.00 2.73 ? 116 LEU A CD1 1 ATOM 838 C CD2 . LEU A 1 116 ? 6.216 27.459 13.977 1.00 5.27 ? 116 LEU A CD2 1 ATOM 839 N N . ALA A 1 117 ? 7.415 23.999 17.182 1.00 7.99 ? 117 ALA A N 1 ATOM 840 C CA . ALA A 1 117 ? 6.583 23.066 17.987 1.00 5.45 ? 117 ALA A CA 1 ATOM 841 C C . ALA A 1 117 ? 6.203 23.825 19.297 1.00 7.95 ? 117 ALA A C 1 ATOM 842 O O . ALA A 1 117 ? 5.002 23.863 19.580 1.00 8.83 ? 117 ALA A O 1 ATOM 843 C CB . ALA A 1 117 ? 7.272 21.810 18.252 1.00 2.00 ? 117 ALA A CB 1 ATOM 844 N N . ASP A 1 118 ? 7.209 24.363 19.958 1.00 7.90 ? 118 ASP A N 1 ATOM 845 C CA . ASP A 1 118 ? 7.070 25.160 21.158 1.00 10.74 ? 118 ASP A CA 1 ATOM 846 C C . ASP A 1 118 ? 6.062 26.286 20.949 1.00 13.46 ? 118 ASP A C 1 ATOM 847 O O . ASP A 1 118 ? 5.195 26.520 21.816 1.00 16.35 ? 118 ASP A O 1 ATOM 848 C CB . ASP A 1 118 ? 8.381 25.771 21.688 1.00 8.84 ? 118 ASP A CB 1 ATOM 849 C CG . ASP A 1 118 ? 9.226 24.743 22.424 1.00 11.67 ? 118 ASP A CG 1 ATOM 850 O OD1 . ASP A 1 118 ? 8.759 23.642 22.746 1.00 11.99 ? 118 ASP A OD1 1 ATOM 851 O OD2 . ASP A 1 118 ? 10.424 25.059 22.652 1.00 15.46 ? 118 ASP A OD2 1 ATOM 852 N N . TYR A 1 119 ? 6.190 26.995 19.836 1.00 12.62 ? 119 TYR A N 1 ATOM 853 C CA . TYR A 1 119 ? 5.242 28.105 19.559 1.00 9.65 ? 119 TYR A CA 1 ATOM 854 C C . TYR A 1 119 ? 3.838 27.589 19.322 1.00 10.95 ? 119 TYR A C 1 ATOM 855 O O . TYR A 1 119 ? 2.854 28.228 19.755 1.00 8.85 ? 119 TYR A O 1 ATOM 856 C CB . TYR A 1 119 ? 5.835 28.978 18.464 1.00 7.81 ? 119 TYR A CB 1 ATOM 857 C CG . TYR A 1 119 ? 4.927 29.965 17.806 1.00 5.42 ? 119 TYR A CG 1 ATOM 858 C CD1 . TYR A 1 119 ? 3.972 29.604 16.899 1.00 7.02 ? 119 TYR A CD1 1 ATOM 859 C CD2 . TYR A 1 119 ? 5.035 31.328 18.149 1.00 7.14 ? 119 TYR A CD2 1 ATOM 860 C CE1 . TYR A 1 119 ? 3.155 30.550 16.287 1.00 7.06 ? 119 TYR A CE1 1 ATOM 861 C CE2 . TYR A 1 119 ? 4.213 32.277 17.606 1.00 5.16 ? 119 TYR A CE2 1 ATOM 862 C CZ . TYR A 1 119 ? 3.278 31.875 16.677 1.00 8.21 ? 119 TYR A CZ 1 ATOM 863 O OH . TYR A 1 119 ? 2.412 32.802 16.107 1.00 17.81 ? 119 TYR A OH 1 ATOM 864 N N . LEU A 1 120 ? 3.713 26.441 18.657 1.00 10.21 ? 120 LEU A N 1 ATOM 865 C CA . LEU A 1 120 ? 2.433 25.862 18.330 1.00 11.53 ? 120 LEU A CA 1 ATOM 866 C C . LEU A 1 120 ? 1.699 25.277 19.559 1.00 9.44 ? 120 LEU A C 1 ATOM 867 O O . LEU A 1 120 ? 0.489 25.353 19.587 1.00 9.04 ? 120 LEU A O 1 ATOM 868 C CB . LEU A 1 120 ? 2.471 24.958 17.136 1.00 12.08 ? 120 LEU A CB 1 ATOM 869 C CG . LEU A 1 120 ? 2.712 25.533 15.732 1.00 12.01 ? 120 LEU A CG 1 ATOM 870 C CD1 . LEU A 1 120 ? 2.884 24.347 14.787 1.00 10.66 ? 120 LEU A CD1 1 ATOM 871 C CD2 . LEU A 1 120 ? 1.604 26.482 15.358 1.00 8.15 ? 120 LEU A CD2 1 ATOM 872 N N . ILE A 1 121 ? 2.431 24.682 20.444 1.00 9.13 ? 121 ILE A N 1 ATOM 873 C CA . ILE A 1 121 ? 1.862 24.157 21.729 1.00 11.74 ? 121 ILE A CA 1 ATOM 874 C C . ILE A 1 121 ? 1.203 25.325 22.484 1.00 11.87 ? 121 ILE A C 1 ATOM 875 O O . ILE A 1 121 ? -0.015 25.394 22.786 1.00 13.79 ? 121 ILE A O 1 ATOM 876 C CB . ILE A 1 121 ? 3.090 23.522 22.443 1.00 9.24 ? 121 ILE A CB 1 ATOM 877 C CG1 . ILE A 1 121 ? 3.257 22.073 21.876 1.00 12.23 ? 121 ILE A CG1 1 ATOM 878 C CG2 . ILE A 1 121 ? 2.965 23.531 23.971 1.00 14.89 ? 121 ILE A CG2 1 ATOM 879 C CD1 . ILE A 1 121 ? 4.353 21.270 22.562 1.00 10.53 ? 121 ILE A CD1 1 ATOM 880 N N . GLY A 1 122 ? 1.976 26.350 22.730 1.00 11.83 ? 122 GLY A N 1 ATOM 881 C CA . GLY A 1 122 ? 1.605 27.615 23.313 1.00 13.05 ? 122 GLY A CA 1 ATOM 882 C C . GLY A 1 122 ? 0.360 28.181 22.643 1.00 12.79 ? 122 GLY A C 1 ATOM 883 O O . GLY A 1 122 ? -0.362 29.000 23.223 1.00 14.73 ? 122 GLY A O 1 ATOM 884 N N . GLN A 1 123 ? -0.014 27.808 21.461 1.00 14.57 ? 123 GLN A N 1 ATOM 885 C CA . GLN A 1 123 ? -1.217 28.333 20.797 1.00 13.33 ? 123 GLN A CA 1 ATOM 886 C C . GLN A 1 123 ? -2.360 27.358 21.102 1.00 11.64 ? 123 GLN A C 1 ATOM 887 O O . GLN A 1 123 ? -3.475 27.732 20.747 1.00 14.89 ? 123 GLN A O 1 ATOM 888 C CB . GLN A 1 123 ? -1.158 28.364 19.269 1.00 17.01 ? 123 GLN A CB 1 ATOM 889 C CG . GLN A 1 123 ? -0.005 29.044 18.570 1.00 21.07 ? 123 GLN A CG 1 ATOM 890 C CD . GLN A 1 123 ? -0.369 30.474 18.293 1.00 24.63 ? 123 GLN A CD 1 ATOM 891 O OE1 . GLN A 1 123 ? -0.975 30.793 17.254 1.00 31.07 ? 123 GLN A OE1 1 ATOM 892 N NE2 . GLN A 1 123 ? -0.057 31.281 19.294 1.00 26.45 ? 123 GLN A NE2 1 ATOM 893 N N . GLY A 1 124 ? -2.041 26.198 21.635 1.00 9.14 ? 124 GLY A N 1 ATOM 894 C CA . GLY A 1 124 ? -3.178 25.246 21.841 1.00 8.31 ? 124 GLY A CA 1 ATOM 895 C C . GLY A 1 124 ? -3.177 24.104 20.828 1.00 8.39 ? 124 GLY A C 1 ATOM 896 O O . GLY A 1 124 ? -4.188 23.360 20.769 1.00 9.24 ? 124 GLY A O 1 ATOM 897 N N . PHE A 1 125 ? -2.091 23.968 20.076 1.00 7.36 ? 125 PHE A N 1 ATOM 898 C CA . PHE A 1 125 ? -1.966 22.940 19.025 1.00 7.64 ? 125 PHE A CA 1 ATOM 899 C C . PHE A 1 125 ? -1.025 21.836 19.462 1.00 4.72 ? 125 PHE A C 1 ATOM 900 O O . PHE A 1 125 ? -1.112 20.849 18.701 1.00 12.28 ? 125 PHE A O 1 ATOM 901 C CB . PHE A 1 125 ? -1.496 23.540 17.684 1.00 8.02 ? 125 PHE A CB 1 ATOM 902 C CG . PHE A 1 125 ? -2.453 24.610 17.207 1.00 7.44 ? 125 PHE A CG 1 ATOM 903 C CD1 . PHE A 1 125 ? -3.798 24.341 17.073 1.00 7.06 ? 125 PHE A CD1 1 ATOM 904 C CD2 . PHE A 1 125 ? -1.956 25.903 16.949 1.00 12.23 ? 125 PHE A CD2 1 ATOM 905 C CE1 . PHE A 1 125 ? -4.653 25.356 16.671 1.00 5.18 ? 125 PHE A CE1 1 ATOM 906 C CE2 . PHE A 1 125 ? -2.785 26.938 16.509 1.00 6.47 ? 125 PHE A CE2 1 ATOM 907 C CZ . PHE A 1 125 ? -4.150 26.656 16.368 1.00 8.69 ? 125 PHE A CZ 1 ATOM 908 O OXT . PHE A 1 125 ? -0.331 21.870 20.472 1.00 4.94 ? 125 PHE A OXT 1 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 1994-08-31 2 'Structure model' 1 1 2008-03-24 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-11-29 5 'Structure model' 1 4 2019-07-17 6 'Structure model' 1 5 2019-08-14 #