User input for job 604135
Modeling method RoseTTAFold only
TGAISNLIPKLGELLTEEFKLHKGVKKNIEDLGKELESMNAALIKIGEVPREQLDSQDKLWADEVRELSYVIEDVVDKFLVQVDGIKSDDNNNKFKGLMKRTTELAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAPHPTRTIAIDPCLRALYAEATELVGIYGKRDQGLMRLLSMEGDDASNKRLKKVSIVGFGGLGKTTLARAVYEKIKGDFDCRAFVPVGQNPDMKKVLRDILIDLGNPHSDLAMLDANQLIKKLHEFLENKRYLVIIDDIWDEKLWEGINFAFSNRNNLGSRLITTTRIVSVSNSCCSSDGDSVYQMEPLSVDDSRMLFYKRIFPDENACINEFEQVSRDILKKCGGVPLAIITIASALAGDQKMKPKCEWDILLRSLGSGLTEDNSLEEMRRILSFSYSNLPSNLKTCLLYLCVYPEDSMISRDKLIWKWVAEGFVHHENQGNSLYLLGLNYFNQLINRSMIQPIYNYSGEAYACRVHDMVLDLICNLSNEAKFVNLLDGTGNSMSSQSNCRRLSLQKRNEDHQARPFTDIKSMSRVRSITIFPSAIEVMPSLSRFDVLRVLDLSRCNLGENSSMQLNLKGVGHLTHLRYLGLEGTNISKLPAEIGKLQFLEVLDLENNHNLKELPSTVCNFRRLIYLNLVGCQVVPPVGVLQNLTSIEVLSGILVSLNIIAQELGNLKRLRELNILFNDGSLDLYEGFVKSLCNLHHIESLIIGCNSRETSSFELMDLLGERWVPPVHFREFVSSMPSQLSALRGWIKRDPSHLSNLSELILTSVKEVQQDDVVIIGALSSLRRLCIKSTYQTQRLLVIPADGFRCIVGFHLDCGSATQILFEPGALPRAESVVISLGVRVAKEDGNRGFDLGLQGNLLSLRRDVFVSIYCGGARVGEAKEAEAAVRRALDAHPSHPPIYFEMRPHIAKGAHDDDLCEERRR
Forced secondary structure in fragment libraries
# INVALID # data_8OXI # # INVALID # _entry.id 8OXI # # INVALID # _audit_conform.dict_name mmcif_pdbx.dic # INVALID # _audit_conform.dict_version 5.376 # INVALID # _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # # INVALID # loop_ 2 G E 0.000 0.000 1.000 # INVALID # _database_2.database_code # INVALID # _database_2.pdbx_database_accession # INVALID # _database_2.pdbx_DOI # INVALID # PDB 8OXI pdb_00008oxi 10.2210/pdb8oxi/pdb # INVALID # WWPDB D_1292130236 ? ? # # INVALID # _pdbx_database_status.status_code REL # INVALID # _pdbx_database_status.status_code_sf REL # INVALID # _pdbx_database_status.status_code_mr ? # INVALID # _pdbx_database_status.entry_id 8OXI # INVALID # _pdbx_database_status.recvd_initial_deposition_date 2023-05-02 # INVALID # _pdbx_database_status.SG_entry N # INVALID # _pdbx_database_status.deposit_site PDBE # INVALID # _pdbx_database_status.process_site PDBE # INVALID # _pdbx_database_status.status_code_cs ? # INVALID # _pdbx_database_status.status_code_nmr_data ? # INVALID # _pdbx_database_status.methods_development_category ? # INVALID # _pdbx_database_status.pdb_format_compatible Y # # INVALID # loop_ # INVALID # _audit_author.name # INVALID # _audit_author.pdbx_ordinal # INVALID # _audit_author.identifier_ORCID # INVALID # 'Cao, Y.' 1 ? # INVALID # 'Gebauer, J.M.' 2 ? # INVALID # 'Baumann, U.' 3 ? # INVALID # 'Chai, J.J.' 4 ? # # INVALID # _citation.abstract ? # INVALID # _citation.abstract_id_CAS ? # INVALID # _citation.book_id_ISBN ? # INVALID # _citation.book_publisher ? # INVALID # _citation.book_publisher_city ? # INVALID # _citation.book_title ? # INVALID # _citation.coordinate_linkage ? # INVALID # _citation.country US # INVALID # _citation.database_id_Medline ? # INVALID # _citation.details ? # INVALID # _citation.id primary # INVALID # _citation.journal_abbrev Proc.Natl.Acad.Sci.USA # INVALID # _citation.journal_id_ASTM PNASA6 # INVALID # _citation.journal_id_CSD 0040 # INVALID # _citation.journal_id_ISSN 1091-6490 # INVALID # _citation.journal_full ? # INVALID # _citation.journal_issue ? # INVALID # _citation.journal_volume 120 # INVALID # _citation.language ? # INVALID # _citation.page_first e2307604120 # INVALID # _citation.page_last e2307604120 # INVALID # _citation.title # INVALID # 'Structural polymorphisms within a common powdery mildew effector scaffold as a driver of coevolution with cereal immune receptors.' # INVALID # _citation.year 2023 # INVALID # _citation.database_id_CSD ? # INVALID # _citation.pdbx_database_id_DOI 10.1073/pnas.2307604120 # INVALID # _citation.pdbx_database_id_PubMed 37523523 # INVALID # _citation.pdbx_database_id_patent ? # INVALID # _citation.unpublished_flag ? # # INVALID # loop_ # INVALID # _citation_author.citation_id # INVALID # _citation_author.name # INVALID # _citation_author.ordinal # INVALID # _citation_author.identifier_ORCID # INVALID # primary 'Cao, Y.' 1 0000-0003-2263-4234 # INVALID # primary 'Kummel, F.' 2 0009-0006-2169-0890 # INVALID # primary 'Logemann, E.' 3 0000-0002-0478-8072 # INVALID # primary 'Gebauer, J.M.' 4 0000-0002-3989-4748 # INVALID # primary 'Lawson, A.W.' 5 0000-0001-8164-2555 # INVALID # primary 'Yu, D.' 6 ? # INVALID # primary 'Uthoff, M.' 7 0000-0002-6477-5505 # INVALID # primary 'Keller, B.' 8 0000-0003-2379-9225 # INVALID # primary 'Jirschitzka, J.' 9 0000-0003-1007-4700 # INVALID # primary 'Baumann, U.' 10 0000-0003-0383-0168 # INVALID # primary 'Tsuda, K.' 11 0000-0001-7074-0731 # INVALID # primary 'Chai, J.' 12 ? # INVALID # primary 'Schulze-Lefert, P.' 13 0000-0002-8978-1717 # # INVALID # _cell.angle_alpha 90.000 # INVALID # _cell.angle_alpha_esd ? # INVALID # _cell.angle_beta 90.000 # INVALID # _cell.angle_beta_esd ? # INVALID # _cell.angle_gamma 90.000 # INVALID # _cell.angle_gamma_esd ? # INVALID # _cell.entry_id 8OXI # INVALID # _cell.details ? # INVALID # _cell.formula_units_Z ? # INVALID # _cell.length_a 50.405 # INVALID # _cell.length_a_esd ? # INVALID # _cell.length_b 53.864 # INVALID # _cell.length_b_esd ? # INVALID # _cell.length_c 61.813 # INVALID # _cell.length_c_esd ? # INVALID # _cell.volume 167823.217 # INVALID # _cell.volume_esd ? # INVALID # _cell.Z_PDB 8 # INVALID # _cell.reciprocal_angle_alpha ? # INVALID # _cell.reciprocal_angle_beta ? # INVALID # _cell.reciprocal_angle_gamma ? # INVALID # _cell.reciprocal_angle_alpha_esd ? # INVALID # _cell.reciprocal_angle_beta_esd ? # INVALID # _cell.reciprocal_angle_gamma_esd ? # INVALID # _cell.reciprocal_length_a ? # INVALID # _cell.reciprocal_length_b ? # INVALID # _cell.reciprocal_length_c ? # INVALID # _cell.reciprocal_length_a_esd ? # INVALID # _cell.reciprocal_length_b_esd ? # INVALID # _cell.reciprocal_length_c_esd ? # INVALID # _cell.pdbx_unique_axis ? # INVALID # _cell.pdbx_esd_method ? # # INVALID # _symmetry.entry_id 8OXI # INVALID # _symmetry.cell_setting ? # INVALID # _symmetry.Int_Tables_number 20 # INVALID # _symmetry.space_group_name_Hall 'C 2c 2' # INVALID # _symmetry.space_group_name_H-M 'C 2 2 21' # INVALID # _symmetry.pdbx_full_space_group_name_H-M ? # # INVALID # loop_ # INVALID # _entity.id # INVALID # _entity.type # INVALID # _entity.src_method # INVALID # _entity.pdbx_description # INVALID # _entity.formula_weight # INVALID # _entity.pdbx_number_of_molecules # INVALID # _entity.pdbx_ec # INVALID # _entity.pdbx_mutation # INVALID # _entity.pdbx_fragment # INVALID # _entity.details 1 T E 0.000 0.000 1.000 # INVALID # 2 water nat water 18.015 88 ? ? ? ? # # INVALID # _entity_poly.entity_id 1 # INVALID # _entity_poly.type 'polypeptide(L)' # INVALID # _entity_poly.nstd_linkage no # INVALID # _entity_poly.nstd_monomer no # INVALID # _entity_poly.pdbx_seq_one_letter_code # INVALID # ;GPLGSMESYWDCKGIPILFRTVHAAVELAFTSQPGSISGYPSICRTTPLRTGPDERRQFPLTDTGARWQGGGITYYVEAT # INVALID # RDKRHCEVFGTAGGVYKCTLVLRD # INVALID # ; # INVALID # _entity_poly.pdbx_seq_one_letter_code_can # INVALID # ;GPLGSMESYWDCKGIPILFRTVHAAVELAFTSQPGSISGYPSICRTTPLRTGPDERRQFPLTDTGARWQGGGITYYVEAT # INVALID # RDKRHCEVFGTAGGVYKCTLVLRD # INVALID # ; # INVALID # _entity_poly.pdbx_strand_id A # INVALID # _entity_poly.pdbx_target_identifier ? # # INVALID # loop_ # INVALID # _entity_poly_seq.entity_id # INVALID # _entity_poly_seq.num # INVALID # _entity_poly_seq.mon_id # INVALID # _entity_poly_seq.hetero # INVALID # 1 1 GLY n # INVALID # 1 2 PRO n 3 A E 0.000 0.000 1.000 # INVALID # 1 4 GLY n 5 S E 0.000 0.000 1.000 6 N E 0.000 0.000 1.000 # INVALID # 1 7 GLU n 8 I E 0.000 0.000 1.000 # INVALID # 1 9 TYR n # INVALID # 1 10 TRP n 11 L E 0.000 0.000 1.000 12 G C 1.000 0.000 0.000 13 E E 0.000 0.000 1.000 # INVALID # 1 14 GLY n 15 L E 0.000 0.000 1.000 # INVALID # 1 16 PRO n 17 E E 0.000 0.000 1.000 18 E E 0.000 0.000 1.000 19 F H 0.000 1.000 0.000 # INVALID # 1 20 ARG n 21 L H 0.000 1.000 0.000 # INVALID # 1 22 VAL n 23 K H 0.000 1.000 0.000 # INVALID # 1 24 ALA n # INVALID # 1 25 ALA n # INVALID # 1 26 VAL n # INVALID # 1 27 GLU n 28 N E 0.000 0.000 1.000 # INVALID # 1 29 ALA n 30 E H 0.000 1.000 0.000 31 D H 0.000 1.000 0.000 32 L E 0.000 0.000 1.000 # INVALID # 1 33 GLN n # INVALID # 1 34 PRO n # INVALID # 1 35 GLY n 36 L E 0.000 0.000 1.000 37 E E 0.000 0.000 1.000 38 S E 0.000 0.000 1.000 # INVALID # 1 39 GLY n # INVALID # 1 40 TYR n # INVALID # 1 41 PRO n 42 A E 0.000 0.000 1.000 43 L E 0.000 0.000 1.000 44 I C 1.000 0.000 0.000 # INVALID # 1 45 ARG n 46 I H 0.000 1.000 0.000 47 G H 0.000 1.000 0.000 # INVALID # 1 48 PRO n 49 V E 0.000 0.000 1.000 # INVALID # 1 50 ARG n 51 R H 0.000 1.000 0.000 # INVALID # 1 52 GLY n # INVALID # 1 53 PRO n 54 L E 0.000 0.000 1.000 # INVALID # 1 55 GLU n # INVALID # 1 56 ARG n # INVALID # 1 57 ARG n # INVALID # 1 58 GLN n 59 K H 0.000 1.000 0.000 # INVALID # 1 60 PRO n 61 W E 0.000 0.000 1.000 62 A H 0.000 1.000 0.000 63 D E 0.000 0.000 1.000 64 E H 0.000 1.000 0.000 # INVALID # 1 65 GLY n # INVALID # 1 66 ALA n # INVALID # 1 67 ARG n # INVALID # 1 68 TRP n # INVALID # 1 69 GLN n # INVALID # 1 70 GLY n # INVALID # 1 71 GLY n # INVALID # 1 72 GLY n 73 E E 0.000 0.000 1.000 74 D H 0.000 1.000 0.000 # INVALID # 1 75 TYR n # INVALID # 1 76 TYR n # INVALID # 1 77 VAL n # INVALID # 1 78 GLU n # INVALID # 1 79 ALA n 80 L H 0.000 1.000 0.000 # INVALID # 1 81 ARG n 82 Q E 0.000 0.000 1.000 83 V E 0.000 0.000 1.000 # INVALID # 1 84 ARG n 85 G H 0.000 1.000 0.000 86 I C 1.000 0.000 0.000 # INVALID # 1 87 GLU n # INVALID # 1 88 VAL n 89 D H 0.000 1.000 0.000 # INVALID # 1 90 GLY n 91 N H 0.000 1.000 0.000 # INVALID # 1 92 ALA n # INVALID # 1 93 GLY n # INVALID # 1 94 GLY n # INVALID # 1 95 VAL n # INVALID # 1 96 TYR n 97 G E 0.000 0.000 1.000 98 L C 1.000 0.000 0.000 99 M H 0.000 1.000 0.000 100 K E 0.000 0.000 1.000 # INVALID # 1 101 VAL n 102 T E 0.000 0.000 1.000 # INVALID # 1 103 ARG n 104 E E 0.000 0.000 1.000 # # INVALID # _entity_src_gen.entity_id 1 # INVALID # _entity_src_gen.pdbx_src_id 1 # INVALID # _entity_src_gen.pdbx_alt_source_flag sample # INVALID # _entity_src_gen.pdbx_seq_type 'Biological sequence' # INVALID # _entity_src_gen.pdbx_beg_seq_num 1 # INVALID # _entity_src_gen.pdbx_end_seq_num 104 # INVALID # _entity_src_gen.gene_src_common_name ? # INVALID # _entity_src_gen.gene_src_genus ? # INVALID # _entity_src_gen.pdbx_gene_src_gene 'AvrPm2, BgtE-5845' # INVALID # _entity_src_gen.gene_src_species ? # INVALID # _entity_src_gen.gene_src_strain ? # INVALID # _entity_src_gen.gene_src_tissue ? # INVALID # _entity_src_gen.gene_src_tissue_fraction ? # INVALID # _entity_src_gen.gene_src_details ? # INVALID # _entity_src_gen.pdbx_gene_src_fragment ? # INVALID # _entity_src_gen.pdbx_gene_src_scientific_name 'Blumeria graminis f. sp. tritici' # INVALID # _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 62690 # INVALID # _entity_src_gen.pdbx_gene_src_variant ? # INVALID # _entity_src_gen.pdbx_gene_src_cell_line ? # INVALID # _entity_src_gen.pdbx_gene_src_atcc ? # INVALID # _entity_src_gen.pdbx_gene_src_organ ? # INVALID # _entity_src_gen.pdbx_gene_src_organelle ? # INVALID # _entity_src_gen.pdbx_gene_src_cell ? # INVALID # _entity_src_gen.pdbx_gene_src_cellular_location ? # INVALID # _entity_src_gen.host_org_common_name ? # INVALID # _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli K-12' # INVALID # _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 83333 # INVALID # _entity_src_gen.host_org_genus ? # INVALID # _entity_src_gen.pdbx_host_org_gene ? # INVALID # _entity_src_gen.pdbx_host_org_organ ? # INVALID # _entity_src_gen.host_org_species ? # INVALID # _entity_src_gen.pdbx_host_org_tissue ? # INVALID # _entity_src_gen.pdbx_host_org_tissue_fraction ? # INVALID # _entity_src_gen.pdbx_host_org_strain ? # INVALID # _entity_src_gen.pdbx_host_org_variant ? # INVALID # _entity_src_gen.pdbx_host_org_cell_line ? # INVALID # _entity_src_gen.pdbx_host_org_atcc ? # INVALID # _entity_src_gen.pdbx_host_org_culture_collection ? # INVALID # _entity_src_gen.pdbx_host_org_cell ? # INVALID # _entity_src_gen.pdbx_host_org_organelle ? # INVALID # _entity_src_gen.pdbx_host_org_cellular_location ? # INVALID # _entity_src_gen.pdbx_host_org_vector_type ? # INVALID # _entity_src_gen.pdbx_host_org_vector ? # INVALID # _entity_src_gen.host_org_details ? # INVALID # _entity_src_gen.expression_system_id ? # INVALID # _entity_src_gen.plasmid_name ? # INVALID # _entity_src_gen.plasmid_details ? # INVALID # _entity_src_gen.pdbx_description ? # # INVALID # _struct_ref.id 1 # INVALID # _struct_ref.db_name UNP # INVALID # _struct_ref.db_code A0A1L5JEG4_BLUGR # INVALID # _struct_ref.pdbx_db_accession A0A1L5JEG4 # INVALID # _struct_ref.pdbx_db_isoform ? # INVALID # _struct_ref.entity_id 1 # INVALID # _struct_ref.pdbx_seq_one_letter_code # INVALID # ;ESYWDCKGIPILFRTVHAAVELAFTSQPGSISGYPSICRTTPLRTGPDERRQFPLTDTGARWQGGGITYYVEATRDKRHC # INVALID # EVFGTAGGVYKCTLVLRD # INVALID # ; # INVALID # _struct_ref.pdbx_align_begin 22 # # INVALID # _struct_ref_seq.align_id 1 # INVALID # _struct_ref_seq.ref_id 1 # INVALID # _struct_ref_seq.pdbx_PDB_id_code 8OXI # INVALID # _struct_ref_seq.pdbx_strand_id A # INVALID # _struct_ref_seq.seq_align_beg 7 # INVALID # _struct_ref_seq.pdbx_seq_align_beg_ins_code ? # INVALID # _struct_ref_seq.seq_align_end 104 # INVALID # _struct_ref_seq.pdbx_seq_align_end_ins_code ? # INVALID # _struct_ref_seq.pdbx_db_accession A0A1L5JEG4 # INVALID # _struct_ref_seq.db_align_beg 22 # INVALID # _struct_ref_seq.pdbx_db_align_beg_ins_code ? # INVALID # _struct_ref_seq.db_align_end 119 # INVALID # _struct_ref_seq.pdbx_db_align_end_ins_code ? # INVALID # _struct_ref_seq.pdbx_auth_seq_align_beg 2 # INVALID # _struct_ref_seq.pdbx_auth_seq_align_end 99 # # INVALID # loop_ # INVALID # _struct_ref_seq_dif.align_id # INVALID # _struct_ref_seq_dif.pdbx_pdb_id_code # INVALID # _struct_ref_seq_dif.mon_id # INVALID # _struct_ref_seq_dif.pdbx_pdb_strand_id # INVALID # _struct_ref_seq_dif.seq_num # INVALID # _struct_ref_seq_dif.pdbx_pdb_ins_code # INVALID # _struct_ref_seq_dif.pdbx_seq_db_name # INVALID # _struct_ref_seq_dif.pdbx_seq_db_accession_code # INVALID # _struct_ref_seq_dif.db_mon_id # INVALID # _struct_ref_seq_dif.pdbx_seq_db_seq_num # INVALID # _struct_ref_seq_dif.details # INVALID # _struct_ref_seq_dif.pdbx_auth_seq_num # INVALID # _struct_ref_seq_dif.pdbx_ordinal 4 I E 0.000 0.000 1.000 # INVALID # 1 8OXI PRO A 2 ? UNP A0A1L5JEG4 ? ? 'expression tag' -3 2 # INVALID # 1 8OXI LEU A 3 ? UNP A0A1L5JEG4 ? ? 'expression tag' -2 3 # INVALID # 1 8OXI GLY A 4 ? UNP A0A1L5JEG4 ? ? 'expression tag' -1 4 # INVALID # 1 8OXI SER A 5 ? UNP A0A1L5JEG4 ? ? 'expression tag' 0 5 # INVALID # 1 8OXI MET A 6 ? UNP A0A1L5JEG4 ? ? 'expression tag' 1 6 # # INVALID # loop_ # INVALID # _chem_comp.id # INVALID # _chem_comp.type # INVALID # _chem_comp.mon_nstd_flag # INVALID # _chem_comp.name # INVALID # _chem_comp.pdbx_synonyms # INVALID # _chem_comp.formula # INVALID # _chem_comp.formula_weight # INVALID # ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 # INVALID # ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 # INVALID # ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 # INVALID # CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 # INVALID # GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 # INVALID # GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 # INVALID # GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 # INVALID # HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 # INVALID # HOH non-polymer . WATER ? 'H2 O' 18.015 # INVALID # ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 # INVALID # LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 # INVALID # LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 # INVALID # MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 9 P H 0.000 1.000 0.000 # INVALID # PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 # INVALID # SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 # INVALID # THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 # INVALID # TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 # INVALID # TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 # INVALID # VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # # INVALID # _exptl.absorpt_coefficient_mu ? # INVALID # _exptl.absorpt_correction_T_max ? # INVALID # _exptl.absorpt_correction_T_min ? # INVALID # _exptl.absorpt_correction_type ? # INVALID # _exptl.absorpt_process_details ? # INVALID # _exptl.entry_id 8OXI # INVALID # _exptl.crystals_number 1 # INVALID # _exptl.details ? # INVALID # _exptl.method 'X-RAY DIFFRACTION' # INVALID # _exptl.method_details ? # # INVALID # _exptl_crystal.colour ? # INVALID # _exptl_crystal.density_diffrn ? # INVALID # _exptl_crystal.density_Matthews 1.84 # INVALID # _exptl_crystal.density_method ? # INVALID # _exptl_crystal.density_percent_sol 33.15 # INVALID # _exptl_crystal.description ? # INVALID # _exptl_crystal.F_000 ? # INVALID # _exptl_crystal.id 1 # INVALID # _exptl_crystal.preparation ? # INVALID # _exptl_crystal.size_max ? # INVALID # _exptl_crystal.size_mid ? # INVALID # _exptl_crystal.size_min ? # INVALID # _exptl_crystal.size_rad ? # INVALID # _exptl_crystal.colour_lustre ? # INVALID # _exptl_crystal.colour_modifier ? # INVALID # _exptl_crystal.colour_primary ? # INVALID # _exptl_crystal.density_meas ? # INVALID # _exptl_crystal.density_meas_esd ? # INVALID # _exptl_crystal.density_meas_gt ? # INVALID # _exptl_crystal.density_meas_lt ? # INVALID # _exptl_crystal.density_meas_temp ? # INVALID # _exptl_crystal.density_meas_temp_esd ? # INVALID # _exptl_crystal.density_meas_temp_gt ? # INVALID # _exptl_crystal.density_meas_temp_lt ? # INVALID # _exptl_crystal.pdbx_crystal_image_url ? # INVALID # _exptl_crystal.pdbx_crystal_image_format ? # INVALID # _exptl_crystal.pdbx_mosaicity ? # INVALID # _exptl_crystal.pdbx_mosaicity_esd ? # INVALID # _exptl_crystal.pdbx_mosaic_method ? # INVALID # _exptl_crystal.pdbx_mosaic_block_size ? # INVALID # _exptl_crystal.pdbx_mosaic_block_size_esd ? # # INVALID # _exptl_crystal_grow.apparatus ? # INVALID # _exptl_crystal_grow.atmosphere ? # INVALID # _exptl_crystal_grow.crystal_id 1 # INVALID # _exptl_crystal_grow.details ? # INVALID # _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' # INVALID # _exptl_crystal_grow.method_ref ? # INVALID # _exptl_crystal_grow.pH ? # INVALID # _exptl_crystal_grow.pressure ? # INVALID # _exptl_crystal_grow.pressure_esd ? # INVALID # _exptl_crystal_grow.seeding ? # INVALID # _exptl_crystal_grow.seeding_ref ? # INVALID # _exptl_crystal_grow.temp_details ? # INVALID # _exptl_crystal_grow.temp_esd ? # INVALID # _exptl_crystal_grow.time ? # INVALID # _exptl_crystal_grow.pdbx_details '0.1 M BIS-TRIS pH 6.5, 28% w/v Polyethylene glycol monomethyl ether 2,000' # INVALID # _exptl_crystal_grow.pdbx_pH_range ? # INVALID # _exptl_crystal_grow.temp 293.15 # # INVALID # _diffrn.ambient_environment ? # INVALID # _diffrn.ambient_temp 100 # INVALID # _diffrn.ambient_temp_details ? # INVALID # _diffrn.ambient_temp_esd ? # INVALID # _diffrn.crystal_id 1 # INVALID # _diffrn.crystal_support ? # INVALID # _diffrn.crystal_treatment ? # INVALID # _diffrn.details ? # INVALID # _diffrn.id 1 # INVALID # _diffrn.ambient_pressure ? # INVALID # _diffrn.ambient_pressure_esd ? # INVALID # _diffrn.ambient_pressure_gt ? # INVALID # _diffrn.ambient_pressure_lt ? # INVALID # _diffrn.ambient_temp_gt ? # INVALID # _diffrn.ambient_temp_lt ? # INVALID # _diffrn.pdbx_serial_crystal_experiment N # # INVALID # _diffrn_detector.details ? # INVALID # _diffrn_detector.detector PIXEL # INVALID # _diffrn_detector.diffrn_id 1 # INVALID # _diffrn_detector.type 'DECTRIS EIGER X 16M' # INVALID # _diffrn_detector.area_resol_mean ? # INVALID # _diffrn_detector.dtime ? # INVALID # _diffrn_detector.pdbx_frames_total ? # INVALID # _diffrn_detector.pdbx_collection_time_total ? # INVALID # _diffrn_detector.pdbx_collection_date 2022-02-06 # INVALID # _diffrn_detector.pdbx_frequency ? # INVALID # _diffrn_detector.id ? # INVALID # _diffrn_detector.number_of_axes ? # # INVALID # _diffrn_radiation.collimation ? # INVALID # _diffrn_radiation.diffrn_id 1 # INVALID # _diffrn_radiation.filter_edge ? # INVALID # _diffrn_radiation.inhomogeneity ? # INVALID # _diffrn_radiation.monochromator ? # INVALID # _diffrn_radiation.polarisn_norm ? # INVALID # _diffrn_radiation.polarisn_ratio ? # INVALID # _diffrn_radiation.probe ? # INVALID # _diffrn_radiation.type ? # INVALID # _diffrn_radiation.xray_symbol ? # INVALID # _diffrn_radiation.wavelength_id 1 # INVALID # _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M # INVALID # _diffrn_radiation.pdbx_wavelength_list ? # INVALID # _diffrn_radiation.pdbx_wavelength ? # INVALID # _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' # INVALID # _diffrn_radiation.pdbx_analyzer ? # INVALID # _diffrn_radiation.pdbx_scattering_type x-ray # # INVALID # _diffrn_radiation_wavelength.id 1 # INVALID # _diffrn_radiation_wavelength.wavelength 0.9999 # INVALID # _diffrn_radiation_wavelength.wt 1.0 # # INVALID # _diffrn_source.current ? # INVALID # _diffrn_source.details ? # INVALID # _diffrn_source.diffrn_id 1 # INVALID # _diffrn_source.power ? # INVALID # _diffrn_source.size ? # INVALID # _diffrn_source.source SYNCHROTRON # INVALID # _diffrn_source.target ? # INVALID # _diffrn_source.type 'SLS BEAMLINE X06SA' # INVALID # _diffrn_source.voltage ? # INVALID # _diffrn_source.take-off_angle ? # INVALID # _diffrn_source.pdbx_wavelength_list 0.9999 # INVALID # _diffrn_source.pdbx_wavelength ? # INVALID # _diffrn_source.pdbx_synchrotron_beamline X06SA # INVALID # _diffrn_source.pdbx_synchrotron_site SLS # # INVALID # _reflns.B_iso_Wilson_estimate 19.03 # INVALID # _reflns.entry_id 8OXI # INVALID # _reflns.data_reduction_details ? # INVALID # _reflns.data_reduction_method ? # INVALID # _reflns.d_resolution_high 1.51 # INVALID # _reflns.d_resolution_low 36.80 # INVALID # _reflns.details ? # INVALID # _reflns.limit_h_max ? # INVALID # _reflns.limit_h_min ? # INVALID # _reflns.limit_k_max ? # INVALID # _reflns.limit_k_min ? # INVALID # _reflns.limit_l_max ? # INVALID # _reflns.limit_l_min ? # INVALID # _reflns.number_all ? # INVALID # _reflns.number_obs 24155 # INVALID # _reflns.observed_criterion ? # INVALID # _reflns.observed_criterion_F_max ? # INVALID # _reflns.observed_criterion_F_min ? # INVALID # _reflns.observed_criterion_I_max ? # INVALID # _reflns.observed_criterion_I_min ? # INVALID # _reflns.observed_criterion_sigma_F ? # INVALID # _reflns.observed_criterion_sigma_I ? # INVALID # _reflns.percent_possible_obs 99.7 # INVALID # _reflns.R_free_details ? # INVALID # _reflns.Rmerge_F_all ? # INVALID # _reflns.Rmerge_F_obs ? # INVALID # _reflns.Friedel_coverage ? # INVALID # _reflns.number_gt ? # INVALID # _reflns.threshold_expression ? # INVALID # _reflns.pdbx_redundancy 6.9 # INVALID # _reflns.pdbx_netI_over_av_sigmaI ? # INVALID # _reflns.pdbx_netI_over_sigmaI 7.72 # INVALID # _reflns.pdbx_res_netI_over_av_sigmaI_2 ? # INVALID # _reflns.pdbx_res_netI_over_sigmaI_2 ? # INVALID # _reflns.pdbx_chi_squared ? # INVALID # _reflns.pdbx_scaling_rejects ? # INVALID # _reflns.pdbx_d_res_high_opt ? # INVALID # _reflns.pdbx_d_res_low_opt ? # INVALID # _reflns.pdbx_d_res_opt_method ? # INVALID # _reflns.phase_calculation_details ? # INVALID # _reflns.pdbx_Rrim_I_all ? # INVALID # _reflns.pdbx_Rpim_I_all ? # INVALID # _reflns.pdbx_d_opt ? # INVALID # _reflns.pdbx_number_measured_all ? # INVALID # _reflns.pdbx_diffrn_id 1 # INVALID # _reflns.pdbx_ordinal 1 # INVALID # _reflns.pdbx_CC_half 0.997 # INVALID # _reflns.pdbx_CC_star ? # INVALID # _reflns.pdbx_R_split ? # INVALID # _reflns.pdbx_Rmerge_I_obs ? # INVALID # _reflns.pdbx_Rmerge_I_all ? # INVALID # _reflns.pdbx_Rsym_value ? # INVALID # _reflns.pdbx_CC_split_method ? # INVALID # _reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1] ? # INVALID # _reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2] ? # INVALID # _reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3] ? # INVALID # _reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1] ? # INVALID # _reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2] ? # INVALID # _reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3] ? # INVALID # _reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1] ? # INVALID # _reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2] ? # INVALID # _reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3] ? # INVALID # _reflns.pdbx_aniso_diffraction_limit_1 ? # INVALID # _reflns.pdbx_aniso_diffraction_limit_2 ? # INVALID # _reflns.pdbx_aniso_diffraction_limit_3 ? # INVALID # _reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1] ? # INVALID # _reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2] ? # INVALID # _reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3] ? # INVALID # _reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1] ? # INVALID # _reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2] ? # INVALID # _reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3] ? # INVALID # _reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1] ? # INVALID # _reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2] ? # INVALID # _reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3] ? # INVALID # _reflns.pdbx_aniso_B_tensor_eigenvalue_1 ? # INVALID # _reflns.pdbx_aniso_B_tensor_eigenvalue_2 ? # INVALID # _reflns.pdbx_aniso_B_tensor_eigenvalue_3 ? # INVALID # _reflns.pdbx_orthogonalization_convention ? # INVALID # _reflns.pdbx_percent_possible_ellipsoidal ? # INVALID # _reflns.pdbx_percent_possible_spherical ? # INVALID # _reflns.pdbx_percent_possible_ellipsoidal_anomalous ? # INVALID # _reflns.pdbx_percent_possible_spherical_anomalous ? # INVALID # _reflns.pdbx_redundancy_anomalous ? # INVALID # _reflns.pdbx_CC_half_anomalous ? # INVALID # _reflns.pdbx_absDiff_over_sigma_anomalous ? # INVALID # _reflns.pdbx_percent_possible_anomalous ? # INVALID # _reflns.pdbx_observed_signal_threshold ? # INVALID # _reflns.pdbx_signal_type ? # INVALID # _reflns.pdbx_signal_details ? # INVALID # _reflns.pdbx_signal_software_id ? # # INVALID # _reflns_shell.d_res_high 1.51 # INVALID # _reflns_shell.d_res_low 1.55 # INVALID # _reflns_shell.meanI_over_sigI_all ? # INVALID # _reflns_shell.meanI_over_sigI_obs ? # INVALID # _reflns_shell.number_measured_all ? # INVALID # _reflns_shell.number_measured_obs ? # INVALID # _reflns_shell.number_possible ? # INVALID # _reflns_shell.number_unique_all ? # INVALID # _reflns_shell.number_unique_obs 2348 # INVALID # _reflns_shell.percent_possible_obs ? # INVALID # _reflns_shell.Rmerge_F_all ? # INVALID # _reflns_shell.Rmerge_F_obs ? # INVALID # _reflns_shell.meanI_over_sigI_gt ? # INVALID # _reflns_shell.meanI_over_uI_all ? # INVALID # _reflns_shell.meanI_over_uI_gt ? # INVALID # _reflns_shell.number_measured_gt ? # INVALID # _reflns_shell.number_unique_gt ? # INVALID # _reflns_shell.percent_possible_gt ? # INVALID # _reflns_shell.Rmerge_F_gt ? # INVALID # _reflns_shell.Rmerge_I_gt ? # INVALID # _reflns_shell.pdbx_redundancy ? # INVALID # _reflns_shell.pdbx_chi_squared ? # INVALID # _reflns_shell.pdbx_netI_over_sigmaI_all ? # INVALID # _reflns_shell.pdbx_netI_over_sigmaI_obs ? # INVALID # _reflns_shell.pdbx_Rrim_I_all ? # INVALID # _reflns_shell.pdbx_Rpim_I_all ? # INVALID # _reflns_shell.pdbx_rejects ? # INVALID # _reflns_shell.pdbx_ordinal 1 # INVALID # _reflns_shell.pdbx_diffrn_id 1 # INVALID # _reflns_shell.pdbx_CC_half 0.26 # INVALID # _reflns_shell.pdbx_CC_star ? # INVALID # _reflns_shell.pdbx_R_split ? # INVALID # _reflns_shell.percent_possible_all ? # INVALID # _reflns_shell.Rmerge_I_all ? # INVALID # _reflns_shell.Rmerge_I_obs ? # INVALID # _reflns_shell.pdbx_Rsym_value ? # INVALID # _reflns_shell.pdbx_percent_possible_ellipsoidal ? # INVALID # _reflns_shell.pdbx_percent_possible_spherical ? # INVALID # _reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous ? # INVALID # _reflns_shell.pdbx_percent_possible_spherical_anomalous ? # INVALID # _reflns_shell.pdbx_redundancy_anomalous ? # INVALID # _reflns_shell.pdbx_CC_half_anomalous ? # INVALID # _reflns_shell.pdbx_absDiff_over_sigma_anomalous ? # INVALID # _reflns_shell.pdbx_percent_possible_anomalous ? # # INVALID # _refine.aniso_B[1][1] ? # INVALID # _refine.aniso_B[1][2] ? # INVALID # _refine.aniso_B[1][3] ? # INVALID # _refine.aniso_B[2][2] ? # INVALID # _refine.aniso_B[2][3] ? # INVALID # _refine.aniso_B[3][3] ? # INVALID # _refine.B_iso_max ? # INVALID # _refine.B_iso_mean 25.51 # INVALID # _refine.B_iso_min ? # INVALID # _refine.correlation_coeff_Fo_to_Fc ? # INVALID # _refine.correlation_coeff_Fo_to_Fc_free ? # INVALID # _refine.details ? # INVALID # _refine.diff_density_max ? # INVALID # _refine.diff_density_max_esd ? # INVALID # _refine.diff_density_min ? # INVALID # _refine.diff_density_min_esd ? # INVALID # _refine.diff_density_rms ? # INVALID # _refine.diff_density_rms_esd ? # INVALID # _refine.entry_id 8OXI # INVALID # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' # INVALID # _refine.ls_abs_structure_details ? # INVALID # _refine.ls_abs_structure_Flack ? # INVALID # _refine.ls_abs_structure_Flack_esd ? # INVALID # _refine.ls_abs_structure_Rogers ? # INVALID # _refine.ls_abs_structure_Rogers_esd ? # INVALID # _refine.ls_d_res_high 1.51 # INVALID # _refine.ls_d_res_low 36.80 # INVALID # _refine.ls_extinction_coef ? # INVALID # _refine.ls_extinction_coef_esd ? # INVALID # _refine.ls_extinction_expression ? # INVALID # _refine.ls_extinction_method ? # INVALID # _refine.ls_goodness_of_fit_all ? # INVALID # _refine.ls_goodness_of_fit_all_esd ? # INVALID # _refine.ls_goodness_of_fit_obs ? # INVALID # _refine.ls_goodness_of_fit_obs_esd ? # INVALID # _refine.ls_hydrogen_treatment ? # INVALID # _refine.ls_matrix_type ? # INVALID # _refine.ls_number_constraints ? # INVALID # _refine.ls_number_parameters ? # INVALID # _refine.ls_number_reflns_all ? # INVALID # _refine.ls_number_reflns_obs 12842 # INVALID # _refine.ls_number_reflns_R_free 642 # INVALID # _refine.ls_number_reflns_R_work 12200 # INVALID # _refine.ls_number_restraints ? # INVALID # _refine.ls_percent_reflns_obs 94.41 # INVALID # _refine.ls_percent_reflns_R_free 5.00 # INVALID # _refine.ls_R_factor_all ? # INVALID # _refine.ls_R_factor_obs 0.1944 # INVALID # _refine.ls_R_factor_R_free 0.2069 # INVALID # _refine.ls_R_factor_R_free_error ? # INVALID # _refine.ls_R_factor_R_free_error_details ? # INVALID # _refine.ls_R_factor_R_work 0.1937 # INVALID # _refine.ls_R_Fsqd_factor_obs ? # INVALID # _refine.ls_R_I_factor_obs ? # INVALID # _refine.ls_redundancy_reflns_all ? # INVALID # _refine.ls_redundancy_reflns_obs ? # INVALID # _refine.ls_restrained_S_all ? # INVALID # _refine.ls_restrained_S_obs ? # INVALID # _refine.ls_shift_over_esd_max ? # INVALID # _refine.ls_shift_over_esd_mean ? # INVALID # _refine.ls_structure_factor_coef ? # INVALID # _refine.ls_weighting_details ? # INVALID # _refine.ls_weighting_scheme ? # INVALID # _refine.ls_wR_factor_all ? # INVALID # _refine.ls_wR_factor_obs ? # INVALID # _refine.ls_wR_factor_R_free ? # INVALID # _refine.ls_wR_factor_R_work ? # INVALID # _refine.occupancy_max ? # INVALID # _refine.occupancy_min ? # INVALID # _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' # INVALID # _refine.solvent_model_param_bsol ? # INVALID # _refine.solvent_model_param_ksol ? # INVALID # _refine.pdbx_R_complete ? # INVALID # _refine.ls_R_factor_gt ? # INVALID # _refine.ls_goodness_of_fit_gt ? # INVALID # _refine.ls_goodness_of_fit_ref ? # INVALID # _refine.ls_shift_over_su_max ? # INVALID # _refine.ls_shift_over_su_max_lt ? # INVALID # _refine.ls_shift_over_su_mean ? # INVALID # _refine.ls_shift_over_su_mean_lt ? # INVALID # _refine.pdbx_ls_sigma_I ? # INVALID # _refine.pdbx_ls_sigma_F 1.36 # INVALID # _refine.pdbx_ls_sigma_Fsqd ? # INVALID # _refine.pdbx_data_cutoff_high_absF ? # INVALID # _refine.pdbx_data_cutoff_high_rms_absF ? # INVALID # _refine.pdbx_data_cutoff_low_absF ? # INVALID # _refine.pdbx_isotropic_thermal_model ? # INVALID # _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' # INVALID # _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' # INVALID # _refine.pdbx_starting_model ? # INVALID # _refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2' # INVALID # _refine.pdbx_R_Free_selection_details ? # INVALID # _refine.pdbx_stereochem_target_val_spec_case ? # INVALID # _refine.pdbx_overall_ESU_R ? # INVALID # _refine.pdbx_overall_ESU_R_Free ? # INVALID # _refine.pdbx_solvent_vdw_probe_radii 1.1000 # INVALID # _refine.pdbx_solvent_ion_probe_radii ? # INVALID # _refine.pdbx_solvent_shrinkage_radii 0.9000 # INVALID # _refine.pdbx_real_space_R ? # INVALID # _refine.pdbx_density_correlation ? # INVALID # _refine.pdbx_pd_number_of_powder_patterns ? # INVALID # _refine.pdbx_pd_number_of_points ? # INVALID # _refine.pdbx_pd_meas_number_of_points ? # INVALID # _refine.pdbx_pd_proc_ls_prof_R_factor ? # INVALID # _refine.pdbx_pd_proc_ls_prof_wR_factor ? # INVALID # _refine.pdbx_pd_Marquardt_correlation_coeff ? # INVALID # _refine.pdbx_pd_Fsqrd_R_factor ? # INVALID # _refine.pdbx_pd_ls_matrix_band_width ? # INVALID # _refine.pdbx_overall_phase_error 25.3335 # INVALID # _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? # INVALID # _refine.pdbx_overall_SU_R_free_Blow_DPI ? # INVALID # _refine.pdbx_overall_SU_R_Blow_DPI ? # INVALID # _refine.pdbx_TLS_residual_ADP_flag ? # INVALID # _refine.pdbx_diffrn_id 1 # INVALID # _refine.overall_SU_B ? # INVALID # _refine.overall_SU_ML 0.1659 # INVALID # _refine.overall_SU_R_Cruickshank_DPI ? # INVALID # _refine.overall_SU_R_free ? # INVALID # _refine.overall_FOM_free_R_set ? # INVALID # _refine.overall_FOM_work_R_set ? # INVALID # _refine.pdbx_average_fsc_overall ? # INVALID # _refine.pdbx_average_fsc_work ? # INVALID # _refine.pdbx_average_fsc_free ? # # INVALID # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' # INVALID # _refine_hist.cycle_id LAST # INVALID # _refine_hist.details ? # INVALID # _refine_hist.d_res_high 1.51 # INVALID # _refine_hist.d_res_low 36.80 # INVALID # _refine_hist.number_atoms_solvent 88 # INVALID # _refine_hist.number_atoms_total 822 # INVALID # _refine_hist.number_reflns_all ? # INVALID # _refine_hist.number_reflns_obs ? # INVALID # _refine_hist.number_reflns_R_free ? # INVALID # _refine_hist.number_reflns_R_work ? # INVALID # _refine_hist.R_factor_all ? # INVALID # _refine_hist.R_factor_obs ? # INVALID # _refine_hist.R_factor_R_free ? # INVALID # _refine_hist.R_factor_R_work ? # INVALID # _refine_hist.pdbx_number_residues_total ? # INVALID # _refine_hist.pdbx_B_iso_mean_ligand ? # INVALID # _refine_hist.pdbx_B_iso_mean_solvent ? # INVALID # _refine_hist.pdbx_number_atoms_protein 734 # INVALID # _refine_hist.pdbx_number_atoms_nucleic_acid 0 # INVALID # _refine_hist.pdbx_number_atoms_ligand 0 # INVALID # _refine_hist.pdbx_number_atoms_lipid ? # INVALID # _refine_hist.pdbx_number_atoms_carb ? # INVALID # _refine_hist.pdbx_pseudo_atom_details ? # # INVALID # loop_ # INVALID # _refine_ls_restr.pdbx_refine_id # INVALID # _refine_ls_restr.criterion # INVALID # _refine_ls_restr.dev_ideal # INVALID # _refine_ls_restr.dev_ideal_target # INVALID # _refine_ls_restr.number # INVALID # _refine_ls_restr.rejects # INVALID # _refine_ls_restr.type # INVALID # _refine_ls_restr.weight # INVALID # _refine_ls_restr.pdbx_restraint_function # INVALID # 'X-RAY DIFFRACTION' ? 0.0112 ? 753 ? f_bond_d ? ? # INVALID # 'X-RAY DIFFRACTION' ? 1.2165 ? 1019 ? f_angle_d ? ? 108 A C 1.000 0.000 0.000 130 A E 0.000 0.000 1.000 105 L H 0.000 1.000 0.000 # # INVALID # loop_ # INVALID # _refine_ls_shell.pdbx_refine_id # INVALID # _refine_ls_shell.d_res_high # INVALID # _refine_ls_shell.d_res_low # INVALID # _refine_ls_shell.number_reflns_all # INVALID # _refine_ls_shell.number_reflns_obs # INVALID # _refine_ls_shell.number_reflns_R_free # INVALID # _refine_ls_shell.number_reflns_R_work # INVALID # _refine_ls_shell.percent_reflns_obs # INVALID # _refine_ls_shell.percent_reflns_R_free # INVALID # _refine_ls_shell.R_factor_all # INVALID # _refine_ls_shell.R_factor_obs # INVALID # _refine_ls_shell.R_factor_R_free_error # INVALID # _refine_ls_shell.R_factor_R_work # INVALID # _refine_ls_shell.redundancy_reflns_all # INVALID # _refine_ls_shell.redundancy_reflns_obs # INVALID # _refine_ls_shell.wR_factor_all # INVALID # _refine_ls_shell.wR_factor_obs # INVALID # _refine_ls_shell.wR_factor_R_free # INVALID # _refine_ls_shell.wR_factor_R_work # INVALID # _refine_ls_shell.pdbx_R_complete # INVALID # _refine_ls_shell.pdbx_total_number_of_bins_used # INVALID # _refine_ls_shell.pdbx_phase_error # INVALID # _refine_ls_shell.pdbx_fsc_work # INVALID # _refine_ls_shell.pdbx_fsc_free # INVALID # _refine_ls_shell.R_factor_R_free # INVALID # 'X-RAY DIFFRACTION' 1.51 1.62 . . 126 2385 94.01 . . . . 0.2371 . . . . . . . . . . . 0.2739 # INVALID # 'X-RAY DIFFRACTION' 1.62 1.79 . . 125 2368 92.92 . . . . 0.2053 . . . . . . . . . . . 0.2390 # INVALID # 'X-RAY DIFFRACTION' 1.79 2.05 . . 127 2436 94.68 . . . . 0.1797 . . . . . . . . . . . 0.2038 # INVALID # 'X-RAY DIFFRACTION' 2.05 2.58 . . 132 2505 97.09 . . . . 0.1992 . . . . . . . . . . . 0.2080 # INVALID # 'X-RAY DIFFRACTION' 2.58 36.80 . . 132 2506 93.41 . . . . 0.1890 . . . . . . . . . . . 0.1962 # # INVALID # _struct.entry_id 8OXI # INVALID # _struct.title 'crystal structure of powdery mildews Blumeria graminis f. sp. tritici AVRPM2(1)' # INVALID # _struct.pdbx_model_details ? # INVALID # _struct.pdbx_formula_weight ? # INVALID # _struct.pdbx_formula_weight_method ? # INVALID # _struct.pdbx_model_type_details ? # INVALID # _struct.pdbx_CASP_flag N # # INVALID # _struct_keywords.entry_id 8OXI # INVALID # _struct_keywords.text 'effector, UNKNOWN FUNCTION' # INVALID # _struct_keywords.pdbx_keywords 'UNKNOWN FUNCTION' # # INVALID # loop_ # INVALID # _struct_asym.id # INVALID # _struct_asym.pdbx_blank_PDB_chainid_flag # INVALID # _struct_asym.pdbx_modified # INVALID # _struct_asym.entity_id # INVALID # _struct_asym.details # INVALID # A N N 1 ? # INVALID # B N N 2 ? # # INVALID # _struct_conf.conf_type_id HELX_P # INVALID # _struct_conf.id HELX_P1 # INVALID # _struct_conf.pdbx_PDB_helix_id AA1 # INVALID # _struct_conf.beg_label_comp_id PHE # INVALID # _struct_conf.beg_label_asym_id A # INVALID # _struct_conf.beg_label_seq_id 19 # INVALID # _struct_conf.pdbx_beg_PDB_ins_code ? # INVALID # _struct_conf.end_label_comp_id SER # INVALID # _struct_conf.end_label_asym_id A # INVALID # _struct_conf.end_label_seq_id 32 # INVALID # _struct_conf.pdbx_end_PDB_ins_code ? # INVALID # _struct_conf.beg_auth_comp_id PHE # INVALID # _struct_conf.beg_auth_asym_id A # INVALID # _struct_conf.beg_auth_seq_id 14 # INVALID # _struct_conf.end_auth_comp_id SER # INVALID # _struct_conf.end_auth_asym_id A # INVALID # _struct_conf.end_auth_seq_id 27 # INVALID # _struct_conf.pdbx_PDB_helix_class 1 # INVALID # _struct_conf.details ? # INVALID # _struct_conf.pdbx_PDB_helix_length 14 # # INVALID # _struct_conf_type.id HELX_P # INVALID # _struct_conf_type.criteria ? # INVALID # _struct_conf_type.reference ? # # INVALID # _struct_conn.id disulf1 # INVALID # _struct_conn.conn_type_id disulf # INVALID # _struct_conn.pdbx_leaving_atom_flag ? # INVALID # _struct_conn.pdbx_PDB_id ? # INVALID # _struct_conn.ptnr1_label_asym_id A # INVALID # _struct_conn.ptnr1_label_comp_id CYS # INVALID # _struct_conn.ptnr1_label_seq_id 12 # INVALID # _struct_conn.ptnr1_label_atom_id SG # INVALID # _struct_conn.pdbx_ptnr1_label_alt_id ? # INVALID # _struct_conn.pdbx_ptnr1_PDB_ins_code ? # INVALID # _struct_conn.pdbx_ptnr1_standard_comp_id ? # INVALID # _struct_conn.ptnr1_symmetry 1_555 # INVALID # _struct_conn.ptnr2_label_asym_id A # INVALID # _struct_conn.ptnr2_label_comp_id CYS # INVALID # _struct_conn.ptnr2_label_seq_id 98 # INVALID # _struct_conn.ptnr2_label_atom_id SG # INVALID # _struct_conn.pdbx_ptnr2_label_alt_id ? # INVALID # _struct_conn.pdbx_ptnr2_PDB_ins_code ? # INVALID # _struct_conn.ptnr1_auth_asym_id A # INVALID # _struct_conn.ptnr1_auth_comp_id CYS # INVALID # _struct_conn.ptnr1_auth_seq_id 7 # INVALID # _struct_conn.ptnr2_auth_asym_id A # INVALID # _struct_conn.ptnr2_auth_comp_id CYS # INVALID # _struct_conn.ptnr2_auth_seq_id 93 # INVALID # _struct_conn.ptnr2_symmetry 1_555 # INVALID # _struct_conn.pdbx_ptnr3_label_atom_id ? # INVALID # _struct_conn.pdbx_ptnr3_label_seq_id ? # INVALID # _struct_conn.pdbx_ptnr3_label_comp_id ? # INVALID # _struct_conn.pdbx_ptnr3_label_asym_id ? # INVALID # _struct_conn.pdbx_ptnr3_label_alt_id ? # INVALID # _struct_conn.pdbx_ptnr3_PDB_ins_code ? # INVALID # _struct_conn.details ? # INVALID # _struct_conn.pdbx_dist_value 2.053 # INVALID # _struct_conn.pdbx_value_order ? # INVALID # _struct_conn.pdbx_role ? # # INVALID # _struct_conn_type.id disulf # INVALID # _struct_conn_type.criteria ? # INVALID # _struct_conn_type.reference ? # # INVALID # _struct_mon_prot_cis.pdbx_id 1 # INVALID # _struct_mon_prot_cis.label_comp_id TYR # INVALID # _struct_mon_prot_cis.label_seq_id 40 # INVALID # _struct_mon_prot_cis.label_asym_id A # INVALID # _struct_mon_prot_cis.label_alt_id . # INVALID # _struct_mon_prot_cis.pdbx_PDB_ins_code ? # INVALID # _struct_mon_prot_cis.auth_comp_id TYR # INVALID # _struct_mon_prot_cis.auth_seq_id 35 # INVALID # _struct_mon_prot_cis.auth_asym_id A # INVALID # _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO # INVALID # _struct_mon_prot_cis.pdbx_label_seq_id_2 41 # INVALID # _struct_mon_prot_cis.pdbx_label_asym_id_2 A # INVALID # _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? # INVALID # _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO # INVALID # _struct_mon_prot_cis.pdbx_auth_seq_id_2 36 # INVALID # _struct_mon_prot_cis.pdbx_auth_asym_id_2 A # INVALID # _struct_mon_prot_cis.pdbx_PDB_model_num 1 # INVALID # _struct_mon_prot_cis.pdbx_omega_angle -3.37 # # INVALID # loop_ # INVALID # _struct_sheet.id # INVALID # _struct_sheet.type # INVALID # _struct_sheet.number_strands # INVALID # _struct_sheet.details # INVALID # AA1 ? 3 ? # INVALID # AA2 ? 5 ? # # INVALID # loop_ # INVALID # _struct_sheet_order.sheet_id # INVALID # _struct_sheet_order.range_id_1 # INVALID # _struct_sheet_order.range_id_2 # INVALID # _struct_sheet_order.offset # INVALID # _struct_sheet_order.sense # INVALID # AA1 1 2 ? anti-parallel # INVALID # AA1 2 3 ? anti-parallel # INVALID # AA2 1 2 ? anti-parallel # INVALID # AA2 2 3 ? anti-parallel # INVALID # AA2 3 4 ? anti-parallel # INVALID # AA2 4 5 ? anti-parallel # # INVALID # loop_ # INVALID # _struct_sheet_range.sheet_id # INVALID # _struct_sheet_range.id # INVALID # _struct_sheet_range.beg_label_comp_id # INVALID # _struct_sheet_range.beg_label_asym_id # INVALID # _struct_sheet_range.beg_label_seq_id # INVALID # _struct_sheet_range.pdbx_beg_PDB_ins_code # INVALID # _struct_sheet_range.end_label_comp_id # INVALID # _struct_sheet_range.end_label_asym_id # INVALID # _struct_sheet_range.end_label_seq_id # INVALID # _struct_sheet_range.pdbx_end_PDB_ins_code # INVALID # _struct_sheet_range.beg_auth_comp_id # INVALID # _struct_sheet_range.beg_auth_asym_id # INVALID # _struct_sheet_range.beg_auth_seq_id # INVALID # _struct_sheet_range.end_auth_comp_id # INVALID # _struct_sheet_range.end_auth_asym_id # INVALID # _struct_sheet_range.end_auth_seq_id 10 K E 0.000 0.000 1.000 # INVALID # AA1 2 TYR A 9 ? CYS A 12 ? TYR A 4 CYS A 7 101 R H 0.000 1.000 0.000 # INVALID # AA2 1 SER A 42 ? ILE A 43 ? SER A 37 ILE A 38 57 Q E 0.000 0.000 1.000 52 E E 0.000 0.000 1.000 # INVALID # AA2 3 TYR A 75 ? ALA A 79 ? TYR A 70 ALA A 74 90 D C 1.000 0.000 0.000 96 K E 0.000 0.000 1.000 # # INVALID # loop_ # INVALID # _pdbx_struct_sheet_hbond.sheet_id # INVALID # _pdbx_struct_sheet_hbond.range_id_1 # INVALID # _pdbx_struct_sheet_hbond.range_id_2 # INVALID # _pdbx_struct_sheet_hbond.range_1_label_atom_id # INVALID # _pdbx_struct_sheet_hbond.range_1_label_comp_id # INVALID # _pdbx_struct_sheet_hbond.range_1_label_asym_id # INVALID # _pdbx_struct_sheet_hbond.range_1_label_seq_id # INVALID # _pdbx_struct_sheet_hbond.range_1_PDB_ins_code # INVALID # _pdbx_struct_sheet_hbond.range_1_auth_atom_id # INVALID # _pdbx_struct_sheet_hbond.range_1_auth_comp_id # INVALID # _pdbx_struct_sheet_hbond.range_1_auth_asym_id # INVALID # _pdbx_struct_sheet_hbond.range_1_auth_seq_id # INVALID # _pdbx_struct_sheet_hbond.range_2_label_atom_id # INVALID # _pdbx_struct_sheet_hbond.range_2_label_comp_id # INVALID # _pdbx_struct_sheet_hbond.range_2_label_asym_id # INVALID # _pdbx_struct_sheet_hbond.range_2_label_seq_id # INVALID # _pdbx_struct_sheet_hbond.range_2_PDB_ins_code # INVALID # _pdbx_struct_sheet_hbond.range_2_auth_atom_id # INVALID # _pdbx_struct_sheet_hbond.range_2_auth_comp_id # INVALID # _pdbx_struct_sheet_hbond.range_2_auth_asym_id # INVALID # _pdbx_struct_sheet_hbond.range_2_auth_seq_id # INVALID # AA1 1 2 O ILE A 17 ? O ILE A 12 N TRP A 10 ? N TRP A 5 # INVALID # AA1 2 3 N TYR A 9 ? N TYR A 4 O VAL A 101 ? O VAL A 96 # INVALID # AA2 1 2 N SER A 42 ? N SER A 37 O GLN A 58 ? O GLN A 53 # INVALID # AA2 2 3 N PHE A 59 ? N PHE A 54 O VAL A 77 ? O VAL A 72 71 V H 0.000 1.000 0.000 # INVALID # AA2 4 5 N GLY A 90 ? N GLY A 85 O TYR A 96 ? O TYR A 91 # # INVALID # _atom_sites.entry_id 8OXI # INVALID # _atom_sites.Cartn_transf_matrix[1][1] ? # INVALID # _atom_sites.Cartn_transf_matrix[1][2] ? # INVALID # _atom_sites.Cartn_transf_matrix[1][3] ? # INVALID # _atom_sites.Cartn_transf_matrix[2][1] ? # INVALID # _atom_sites.Cartn_transf_matrix[2][2] ? # INVALID # _atom_sites.Cartn_transf_matrix[2][3] ? # INVALID # _atom_sites.Cartn_transf_matrix[3][1] ? # INVALID # _atom_sites.Cartn_transf_matrix[3][2] ? # INVALID # _atom_sites.Cartn_transf_matrix[3][3] ? # INVALID # _atom_sites.Cartn_transf_vector[1] ? # INVALID # _atom_sites.Cartn_transf_vector[2] ? # INVALID # _atom_sites.Cartn_transf_vector[3] ? # INVALID # _atom_sites.fract_transf_matrix[1][1] 0.019839 # INVALID # _atom_sites.fract_transf_matrix[1][2] 0.000000 # INVALID # _atom_sites.fract_transf_matrix[1][3] 0.000000 # INVALID # _atom_sites.fract_transf_matrix[2][1] 0.000000 # INVALID # _atom_sites.fract_transf_matrix[2][2] 0.018565 # INVALID # _atom_sites.fract_transf_matrix[2][3] 0.000000 # INVALID # _atom_sites.fract_transf_matrix[3][1] 0.000000 # INVALID # _atom_sites.fract_transf_matrix[3][2] 0.000000 # INVALID # _atom_sites.fract_transf_matrix[3][3] 0.016178 # INVALID # _atom_sites.fract_transf_vector[1] 0.00000 # INVALID # _atom_sites.fract_transf_vector[2] 0.00000 # INVALID # _atom_sites.fract_transf_vector[3] 0.00000 # INVALID # _atom_sites.solution_primary ? # INVALID # _atom_sites.solution_secondary ? # INVALID # _atom_sites.solution_hydrogens ? # INVALID # _atom_sites.special_details ? # # INVALID # loop_ # INVALID # _atom_type.symbol # INVALID # _atom_type.scat_dispersion_real # INVALID # _atom_type.scat_dispersion_imag # INVALID # _atom_type.scat_Cromer_Mann_a1 # INVALID # _atom_type.scat_Cromer_Mann_a2 # INVALID # _atom_type.scat_Cromer_Mann_a3 # INVALID # _atom_type.scat_Cromer_Mann_a4 # INVALID # _atom_type.scat_Cromer_Mann_b1 # INVALID # _atom_type.scat_Cromer_Mann_b2 # INVALID # _atom_type.scat_Cromer_Mann_b3 # INVALID # _atom_type.scat_Cromer_Mann_b4 # INVALID # _atom_type.scat_Cromer_Mann_c # INVALID # _atom_type.scat_source # INVALID # _atom_type.scat_dispersion_source # INVALID # C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364 ? ? 0.0 # INVALID # ;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. # INVALID # ; # INVALID # ? # INVALID # H ? ? 0.51345 0.48472 ? ? 24.73122 6.32584 ? ? 0.0 # INVALID # ;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. # INVALID # ; # INVALID # ? # INVALID # N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589 ? ? 0.0 # INVALID # ;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. # INVALID # ; # INVALID # ? # INVALID # O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748 ? ? 0.0 # INVALID # ;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. # INVALID # ; # INVALID # ? # INVALID # S ? ? 9.55732 6.39887 ? ? 1.23737 29.19336 ? ? 0.0 # INVALID # ;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31. # INVALID # ; # INVALID # ? # # INVALID # loop_ # INVALID # _atom_site.group_PDB # INVALID # _atom_site.id # INVALID # _atom_site.type_symbol # INVALID # _atom_site.label_atom_id # INVALID # _atom_site.label_alt_id # INVALID # _atom_site.label_comp_id # INVALID # _atom_site.label_asym_id # INVALID # _atom_site.label_entity_id # INVALID # _atom_site.label_seq_id # INVALID # _atom_site.pdbx_PDB_ins_code # INVALID # _atom_site.Cartn_x # INVALID # _atom_site.Cartn_y # INVALID # _atom_site.Cartn_z # INVALID # _atom_site.occupancy # INVALID # _atom_site.B_iso_or_equiv # INVALID # _atom_site.pdbx_formal_charge # INVALID # _atom_site.auth_seq_id # INVALID # _atom_site.auth_comp_id # INVALID # _atom_site.auth_asym_id # INVALID # _atom_site.auth_atom_id # INVALID # _atom_site.pdbx_PDB_model_num # INVALID # ATOM 1 N N . GLY A 1 1 ? 17.49636 21.61141 -30.61095 1.000 30.77868 ? -4 GLY A N 1 # INVALID # ATOM 2 C CA . GLY A 1 1 ? 18.33975 21.50856 -29.43084 1.000 30.43324 ? -4 GLY A CA 1 # INVALID # ATOM 3 C C . GLY A 1 1 ? 19.52757 20.61847 -29.71921 1.000 28.68696 ? -4 GLY A C 1 # INVALID # ATOM 4 O O . GLY A 1 1 ? 19.64615 20.07158 -30.81099 1.000 29.19778 ? -4 GLY A O 1 # INVALID # ATOM 5 N N . PRO A 1 2 ? 20.41679 20.45609 -28.74845 1.000 28.95229 ? -3 PRO A N 1 # INVALID # ATOM 6 C CA . PRO A 1 2 ? 21.58119 19.59681 -28.98252 1.000 22.76955 ? -3 PRO A CA 1 7 L C 1.000 0.000 0.000 # INVALID # ATOM 8 O O . PRO A 1 2 ? 20.27127 17.69819 -28.29325 1.000 24.53125 ? -3 PRO A O 1 # INVALID # ATOM 9 C CB . PRO A 1 2 ? 22.49660 19.86866 -27.78127 1.000 25.65108 ? -3 PRO A CB 1 # INVALID # ATOM 10 C CG . PRO A 1 2 ? 21.61798 20.53407 -26.76978 1.000 33.77295 ? -3 PRO A CG 1 # INVALID # ATOM 11 C CD . PRO A 1 2 ? 20.53982 21.24810 -27.51335 1.000 27.94863 ? -3 PRO A CD 1 # INVALID # ATOM 12 N N . LEU A 1 3 ? 21.84784 17.39950 -29.88942 1.000 21.59073 ? -2 LEU A N 1 # INVALID # ATOM 13 C CA . LEU A 1 3 ? 21.65793 15.96503 -30.00983 1.000 20.21624 ? -2 LEU A CA 1 14 L C 1.000 0.000 0.000 # INVALID # ATOM 15 O O . LEU A 1 3 ? 23.24584 15.47897 -28.25351 1.000 22.28220 ? -2 LEU A O 1 16 T C 1.000 0.000 0.000 # INVALID # ATOM 17 C CG . LEU A 1 3 ? 22.14535 13.98183 -31.55308 1.000 17.14789 ? -2 LEU A CG 1 # INVALID # ATOM 18 C CD1 . LEU A 1 3 ? 20.70372 13.80417 -32.06931 1.000 17.21308 ? -2 LEU A CD1 1 # INVALID # ATOM 19 C CD2 . LEU A 1 3 ? 23.14986 13.49885 -32.61494 1.000 20.11411 ? -2 LEU A CD2 1 # INVALID # ATOM 20 N N . GLY A 1 4 ? 21.32883 14.31008 -28.28698 1.000 18.57514 ? -1 GLY A N 1 # INVALID # ATOM 21 C CA . GLY A 1 4 ? 21.74946 13.45931 -27.19956 1.000 19.13287 ? -1 GLY A CA 1 22 H C 1.000 0.000 0.000 # INVALID # ATOM 23 O O . GLY A 1 4 ? 19.73891 12.19138 -27.44028 1.000 19.61006 ? -1 GLY A O 1 24 G E 0.000 0.000 1.000 25 V C 1.000 0.000 0.000 26 K C 1.000 0.000 0.000 27 K E 0.000 0.000 1.000 # INVALID # ATOM 28 C CB . SER A 1 5 ? 21.80060 8.63812 -26.75308 1.000 20.71303 ? 0 SER A CB 1 29 I E 0.000 0.000 1.000 # INVALID # ATOM 30 N N . MET A 1 6 ? 19.32807 8.88317 -25.04360 1.000 17.58277 ? 1 MET A N 1 # INVALID # ATOM 31 C CA . MET A 1 6 ? 18.53872 8.89753 -23.82979 1.000 17.84423 ? 1 MET A CA 1 # INVALID # ATOM 32 C C . MET A 1 6 ? 19.37277 8.38989 -22.65101 1.000 22.48087 ? 1 MET A C 1 33 G E 0.000 0.000 1.000 34 K C 1.000 0.000 0.000 35 E C 1.000 0.000 0.000 # INVALID # ATOM 36 S SD . MET A 1 6 ? 15.43640 9.52276 -22.77233 1.000 21.33555 ? 1 MET A SD 1 # INVALID # ATOM 37 C CE . MET A 1 6 ? 14.70664 9.16837 -21.29045 1.000 22.80922 ? 1 MET A CE 1 # INVALID # ATOM 38 H HA . MET A 1 6 ? 18.27661 9.80057 -23.59163 1.000 21.44095 ? 1 MET A HA 1 # INVALID # ATOM 39 N N . GLU A 1 7 ? 19.41186 9.20146 -21.59463 1.000 27.03342 ? 2 GLU A N 1 40 N C 1.000 0.000 0.000 41 A C 1.000 0.000 0.000 # INVALID # ATOM 42 O O . GLU A 1 7 ? 17.95520 7.93761 -19.74311 1.000 22.49112 ? 2 GLU A O 1 # INVALID # ATOM 43 C CB . GLU A 1 7 ? 20.71284 10.04457 -19.66809 1.000 37.48450 ? 2 GLU A CB 1 # INVALID # ATOM 44 C CG . GLU A 1 7 ? 19.71646 11.12673 -19.28617 1.000 41.03035 ? 2 GLU A CG 1 45 K C 1.000 0.000 0.000 # INVALID # ATOM 46 O OE1 . GLU A 1 7 ? 21.36003 11.92403 -17.65972 1.000 56.53229 ? 2 GLU A OE1 1 # INVALID # ATOM 47 O OE2 . GLU A 1 7 ? 19.30278 12.70301 -17.46122 1.000 39.07602 ? 2 GLU A OE2 1 48 E H 0.000 1.000 0.000 # INVALID # ATOM 49 H HA . GLU A 1 7 ? 20.86085 8.24419 -20.60110 1.000 33.58610 ? 2 GLU A HA 1 50 P H 0.000 1.000 0.000 # INVALID # ATOM 51 H HB3 . GLU A 1 7 ? 21.36861 10.44949 -20.25706 1.000 45.00927 ? 2 GLU A HB3 1 # INVALID # ATOM 52 H HG2 . GLU A 1 7 ? 19.59820 11.72372 -20.04149 1.000 49.26430 ? 2 GLU A HG2 1 53 Q H 0.000 1.000 0.000 # INVALID # ATOM 54 N N . SER A 1 8 ? 19.71700 7.45928 -18.41080 1.000 25.46766 ? 3 SER A N 1 55 D C 1.000 0.000 0.000 56 S C 1.000 0.000 0.000 # INVALID # ATOM 57 O O . SER A 1 8 ? 17.79013 8.82013 -16.95665 1.000 20.27450 ? 3 SER A O 1 58 D C 1.000 0.000 0.000 # INVALID # ATOM 59 O OG . SER A 1 8 ? 20.93241 5.66221 -16.69636 1.000 29.02756 ? 3 SER A OG 1 60 L H 0.000 1.000 0.000 # INVALID # ATOM 61 H HA . SER A 1 8 ? 18.53938 5.94354 -17.88848 1.000 25.82067 ? 3 SER A HA 1 # INVALID # ATOM 62 H HB2 . SER A 1 8 ? 19.92705 6.99686 -15.67693 1.000 32.01336 ? 3 SER A HB2 1 # INVALID # ATOM 63 H HB3 . SER A 1 8 ? 19.21376 5.57940 -15.76326 1.000 32.01336 ? 3 SER A HB3 1 # INVALID # ATOM 64 H HG . SER A 1 8 ? 21.33982 5.31609 -16.04842 1.000 34.86094 ? 3 SER A HG 1 # INVALID # ATOM 65 N N . TYR A 1 9 ? 16.65557 6.91633 -16.64703 1.000 19.69323 ? 4 TYR A N 1 66 R C 1.000 0.000 0.000 67 E C 1.000 0.000 0.000 # INVALID # ATOM 68 O O . TYR A 1 9 ? 14.82341 5.47165 -15.43674 1.000 20.34932 ? 4 TYR A O 1 69 S C 1.000 0.000 0.000 70 Y C 1.000 0.000 0.000 # INVALID # ATOM 71 C CD1 . TYR A 1 9 ? 14.87129 6.44835 -19.32027 1.000 21.93118 ? 4 TYR A CD1 1 72 I C 1.000 0.000 0.000 # INVALID # ATOM 73 C CE1 . TYR A 1 9 ? 14.32944 5.46102 -20.12857 1.000 22.91359 ? 4 TYR A CE1 1 # INVALID # ATOM 74 C CE2 . TYR A 1 9 ? 12.22353 5.76622 -19.07401 1.000 21.61647 ? 4 TYR A CE2 1 75 V C 1.000 0.000 0.000 76 V H 0.000 1.000 0.000 77 D H 0.000 1.000 0.000 78 K H 0.000 1.000 0.000 79 F H 0.000 1.000 0.000 # INVALID # ATOM 80 H HB3 . TYR A 1 9 ? 15.30002 8.71082 -18.01127 1.000 21.38289 ? 4 TYR A HB3 1 81 V H 0.000 1.000 0.000 # INVALID # ATOM 82 H HD2 . TYR A 1 9 ? 12.21338 7.20019 -17.66634 1.000 24.72420 ? 4 TYR A HD2 1 # INVALID # ATOM 83 H HE1 . TYR A 1 9 ? 14.85668 5.02889 -20.76117 1.000 27.52419 ? 4 TYR A HE1 1 84 D H 0.000 1.000 0.000 # INVALID # ATOM 85 H HH . TYR A 1 9 ? 11.62328 4.18931 -20.74567 1.000 35.04609 ? 4 TYR A HH 1 # INVALID # ATOM 86 N N . TRP A 1 10 ? 13.56426 7.24891 -14.84424 1.000 18.72340 ? 5 TRP A N 1 87 K C 1.000 0.000 0.000 88 S C 1.000 0.000 0.000 # INVALID # ATOM 89 O O . TRP A 1 10 ? 10.86608 7.53426 -15.42664 1.000 18.16309 ? 5 TRP A O 1 # INVALID # ATOM 90 C CB . TRP A 1 10 ? 12.31250 7.12861 -12.73871 1.000 20.02859 ? 5 TRP A CB 1 # INVALID # ATOM 91 C CG . TRP A 1 10 ? 13.26787 6.65072 -11.67089 1.000 18.07950 ? 5 TRP A CG 1 92 N C 1.000 0.000 0.000 93 N C 1.000 0.000 0.000 94 K E 0.000 0.000 1.000 95 F C 1.000 0.000 0.000 # INVALID # ATOM 96 C CE3 . TRP A 1 10 ? 15.24130 8.32318 -11.74735 1.000 29.86770 ? 5 TRP A CE3 1 # INVALID # ATOM 97 C CZ2 . TRP A 1 10 ? 16.25498 6.74127 -9.61813 1.000 30.75603 ? 5 TRP A CZ2 1 # INVALID # ATOM 98 C CZ3 . TRP A 1 10 ? 16.47920 8.59898 -11.14150 1.000 29.70013 ? 5 TRP A CZ3 1 # INVALID # ATOM 99 C CH2 . TRP A 1 10 ? 16.96612 7.81053 -10.08345 1.000 36.07594 ? 5 TRP A CH2 1 # INVALID # ATOM 100 H H . TRP A 1 10 ? 13.43043 8.09823 -14.82582 1.000 22.49596 ? 5 TRP A H 1 # INVALID # ATOM 101 H HA . TRP A 1 10 ? 12.85811 5.58272 -13.96822 1.000 21.64322 ? 5 TRP A HA 1 # INVALID # ATOM 102 H HB2 . TRP A 1 10 ? 12.41029 8.09058 -12.81588 1.000 24.06218 ? 5 TRP A HB2 1 103 T H 0.000 1.000 0.000 # INVALID # ATOM 104 H HD1 . TRP A 1 10 ? 12.32602 5.04672 -10.83254 1.000 29.92496 ? 5 TRP A HD1 1 # INVALID # ATOM 105 H HE1 . TRP A 1 10 ? 14.22251 4.84735 -9.39296 1.000 36.61809 ? 5 TRP A HE1 1 106 A H 0.000 1.000 0.000 107 A H 0.000 1.000 0.000 # INVALID # ATOM 108 H HZ3 . TRP A 1 10 ? 16.98613 9.31671 -11.44612 1.000 35.66804 ? 5 TRP A HZ3 1 109 A H 0.000 1.000 0.000 110 A E 0.000 0.000 1.000 111 A C 1.000 0.000 0.000 112 A C 1.000 0.000 0.000 113 A E 0.000 0.000 1.000 114 A C 1.000 0.000 0.000 115 A C 1.000 0.000 0.000 # INVALID # ATOM 116 O OD1 . ASP A 1 11 ? 7.16160 4.05457 -17.01327 1.000 28.83718 ? 6 ASP A OD1 1 # INVALID # ATOM 117 O OD2 . ASP A 1 11 ? 8.26307 2.99704 -18.55112 1.000 29.61196 ? 6 ASP A OD2 1 118 A H 0.000 1.000 0.000 119 A H 0.000 1.000 0.000 120 A H 0.000 1.000 0.000 121 A H 0.000 1.000 0.000 122 A C 1.000 0.000 0.000 123 A C 1.000 0.000 0.000 124 A C 1.000 0.000 0.000 125 A C 1.000 0.000 0.000 126 A C 1.000 0.000 0.000 127 A E 0.000 0.000 1.000 128 A H 0.000 1.000 0.000 129 A H 0.000 1.000 0.000 # INVALID # ATOM 130 H HB2 . CYS A 1 12 ? 6.51739 8.32669 -13.83200 1.000 20.01802 ? 7 CYS A HB2 1 131 A H 0.000 1.000 0.000 132 A E 0.000 0.000 1.000 133 A C 1.000 0.000 0.000 134 A C 1.000 0.000 0.000 135 A E 0.000 0.000 1.000 136 A C 1.000 0.000 0.000 137 A C 1.000 0.000 0.000 138 A C 1.000 0.000 0.000 139 A C 1.000 0.000 0.000 140 A E 0.000 0.000 1.000 141 P H 0.000 1.000 0.000 142 H H 0.000 1.000 0.000 143 P H 0.000 1.000 0.000 144 T H 0.000 1.000 0.000 145 R H 0.000 1.000 0.000 146 T H 0.000 1.000 0.000 147 I H 0.000 1.000 0.000 148 A H 0.000 1.000 0.000 149 I H 0.000 1.000 0.000 150 D H 0.000 1.000 0.000 151 P H 0.000 1.000 0.000 152 C H 0.000 1.000 0.000 153 L H 0.000 1.000 0.000 # INVALID # ATOM 154 N N . GLY A 1 14 ? 4.70438 5.12213 -17.57869 1.000 19.47475 ? 9 GLY A N 1 155 A C 1.000 0.000 0.000 156 L C 1.000 0.000 0.000 # INVALID # ATOM 157 O O . GLY A 1 14 ? 6.01385 7.13633 -20.24152 1.000 20.84859 ? 9 GLY A O 1 158 A H 0.000 1.000 0.000 159 E H 0.000 1.000 0.000 160 A H 0.000 1.000 0.000 161 T E 0.000 0.000 1.000 162 E C 1.000 0.000 0.000 163 L C 1.000 0.000 0.000 164 V E 0.000 0.000 1.000 165 G C 1.000 0.000 0.000 166 I C 1.000 0.000 0.000 167 Y C 1.000 0.000 0.000 168 G C 1.000 0.000 0.000 169 K H 0.000 1.000 0.000 170 R H 0.000 1.000 0.000 171 D H 0.000 1.000 0.000 172 Q H 0.000 1.000 0.000 173 G H 0.000 1.000 0.000 174 L H 0.000 1.000 0.000 175 M H 0.000 1.000 0.000 176 R H 0.000 1.000 0.000 177 L H 0.000 1.000 0.000 178 L H 0.000 1.000 0.000 179 S H 0.000 1.000 0.000 # INVALID # ATOM 180 N N . PRO A 1 16 ? 8.51572 9.32654 -18.53464 1.000 19.02352 ? 11 PRO A N 1 181 E C 1.000 0.000 0.000 182 G C 1.000 0.000 0.000 # INVALID # ATOM 183 O O . PRO A 1 16 ? 10.01375 11.63436 -17.65204 1.000 25.98712 ? 11 PRO A O 1 184 D C 1.000 0.000 0.000 185 A C 1.000 0.000 0.000 186 S C 1.000 0.000 0.000 187 N H 0.000 1.000 0.000 188 K H 0.000 1.000 0.000 189 R H 0.000 1.000 0.000 190 L H 0.000 1.000 0.000 191 K H 0.000 1.000 0.000 192 K H 0.000 1.000 0.000 193 V H 0.000 1.000 0.000 194 S E 0.000 0.000 1.000 195 I C 1.000 0.000 0.000 196 V C 1.000 0.000 0.000 197 G E 0.000 0.000 1.000 198 F C 1.000 0.000 0.000 199 G C 1.000 0.000 0.000 200 G C 1.000 0.000 0.000 201 L C 1.000 0.000 0.000 202 G H 0.000 1.000 0.000 203 K H 0.000 1.000 0.000 204 T H 0.000 1.000 0.000 205 T H 0.000 1.000 0.000 206 L H 0.000 1.000 0.000 207 A H 0.000 1.000 0.000 208 R H 0.000 1.000 0.000 209 A H 0.000 1.000 0.000 210 V H 0.000 1.000 0.000 211 Y H 0.000 1.000 0.000 212 E H 0.000 1.000 0.000 213 K E 0.000 0.000 1.000 214 I C 1.000 0.000 0.000 215 K C 1.000 0.000 0.000 216 G E 0.000 0.000 1.000 217 D C 1.000 0.000 0.000 218 F C 1.000 0.000 0.000 219 D C 1.000 0.000 0.000 220 C C 1.000 0.000 0.000 221 R H 0.000 1.000 0.000 222 A H 0.000 1.000 0.000 223 F H 0.000 1.000 0.000 224 V H 0.000 1.000 0.000 225 P H 0.000 1.000 0.000 226 V H 0.000 1.000 0.000 227 G H 0.000 1.000 0.000 228 Q H 0.000 1.000 0.000 229 N H 0.000 1.000 0.000 230 P H 0.000 1.000 0.000 231 D H 0.000 1.000 0.000 232 M H 0.000 1.000 0.000 233 K C 1.000 0.000 0.000 234 K C 1.000 0.000 0.000 235 V H 0.000 1.000 0.000 236 L C 1.000 0.000 0.000 237 R C 1.000 0.000 0.000 238 D C 1.000 0.000 0.000 239 I C 1.000 0.000 0.000 240 L C 1.000 0.000 0.000 241 I C 1.000 0.000 0.000 242 D C 1.000 0.000 0.000 243 L H 0.000 1.000 0.000 244 G H 0.000 1.000 0.000 245 N H 0.000 1.000 0.000 246 P H 0.000 1.000 0.000 247 H H 0.000 1.000 0.000 248 S H 0.000 1.000 0.000 249 D H 0.000 1.000 0.000 250 L H 0.000 1.000 0.000 251 A H 0.000 1.000 0.000 # INVALID # ATOM 252 N N . ARG A 1 20 ? 18.63175 13.59549 -14.45171 1.000 25.83033 ? 15 ARG A N 1 253 L C 1.000 0.000 0.000 254 D C 1.000 0.000 0.000 # INVALID # ATOM 255 O O . ARG A 1 20 ? 18.23345 16.49924 -12.42626 1.000 25.10040 ? 15 ARG A O 1 256 N C 1.000 0.000 0.000 257 Q C 1.000 0.000 0.000 258 L C 1.000 0.000 0.000 259 I E 0.000 0.000 1.000 260 K C 1.000 0.000 0.000 261 K H 0.000 1.000 0.000 262 L H 0.000 1.000 0.000 263 H H 0.000 1.000 0.000 264 E H 0.000 1.000 0.000 265 F H 0.000 1.000 0.000 266 L H 0.000 1.000 0.000 267 E H 0.000 1.000 0.000 268 N H 0.000 1.000 0.000 269 K H 0.000 1.000 0.000 270 R H 0.000 1.000 0.000 271 Y H 0.000 1.000 0.000 272 L H 0.000 1.000 0.000 273 V H 0.000 1.000 0.000 274 I H 0.000 1.000 0.000 275 I H 0.000 1.000 0.000 276 D H 0.000 1.000 0.000 277 D C 1.000 0.000 0.000 278 I C 1.000 0.000 0.000 279 W H 0.000 1.000 0.000 280 D C 1.000 0.000 0.000 # INVALID # ATOM 281 O OG1 . THR A 1 21 ? 14.32200 16.20023 -14.97687 1.000 30.21605 ? 16 THR A OG1 1 282 K C 1.000 0.000 0.000 283 L H 0.000 1.000 0.000 284 W H 0.000 1.000 0.000 285 E H 0.000 1.000 0.000 286 G H 0.000 1.000 0.000 287 I H 0.000 1.000 0.000 288 N H 0.000 1.000 0.000 289 F H 0.000 1.000 0.000 # INVALID # ATOM 290 N N . VAL A 1 22 ? 15.67742 14.25565 -11.28267 1.000 18.32305 ? 17 VAL A N 1 291 F C 1.000 0.000 0.000 292 S C 1.000 0.000 0.000 # INVALID # ATOM 293 O O . VAL A 1 22 ? 16.66380 14.56430 -7.96022 1.000 21.33796 ? 17 VAL A O 1 294 R C 1.000 0.000 0.000 295 N C 1.000 0.000 0.000 296 N C 1.000 0.000 0.000 297 L H 0.000 1.000 0.000 298 G H 0.000 1.000 0.000 299 S H 0.000 1.000 0.000 300 R H 0.000 1.000 0.000 301 L H 0.000 1.000 0.000 302 I H 0.000 1.000 0.000 303 T H 0.000 1.000 0.000 304 T H 0.000 1.000 0.000 305 T H 0.000 1.000 0.000 306 R H 0.000 1.000 0.000 307 I C 1.000 0.000 0.000 308 V C 1.000 0.000 0.000 309 S H 0.000 1.000 0.000 310 V C 1.000 0.000 0.000 311 S C 1.000 0.000 0.000 # INVALID # ATOM 312 N ND1 . HIS A 1 23 ? 20.09659 12.01383 -9.08612 1.000 39.76745 ? 18 HIS A ND1 1 313 S C 1.000 0.000 0.000 314 C C 1.000 0.000 0.000 315 C E 0.000 0.000 1.000 316 S H 0.000 1.000 0.000 317 S H 0.000 1.000 0.000 318 D H 0.000 1.000 0.000 319 G H 0.000 1.000 0.000 320 D H 0.000 1.000 0.000 321 S H 0.000 1.000 0.000 322 V H 0.000 1.000 0.000 # INVALID # ATOM 323 N N . ALA A 1 24 ? 18.43692 16.99574 -9.47061 1.000 20.22223 ? 19 ALA A N 1 324 Q C 1.000 0.000 0.000 325 M C 1.000 0.000 0.000 # INVALID # ATOM 326 O O . ALA A 1 24 ? 17.33234 19.35797 -7.09572 1.000 21.59831 ? 19 ALA A O 1 327 P C 1.000 0.000 0.000 328 L H 0.000 1.000 0.000 329 S H 0.000 1.000 0.000 330 V H 0.000 1.000 0.000 331 D H 0.000 1.000 0.000 332 D H 0.000 1.000 0.000 # INVALID # ATOM 333 N N . ALA A 1 25 ? 16.18692 17.61897 -7.94972 1.000 17.97259 ? 20 ALA A N 1 334 R C 1.000 0.000 0.000 20 K C 1.000 0.000 0.000 335 M C 1.000 0.000 0.000 # INVALID # ATOM 336 O O . ALA A 1 25 ? 15.55572 17.83368 -4.50483 1.000 18.04447 ? 20 ALA A O 1 337 F C 1.000 0.000 0.000 338 Y H 0.000 1.000 0.000 339 K H 0.000 1.000 0.000 340 R H 0.000 1.000 0.000 341 I H 0.000 1.000 0.000 342 F H 0.000 1.000 0.000 # INVALID # ATOM 343 N N . VAL A 1 26 ? 16.70878 16.23864 -5.57975 1.000 18.26273 ? 21 VAL A N 1 344 D C 1.000 0.000 0.000 345 E C 1.000 0.000 0.000 # INVALID # ATOM 346 O O . VAL A 1 26 ? 18.30306 17.27078 -2.66815 1.000 18.16281 ? 21 VAL A O 1 347 A C 1.000 0.000 0.000 348 C C 1.000 0.000 0.000 349 I C 1.000 0.000 0.000 350 N H 0.000 1.000 0.000 351 E H 0.000 1.000 0.000 352 F H 0.000 1.000 0.000 353 E H 0.000 1.000 0.000 354 Q H 0.000 1.000 0.000 355 V H 0.000 1.000 0.000 356 S H 0.000 1.000 0.000 357 R H 0.000 1.000 0.000 358 D H 0.000 1.000 0.000 # INVALID # ATOM 359 N N . GLU A 1 27 ? 19.03253 17.58024 -4.77341 1.000 20.52452 ? 22 GLU A N 1 360 L C 1.000 0.000 0.000 361 K C 1.000 0.000 0.000 # INVALID # ATOM 362 O O . GLU A 1 27 ? 19.43975 20.36404 -2.68794 1.000 19.52378 ? 22 GLU A O 1 363 C C 1.000 0.000 0.000 364 G C 1.000 0.000 0.000 365 G C 1.000 0.000 0.000 366 V E 0.000 0.000 1.000 367 P E 0.000 0.000 1.000 368 L H 0.000 1.000 0.000 369 A H 0.000 1.000 0.000 370 I H 0.000 1.000 0.000 371 I H 0.000 1.000 0.000 372 T H 0.000 1.000 0.000 373 I H 0.000 1.000 0.000 374 A E 0.000 0.000 1.000 375 S C 1.000 0.000 0.000 376 A C 1.000 0.000 0.000 377 L E 0.000 0.000 1.000 378 A C 1.000 0.000 0.000 379 G C 1.000 0.000 0.000 380 D C 1.000 0.000 0.000 381 Q C 1.000 0.000 0.000 382 K H 0.000 1.000 0.000 383 M H 0.000 1.000 0.000 384 K H 0.000 1.000 0.000 385 P H 0.000 1.000 0.000 386 K H 0.000 1.000 0.000 387 C H 0.000 1.000 0.000 388 E H 0.000 1.000 0.000 389 W H 0.000 1.000 0.000 390 D H 0.000 1.000 0.000 391 I H 0.000 1.000 0.000 392 L H 0.000 1.000 0.000 # INVALID # ATOM 393 N N . ALA A 1 29 ? 16.12418 19.38919 -2.20327 1.000 17.88804 ? 24 ALA A N 1 394 R C 1.000 0.000 0.000 395 S C 1.000 0.000 0.000 # INVALID # ATOM 396 O O . ALA A 1 29 ? 16.22777 19.45781 1.29208 1.000 16.74852 ? 24 ALA A O 1 397 G C 1.000 0.000 0.000 398 S H 0.000 1.000 0.000 399 G H 0.000 1.000 0.000 400 L H 0.000 1.000 0.000 401 T H 0.000 1.000 0.000 402 E H 0.000 1.000 0.000 403 D H 0.000 1.000 0.000 404 N C 1.000 0.000 0.000 405 S C 1.000 0.000 0.000 406 L H 0.000 1.000 0.000 407 E C 1.000 0.000 0.000 408 E C 1.000 0.000 0.000 409 M C 1.000 0.000 0.000 410 R C 1.000 0.000 0.000 411 R C 1.000 0.000 0.000 412 I C 1.000 0.000 0.000 413 L C 1.000 0.000 0.000 414 S H 0.000 1.000 0.000 415 F H 0.000 1.000 0.000 416 S H 0.000 1.000 0.000 417 Y H 0.000 1.000 0.000 418 S H 0.000 1.000 0.000 419 N H 0.000 1.000 0.000 420 L H 0.000 1.000 0.000 421 P H 0.000 1.000 0.000 422 S H 0.000 1.000 0.000 423 N H 0.000 1.000 0.000 424 L C 1.000 0.000 0.000 425 K C 1.000 0.000 0.000 426 T H 0.000 1.000 0.000 427 C C 1.000 0.000 0.000 # INVALID # ATOM 428 O OG1 . THR A 1 31 ? 19.30575 23.15684 -1.86846 1.000 23.10619 ? 26 THR A OG1 1 429 L C 1.000 0.000 0.000 430 Y H 0.000 1.000 0.000 431 L H 0.000 1.000 0.000 432 C H 0.000 1.000 0.000 433 V H 0.000 1.000 0.000 434 Y H 0.000 1.000 0.000 435 P H 0.000 1.000 0.000 436 E H 0.000 1.000 0.000 437 D E 0.000 0.000 1.000 438 S C 1.000 0.000 0.000 439 M C 1.000 0.000 0.000 440 I E 0.000 0.000 1.000 441 S C 1.000 0.000 0.000 442 R E 0.000 0.000 1.000 443 D H 0.000 1.000 0.000 444 K H 0.000 1.000 0.000 445 L H 0.000 1.000 0.000 446 I H 0.000 1.000 0.000 447 W H 0.000 1.000 0.000 # INVALID # ATOM 448 N N . GLN A 1 33 ? 15.37509 23.96986 4.13266 1.000 18.25363 ? 28 GLN A N 1 449 W C 1.000 0.000 0.000 450 V C 1.000 0.000 0.000 # INVALID # ATOM 451 O O . GLN A 1 33 ? 12.84195 22.93917 4.51000 1.000 15.94565 ? 28 GLN A O 1 452 E C 1.000 0.000 0.000 453 G C 1.000 0.000 0.000 454 F C 1.000 0.000 0.000 455 V E 0.000 0.000 1.000 456 H E 0.000 0.000 1.000 457 H H 0.000 1.000 0.000 458 E H 0.000 1.000 0.000 459 N H 0.000 1.000 0.000 460 Q H 0.000 1.000 0.000 461 G H 0.000 1.000 0.000 462 N H 0.000 1.000 0.000 463 S H 0.000 1.000 0.000 464 L H 0.000 1.000 0.000 # INVALID # ATOM 465 N N . PRO A 1 34 ? 13.56857 21.67860 6.22290 1.000 19.72557 ? 29 PRO A N 1 466 L C 1.000 0.000 0.000 467 L C 1.000 0.000 0.000 # INVALID # ATOM 468 O O . PRO A 1 34 ? 10.89512 22.54626 6.97650 1.000 17.89230 ? 29 PRO A O 1 469 L C 1.000 0.000 0.000 470 N C 1.000 0.000 0.000 471 Y C 1.000 0.000 0.000 472 F H 0.000 1.000 0.000 473 N H 0.000 1.000 0.000 474 Q H 0.000 1.000 0.000 475 L H 0.000 1.000 0.000 476 I H 0.000 1.000 0.000 477 N H 0.000 1.000 0.000 478 R H 0.000 1.000 0.000 # INVALID # ATOM 479 N N . GLY A 1 35 ? 10.21248 21.31143 5.24106 1.000 15.60956 ? 30 GLY A N 1 480 M C 1.000 0.000 0.000 481 I C 1.000 0.000 0.000 # INVALID # ATOM 482 O O . GLY A 1 35 ? 7.71641 23.74430 4.20150 1.000 17.33081 ? 30 GLY A O 1 483 P H 0.000 1.000 0.000 484 I H 0.000 1.000 0.000 485 Y H 0.000 1.000 0.000 486 N E 0.000 0.000 1.000 487 Y C 1.000 0.000 0.000 488 S C 1.000 0.000 0.000 489 G E 0.000 0.000 1.000 490 E C 1.000 0.000 0.000 491 A E 0.000 0.000 1.000 492 Y H 0.000 1.000 0.000 493 A H 0.000 1.000 0.000 494 C H 0.000 1.000 0.000 495 R H 0.000 1.000 0.000 496 V H 0.000 1.000 0.000 497 H E 0.000 0.000 1.000 498 D C 1.000 0.000 0.000 499 M C 1.000 0.000 0.000 500 V E 0.000 0.000 1.000 501 L C 1.000 0.000 0.000 502 D C 1.000 0.000 0.000 503 L C 1.000 0.000 0.000 504 I C 1.000 0.000 0.000 505 C H 0.000 1.000 0.000 506 N H 0.000 1.000 0.000 507 L H 0.000 1.000 0.000 508 S H 0.000 1.000 0.000 509 N H 0.000 1.000 0.000 510 E H 0.000 1.000 0.000 511 A H 0.000 1.000 0.000 512 K H 0.000 1.000 0.000 513 F H 0.000 1.000 0.000 514 V H 0.000 1.000 0.000 515 N H 0.000 1.000 0.000 516 L E 0.000 0.000 1.000 517 L C 1.000 0.000 0.000 518 D C 1.000 0.000 0.000 519 G E 0.000 0.000 1.000 520 T C 1.000 0.000 0.000 521 G E 0.000 0.000 1.000 522 N H 0.000 1.000 0.000 523 S H 0.000 1.000 0.000 524 M H 0.000 1.000 0.000 525 S H 0.000 1.000 0.000 526 S H 0.000 1.000 0.000 # INVALID # ATOM 527 N N . GLY A 1 39 ? 5.76639 22.85758 2.22468 1.000 16.48882 ? 34 GLY A N 1 528 S C 1.000 0.000 0.000 529 N C 1.000 0.000 0.000 # INVALID # ATOM 530 O O . GLY A 1 39 ? 6.66658 19.63105 3.58693 1.000 16.52218 ? 34 GLY A O 1 531 R H 0.000 1.000 0.000 532 R H 0.000 1.000 0.000 533 L H 0.000 1.000 0.000 # INVALID # ATOM 534 N N . TYR A 1 40 ? 7.58406 20.82397 1.94714 1.000 15.44259 ? 35 TYR A N 1 535 L C 1.000 0.000 0.000 536 Q C 1.000 0.000 0.000 # INVALID # ATOM 537 O O . TYR A 1 40 ? 10.04267 21.76313 1.60248 1.000 16.51768 ? 35 TYR A O 1 538 R C 1.000 0.000 0.000 539 N C 1.000 0.000 0.000 540 E C 1.000 0.000 0.000 541 D C 1.000 0.000 0.000 542 H C 1.000 0.000 0.000 543 Q C 1.000 0.000 0.000 544 A C 1.000 0.000 0.000 545 R H 0.000 1.000 0.000 546 P H 0.000 1.000 0.000 547 F H 0.000 1.000 0.000 548 T H 0.000 1.000 0.000 549 D H 0.000 1.000 0.000 550 I H 0.000 1.000 0.000 551 K H 0.000 1.000 0.000 552 S H 0.000 1.000 0.000 553 M H 0.000 1.000 0.000 554 S H 0.000 1.000 0.000 # INVALID # ATOM 555 N N . PRO A 1 41 ? 11.01890 19.78340 1.82567 1.000 13.22429 ? 36 PRO A N 1 556 V C 1.000 0.000 0.000 557 R C 1.000 0.000 0.000 # INVALID # ATOM 558 O O . PRO A 1 41 ? 10.49791 18.61223 4.32602 1.000 15.68022 ? 36 PRO A O 1 559 I C 1.000 0.000 0.000 560 T C 1.000 0.000 0.000 561 I C 1.000 0.000 0.000 562 F H 0.000 1.000 0.000 563 P H 0.000 1.000 0.000 564 S H 0.000 1.000 0.000 565 A H 0.000 1.000 0.000 566 I H 0.000 1.000 0.000 567 E H 0.000 1.000 0.000 568 V H 0.000 1.000 0.000 569 M E 0.000 0.000 1.000 570 P C 1.000 0.000 0.000 571 S C 1.000 0.000 0.000 572 L E 0.000 0.000 1.000 573 S C 1.000 0.000 0.000 574 R E 0.000 0.000 1.000 575 F H 0.000 1.000 0.000 576 D H 0.000 1.000 0.000 577 V H 0.000 1.000 0.000 578 L H 0.000 1.000 0.000 579 R H 0.000 1.000 0.000 580 V E 0.000 0.000 1.000 581 L C 1.000 0.000 0.000 582 D C 1.000 0.000 0.000 583 L E 0.000 0.000 1.000 584 S C 1.000 0.000 0.000 585 R C 1.000 0.000 0.000 586 C C 1.000 0.000 0.000 587 N C 1.000 0.000 0.000 588 L H 0.000 1.000 0.000 589 G H 0.000 1.000 0.000 590 E H 0.000 1.000 0.000 591 N H 0.000 1.000 0.000 592 S H 0.000 1.000 0.000 593 S H 0.000 1.000 0.000 594 M H 0.000 1.000 0.000 595 Q H 0.000 1.000 0.000 596 L H 0.000 1.000 0.000 597 N H 0.000 1.000 0.000 598 L H 0.000 1.000 0.000 599 K C 1.000 0.000 0.000 39 M C 1.000 0.000 0.000 600 G C 1.000 0.000 0.000 601 V C 1.000 0.000 0.000 602 G C 1.000 0.000 0.000 603 H C 1.000 0.000 0.000 604 L E 0.000 0.000 1.000 # INVALID # ATOM 605 N N . PRO A 1 53 ? 22.32004 5.87192 10.85165 1.000 51.52869 ? 48 PRO A N 1 606 H C 1.000 0.000 0.000 607 L C 1.000 0.000 0.000 # INVALID # ATOM 608 O O . PRO A 1 53 ? 22.90973 8.53180 9.28794 1.000 45.63425 ? 48 PRO A O 1 609 Y C 1.000 0.000 0.000 610 L C 1.000 0.000 0.000 611 G C 1.000 0.000 0.000 612 L E 0.000 0.000 1.000 613 E C 1.000 0.000 0.000 614 G C 1.000 0.000 0.000 615 T E 0.000 0.000 1.000 616 N C 1.000 0.000 0.000 617 I C 1.000 0.000 0.000 # INVALID # ATOM 618 O OD1 . ASP A 1 54 ? 22.54901 9.07382 4.71949 1.000 42.03355 ? 49 ASP A OD1 1 # INVALID # ATOM 619 O OD2 . ASP A 1 54 ? 22.80902 7.04771 3.85448 1.000 47.39729 ? 49 ASP A OD2 1 # INVALID # ATOM 620 N N . GLU A 1 55 ? 20.08911 10.33411 6.74078 1.000 31.83659 ? 50 GLU A N 1 621 P C 1.000 0.000 0.000 622 A C 1.000 0.000 0.000 # INVALID # ATOM 623 O O . GLU A 1 55 ? 18.88074 11.35539 4.24381 1.000 21.35882 ? 50 GLU A O 1 624 I C 1.000 0.000 0.000 625 G C 1.000 0.000 0.000 626 K C 1.000 0.000 0.000 627 L E 0.000 0.000 1.000 628 Q E 0.000 0.000 1.000 629 F H 0.000 1.000 0.000 630 L H 0.000 1.000 0.000 631 E H 0.000 1.000 0.000 632 V H 0.000 1.000 0.000 633 L H 0.000 1.000 0.000 634 D H 0.000 1.000 0.000 # INVALID # ATOM 635 N N . ARG A 1 56 ? 16.98862 10.62927 5.21952 1.000 22.98792 ? 51 ARG A N 1 636 E C 1.000 0.000 0.000 637 N C 1.000 0.000 0.000 # INVALID # ATOM 638 O O . ARG A 1 56 ? 14.43405 11.80000 4.87497 1.000 21.68367 ? 51 ARG A O 1 639 H C 1.000 0.000 0.000 640 N C 1.000 0.000 0.000 641 L C 1.000 0.000 0.000 642 K E 0.000 0.000 1.000 643 E C 1.000 0.000 0.000 644 L H 0.000 1.000 0.000 645 P H 0.000 1.000 0.000 646 S H 0.000 1.000 0.000 647 T H 0.000 1.000 0.000 648 V H 0.000 1.000 0.000 649 C H 0.000 1.000 0.000 650 N H 0.000 1.000 0.000 651 F H 0.000 1.000 0.000 652 R H 0.000 1.000 0.000 653 R H 0.000 1.000 0.000 654 L H 0.000 1.000 0.000 655 I H 0.000 1.000 0.000 656 Y H 0.000 1.000 0.000 657 L H 0.000 1.000 0.000 658 N H 0.000 1.000 0.000 # INVALID # ATOM 659 N N . ARG A 1 57 ? 15.13257 12.25896 2.78651 1.000 15.23375 ? 52 ARG A N 1 660 V C 1.000 0.000 0.000 661 G C 1.000 0.000 0.000 # INVALID # ATOM 662 O O . ARG A 1 57 ? 13.68616 12.32678 0.44011 1.000 16.04192 ? 52 ARG A O 1 663 Q C 1.000 0.000 0.000 664 V C 1.000 0.000 0.000 665 V C 1.000 0.000 0.000 666 P E 0.000 0.000 1.000 667 P C 1.000 0.000 0.000 668 V H 0.000 1.000 0.000 669 G H 0.000 1.000 0.000 670 V H 0.000 1.000 0.000 671 L H 0.000 1.000 0.000 672 Q H 0.000 1.000 0.000 673 N H 0.000 1.000 0.000 674 L H 0.000 1.000 0.000 675 T H 0.000 1.000 0.000 676 S H 0.000 1.000 0.000 677 I H 0.000 1.000 0.000 678 E H 0.000 1.000 0.000 679 V H 0.000 1.000 0.000 680 L H 0.000 1.000 0.000 681 S H 0.000 1.000 0.000 682 G H 0.000 1.000 0.000 # INVALID # ATOM 683 N N . GLN A 1 58 ? 12.02240 13.41285 1.50290 1.000 15.57205 ? 53 GLN A N 1 684 L C 1.000 0.000 0.000 685 V C 1.000 0.000 0.000 # INVALID # ATOM 686 O O . GLN A 1 58 ? 10.53916 15.53529 0.60241 1.000 15.41960 ? 53 GLN A O 1 687 L C 1.000 0.000 0.000 688 N C 1.000 0.000 0.000 689 I C 1.000 0.000 0.000 690 I E 0.000 0.000 1.000 691 A E 0.000 0.000 1.000 692 Q H 0.000 1.000 0.000 693 E H 0.000 1.000 0.000 694 L H 0.000 1.000 0.000 695 G H 0.000 1.000 0.000 696 N H 0.000 1.000 0.000 697 L H 0.000 1.000 0.000 698 K H 0.000 1.000 0.000 699 R H 0.000 1.000 0.000 700 L H 0.000 1.000 0.000 701 R C 1.000 0.000 0.000 702 E C 1.000 0.000 0.000 703 L H 0.000 1.000 0.000 704 N C 1.000 0.000 0.000 705 I C 1.000 0.000 0.000 706 L C 1.000 0.000 0.000 707 F C 1.000 0.000 0.000 708 N C 1.000 0.000 0.000 709 D C 1.000 0.000 0.000 710 G C 1.000 0.000 0.000 711 S H 0.000 1.000 0.000 712 L H 0.000 1.000 0.000 713 D H 0.000 1.000 0.000 714 L H 0.000 1.000 0.000 715 Y H 0.000 1.000 0.000 716 E H 0.000 1.000 0.000 717 G H 0.000 1.000 0.000 718 F H 0.000 1.000 0.000 719 V H 0.000 1.000 0.000 # INVALID # ATOM 720 N N . PRO A 1 60 ? 8.86965 16.51671 -3.89892 1.000 13.76394 ? 55 PRO A N 1 721 S C 1.000 0.000 0.000 722 L C 1.000 0.000 0.000 # INVALID # ATOM 723 O O . PRO A 1 60 ? 9.97677 17.30935 -6.41868 1.000 19.84373 ? 55 PRO A O 1 724 N C 1.000 0.000 0.000 725 L C 1.000 0.000 0.000 726 H C 1.000 0.000 0.000 727 H H 0.000 1.000 0.000 728 I H 0.000 1.000 0.000 729 E H 0.000 1.000 0.000 730 S H 0.000 1.000 0.000 731 L H 0.000 1.000 0.000 732 I H 0.000 1.000 0.000 733 I H 0.000 1.000 0.000 734 G E 0.000 0.000 1.000 735 C C 1.000 0.000 0.000 736 N C 1.000 0.000 0.000 737 S E 0.000 0.000 1.000 738 R C 1.000 0.000 0.000 739 E C 1.000 0.000 0.000 740 T C 1.000 0.000 0.000 741 S C 1.000 0.000 0.000 742 S H 0.000 1.000 0.000 743 F H 0.000 1.000 0.000 744 E H 0.000 1.000 0.000 745 L H 0.000 1.000 0.000 746 M H 0.000 1.000 0.000 747 D H 0.000 1.000 0.000 748 L H 0.000 1.000 0.000 749 L H 0.000 1.000 0.000 750 G H 0.000 1.000 0.000 751 E H 0.000 1.000 0.000 752 R H 0.000 1.000 0.000 753 W H 0.000 1.000 0.000 754 V C 1.000 0.000 0.000 755 P C 1.000 0.000 0.000 756 P H 0.000 1.000 0.000 757 V C 1.000 0.000 0.000 # INVALID # ATOM 758 O OG1 . THR A 1 62 ? 8.82138 18.94930 -13.07452 1.000 37.21376 ? 57 THR A OG1 1 759 F C 1.000 0.000 0.000 760 R H 0.000 1.000 0.000 761 E H 0.000 1.000 0.000 762 F H 0.000 1.000 0.000 763 V H 0.000 1.000 0.000 764 S H 0.000 1.000 0.000 765 S H 0.000 1.000 0.000 766 M H 0.000 1.000 0.000 767 P E 0.000 0.000 1.000 768 S C 1.000 0.000 0.000 769 Q C 1.000 0.000 0.000 770 L E 0.000 0.000 1.000 771 S C 1.000 0.000 0.000 772 A C 1.000 0.000 0.000 # INVALID # ATOM 773 O OD1 . ASP A 1 63 ? 5.15717 16.90323 -15.57334 1.000 47.86459 ? 58 ASP A OD1 1 # INVALID # ATOM 774 O OD2 . ASP A 1 63 ? 3.84632 15.34566 -16.43197 1.000 52.80154 ? 58 ASP A OD2 1 775 G H 0.000 1.000 0.000 776 W H 0.000 1.000 0.000 777 I H 0.000 1.000 0.000 778 K H 0.000 1.000 0.000 779 R H 0.000 1.000 0.000 780 D C 1.000 0.000 0.000 781 P C 1.000 0.000 0.000 782 S H 0.000 1.000 0.000 783 H C 1.000 0.000 0.000 # INVALID # ATOM 784 O OG1 . THR A 1 64 ? 7.96023 21.00568 -17.76688 1.000 58.23900 ? 59 THR A OG1 1 785 S C 1.000 0.000 0.000 786 N H 0.000 1.000 0.000 787 L H 0.000 1.000 0.000 788 S H 0.000 1.000 0.000 789 E H 0.000 1.000 0.000 790 L H 0.000 1.000 0.000 791 I H 0.000 1.000 0.000 792 L H 0.000 1.000 0.000 # INVALID # ATOM 793 N N . GLY A 1 65 ? 10.45469 18.39296 -16.08560 1.000 47.46620 ? 60 GLY A N 1 794 S C 1.000 0.000 0.000 795 V C 1.000 0.000 0.000 # INVALID # ATOM 796 O O . GLY A 1 65 ? 12.94349 20.29267 -14.31042 1.000 45.23876 ? 60 GLY A O 1 797 E H 0.000 1.000 0.000 798 V H 0.000 1.000 0.000 799 Q H 0.000 1.000 0.000 # INVALID # ATOM 800 N N . ALA A 1 66 ? 10.82962 20.80571 -14.92354 1.000 38.51682 ? 61 ALA A N 1 801 D C 1.000 0.000 0.000 802 D C 1.000 0.000 0.000 # INVALID # ATOM 803 O O . ALA A 1 66 ? 10.32110 20.61669 -12.23918 1.000 33.75340 ? 61 ALA A O 1 804 V C 1.000 0.000 0.000 805 I H 0.000 1.000 0.000 806 I H 0.000 1.000 0.000 807 G H 0.000 1.000 0.000 808 A H 0.000 1.000 0.000 809 L H 0.000 1.000 0.000 # INVALID # ATOM 810 N N . ARG A 1 67 ? 11.40246 22.53725 -11.83531 1.000 34.78049 ? 62 ARG A N 1 811 S C 1.000 0.000 0.000 812 L C 1.000 0.000 0.000 # INVALID # ATOM 813 O O . ARG A 1 67 ? 9.06327 23.12591 -10.59263 1.000 30.53050 ? 62 ARG A O 1 814 R C 1.000 0.000 0.000 815 L C 1.000 0.000 0.000 816 C C 1.000 0.000 0.000 817 I E 0.000 0.000 1.000 818 K C 1.000 0.000 0.000 819 S H 0.000 1.000 0.000 820 T H 0.000 1.000 0.000 821 Y H 0.000 1.000 0.000 822 Q H 0.000 1.000 0.000 823 T H 0.000 1.000 0.000 824 Q H 0.000 1.000 0.000 825 R H 0.000 1.000 0.000 826 L H 0.000 1.000 0.000 827 L H 0.000 1.000 0.000 828 V H 0.000 1.000 0.000 829 I H 0.000 1.000 0.000 830 P H 0.000 1.000 0.000 831 A H 0.000 1.000 0.000 832 D H 0.000 1.000 0.000 833 G H 0.000 1.000 0.000 # INVALID # ATOM 834 N N . TRP A 1 68 ? 9.50073 21.66563 -8.93698 1.000 22.41950 ? 63 TRP A N 1 835 R C 1.000 0.000 0.000 836 C C 1.000 0.000 0.000 # INVALID # ATOM 837 O O . TRP A 1 68 ? 8.64093 23.58678 -7.10425 1.000 30.90634 ? 63 TRP A O 1 838 V C 1.000 0.000 0.000 839 G C 1.000 0.000 0.000 840 F C 1.000 0.000 0.000 841 H C 1.000 0.000 0.000 842 L E 0.000 0.000 1.000 843 D C 1.000 0.000 0.000 844 C C 1.000 0.000 0.000 845 G C 1.000 0.000 0.000 846 S C 1.000 0.000 0.000 847 A C 1.000 0.000 0.000 848 T H 0.000 1.000 0.000 849 Q H 0.000 1.000 0.000 850 I H 0.000 1.000 0.000 851 L H 0.000 1.000 0.000 852 F H 0.000 1.000 0.000 853 E H 0.000 1.000 0.000 854 P H 0.000 1.000 0.000 855 G H 0.000 1.000 0.000 856 A H 0.000 1.000 0.000 857 L H 0.000 1.000 0.000 # INVALID # ATOM 858 N N . GLN A 1 69 ? 6.58493 23.45220 -8.02472 1.000 31.44949 ? 64 GLN A N 1 859 R C 1.000 0.000 0.000 860 A C 1.000 0.000 0.000 # INVALID # ATOM 861 O O . GLN A 1 69 ? 4.47201 25.93279 -6.49657 1.000 35.98176 ? 64 GLN A O 1 862 S C 1.000 0.000 0.000 863 V C 1.000 0.000 0.000 864 V C 1.000 0.000 0.000 865 I E 0.000 0.000 1.000 866 S E 0.000 0.000 1.000 867 L H 0.000 1.000 0.000 868 G H 0.000 1.000 0.000 869 V H 0.000 1.000 0.000 870 R H 0.000 1.000 0.000 871 V H 0.000 1.000 0.000 872 A H 0.000 1.000 0.000 873 K H 0.000 1.000 0.000 874 E H 0.000 1.000 0.000 # INVALID # ATOM 875 N N . GLY A 1 70 ? 5.06731 23.90146 -5.72358 1.000 30.47335 ? 65 GLY A N 1 876 G C 1.000 0.000 0.000 65 V C 1.000 0.000 0.000 877 N C 1.000 0.000 0.000 # INVALID # ATOM 878 O O . GLY A 1 70 ? 2.62360 23.26907 -6.65374 1.000 31.82859 ? 65 GLY A O 1 879 G H 0.000 1.000 0.000 880 F H 0.000 1.000 0.000 881 D H 0.000 1.000 0.000 # INVALID # ATOM 882 N N . GLY A 1 71 ? 1.73881 22.93258 -4.65993 1.000 39.04692 ? 66 GLY A N 1 883 G C 1.000 0.000 0.000 884 L C 1.000 0.000 0.000 # INVALID # ATOM 885 O O . GLY A 1 71 ? 1.57616 20.24761 -5.16591 1.000 24.28705 ? 66 GLY A O 1 886 G H 0.000 1.000 0.000 887 N H 0.000 1.000 0.000 888 L H 0.000 1.000 0.000 # INVALID # ATOM 889 N N . GLY A 1 72 ? 0.15044 20.50627 -6.85452 1.000 31.41517 ? 67 GLY A N 1 890 S C 1.000 0.000 0.000 891 L C 1.000 0.000 0.000 # INVALID # ATOM 892 O O . GLY A 1 72 ? 2.15067 18.62188 -7.67183 1.000 23.95570 ? 67 GLY A O 1 893 R H 0.000 1.000 0.000 894 D H 0.000 1.000 0.000 895 V H 0.000 1.000 0.000 896 F E 0.000 0.000 1.000 68 L E 0.000 0.000 1.000 897 V C 1.000 0.000 0.000 898 S C 1.000 0.000 0.000 899 I E 0.000 0.000 1.000 900 Y C 1.000 0.000 0.000 901 C C 1.000 0.000 0.000 902 G C 1.000 0.000 0.000 903 G C 1.000 0.000 0.000 904 A H 0.000 1.000 0.000 905 R H 0.000 1.000 0.000 906 V H 0.000 1.000 0.000 907 G H 0.000 1.000 0.000 908 E H 0.000 1.000 0.000 909 A H 0.000 1.000 0.000 910 K H 0.000 1.000 0.000 911 E H 0.000 1.000 0.000 912 A H 0.000 1.000 0.000 913 E H 0.000 1.000 0.000 914 A H 0.000 1.000 0.000 915 A H 0.000 1.000 0.000 916 V C 1.000 0.000 0.000 917 R C 1.000 0.000 0.000 918 R H 0.000 1.000 0.000 919 A C 1.000 0.000 0.000 # INVALID # ATOM 920 O OG1 . THR A 1 74 ? 1.07869 14.83690 -10.71694 1.000 29.47919 ? 69 THR A OG1 1 921 D C 1.000 0.000 0.000 922 A H 0.000 1.000 0.000 923 H H 0.000 1.000 0.000 924 P H 0.000 1.000 0.000 925 S H 0.000 1.000 0.000 926 H H 0.000 1.000 0.000 927 P H 0.000 1.000 0.000 928 P H 0.000 1.000 0.000 # INVALID # ATOM 929 N N . TYR A 1 75 ? 4.55103 12.92526 -8.67079 1.000 17.81146 ? 70 TYR A N 1 930 Y C 1.000 0.000 0.000 931 F C 1.000 0.000 0.000 # INVALID # ATOM 932 O O . TYR A 1 75 ? 6.48411 13.89747 -7.10326 1.000 17.39641 ? 70 TYR A O 1 933 M C 1.000 0.000 0.000 934 R C 1.000 0.000 0.000 935 P C 1.000 0.000 0.000 936 H C 1.000 0.000 0.000 937 I C 1.000 0.000 0.000 938 A C 1.000 0.000 0.000 939 K C 1.000 0.000 0.000 940 G H 0.000 1.000 0.000 941 A H 0.000 1.000 0.000 942 H H 0.000 1.000 0.000 943 D H 0.000 1.000 0.000 944 D H 0.000 1.000 0.000 945 D H 0.000 1.000 0.000 946 L H 0.000 1.000 0.000 947 C H 0.000 1.000 0.000 948 E H 0.000 1.000 0.000 949 E H 0.000 1.000 0.000 # INVALID # ATOM 950 N N . TYR A 1 76 ? 7.32438 11.84441 -6.72918 1.000 15.31488 ? 71 TYR A N 1 951 R C 1.000 0.000 0.000 952 R C 1.000 0.000 0.000 # INVALID # ATOM 953 O O . TYR A 1 76 ? 9.39852 10.28737 -6.00277 1.000 15.84462 ? 71 TYR A O 1 # INVALID # ATOM 954 C CB . TYR A 1 76 ? 7.52102 12.54434 -4.34428 1.000 15.87775 ? 71 TYR A CB 1 # INVALID # ATOM 955 C CG . TYR A 1 76 ? 6.88253 11.34506 -3.75095 1.000 14.79789 ? 71 TYR A CG 1 # INVALID # ATOM 956 C CD1 . TYR A 1 76 ? 5.59687 11.00648 -4.10148 1.000 16.32072 ? 71 TYR A CD1 1 # INVALID # ATOM 957 C CD2 . TYR A 1 76 ? 7.50514 10.59464 -2.75776 1.000 16.65548 ? 71 TYR A CD2 1 # INVALID # ATOM 958 C CE1 . TYR A 1 76 ? 4.94800 9.93138 -3.51632 1.000 19.38327 ? 71 TYR A CE1 1 # INVALID # ATOM 959 C CE2 . TYR A 1 76 ? 6.85188 9.50432 -2.14615 1.000 19.65188 ? 71 TYR A CE2 1 # INVALID # ATOM 960 C CZ . TYR A 1 76 ? 5.58681 9.17811 -2.54704 1.000 22.71380 ? 71 TYR A CZ 1 # INVALID # ATOM 961 O OH . TYR A 1 76 ? 4.95792 8.11110 -1.94071 1.000 24.08076 ? 71 TYR A OH 1 # INVALID # ATOM 962 H H . TYR A 1 76 ? 7.33796 10.99305 -6.85002 1.000 18.40573 ? 71 TYR A H 1 # INVALID # ATOM 963 H HA . TYR A 1 76 ? 8.55652 13.22233 -5.96888 1.000 17.76571 ? 71 TYR A HA 1 # INVALID # ATOM 964 H HB2 . TYR A 1 76 ? 8.17713 12.86208 -3.70439 1.000 19.08117 ? 71 TYR A HB2 1 # INVALID # ATOM 965 H HB3 . TYR A 1 76 ? 6.82351 13.20812 -4.46161 1.000 19.08117 ? 71 TYR A HB3 1 # INVALID # ATOM 966 H HD1 . TYR A 1 76 ? 5.15324 11.51007 -4.74530 1.000 19.61274 ? 71 TYR A HD1 1 # INVALID # ATOM 967 H HD2 . TYR A 1 76 ? 8.36842 10.81635 -2.49229 1.000 20.01445 ? 71 TYR A HD2 1 # INVALID # ATOM 968 H HE1 . TYR A 1 76 ? 4.08132 9.71545 -3.77545 1.000 23.28780 ? 71 TYR A HE1 1 # INVALID # ATOM 969 H HE2 . TYR A 1 76 ? 7.27622 9.01424 -1.47933 1.000 23.61013 ? 71 TYR A HE2 1 # INVALID # ATOM 970 H HH . TYR A 1 76 ? 4.13496 8.12979 -2.10800 1.000 28.92478 ? 71 TYR A HH 1 # INVALID # ATOM 971 N N . VAL A 1 77 ? 10.46885 11.96090 -4.94127 1.000 15.98595 ? 72 VAL A N 1 # INVALID # ATOM 972 C CA . VAL A 1 77 ? 11.69136 11.20477 -4.70581 1.000 15.84095 ? 72 VAL A CA 1 # INVALID # ATOM 973 C C . VAL A 1 77 ? 11.89319 11.06169 -3.20609 1.000 15.90184 ? 72 VAL A C 1 # INVALID # ATOM 974 O O . VAL A 1 77 ? 11.53587 11.95552 -2.42942 1.000 15.49939 ? 72 VAL A O 1 # INVALID # ATOM 975 C CB . VAL A 1 77 ? 12.90616 11.87444 -5.37950 1.000 16.36911 ? 72 VAL A CB 1 # INVALID # ATOM 976 C CG1 . VAL A 1 77 ? 13.12054 13.27073 -4.82515 1.000 19.77663 ? 72 VAL A CG1 1 # INVALID # ATOM 977 C CG2 . VAL A 1 77 ? 14.13606 10.99514 -5.23368 1.000 16.72592 ? 72 VAL A CG2 1 # INVALID # ATOM 978 H H . VAL A 1 77 ? 10.49479 12.76597 -4.63994 1.000 19.21101 ? 72 VAL A H 1 # INVALID # ATOM 979 H HA . VAL A 1 77 ? 11.60117 10.31225 -5.07484 1.000 19.03701 ? 72 VAL A HA 1 # INVALID # ATOM 980 H HB . VAL A 1 77 ? 12.73969 11.97569 -6.32973 1.000 19.67080 ? 72 VAL A HB 1 # INVALID # ATOM 981 H HG11 . VAL A 1 77 ? 13.08428 13.23494 -3.85649 1.000 23.75983 ? 72 VAL A HG11 1 # INVALID # ATOM 982 H HG12 . VAL A 1 77 ? 13.98878 13.59449 -5.11193 1.000 23.75983 ? 72 VAL A HG12 1 # INVALID # ATOM 983 H HG13 . VAL A 1 77 ? 12.42241 13.85446 -5.16096 1.000 23.75983 ? 72 VAL A HG13 1 # INVALID # ATOM 984 H HG21 . VAL A 1 77 ? 14.42885 11.01250 -4.30908 1.000 20.09898 ? 72 VAL A HG21 1 # INVALID # ATOM 985 H HG22 . VAL A 1 77 ? 13.90826 10.08822 -5.49154 1.000 20.09898 ? 72 VAL A HG22 1 # INVALID # ATOM 986 H HG23 . VAL A 1 77 ? 14.83822 11.33626 -5.80945 1.000 20.09898 ? 72 VAL A HG23 1 # INVALID # ATOM 987 N N . GLU A 1 78 ? 12.44869 9.91864 -2.79912 1.000 16.07316 ? 73 GLU A N 1 # INVALID # ATOM 988 C CA . GLU A 1 78 ? 12.96013 9.71660 -1.45197 1.000 16.62417 ? 73 GLU A CA 1 # INVALID # ATOM 989 C C . GLU A 1 78 ? 14.45103 9.40664 -1.60467 1.000 17.18223 ? 73 GLU A C 1 # INVALID # ATOM 990 O O . GLU A 1 78 ? 14.81987 8.50735 -2.36537 1.000 18.24603 ? 73 GLU A O 1 # INVALID # ATOM 991 C CB . GLU A 1 78 ? 12.23056 8.56916 -0.75609 1.000 17.70961 ? 73 GLU A CB 1 # INVALID # ATOM 992 C CG . GLU A 1 78 ? 10.78356 8.90808 -0.40111 1.000 18.35633 ? 73 GLU A CG 1 # INVALID # ATOM 993 C CD . GLU A 1 78 ? 10.01820 7.79271 0.28076 1.000 27.41789 ? 73 GLU A CD 1 # INVALID # ATOM 994 O OE1 . GLU A 1 78 ? 10.58943 6.73791 0.61878 1.000 28.86398 ? 73 GLU A OE1 1 # INVALID # ATOM 995 O OE2 . GLU A 1 78 ? 8.82203 8.01958 0.54481 1.000 27.63160 ? 73 GLU A OE2 1 # INVALID # ATOM 996 H H . GLU A 1 78 ? 12.54086 9.22852 -3.30394 1.000 19.31566 ? 73 GLU A H 1 # INVALID # ATOM 997 H HA . GLU A 1 78 ? 12.84110 10.50910 -0.90546 1.000 19.97688 ? 73 GLU A HA 1 # INVALID # ATOM 998 H HB2 . GLU A 1 78 ? 12.22142 7.79883 -1.34549 1.000 21.27941 ? 73 GLU A HB2 1 # INVALID # ATOM 999 H HB3 . GLU A 1 78 ? 12.69735 8.35230 0.06609 1.000 21.27941 ? 73 GLU A HB3 1 # INVALID # ATOM 1000 H HG2 . GLU A 1 78 ? 10.78389 9.67014 0.19903 1.000 22.05546 ? 73 GLU A HG2 1 # INVALID # ATOM 1001 H HG3 . GLU A 1 78 ? 10.30959 9.12932 -1.21800 1.000 22.05546 ? 73 GLU A HG3 1 # INVALID # ATOM 1002 N N . ALA A 1 79 ? 15.31804 10.17465 -0.92253 1.000 15.77830 ? 74 ALA A N 1 # INVALID # ATOM 1003 C CA . ALA A 1 79 ? 16.74416 10.09606 -1.23911 1.000 16.27631 ? 74 ALA A CA 1 # INVALID # ATOM 1004 C C . ALA A 1 79 ? 17.55885 10.55113 -0.04650 1.000 15.72188 ? 74 ALA A C 1 # INVALID # ATOM 1005 O O . ALA A 1 79 ? 17.09664 11.31425 0.78692 1.000 16.52409 ? 74 ALA A O 1 # INVALID # ATOM 1006 C CB . ALA A 1 79 ? 17.08588 10.93889 -2.46838 1.000 17.10268 ? 74 ALA A CB 1 # INVALID # ATOM 1007 H H . ALA A 1 79 ? 15.10778 10.72614 -0.29703 1.000 18.96183 ? 74 ALA A H 1 # INVALID # ATOM 1008 H HA . ALA A 1 79 ? 16.97295 9.17030 -1.41671 1.000 19.55944 ? 74 ALA A HA 1 # INVALID # ATOM 1009 H HB1 . ALA A 1 79 ? 16.56650 10.62113 -3.22348 1.000 20.55109 ? 74 ALA A HB1 1 # INVALID # ATOM 1010 H HB2 . ALA A 1 79 ? 16.86977 11.86660 -2.28522 1.000 20.55109 ? 74 ALA A HB2 1 # INVALID # ATOM 1011 H HB3 . ALA A 1 79 ? 18.03310 10.85115 -2.65806 1.000 20.55109 ? 74 ALA A HB3 1 # INVALID # ATOM 1012 N N . THR A 1 80 ? 18.79410 10.05899 0.01115 1.000 16.54174 ? 75 THR A N 1 # INVALID # ATOM 1013 C CA . THR A 1 80 ? 19.81383 10.61502 0.88587 1.000 15.53735 ? 75 THR A CA 1 # INVALID # ATOM 1014 C C . THR A 1 80 ? 20.56355 11.70693 0.12843 1.000 15.89637 ? 75 THR A C 1 # INVALID # ATOM 1015 O O . THR A 1 80 ? 20.45359 11.84596 -1.08682 1.000 16.57971 ? 75 THR A O 1 # INVALID # ATOM 1016 C CB . THR A 1 80 ? 20.74686 9.51437 1.36790 1.000 19.06995 ? 75 THR A CB 1 # INVALID # ATOM 1017 O OG1 . THR A 1 80 ? 21.24531 8.82567 0.23305 1.000 21.24469 ? 75 THR A OG1 1 # INVALID # ATOM 1018 C CG2 . THR A 1 80 ? 19.99820 8.52044 2.21090 1.000 22.18321 ? 75 THR A CG2 1 # INVALID # ATOM 1019 H H . THR A 1 80 ? 19.06794 9.39113 -0.45637 1.000 19.87796 ? 75 THR A H 1 # INVALID # ATOM 1020 H HA . THR A 1 80 ? 19.41661 11.00970 1.67792 1.000 18.67270 ? 75 THR A HA 1 # INVALID # ATOM 1021 H HB . THR A 1 80 ? 21.46545 9.89969 1.89331 1.000 22.91182 ? 75 THR A HB 1 # INVALID # ATOM 1022 H HG1 . THR A 1 80 ? 21.85394 8.29464 0.46367 1.000 25.52150 ? 75 THR A HG1 1 # INVALID # ATOM 1023 H HG21 . THR A 1 80 ? 19.77606 8.91403 3.06917 1.000 26.64772 ? 75 THR A HG21 1 # INVALID # ATOM 1024 H HG22 . THR A 1 80 ? 19.17868 8.25690 1.76387 1.000 26.64772 ? 75 THR A HG22 1 # INVALID # ATOM 1025 H HG23 . THR A 1 80 ? 20.54410 7.73222 2.35787 1.000 26.64772 ? 75 THR A HG23 1 # INVALID # ATOM 1026 N N . ARG A 1 81 ? 21.38110 12.46388 0.86976 1.000 16.69221 ? 76 ARG A N 1 # INVALID # ATOM 1027 C CA . ARG A 1 81 ? 21.98633 13.67406 0.32335 1.000 16.35917 ? 76 ARG A CA 1 # INVALID # ATOM 1028 C C . ARG A 1 81 ? 22.84293 13.38308 -0.90633 1.000 16.45863 ? 76 ARG A C 1 # INVALID # ATOM 1029 O O . ARG A 1 81 ? 22.91186 14.18944 -1.84366 1.000 20.01886 ? 76 ARG A O 1 # INVALID # ATOM 1030 C CB . ARG A 1 81 ? 22.84294 14.33766 1.40477 1.000 18.41988 ? 76 ARG A CB 1 # INVALID # ATOM 1031 C CG . ARG A 1 81 ? 23.61254 15.55296 0.91012 1.000 19.91331 ? 76 ARG A CG 1 # INVALID # ATOM 1032 C CD . ARG A 1 81 ? 24.36502 16.24422 2.03845 1.000 19.90018 ? 76 ARG A CD 1 # INVALID # ATOM 1033 N NE . ARG A 1 81 ? 23.45491 16.97111 2.90945 1.000 22.38323 ? 76 ARG A NE 1 # INVALID # ATOM 1034 C CZ . ARG A 1 81 ? 22.98777 18.18545 2.65724 1.000 20.86019 ? 76 ARG A CZ 1 # INVALID # ATOM 1035 N NH1 . ARG A 1 81 ? 23.32099 18.85011 1.56048 1.000 21.03084 ? 76 ARG A NH1 1 # INVALID # ATOM 1036 N NH2 . ARG A 1 81 ? 22.12176 18.72738 3.50338 1.000 21.24404 ? 76 ARG A NH2 1 # INVALID # ATOM 1037 H H . ARG A 1 81 ? 21.59783 12.29734 1.68517 1.000 20.05852 ? 76 ARG A H 1 # INVALID # ATOM 1038 H HA . ARG A 1 81 ? 21.27782 14.27866 0.05248 1.000 19.65887 ? 76 ARG A HA 1 # INVALID # ATOM 1039 H HB2 . ARG A 1 81 ? 22.26469 14.62650 2.12803 1.000 22.13173 ? 76 ARG A HB2 1 # INVALID # ATOM 1040 H HB3 . ARG A 1 81 ? 23.48748 13.69145 1.73321 1.000 22.13173 ? 76 ARG A HB3 1 # INVALID # ATOM 1041 H HG2 . ARG A 1 81 ? 24.25764 15.27309 0.24197 1.000 23.92384 ? 76 ARG A HG2 1 # INVALID # ATOM 1042 H HG3 . ARG A 1 81 ? 22.99106 16.19026 0.52475 1.000 23.92384 ? 76 ARG A HG3 1 # INVALID # ATOM 1043 H HD2 . ARG A 1 81 ? 24.83171 15.57974 2.56907 1.000 23.90809 ? 76 ARG A HD2 1 # INVALID # ATOM 1044 H HD3 . ARG A 1 81 ? 24.99959 16.87489 1.66365 1.000 23.90809 ? 76 ARG A HD3 1 # INVALID # ATOM 1045 H HE . ARG A 1 81 ? 23.20307 16.58730 3.63669 1.000 26.88775 ? 76 ARG A HE 1 # INVALID # ATOM 1046 H HH11 . ARG A 1 81 ? 23.85496 18.49453 0.98773 1.000 25.26489 ? 76 ARG A HH11 1 # INVALID # ATOM 1047 H HH12 . ARG A 1 81 ? 23.00330 19.63708 1.42139 1.000 25.26489 ? 76 ARG A HH12 1 # INVALID # ATOM 1048 H HH21 . ARG A 1 81 ? 21.87260 18.29153 4.20163 1.000 25.52073 ? 76 ARG A HH21 1 # INVALID # ATOM 1049 H HH22 . ARG A 1 81 ? 21.80946 19.51457 3.35370 1.000 25.52073 ? 76 ARG A HH22 1 # INVALID # ATOM 1050 N N . ASP A 1 82 ? 23.54459 12.24526 -0.90335 1.000 18.71467 ? 77 ASP A N 1 # INVALID # ATOM 1051 C CA . ASP A 1 82 ? 24.40349 11.86295 -2.01128 1.000 18.41632 ? 77 ASP A CA 1 # INVALID # ATOM 1052 C C . ASP A 1 82 ? 23.76224 10.88136 -2.96818 1.000 17.47302 ? 77 ASP A C 1 # INVALID # ATOM 1053 O O . ASP A 1 82 ? 24.45883 10.31386 -3.82287 1.000 21.63864 ? 77 ASP A O 1 # INVALID # ATOM 1054 C CB . ASP A 1 82 ? 25.70055 11.26500 -1.47342 1.000 15.37453 ? 77 ASP A CB 1 # INVALID # ATOM 1055 C CG . ASP A 1 82 ? 25.47119 10.01487 -0.67152 1.000 19.68956 ? 77 ASP A CG 1 # INVALID # ATOM 1056 O OD1 . ASP A 1 82 ? 24.31990 9.52590 -0.55838 1.000 19.51802 ? 77 ASP A OD1 1 # INVALID # ATOM 1057 O OD2 . ASP A 1 82 ? 26.47700 9.46989 -0.15772 1.000 18.50067 ? 77 ASP A OD2 1 # INVALID # ATOM 1058 H H . ASP A 1 82 ? 23.53467 11.67565 -0.25910 1.000 22.48548 ? 77 ASP A H 1 # INVALID # ATOM 1059 H HA . ASP A 1 82 ? 24.60842 12.66566 -2.51582 1.000 22.12746 ? 77 ASP A HA 1 # INVALID # ATOM 1060 H HB2 . ASP A 1 82 ? 26.27953 11.04189 -2.21900 1.000 18.47731 ? 77 ASP A HB2 1 # INVALID # ATOM 1061 H HB3 . ASP A 1 82 ? 26.13475 11.91507 -0.89915 1.000 18.47731 ? 77 ASP A HB3 1 # INVALID # ATOM 1062 N N . LYS A 1 83 ? 22.45411 10.67976 -2.85185 1.000 18.94817 ? 78 LYS A N 1 # INVALID # ATOM 1063 C CA . LYS A 1 83 ? 21.64773 9.83726 -3.72284 1.000 20.76958 ? 78 LYS A CA 1 # INVALID # ATOM 1064 C C . LYS A 1 83 ? 22.04546 8.36565 -3.68071 1.000 18.62743 ? 78 LYS A C 1 # INVALID # ATOM 1065 O O . LYS A 1 83 ? 21.55845 7.58277 -4.50367 1.000 21.42382 ? 78 LYS A O 1 # INVALID # ATOM 1066 C CB . LYS A 1 83 ? 21.68502 10.37073 -5.16993 1.000 21.64484 ? 78 LYS A CB 1 # INVALID # ATOM 1067 C CG . LYS A 1 83 ? 21.18674 11.82124 -5.32023 1.000 25.44401 ? 78 LYS A CG 1 # INVALID # ATOM 1068 C CD . LYS A 1 83 ? 22.28830 12.88724 -5.05321 1.000 33.06823 ? 78 LYS A CD 1 # INVALID # ATOM 1069 C CE . LYS A 1 83 ? 22.11759 14.12791 -5.93216 1.000 31.39646 ? 78 LYS A CE 1 # INVALID # ATOM 1070 N NZ . LYS A 1 83 ? 23.21941 15.11437 -5.66705 1.000 40.18922 ? 78 LYS A NZ 1 # INVALID # ATOM 1071 H H . LYS A 1 83 ? 21.98236 11.04637 -2.23326 1.000 22.76567 ? 78 LYS A H 1 # INVALID # ATOM 1072 H HA . LYS A 1 83 ? 20.72957 9.86707 -3.41140 1.000 24.95137 ? 78 LYS A HA 1 # INVALID # ATOM 1073 H HB2 . LYS A 1 83 ? 22.60063 10.33940 -5.48866 1.000 26.00168 ? 78 LYS A HB2 1 # INVALID # ATOM 1074 H HB3 . LYS A 1 83 ? 21.12173 9.80708 -5.72301 1.000 26.00168 ? 78 LYS A HB3 1 # INVALID # ATOM 1075 H HG2 . LYS A 1 83 ? 20.86367 11.94953 -6.22581 1.000 30.56068 ? 78 LYS A HG2 1 # INVALID # ATOM 1076 H HG3 . LYS A 1 83 ? 20.46789 11.97303 -4.68690 1.000 30.56068 ? 78 LYS A HG3 1 # INVALID # ATOM 1077 H HD2 . LYS A 1 83 ? 22.24344 13.16620 -4.12527 1.000 39.70976 ? 78 LYS A HD2 1 # INVALID # ATOM 1078 H HD3 . LYS A 1 83 ? 23.15785 12.50098 -5.24185 1.000 39.70976 ? 78 LYS A HD3 1 # INVALID # ATOM 1079 H HE2 . LYS A 1 83 ? 22.15038 13.87115 -6.86699 1.000 37.70363 ? 78 LYS A HE2 1 # INVALID # ATOM 1080 H HE3 . LYS A 1 83 ? 21.26806 14.55222 -5.73426 1.000 37.70363 ? 78 LYS A HE3 1 # INVALID # ATOM 1081 H HZ1 . LYS A 1 83 ? 23.10376 15.84154 -6.16701 1.000 48.25493 ? 78 LYS A HZ1 1 # INVALID # ATOM 1082 H HZ2 . LYS A 1 83 ? 23.21668 15.35043 -4.80893 1.000 48.25493 ? 78 LYS A HZ2 1 # INVALID # ATOM 1083 H HZ3 . LYS A 1 83 ? 24.00747 14.75073 -5.86408 1.000 48.25493 ? 78 LYS A HZ3 1 # INVALID # ATOM 1084 N N . ARG A 1 84 ? 22.88877 7.94055 -2.72987 1.000 18.23421 ? 79 ARG A N 1 # INVALID # ATOM 1085 C CA . ARG A 1 84 ? 23.18378 6.51388 -2.65534 1.000 20.01453 ? 79 ARG A CA 1 # INVALID # ATOM 1086 C C . ARG A 1 84 ? 21.91712 5.71813 -2.35602 1.000 22.33830 ? 79 ARG A C 1 # INVALID # ATOM 1087 O O . ARG A 1 84 ? 21.81151 4.55122 -2.75101 1.000 23.92313 ? 79 ARG A O 1 # INVALID # ATOM 1088 C CB . ARG A 1 84 ? 24.28032 6.24580 -1.62690 1.000 19.12446 ? 79 ARG A CB 1 # INVALID # ATOM 1089 C CG . ARG A 1 84 ? 25.67835 6.66852 -2.09047 1.000 18.37151 ? 79 ARG A CG 1 # INVALID # ATOM 1090 C CD . ARG A 1 84 ? 26.75667 6.19148 -1.10325 1.000 18.87076 ? 79 ARG A CD 1 # INVALID # ATOM 1091 N NE . ARG A 1 84 ? 26.51876 6.74340 0.22913 1.000 18.10918 ? 79 ARG A NE 1 # INVALID # ATOM 1092 C CZ . ARG A 1 84 ? 26.74048 6.10970 1.37357 1.000 17.30079 ? 79 ARG A CZ 1 # INVALID # ATOM 1093 N NH1 . ARG A 1 84 ? 27.32585 4.92570 1.40432 1.000 22.24729 ? 79 ARG A NH1 1 # INVALID # ATOM 1094 N NH2 . ARG A 1 84 ? 26.36694 6.67687 2.51850 1.000 21.35649 ? 79 ARG A NH2 1 # INVALID # ATOM 1095 H H . ARG A 1 84 ? 23.28134 8.43645 -2.14713 1.000 21.90893 ? 79 ARG A H 1 # INVALID # ATOM 1096 H HA . ARG A 1 84 ? 23.53120 6.20781 -3.50770 1.000 24.04531 ? 79 ARG A HA 1 # INVALID # ATOM 1097 H HB2 . ARG A 1 84 ? 24.07533 6.73859 -0.81694 1.000 22.97722 ? 79 ARG A HB2 1 # INVALID # ATOM 1098 H HB3 . ARG A 1 84 ? 24.30570 5.29451 -1.43901 1.000 22.97722 ? 79 ARG A HB3 1 # INVALID # ATOM 1099 H HG2 . ARG A 1 84 ? 25.86273 6.27699 -2.95858 1.000 22.07368 ? 79 ARG A HG2 1 # INVALID # ATOM 1100 H HG3 . ARG A 1 84 ? 25.72093 7.63593 -2.14704 1.000 22.07368 ? 79 ARG A HG3 1 # INVALID # ATOM 1101 H HD2 . ARG A 1 84 ? 26.73644 5.22350 -1.04412 1.000 22.67278 ? 79 ARG A HD2 1 # INVALID # ATOM 1102 H HD3 . ARG A 1 84 ? 27.62876 6.48707 -1.40821 1.000 22.67278 ? 79 ARG A HD3 1 # INVALID # ATOM 1103 H HE . ARG A 1 84 ? 26.20970 7.54463 0.27505 1.000 21.75889 ? 79 ARG A HE 1 # INVALID # ATOM 1104 H HH11 . ARG A 1 84 ? 27.46028 4.53189 2.15695 1.000 26.72462 ? 79 ARG A HH11 1 # INVALID # ATOM 1105 H HH12 . ARG A 1 84 ? 27.57247 4.54878 0.67172 1.000 26.72462 ? 79 ARG A HH12 1 # INVALID # ATOM 1106 H HH21 . ARG A 1 84 ? 25.98544 7.44759 2.51219 1.000 25.65566 ? 79 ARG A HH21 1 # INVALID # ATOM 1107 H HH22 . ARG A 1 84 ? 26.50713 6.27256 3.26448 1.000 25.65566 ? 79 ARG A HH22 1 # INVALID # ATOM 1108 N N . HIS A 1 85 ? 20.94574 6.32873 -1.67703 1.000 21.17736 ? 80 HIS A N 1 # INVALID # ATOM 1109 C CA . HIS A 1 85 ? 19.56452 5.86375 -1.68605 1.000 20.86402 ? 80 HIS A CA 1 # INVALID # ATOM 1110 C C . HIS A 1 85 ? 18.73876 6.85179 -2.48988 1.000 19.89694 ? 80 HIS A C 1 # INVALID # ATOM 1111 O O . HIS A 1 85 ? 18.76806 8.05152 -2.22865 1.000 18.24577 ? 80 HIS A O 1 # INVALID # ATOM 1112 C CB . HIS A 1 85 ? 18.94136 5.76306 -0.29690 1.000 24.07119 ? 80 HIS A CB 1 # INVALID # ATOM 1113 C CG . HIS A 1 85 ? 17.51120 5.32483 -0.34153 1.000 25.47188 ? 80 HIS A CG 1 # INVALID # ATOM 1114 N ND1 . HIS A 1 85 ? 17.13972 3.99540 -0.35073 1.000 27.63843 ? 80 HIS A ND1 1 # INVALID # ATOM 1115 C CD2 . HIS A 1 85 ? 16.36683 6.03757 -0.47480 1.000 24.31542 ? 80 HIS A CD2 1 # INVALID # ATOM 1116 C CE1 . HIS A 1 85 ? 15.82347 3.91133 -0.45725 1.000 31.34591 ? 80 HIS A CE1 1 # INVALID # ATOM 1117 N NE2 . HIS A 1 85 ? 15.33073 5.13572 -0.53378 1.000 25.54692 ? 80 HIS A NE2 1 # INVALID # ATOM 1118 H H . HIS A 1 85 ? 21.06833 7.02966 -1.19405 1.000 25.44070 ? 80 HIS A H 1 # INVALID # ATOM 1119 H HA . HIS A 1 85 ? 19.55538 4.97736 -2.07991 1.000 25.06470 ? 80 HIS A HA 1 # INVALID # ATOM 1120 H HB2 . HIS A 1 85 ? 19.43871 5.11591 0.22725 1.000 28.91330 ? 80 HIS A HB2 1 # INVALID # ATOM 1121 H HB3 . HIS A 1 85 ? 18.97678 6.63333 0.13003 1.000 28.91330 ? 80 HIS A HB3 1 # INVALID # ATOM 1122 H HD1 . HIS A 1 85 ? 17.67857 3.32739 -0.29590 1.000 33.19399 ? 80 HIS A HD1 1 # INVALID # ATOM 1123 H HD2 . HIS A 1 85 ? 16.29542 6.96381 -0.51827 1.000 29.20638 ? 80 HIS A HD2 1 # INVALID # ATOM 1124 H HE1 . HIS A 1 85 ? 15.32868 3.12408 -0.47523 1.000 37.64297 ? 80 HIS A HE1 1 # INVALID # ATOM 1125 N N . CYS A 1 86 ? 18.01704 6.33993 -3.47609 1.000 20.42889 ? 81 CYS A N 1 # INVALID # ATOM 1126 C CA . CYS A 1 86 ? 17.23797 7.17607 -4.39124 1.000 17.99028 ? 81 CYS A CA 1 # INVALID # ATOM 1127 C C . CYS A 1 86 ? 16.14479 6.36279 -5.05089 1.000 19.94489 ? 81 CYS A C 1 # INVALID # ATOM 1128 O O . CYS A 1 86 ? 16.42850 5.63151 -6.00106 1.000 22.50617 ? 81 CYS A O 1 # INVALID # ATOM 1129 C CB . CYS A 1 86 ? 18.09546 7.79751 -5.48130 1.000 19.20353 ? 81 CYS A CB 1 # INVALID # ATOM 1130 S SG . CYS A 1 86 ? 17.35020 9.19323 -6.32930 1.000 22.27772 ? 81 CYS A SG 1 # INVALID # ATOM 1131 H H . CYS A 1 86 ? 17.95753 5.49847 -3.64343 1.000 24.54254 ? 81 CYS A H 1 # INVALID # ATOM 1132 H HA . CYS A 1 86 ? 16.83946 7.86693 -3.83915 1.000 21.61621 ? 81 CYS A HA 1 # INVALID # ATOM 1133 H HB2 . CYS A 1 86 ? 18.92278 8.10808 -5.08132 1.000 23.07210 ? 81 CYS A HB2 1 # INVALID # ATOM 1134 H HB3 . CYS A 1 86 ? 18.28370 7.11867 -6.14811 1.000 23.07210 ? 81 CYS A HB3 1 # INVALID # ATOM 1135 H HG . CYS A 1 86 ? 18.16811 9.69439 -7.05031 1.000 26.76114 ? 81 CYS A HG 1 # INVALID # ATOM 1136 N N . GLU A 1 87 ? 14.91172 6.59719 -4.62480 1.000 18.15290 ? 82 GLU A N 1 # INVALID # ATOM 1137 C CA . GLU A 1 87 ? 13.75040 5.90022 -5.15199 1.000 18.23811 ? 82 GLU A CA 1 # INVALID # ATOM 1138 C C . GLU A 1 87 ? 12.72322 6.93196 -5.57010 1.000 16.78007 ? 82 GLU A C 1 # INVALID # ATOM 1139 O O . GLU A 1 87 ? 12.52789 7.95185 -4.90575 1.000 18.11296 ? 82 GLU A O 1 # INVALID # ATOM 1140 C CB . GLU A 1 87 ? 13.16185 4.94446 -4.12710 1.000 21.42616 ? 82 GLU A CB 1 # INVALID # ATOM 1141 C CG . GLU A 1 87 ? 14.08299 3.75890 -3.88133 1.000 26.62400 ? 82 GLU A CG 1 # INVALID # ATOM 1142 C CD . GLU A 1 87 ? 13.47143 2.70952 -2.99745 1.000 37.94203 ? 82 GLU A CD 1 # INVALID # ATOM 1143 O OE1 . GLU A 1 87 ? 13.85571 1.53195 -3.16631 1.000 41.95949 ? 82 GLU A OE1 1 # INVALID # ATOM 1144 O OE2 . GLU A 1 87 ? 12.59884 3.04853 -2.16211 1.000 35.06534 ? 82 GLU A OE2 1 # INVALID # ATOM 1145 H H . GLU A 1 87 ? 14.71797 7.17117 -4.01439 1.000 21.81136 ? 82 GLU A H 1 # INVALID # ATOM 1146 H HA . GLU A 1 87 ? 13.99259 5.37401 -5.93003 1.000 21.91360 ? 82 GLU A HA 1 # INVALID # ATOM 1147 H HB2 . GLU A 1 87 ? 13.03488 5.41285 -3.28723 1.000 25.73926 ? 82 GLU A HB2 1 # INVALID # ATOM 1148 H HB3 . GLU A 1 87 ? 12.31150 4.60935 -4.45193 1.000 25.73926 ? 82 GLU A HB3 1 # INVALID # ATOM 1149 H HG2 . GLU A 1 87 ? 14.29667 3.34483 -4.73208 1.000 31.97668 ? 82 GLU A HG2 1 # INVALID # ATOM 1150 H HG3 . GLU A 1 87 ? 14.89407 4.07419 -3.45279 1.000 31.97668 ? 82 GLU A HG3 1 # INVALID # ATOM 1151 N N . VAL A 1 88 ? 12.03387 6.63832 -6.65887 1.000 17.66692 ? 83 VAL A N 1 # INVALID # ATOM 1152 C CA . VAL A 1 88 ? 11.05806 7.55900 -7.21299 1.000 17.39960 ? 83 VAL A CA 1 # INVALID # ATOM 1153 C C . VAL A 1 88 ? 9.70731 6.88375 -7.17509 1.000 17.53817 ? 83 VAL A C 1 # INVALID # ATOM 1154 O O . VAL A 1 88 ? 9.60025 5.67805 -7.42985 1.000 18.41104 ? 83 VAL A O 1 # INVALID # ATOM 1155 C CB . VAL A 1 88 ? 11.41691 8.00634 -8.64556 1.000 17.13823 ? 83 VAL A CB 1 # INVALID # ATOM 1156 C CG1 . VAL A 1 88 ? 10.25581 8.77036 -9.28396 1.000 18.90702 ? 83 VAL A CG1 1 # INVALID # ATOM 1157 C CG2 . VAL A 1 88 ? 12.68612 8.87354 -8.57625 1.000 18.40805 ? 83 VAL A CG2 1 # INVALID # ATOM 1158 H H . VAL A 1 88 ? 12.11498 5.90383 -7.09881 1.000 21.22818 ? 83 VAL A H 1 # INVALID # ATOM 1159 H HA . VAL A 1 88 ? 11.02420 8.35769 -6.66359 1.000 20.90739 ? 83 VAL A HA 1 # INVALID # ATOM 1160 H HB . VAL A 1 88 ? 11.58547 7.23451 -9.20837 1.000 20.59374 ? 83 VAL A HB 1 # INVALID # ATOM 1161 H HG11 . VAL A 1 88 ? 9.83104 9.32164 -8.60827 1.000 22.71630 ? 83 VAL A HG11 1 # INVALID # ATOM 1162 H HG12 . VAL A 1 88 ? 10.60017 9.32910 -9.99820 1.000 22.71630 ? 83 VAL A HG12 1 # INVALID # ATOM 1163 H HG13 . VAL A 1 88 ? 9.61702 8.13359 -9.64086 1.000 22.71630 ? 83 VAL A HG13 1 # INVALID # ATOM 1164 H HG21 . VAL A 1 88 ? 12.53620 9.60369 -7.95552 1.000 22.11754 ? 83 VAL A HG21 1 # INVALID # ATOM 1165 H HG22 . VAL A 1 88 ? 13.42628 8.32618 -8.27054 1.000 22.11754 ? 83 VAL A HG22 1 # INVALID # ATOM 1166 H HG23 . VAL A 1 88 ? 12.87732 9.22468 -9.46002 1.000 22.11754 ? 83 VAL A HG23 1 # INVALID # ATOM 1167 N N . PHE A 1 89 ? 8.69389 7.66559 -6.79950 1.000 17.28094 ? 84 PHE A N 1 # INVALID # ATOM 1168 C CA . PHE A 1 89 ? 7.33150 7.20129 -6.61927 1.000 17.74125 ? 84 PHE A CA 1 # INVALID # ATOM 1169 C C . PHE A 1 89 ? 6.35285 8.06865 -7.38749 1.000 17.58685 ? 84 PHE A C 1 # INVALID # ATOM 1170 O O . PHE A 1 89 ? 6.58911 9.24741 -7.67242 1.000 18.20598 ? 84 PHE A O 1 # INVALID # ATOM 1171 C CB . PHE A 1 89 ? 6.90459 7.21816 -5.14628 1.000 18.67708 ? 84 PHE A CB 1 # INVALID # ATOM 1172 C CG . PHE A 1 89 ? 7.79358 6.42387 -4.26041 1.000 18.08547 ? 84 PHE A CG 1 # INVALID # ATOM 1173 C CD1 . PHE A 1 89 ? 9.00134 6.93066 -3.80195 1.000 20.98162 ? 84 PHE A CD1 1 # INVALID # ATOM 1174 C CD2 . PHE A 1 89 ? 7.43618 5.14563 -3.89856 1.000 21.87062 ? 84 PHE A CD2 1 # INVALID # ATOM 1175 C CE1 . PHE A 1 89 ? 9.83381 6.16268 -2.99649 1.000 20.99424 ? 84 PHE A CE1 1 # INVALID # ATOM 1176 C CE2 . PHE A 1 89 ? 8.25433 4.38798 -3.07005 1.000 21.15203 ? 84 PHE A CE2 1 # INVALID # ATOM 1177 C CZ . PHE A 1 89 ? 9.45806 4.89802 -2.63393 1.000 22.45323 ? 84 PHE A CZ 1 # INVALID # ATOM 1178 H H . PHE A 1 89 ? 8.78127 8.50565 -6.63744 1.000 20.76500 ? 84 PHE A H 1 # INVALID # ATOM 1179 H HA . PHE A 1 89 ? 7.29176 6.29620 -6.96590 1.000 21.31738 ? 84 PHE A HA 1 # INVALID # ATOM 1180 H HB2 . PHE A 1 89 ? 6.91200 8.13486 -4.82927 1.000 22.44036 ? 84 PHE A HB2 1 # INVALID # ATOM 1181 H HB3 . PHE A 1 89 ? 6.00991 6.85004 -5.07600 1.000 22.44036 ? 84 PHE A HB3 1 # INVALID # ATOM 1182 H HD1 . PHE A 1 89 ? 9.25651 7.79372 -4.03626 1.000 25.20581 ? 84 PHE A HD1 1 # INVALID # ATOM 1183 H HD2 . PHE A 1 89 ? 6.63834 4.78489 -4.21194 1.000 26.27262 ? 84 PHE A HD2 1 # INVALID # ATOM 1184 H HE1 . PHE A 1 89 ? 10.64614 6.50833 -2.70401 1.000 25.22096 ? 84 PHE A HE1 1 # INVALID # ATOM 1185 H HE2 . PHE A 1 89 ? 7.98941 3.53548 -2.80936 1.000 25.41031 ? 84 PHE A HE2 1 # INVALID # ATOM 1186 H HZ . PHE A 1 89 ? 10.01389 4.38357 -2.09422 1.000 26.97175 ? 84 PHE A HZ 1 # INVALID # ATOM 1187 N N . GLY A 1 90 ? 5.21922 7.45706 -7.69331 1.000 17.88432 ? 85 GLY A N 1 # INVALID # ATOM 1188 C CA . GLY A 1 90 ? 4.11543 8.19602 -8.22966 1.000 18.57993 ? 85 GLY A CA 1 # INVALID # ATOM 1189 C C . GLY A 1 90 ? 2.92279 8.05544 -7.33387 1.000 16.75588 ? 85 GLY A C 1 # INVALID # ATOM 1190 O O . GLY A 1 90 ? 2.89511 7.16206 -6.49204 1.000 17.72476 ? 85 GLY A O 1 # INVALID # ATOM 1191 H H . GLY A 1 90 ? 5.07412 6.61500 -7.59591 1.000 21.48906 ? 85 GLY A H 1 # INVALID # ATOM 1192 H HA2 . GLY A 1 90 ? 4.34931 9.13479 -8.29982 1.000 22.32378 ? 85 GLY A HA2 1 # INVALID # ATOM 1193 H HA3 . GLY A 1 90 ? 3.89012 7.85996 -9.11124 1.000 22.32378 ? 85 GLY A HA3 1 # INVALID # ATOM 1194 N N . THR A 1 91 ? 1.93202 8.94419 -7.49892 1.000 18.12155 ? 86 THR A N 1 # INVALID # ATOM 1195 C CA . THR A 1 91 ? 0.73821 8.94059 -6.66085 1.000 18.09427 ? 86 THR A CA 1 # INVALID # ATOM 1196 C C . THR A 1 91 ? -0.53775 8.53232 -7.38936 1.000 19.48548 ? 86 THR A C 1 # INVALID # ATOM 1197 O O . THR A 1 91 ? -1.56214 8.33185 -6.73024 1.000 21.30092 ? 86 THR A O 1 # INVALID # ATOM 1198 C CB . THR A 1 91 ? 0.50571 10.32862 -6.05615 1.000 18.10435 ? 86 THR A CB 1 # INVALID # ATOM 1199 O OG1 . THR A 1 91 ? 0.32572 11.31345 -7.08075 1.000 19.14083 ? 86 THR A OG1 1 # INVALID # ATOM 1200 C CG2 . THR A 1 91 ? 1.67416 10.74075 -5.21496 1.000 22.56721 ? 86 THR A CG2 1 # INVALID # ATOM 1201 H H . THR A 1 91 ? 1.93409 9.56229 -8.09687 1.000 21.77373 ? 86 THR A H 1 # INVALID # ATOM 1202 H HA . THR A 1 91 ? 0.89134 8.30570 -5.94366 1.000 21.74100 ? 86 THR A HA 1 # INVALID # ATOM 1203 H HB . THR A 1 91 ? -0.29299 10.28627 -5.50735 1.000 21.75309 ? 86 THR A HB 1 # INVALID # ATOM 1204 H HG1 . THR A 1 91 ? -0.40604 11.18862 -7.47386 1.000 22.99688 ? 86 THR A HG1 1 # INVALID # ATOM 1205 H HG21 . THR A 1 91 ? 2.42110 10.98721 -5.78262 1.000 27.10853 ? 86 THR A HG21 1 # INVALID # ATOM 1206 H HG22 . THR A 1 91 ? 1.43378 11.50138 -4.66309 1.000 27.10853 ? 86 THR A HG22 1 # INVALID # ATOM 1207 H HG23 . THR A 1 91 ? 1.94414 10.00755 -4.64012 1.000 27.10853 ? 86 THR A HG23 1 # INVALID # ATOM 1208 N N . ALA A 1 92 ? -0.52553 8.41717 -8.71415 1.000 16.81063 ? 87 ALA A N 1 # INVALID # ATOM 1209 C CA . ALA A 1 92 ? -1.75817 8.13874 -9.44004 1.000 16.52185 ? 87 ALA A CA 1 # INVALID # ATOM 1210 C C . ALA A 1 92 ? -2.23988 6.73119 -9.14711 1.000 19.13274 ? 87 ALA A C 1 # INVALID # ATOM 1211 O O . ALA A 1 92 ? -1.52763 5.74910 -9.38303 1.000 21.66864 ? 87 ALA A O 1 # INVALID # ATOM 1212 C CB . ALA A 1 92 ? -1.56056 8.31846 -10.93906 1.000 21.44770 ? 87 ALA A CB 1 # INVALID # ATOM 1213 H H . ALA A 1 92 ? 0.17404 8.49498 -9.20827 1.000 20.20063 ? 87 ALA A H 1 # INVALID # ATOM 1214 H HA . ALA A 1 92 ? -2.43322 8.76852 -9.14243 1.000 19.85409 ? 87 ALA A HA 1 # INVALID # ATOM 1215 H HB1 . ALA A 1 92 ? -2.39007 8.10582 -11.39468 1.000 25.76512 ? 87 ALA A HB1 1 # INVALID # ATOM 1216 H HB2 . ALA A 1 92 ? -1.31219 9.23914 -11.11671 1.000 25.76512 ? 87 ALA A HB2 1 # INVALID # ATOM 1217 H HB3 . ALA A 1 92 ? -0.85646 7.72224 -11.23850 1.000 25.76512 ? 87 ALA A HB3 1 # INVALID # ATOM 1218 N N . GLY A 1 93 ? -3.47100 6.64486 -8.65576 1.000 17.62085 ? 88 GLY A N 1 # INVALID # ATOM 1219 C CA . GLY A 1 93 ? -4.06973 5.36585 -8.34369 1.000 21.24701 ? 88 GLY A CA 1 # INVALID # ATOM 1220 C C . GLY A 1 93 ? -3.63332 4.76299 -7.03195 1.000 23.02047 ? 88 GLY A C 1 # INVALID # ATOM 1221 O O . GLY A 1 93 ? -3.95446 3.60001 -6.76134 1.000 25.04784 ? 88 GLY A O 1 # INVALID # ATOM 1222 H H . GLY A 1 93 ? -3.97895 7.31996 -8.49503 1.000 21.17289 ? 88 GLY A H 1 # INVALID # ATOM 1223 H HA2 . GLY A 1 93 ? -5.03328 5.47338 -8.31354 1.000 25.52429 ? 88 GLY A HA2 1 # INVALID # ATOM 1224 H HA3 . GLY A 1 93 ? -3.84394 4.73758 -9.04739 1.000 25.52429 ? 88 GLY A HA3 1 # INVALID # ATOM 1225 N N . GLY A 1 94 ? -2.93784 5.51623 -6.21103 1.000 19.59633 ? 89 GLY A N 1 # INVALID # ATOM 1226 C CA . GLY A 1 94 ? -2.25976 4.99336 -5.04818 1.000 19.29867 ? 89 GLY A CA 1 # INVALID # ATOM 1227 C C . GLY A 1 94 ? -0.76590 4.99728 -5.27710 1.000 19.73545 ? 89 GLY A C 1 # INVALID # ATOM 1228 O O . GLY A 1 94 ? -0.27830 4.83247 -6.40217 1.000 20.19365 ? 89 GLY A O 1 # INVALID # ATOM 1229 H H . GLY A 1 94 ? -2.83900 6.36499 -6.30819 1.000 23.54347 ? 89 GLY A H 1 # INVALID # ATOM 1230 H HA2 . GLY A 1 94 ? -2.46194 5.54088 -4.27342 1.000 23.18628 ? 89 GLY A HA2 1 # INVALID # ATOM 1231 H HA3 . GLY A 1 94 ? -2.55058 4.08400 -4.87680 1.000 23.18628 ? 89 GLY A HA3 1 # INVALID # ATOM 1232 N N . VAL A 1 95 ? -0.02411 5.13876 -4.18204 1.000 16.74229 ? 90 VAL A N 1 # INVALID # ATOM 1233 C CA . VAL A 1 95 ? 1.42249 5.25331 -4.30135 1.000 17.63265 ? 90 VAL A CA 1 # INVALID # ATOM 1234 C C . VAL A 1 95 ? 1.99637 3.98738 -4.92152 1.000 19.34697 ? 90 VAL A C 1 # INVALID # ATOM 1235 O O . VAL A 1 95 ? 1.59990 2.85592 -4.61029 1.000 20.86137 ? 90 VAL A O 1 # INVALID # ATOM 1236 C CB . VAL A 1 95 ? 2.07488 5.54532 -2.94155 1.000 20.85978 ? 90 VAL A CB 1 # INVALID # ATOM 1237 C CG1 . VAL A 1 95 ? 3.60672 5.34765 -3.00704 1.000 19.00065 ? 90 VAL A CG1 1 # INVALID # ATOM 1238 C CG2 . VAL A 1 95 ? 1.67545 6.94393 -2.49698 1.000 19.62246 ? 90 VAL A CG2 1 # INVALID # ATOM 1239 H H . VAL A 1 95 ? -0.32752 5.17048 -3.37796 1.000 20.11862 ? 90 VAL A H 1 # INVALID # ATOM 1240 H HA . VAL A 1 95 ? 1.61586 6.00083 -4.88849 1.000 21.18705 ? 90 VAL A HA 1 # INVALID # ATOM 1241 H HB . VAL A 1 95 ? 1.76073 4.91814 -2.27158 1.000 25.05961 ? 90 VAL A HB 1 # INVALID # ATOM 1242 H HG11 . VAL A 1 95 ? 4.01403 5.78032 -2.24036 1.000 22.82866 ? 90 VAL A HG11 1 # INVALID # ATOM 1243 H HG12 . VAL A 1 95 ? 3.80342 4.39789 -2.99405 1.000 22.82866 ? 90 VAL A HG12 1 # INVALID # ATOM 1244 H HG13 . VAL A 1 95 ? 3.94147 5.74359 -3.82684 1.000 22.82866 ? 90 VAL A HG13 1 # INVALID # ATOM 1245 H HG21 . VAL A 1 95 ? 2.12448 7.15028 -1.66230 1.000 23.57482 ? 90 VAL A HG21 1 # INVALID # ATOM 1246 H HG22 . VAL A 1 95 ? 1.93901 7.57986 -3.18038 1.000 23.57482 ? 90 VAL A HG22 1 # INVALID # ATOM 1247 H HG23 . VAL A 1 95 ? 0.71406 6.97286 -2.37133 1.000 23.57482 ? 90 VAL A HG23 1 # INVALID # ATOM 1248 N N . TYR A 1 96 ? 2.97244 4.18266 -5.79467 1.000 17.36534 ? 91 TYR A N 1 # INVALID # ATOM 1249 C CA . TYR A 1 96 ? 3.65691 3.08661 -6.45280 1.000 18.60570 ? 91 TYR A CA 1 # INVALID # ATOM 1250 C C . TYR A 1 96 ? 5.09689 3.48303 -6.70209 1.000 17.59072 ? 91 TYR A C 1 # INVALID # ATOM 1251 O O . TYR A 1 96 ? 5.40575 4.66268 -6.82562 1.000 17.59009 ? 91 TYR A O 1 # INVALID # ATOM 1252 C CB . TYR A 1 96 ? 2.97149 2.72400 -7.77133 1.000 18.47741 ? 91 TYR A CB 1 # INVALID # ATOM 1253 C CG . TYR A 1 96 ? 3.04731 3.80351 -8.84210 1.000 19.29307 ? 91 TYR A CG 1 # INVALID # ATOM 1254 C CD1 . TYR A 1 96 ? 2.10651 4.80371 -8.90240 1.000 17.48694 ? 91 TYR A CD1 1 # INVALID # ATOM 1255 C CD2 . TYR A 1 96 ? 4.05388 3.80420 -9.79885 1.000 20.10276 ? 91 TYR A CD2 1 # INVALID # ATOM 1256 C CE1 . TYR A 1 96 ? 2.14583 5.76854 -9.88185 1.000 17.91965 ? 91 TYR A CE1 1 # INVALID # ATOM 1257 C CE2 . TYR A 1 96 ? 4.08466 4.75348 -10.77977 1.000 18.48247 ? 91 TYR A CE2 1 # INVALID # ATOM 1258 C CZ . TYR A 1 96 ? 3.17429 5.77485 -10.79614 1.000 16.98895 ? 91 TYR A CZ 1 # INVALID # ATOM 1259 O OH . TYR A 1 96 ? 3.22781 6.76866 -11.77005 1.000 21.71076 ? 91 TYR A OH 1 # INVALID # ATOM 1260 H H . TYR A 1 96 ? 3.26196 4.95842 -6.02699 1.000 20.86628 ? 91 TYR A H 1 # INVALID # ATOM 1261 H HA . TYR A 1 96 ? 3.65543 2.30494 -5.87843 1.000 22.35472 ? 91 TYR A HA 1 # INVALID # ATOM 1262 H HB2 . TYR A 1 96 ? 3.39269 1.92686 -8.12916 1.000 22.20077 ? 91 TYR A HB2 1 # INVALID # ATOM 1263 H HB3 . TYR A 1 96 ? 2.03326 2.55261 -7.59457 1.000 22.20077 ? 91 TYR A HB3 1 # INVALID # ATOM 1264 H HD1 . TYR A 1 96 ? 1.42816 4.82865 -8.26670 1.000 21.01220 ? 91 TYR A HD1 1 # INVALID # ATOM 1265 H HD2 . TYR A 1 96 ? 4.71473 3.15044 -9.77110 1.000 24.15118 ? 91 TYR A HD2 1 # INVALID # ATOM 1266 H HE1 . TYR A 1 96 ? 1.47889 6.41518 -9.92612 1.000 21.53145 ? 91 TYR A HE1 1 # INVALID # ATOM 1267 H HE2 . TYR A 1 96 ? 4.73258 4.70524 -11.44519 1.000 22.20684 ? 91 TYR A HE2 1 # INVALID # ATOM 1268 H HH . TYR A 1 96 ? 3.72880 7.39321 -11.51598 1.000 26.08078 ? 91 TYR A HH 1 # INVALID # ATOM 1269 N N . LYS A 1 97 ? 5.97015 2.48227 -6.81213 1.000 17.13028 ? 92 LYS A N 1 # INVALID # ATOM 1270 C CA . LYS A 1 97 ? 7.37737 2.70566 -7.11313 1.000 20.07637 ? 92 LYS A CA 1 # INVALID # ATOM 1271 C C . LYS A 1 97 ? 7.60450 2.71501 -8.62010 1.000 18.37676 ? 92 LYS A C 1 # INVALID # ATOM 1272 O O . LYS A 1 97 ? 7.22501 1.77253 -9.33168 1.000 19.35463 ? 92 LYS A O 1 # INVALID # ATOM 1273 C CB . LYS A 1 97 ? 8.23378 1.61517 -6.47072 1.000 22.25164 ? 92 LYS A CB 1 # INVALID # ATOM 1274 C CG . LYS A 1 97 ? 8.52097 1.74315 -5.00150 1.000 29.43188 ? 92 LYS A CG 1 # INVALID # ATOM 1275 C CD . LYS A 1 97 ? 9.44570 0.61349 -4.46792 1.000 46.95444 ? 92 LYS A CD 1 # INVALID # ATOM 1276 C CE . LYS A 1 97 ? 8.93763 -0.79806 -4.80585 1.000 52.49615 ? 92 LYS A CE 1 # INVALID # ATOM 1277 N NZ . LYS A 1 97 ? 8.16242 -1.46261 -3.69835 1.000 58.07176 ? 92 LYS A NZ 1 # INVALID # ATOM 1278 H H . LYS A 1 97 ? 5.76552 1.65267 -6.71468 1.000 20.58421 ? 92 LYS A H 1 # INVALID # ATOM 1279 H HA . LYS A 1 97 ? 7.64354 3.56936 -6.76089 1.000 24.11952 ? 92 LYS A HA 1 # INVALID # ATOM 1280 H HB2 . LYS A 1 97 ? 7.77988 0.76708 -6.59571 1.000 26.72984 ? 92 LYS A HB2 1 # INVALID # ATOM 1281 H HB3 . LYS A 1 97 ? 9.09087 1.60282 -6.92476 1.000 26.72984 ? 92 LYS A HB3 1 # INVALID # ATOM 1282 H HG2 . LYS A 1 97 ? 8.96059 2.59219 -4.83789 1.000 35.34612 ? 92 LYS A HG2 1 # INVALID # ATOM 1283 H HG3 . LYS A 1 97 ? 7.68508 1.70243 -4.51106 1.000 35.34612 ? 92 LYS A HG3 1 # INVALID # ATOM 1284 H HD2 . LYS A 1 97 ? 10.32601 0.71500 -4.86245 1.000 56.37321 ? 92 LYS A HD2 1 # INVALID # ATOM 1285 H HD3 . LYS A 1 97 ? 9.50463 0.68504 -3.50236 1.000 56.37321 ? 92 LYS A HD3 1 # INVALID # ATOM 1286 H HE2 . LYS A 1 97 ? 8.35357 -0.74056 -5.57816 1.000 63.02325 ? 92 LYS A HE2 1 # INVALID # ATOM 1287 H HE3 . LYS A 1 97 ? 9.70058 -1.36187 -5.00812 1.000 63.02325 ? 92 LYS A HE3 1 # INVALID # ATOM 1288 H HZ1 . LYS A 1 97 ? 7.89942 -2.27326 -3.95484 1.000 69.71398 ? 92 LYS A HZ1 1 # INVALID # ATOM 1289 H HZ2 . LYS A 1 97 ? 8.67308 -1.54048 -2.97360 1.000 69.71398 ? 92 LYS A HZ2 1 # INVALID # ATOM 1290 H HZ3 . LYS A 1 97 ? 7.44479 -0.97696 -3.49522 1.000 69.71398 ? 92 LYS A HZ3 1 # INVALID # ATOM 1291 N N . CYS A 1 98 ? 8.22120 3.78776 -9.11151 1.000 16.74570 ? 93 CYS A N 1 # INVALID # ATOM 1292 C CA . CYS A 1 98 ? 8.55698 3.87528 -10.51999 1.000 18.46879 ? 93 CYS A CA 1 # INVALID # ATOM 1293 C C . CYS A 1 98 ? 9.72794 2.95851 -10.80582 1.000 18.29837 ? 93 CYS A C 1 # INVALID # ATOM 1294 O O . CYS A 1 98 ? 10.47956 2.58294 -9.90677 1.000 20.98994 ? 93 CYS A O 1 # INVALID # ATOM 1295 C CB . CYS A 1 98 ? 8.90014 5.31214 -10.89635 1.000 17.02904 ? 93 CYS A CB 1 # INVALID # ATOM 1296 S SG . CYS A 1 98 ? 7.52572 6.44089 -10.55186 1.000 17.09017 ? 93 CYS A SG 1 # INVALID # ATOM 1297 H H . CYS A 1 98 ? 8.45335 4.47390 -8.64792 1.000 20.12272 ? 93 CYS A H 1 # INVALID # ATOM 1298 H HA . CYS A 1 98 ? 7.80406 3.60483 -11.06850 1.000 22.19042 ? 93 CYS A HA 1 # INVALID # ATOM 1299 H HB2 . CYS A 1 98 ? 9.66946 5.60237 -10.38174 1.000 20.46272 ? 93 CYS A HB2 1 # INVALID # ATOM 1300 H HB3 . CYS A 1 98 ? 9.09987 5.35525 -11.84458 1.000 20.46272 ? 93 CYS A HB3 1 # INVALID # ATOM 1301 N N . THR A 1 99 ? 9.87620 2.60907 -12.07360 1.000 19.58064 ? 94 THR A N 1 # INVALID # ATOM 1302 C CA . THR A 1 99 ? 10.90179 1.67062 -12.52058 1.000 23.41060 ? 94 THR A CA 1 # INVALID # ATOM 1303 C C . THR A 1 99 ? 12.12092 2.43386 -13.02013 1.000 19.41303 ? 94 THR A C 1 # INVALID # ATOM 1304 O O . THR A 1 99 ? 12.00916 3.24861 -13.94047 1.000 21.92717 ? 94 THR A O 1 # INVALID # ATOM 1305 C CB . THR A 1 99 ? 10.35270 0.78227 -13.63125 1.000 23.74737 ? 94 THR A CB 1 # INVALID # ATOM 1306 O OG1 . THR A 1 99 ? 9.30187 -0.03463 -13.09949 1.000 28.07707 ? 94 THR A OG1 1 # INVALID # ATOM 1307 C CG2 . THR A 1 99 ? 11.44806 -0.12036 -14.17480 1.000 29.26057 ? 94 THR A CG2 1 # INVALID # ATOM 1308 H H . THR A 1 99 ? 9.38394 2.90787 -12.71235 1.000 23.52464 ? 94 THR A H 1 # INVALID # ATOM 1309 H HA . THR A 1 99 ? 11.17763 1.12028 -11.77095 1.000 28.12059 ? 94 THR A HA 1 # INVALID # ATOM 1310 H HB . THR A 1 99 ? 10.01426 1.33196 -14.35526 1.000 28.52471 ? 94 THR A HB 1 # INVALID # ATOM 1311 H HG1 . THR A 1 99 ? 8.60984 0.42710 -12.98335 1.000 33.72035 ? 94 THR A HG1 1 # INVALID # ATOM 1312 H HG21 . THR A 1 99 ? 11.97493 0.35753 -14.83430 1.000 35.14055 ? 94 THR A HG21 1 # INVALID # ATOM 1313 H HG22 . THR A 1 99 ? 12.03048 -0.40640 -13.45378 1.000 35.14055 ? 94 THR A HG22 1 # INVALID # ATOM 1314 H HG23 . THR A 1 99 ? 11.05607 -0.90328 -14.59226 1.000 35.14055 ? 94 THR A HG23 1 # INVALID # ATOM 1315 N N . LEU A 1 100 ? 13.28110 2.17238 -12.41166 1.000 24.12652 ? 95 LEU A N 1 # INVALID # ATOM 1316 C CA . LEU A 1 100 ? 14.51635 2.75337 -12.91820 1.000 24.30299 ? 95 LEU A CA 1 # INVALID # ATOM 1317 C C . LEU A 1 100 ? 14.93147 2.04057 -14.18639 1.000 22.66978 ? 95 LEU A C 1 # INVALID # ATOM 1318 O O . LEU A 1 100 ? 15.06337 0.81482 -14.20019 1.000 28.85723 ? 95 LEU A O 1 # INVALID # ATOM 1319 C CB . LEU A 1 100 ? 15.63686 2.65608 -11.89049 1.000 23.93349 ? 95 LEU A CB 1 # INVALID # ATOM 1320 C CG . LEU A 1 100 ? 16.94057 3.39503 -12.27922 1.000 26.32039 ? 95 LEU A CG 1 # INVALID # ATOM 1321 C CD1 . LEU A 1 100 ? 16.82478 4.81849 -12.74791 1.000 27.68990 ? 95 LEU A CD1 1 # INVALID # ATOM 1322 C CD2 . LEU A 1 100 ? 17.92842 3.33221 -11.09154 1.000 32.97564 ? 95 LEU A CD2 1 # INVALID # ATOM 1323 H H . LEU A 1 100 ? 13.37340 1.67165 -11.71858 1.000 28.97970 ? 95 LEU A H 1 # INVALID # ATOM 1324 H HA . LEU A 1 100 ? 14.36535 3.69303 -13.10565 1.000 29.19147 ? 95 LEU A HA 1 # INVALID # ATOM 1325 H HB2 . LEU A 1 100 ? 15.32221 3.03770 -11.05606 1.000 28.74806 ? 95 LEU A HB2 1 # INVALID # ATOM 1326 H HB3 . LEU A 1 100 ? 15.85778 1.71999 -11.76473 1.000 28.74806 ? 95 LEU A HB3 1 # INVALID # ATOM 1327 H HG . LEU A 1 100 ? 17.26031 2.92532 -13.06537 1.000 31.61234 ? 95 LEU A HG 1 # INVALID # ATOM 1328 H HD11 . LEU A 1 100 ? 17.70970 5.15382 -12.96090 1.000 33.25575 ? 95 LEU A HD11 1 # INVALID # ATOM 1329 H HD12 . LEU A 1 100 ? 16.26168 4.84626 -13.53724 1.000 33.25575 ? 95 LEU A HD12 1 # INVALID # ATOM 1330 H HD13 . LEU A 1 100 ? 16.42996 5.35261 -12.04098 1.000 33.25575 ? 95 LEU A HD13 1 # INVALID # ATOM 1331 H HD21 . LEU A 1 100 ? 18.73189 3.82404 -11.32272 1.000 39.59864 ? 95 LEU A HD21 1 # INVALID # ATOM 1332 H HD22 . LEU A 1 100 ? 17.51029 3.72949 -10.31165 1.000 39.59864 ? 95 LEU A HD22 1 # INVALID # ATOM 1333 H HD23 . LEU A 1 100 ? 18.14842 2.40461 -10.91249 1.000 39.59864 ? 95 LEU A HD23 1 # INVALID # ATOM 1334 N N . VAL A 1 101 ? 15.15385 2.81086 -15.23491 1.000 22.23210 ? 96 VAL A N 1 # INVALID # ATOM 1335 C CA . VAL A 1 101 ? 15.61094 2.30376 -16.52113 1.000 21.51297 ? 96 VAL A CA 1 # INVALID # ATOM 1336 C C . VAL A 1 101 ? 17.03717 2.81778 -16.68062 1.000 23.66750 ? 96 VAL A C 1 # INVALID # ATOM 1337 O O . VAL A 1 101 ? 17.25315 3.98820 -16.99687 1.000 23.76994 ? 96 VAL A O 1 # INVALID # ATOM 1338 C CB . VAL A 1 101 ? 14.69934 2.75744 -17.66349 1.000 22.57700 ? 96 VAL A CB 1 # INVALID # ATOM 1339 C CG1 . VAL A 1 101 ? 15.16891 2.16322 -18.99683 1.000 26.86167 ? 96 VAL A CG1 1 # INVALID # ATOM 1340 C CG2 . VAL A 1 101 ? 13.25059 2.36709 -17.33727 1.000 25.87820 ? 96 VAL A CG2 1 # INVALID # ATOM 1341 H H . VAL A 1 101 ? 15.04367 3.66375 -15.22860 1.000 26.70640 ? 96 VAL A H 1 # INVALID # ATOM 1342 H HA . VAL A 1 101 ? 15.62585 1.33387 -16.52222 1.000 25.84344 ? 96 VAL A HA 1 # INVALID # ATOM 1343 H HB . VAL A 1 101 ? 14.73784 3.72181 -17.76045 1.000 27.12028 ? 96 VAL A HB 1 # INVALID # ATOM 1344 H HG11 . VAL A 1 101 ? 14.46170 2.26238 -19.65327 1.000 32.26187 ? 96 VAL A HG11 1 # INVALID # ATOM 1345 H HG12 . VAL A 1 101 ? 15.96254 2.63672 -19.29154 1.000 32.26187 ? 96 VAL A HG12 1 # INVALID # ATOM 1346 H HG13 . VAL A 1 101 ? 15.37262 1.22344 -18.86946 1.000 32.26187 ? 96 VAL A HG13 1 # INVALID # ATOM 1347 H HG21 . VAL A 1 101 ? 12.71656 2.43232 -18.14440 1.000 31.08171 ? 96 VAL A HG21 1 # INVALID # ATOM 1348 H HG22 . VAL A 1 101 ? 13.23635 1.45628 -17.00392 1.000 31.08171 ? 96 VAL A HG22 1 # INVALID # ATOM 1349 H HG23 . VAL A 1 101 ? 12.90495 2.97184 -16.66219 1.000 31.08171 ? 96 VAL A HG23 1 # INVALID # ATOM 1350 N N . LEU A 1 102 ? 18.02435 1.96666 -16.43119 1.000 29.63130 ? 97 LEU A N 1 # INVALID # ATOM 1351 C CA . LEU A 1 102 ? 19.40958 2.38631 -16.62248 1.000 27.30561 ? 97 LEU A CA 1 # INVALID # ATOM 1352 C C . LEU A 1 102 ? 19.79351 2.35004 -18.09442 1.000 35.26942 ? 97 LEU A C 1 # INVALID # ATOM 1353 O O . LEU A 1 102 ? 19.41062 1.43537 -18.82812 1.000 38.09832 ? 97 LEU A O 1 # INVALID # ATOM 1354 C CB . LEU A 1 102 ? 20.35482 1.50349 -15.81000 1.000 33.29061 ? 97 LEU A CB 1 # INVALID # ATOM 1355 C CG . LEU A 1 102 ? 20.16897 1.59550 -14.29814 1.000 31.98230 ? 97 LEU A CG 1 # INVALID # ATOM 1356 C CD1 . LEU A 1 102 ? 21.00176 0.51489 -13.59994 1.000 42.29187 ? 97 LEU A CD1 1 # INVALID # ATOM 1357 C CD2 . LEU A 1 102 ? 20.57062 2.97025 -13.79256 1.000 33.95519 ? 97 LEU A CD2 1 # INVALID # ATOM 1358 H H . LEU A 1 102 ? 17.92242 1.15817 -16.15633 1.000 35.58543 ? 97 LEU A H 1 # INVALID # ATOM 1359 H HA . LEU A 1 102 ? 19.50783 3.30022 -16.31263 1.000 32.79460 ? 97 LEU A HA 1 # INVALID # ATOM 1360 H HB2 . LEU A 1 102 ? 20.21032 0.57948 -16.06733 1.000 39.97660 ? 97 LEU A HB2 1 # INVALID # ATOM 1361 H HB3 . LEU A 1 102 ? 21.26747 1.76459 -16.00950 1.000 39.97660 ? 97 LEU A HB3 1 # INVALID # ATOM 1362 H HG . LEU A 1 102 ? 19.23314 1.45565 -14.08465 1.000 38.40663 ? 97 LEU A HG 1 # INVALID # ATOM 1363 H HD11 . LEU A 1 102 ? 20.85734 0.57426 -12.64259 1.000 50.77811 ? 97 LEU A HD11 1 # INVALID # ATOM 1364 H HD12 . LEU A 1 102 ? 20.72336 -0.35631 -13.92306 1.000 50.77811 ? 97 LEU A HD12 1 # INVALID # ATOM 1365 H HD13 . LEU A 1 102 ? 21.93940 0.65869 -13.80257 1.000 50.77811 ? 97 LEU A HD13 1 # INVALID # ATOM 1366 H HD21 . LEU A 1 102 ? 20.42355 3.00981 -12.83459 1.000 40.77411 ? 97 LEU A HD21 1 # INVALID # ATOM 1367 H HD22 . LEU A 1 102 ? 21.50894 3.11745 -13.98952 1.000 40.77411 ? 97 LEU A HD22 1 # INVALID # ATOM 1368 H HD23 . LEU A 1 102 ? 20.02990 3.64102 -14.23820 1.000 40.77411 ? 97 LEU A HD23 1 # INVALID # ATOM 1369 N N . ARG A 1 103 ? 20.53132 3.36854 -18.52620 1.000 33.63160 ? 98 ARG A N 1 # INVALID # ATOM 1370 C CA . ARG A 1 103 ? 20.95751 3.49867 -19.91730 1.000 33.46700 ? 98 ARG A CA 1 # INVALID # ATOM 1371 C C . ARG A 1 103 ? 22.47168 3.39459 -19.92249 1.000 36.20971 ? 98 ARG A C 1 # INVALID # ATOM 1372 O O . ARG A 1 103 ? 23.12129 3.85204 -18.97264 1.000 38.21654 ? 98 ARG A O 1 # INVALID # ATOM 1373 C CB . ARG A 1 103 ? 20.49971 4.82300 -20.51232 1.000 31.65025 ? 98 ARG A CB 1 # INVALID # ATOM 1374 C CG . ARG A 1 103 ? 18.99081 4.98020 -20.73822 1.000 33.07695 ? 98 ARG A CG 1 # INVALID # ATOM 1375 C CD . ARG A 1 103 ? 18.39215 4.02949 -21.78165 1.000 31.28634 ? 98 ARG A CD 1 # INVALID # ATOM 1376 N NE . ARG A 1 103 ? 19.03272 4.27793 -23.06988 1.000 31.06374 ? 98 ARG A NE 1 # INVALID # ATOM 1377 C CZ . ARG A 1 103 ? 19.34571 3.33817 -23.95345 1.000 30.47185 ? 98 ARG A CZ 1 # INVALID # ATOM 1378 N NH1 . ARG A 1 103 ? 18.79604 2.13675 -23.90826 1.000 33.79487 ? 98 ARG A NH1 1 # INVALID # ATOM 1379 N NH2 . ARG A 1 103 ? 20.23554 3.60662 -24.90132 1.000 35.14280 ? 98 ARG A NH2 1 # INVALID # ATOM 1380 H H . ARG A 1 103 ? 20.80403 4.01081 -18.02349 1.000 40.38580 ? 98 ARG A H 1 # INVALID # ATOM 1381 H HA . ARG A 1 103 ? 20.56536 2.81116 -20.47806 1.000 40.18828 ? 98 ARG A HA 1 # INVALID # ATOM 1382 H HB2 . ARG A 1 103 ? 20.77412 5.53441 -19.91274 1.000 38.00817 ? 98 ARG A HB2 1 # INVALID # ATOM 1383 H HB3 . ARG A 1 103 ? 20.93019 4.93148 -21.37477 1.000 38.00817 ? 98 ARG A HB3 1 # INVALID # ATOM 1384 H HG2 . ARG A 1 103 ? 18.53443 4.81435 -19.89851 1.000 39.72022 ? 98 ARG A HG2 1 # INVALID # ATOM 1385 H HG3 . ARG A 1 103 ? 18.81658 5.88639 -21.03717 1.000 39.72022 ? 98 ARG A HG3 1 # INVALID # ATOM 1386 H HD2 . ARG A 1 103 ? 18.55251 3.10894 -21.52132 1.000 37.57149 ? 98 ARG A HD2 1 # INVALID # ATOM 1387 H HD3 . ARG A 1 103 ? 17.43914 4.18902 -21.86664 1.000 37.57149 ? 98 ARG A HD3 1 # INVALID # ATOM 1388 H HE . ARG A 1 103 ? 19.22100 5.09264 -23.27090 1.000 37.30436 ? 98 ARG A HE 1 # INVALID # ATOM 1389 H HH11 . ARG A 1 103 ? 18.22141 1.94952 -23.29643 1.000 40.58172 ? 98 ARG A HH11 1 # INVALID # ATOM 1390 H HH12 . ARG A 1 103 ? 19.01309 1.54240 -24.49070 1.000 40.58172 ? 98 ARG A HH12 1 # INVALID # ATOM 1391 H HH21 . ARG A 1 103 ? 20.60303 4.38325 -24.93861 1.000 42.19923 ? 98 ARG A HH21 1 # INVALID # ATOM 1392 H HH22 . ARG A 1 103 ? 20.44449 3.00389 -25.47809 1.000 42.19923 ? 98 ARG A HH22 1 # INVALID # HETATM 1393 O O . HOH B 2 . ? 4.75445 17.23108 -13.57633 1.000 49.18133 ? 101 HOH A O 1 # INVALID # HETATM 1394 O O . HOH B 2 . ? 2.75757 15.39448 -14.65438 1.000 41.94679 ? 102 HOH A O 1 # INVALID # HETATM 1395 O O . HOH B 2 . ? 20.44176 5.80254 -24.41706 1.000 32.66689 ? 103 HOH A O 1 # INVALID # HETATM 1396 O O . HOH B 2 . ? 14.86532 -1.13892 -15.48205 1.000 34.37904 ? 104 HOH A O 1 # INVALID # HETATM 1397 O O . HOH B 2 . ? 9.73627 28.05026 -7.01800 1.000 36.99206 ? 105 HOH A O 1 # INVALID # HETATM 1398 O O . HOH B 2 . ? 4.49745 16.30785 -9.31986 1.000 29.62147 ? 106 HOH A O 1 # INVALID # HETATM 1399 O O . HOH B 2 . ? 25.188 17.090 -28.224 1.000 26.46935 ? 107 HOH A O 1 # INVALID # HETATM 1400 O O . HOH B 2 . ? 3.85754 22.95103 -8.84485 1.000 40.37155 ? 108 HOH A O 1 # INVALID # HETATM 1401 O O . HOH B 2 . ? 1.71619 0.43353 -5.38241 1.000 45.27528 ? 109 HOH A O 1 # INVALID # HETATM 1402 O O . HOH B 2 . ? 23.03095 6.15847 -15.31462 1.000 47.72367 ? 110 HOH A O 1 # INVALID # HETATM 1403 O O . HOH B 2 . ? 6.79160 27.43067 3.15121 1.000 26.63205 ? 111 HOH A O 1 # INVALID # HETATM 1404 O O . HOH B 2 . ? 15.95936 26.02084 -1.10216 1.000 22.87028 ? 112 HOH A O 1 # INVALID # HETATM 1405 O O . HOH B 2 . ? 18.11579 21.72844 -7.84655 1.000 32.44768 ? 113 HOH A O 1 # INVALID # HETATM 1406 O O . HOH B 2 . ? 25.32324 8.16385 -25.56028 1.000 25.84804 ? 114 HOH A O 1 # INVALID # HETATM 1407 O O . HOH B 2 . ? 5.56253 2.74057 -13.56629 1.000 30.19362 ? 115 HOH A O 1 116 A H 0.000 1.000 0.000 117 A H 0.000 1.000 0.000 # INVALID # HETATM 1410 O O . HOH B 2 . ? 18.01408 21.51392 6.40050 1.000 20.38360 ? 118 HOH A O 1 # INVALID # HETATM 1411 O O . HOH B 2 . ? 2.85102 9.02818 -14.88274 1.000 25.42778 ? 119 HOH A O 1 # INVALID # HETATM 1412 O O . HOH B 2 . ? 25.660 14.538 -4.800 1.000 28.74203 ? 120 HOH A O 1 # INVALID # HETATM 1413 O O . HOH B 2 . ? -0.41758 13.73818 -4.35500 1.000 27.98287 ? 121 HOH A O 1 # INVALID # HETATM 1414 O O . HOH B 2 . ? 9.67694 3.69074 -20.70711 1.000 35.31237 ? 122 HOH A O 1 # INVALID # HETATM 1415 O O . HOH B 2 . ? 12.61568 5.00120 -0.32391 1.000 29.26114 ? 123 HOH A O 1 # INVALID # HETATM 1416 O O . HOH B 2 . ? 10.501 15.336 -19.231 1.000 45.86181 ? 124 HOH A O 1 # INVALID # HETATM 1417 O O . HOH B 2 . ? 10.99780 23.02884 -5.92976 1.000 38.62625 ? 125 HOH A O 1 # INVALID # HETATM 1418 O O . HOH B 2 . ? 13.93458 18.65652 -10.53914 1.000 23.76341 ? 126 HOH A O 1 # INVALID # HETATM 1419 O O . HOH B 2 . ? 18.57191 13.54625 10.46235 1.000 32.19671 ? 127 HOH A O 1 # INVALID # HETATM 1420 O O . HOH B 2 . ? 21.41262 12.14796 3.70777 1.000 21.77095 ? 128 HOH A O 1 # INVALID # HETATM 1421 O O . HOH B 2 . ? 14.87951 20.47783 -12.42588 1.000 33.00398 ? 129 HOH A O 1 # INVALID # HETATM 1422 O O . HOH B 2 . ? 18.88071 26.14246 3.43306 1.000 43.11981 ? 130 HOH A O 1 # INVALID # HETATM 1423 O O . HOH B 2 . ? -1.56998 11.42536 -9.02329 1.000 38.12346 ? 131 HOH A O 1 # INVALID # HETATM 1424 O O . HOH B 2 . ? 8.43771 13.89412 8.13927 1.000 27.01848 ? 132 HOH A O 1 # INVALID # HETATM 1425 O O . HOH B 2 . ? 9.425 13.820 -19.157 1.000 36.57257 ? 133 HOH A O 1 # INVALID # HETATM 1426 O O . HOH B 2 . ? 16.39299 17.10354 -22.04133 1.000 47.88361 ? 134 HOH A O 1 # INVALID # HETATM 1427 O O . HOH B 2 . ? 2.48508 27.02272 -2.01076 1.000 36.41091 ? 135 HOH A O 1 # INVALID # HETATM 1428 O O . HOH B 2 . ? 11.12075 19.24450 -7.96555 1.000 26.94699 ? 136 HOH A O 1 # INVALID # HETATM 1429 O O . HOH B 2 . ? 26.21576 11.87452 -5.23356 1.000 22.54335 ? 137 HOH A O 1 # INVALID # HETATM 1430 O O . HOH B 2 . ? 14.62975 26.56257 3.16554 1.000 22.61153 ? 138 HOH A O 1 # INVALID # HETATM 1431 O O . HOH B 2 . ? 21.29943 7.38385 -7.23772 1.000 38.98068 ? 139 HOH A O 1 # INVALID # HETATM 1432 O O . HOH B 2 . ? 24.17126 8.67426 2.09332 1.000 26.00660 ? 140 HOH A O 1 # INVALID # HETATM 1433 O O . HOH B 2 . ? 19.81196 26.93200 0.00000 0.50 32.33119 ? 141 HOH A O 1 # INVALID # HETATM 1434 O O . HOH B 2 . ? 21.395 17.290 5.758 1.000 27.53386 ? 142 HOH A O 1 # INVALID # HETATM 1435 O O . HOH B 2 . ? 0.84100 7.75862 -16.57282 1.000 20.02943 ? 143 HOH A O 1 # INVALID # HETATM 1436 O O . HOH B 2 . ? 19.370 13.285 -23.952 1.000 34.23554 ? 144 HOH A O 1 # INVALID # HETATM 1437 O O . HOH B 2 . ? 20.40246 1.40142 -26.60879 1.000 35.13438 ? 145 HOH A O 1 # INVALID # HETATM 1438 O O . HOH B 2 . ? 11.22895 18.51143 -10.63524 1.000 28.00718 ? 146 HOH A O 1 # INVALID # HETATM 1439 O O . HOH B 2 . ? 20.60715 17.98806 -12.26745 1.000 36.69488 ? 147 HOH A O 1 # INVALID # HETATM 1440 O O . HOH B 2 . ? 19.69759 18.00800 8.48175 1.000 23.06794 ? 148 HOH A O 1 # INVALID # HETATM 1441 O O . HOH B 2 . ? 13.36225 0.36293 -10.23905 1.000 33.75257 ? 149 HOH A O 1 # INVALID # HETATM 1442 O O . HOH B 2 . ? -1.00337 2.77790 -8.20896 1.000 24.91350 ? 150 HOH A O 1 # INVALID # HETATM 1443 O O . HOH B 2 . ? 23.71541 21.67580 1.66371 1.000 23.85777 ? 151 HOH A O 1 # INVALID # HETATM 1444 O O . HOH B 2 . ? 19.56279 22.30841 4.13229 1.000 25.07412 ? 152 HOH A O 1 # INVALID # HETATM 1445 O O . HOH B 2 . ? 17.35450 -0.83092 -16.57383 1.000 36.93853 ? 153 HOH A O 1 154 R H 0.000 1.000 0.000 # INVALID # HETATM 1447 O O . HOH B 2 . ? 1.66715 9.24305 -10.61654 1.000 20.86413 ? 155 HOH A O 1 # INVALID # HETATM 1448 O O . HOH B 2 . ? 8.15098 -0.91087 -15.65082 1.000 42.44177 ? 156 HOH A O 1 157 Y H 0.000 1.000 0.000 # INVALID # HETATM 1450 O O . HOH B 2 . ? 15.61198 9.83035 7.69723 1.000 31.68492 ? 158 HOH A O 1 # INVALID # HETATM 1451 O O . HOH B 2 . ? 22.47202 9.67109 -16.10137 1.000 47.75627 ? 159 HOH A O 1 # INVALID # HETATM 1452 O O . HOH B 2 . ? 12.14584 3.87875 -7.83163 1.000 29.70741 ? 160 HOH A O 1 # INVALID # HETATM 1453 O O . HOH B 2 . ? 22.08303 19.33433 -1.83663 1.000 24.54470 ? 161 HOH A O 1 # INVALID # HETATM 1454 O O . HOH B 2 . ? -2.72332 2.21406 -12.83669 1.000 28.31777 ? 162 HOH A O 1 # INVALID # HETATM 1455 O O . HOH B 2 . ? 18.27305 3.38147 -3.96621 1.000 31.69376 ? 163 HOH A O 1 # INVALID # HETATM 1456 O O . HOH B 2 . ? 7.29960 11.91404 5.13611 1.000 36.36421 ? 164 HOH A O 1 # INVALID # HETATM 1457 O O . HOH B 2 . ? 22.57144 14.79476 4.88392 1.000 23.24103 ? 165 HOH A O 1 # INVALID # HETATM 1458 O O . HOH B 2 . ? 25.62826 18.52521 -0.45839 1.000 22.37870 ? 166 HOH A O 1 # INVALID # HETATM 1459 O O . HOH B 2 . ? 11.16329 25.37872 -5.92043 1.000 35.90998 ? 167 HOH A O 1 # INVALID # HETATM 1460 O O . HOH B 2 . ? 18.12288 25.99017 -2.54282 1.000 35.48974 ? 168 HOH A O 1 # INVALID # HETATM 1461 O O . HOH B 2 . ? 22.72084 8.34338 -18.00520 1.000 41.02207 ? 169 HOH A O 1 # INVALID # HETATM 1462 O O . HOH B 2 . ? 9.196 15.814 -20.686 1.000 43.58888 ? 170 HOH A O 1 # INVALID # HETATM 1463 O O . HOH B 2 . ? 13.707 26.218 -5.774 1.000 31.11454 ? 171 HOH A O 1 # INVALID # HETATM 1464 O O . HOH B 2 . ? 20.90534 24.81170 3.60730 1.000 40.67556 ? 172 HOH A O 1 # INVALID # HETATM 1465 O O . HOH B 2 . ? 24.12631 20.75956 -3.10776 1.000 35.38928 ? 173 HOH A O 1 # INVALID # HETATM 1466 O O . HOH B 2 . ? 22.293 22.926 -30.504 1.000 32.41319 ? 174 HOH A O 1 # INVALID # HETATM 1467 O O . HOH B 2 . ? 13.95581 20.40242 -8.37155 1.000 26.43518 ? 175 HOH A O 1 # INVALID # HETATM 1468 O O . HOH B 2 . ? 16.97719 19.60604 -14.11121 1.000 43.99513 ? 176 HOH A O 1 # INVALID # HETATM 1469 O O . HOH B 2 . ? 15.91965 22.72894 -8.52698 1.000 30.27086 ? 177 HOH A O 1 # INVALID # HETATM 1470 O O . HOH B 2 . ? 19.95056 19.85557 -13.66400 1.000 46.57816 ? 178 HOH A O 1 # INVALID # HETATM 1471 O O . HOH B 2 . ? 25.20250 3.90137 -15.45325 0.50 42.47716 ? 179 HOH A O 1 180 M H 0.000 1.000 0.000 # INVALID # HETATM 1473 O O . HOH B 2 . ? 22.71184 24.32829 1.90840 1.000 30.04638 ? 181 HOH A O 1 # INVALID # HETATM 1474 O O . HOH B 2 . ? 15.93913 -2.18707 -11.44150 1.000 51.33305 ? 182 HOH A O 1 183 D H 0.000 1.000 0.000 # INVALID # HETATM 1476 O O . HOH B 2 . ? 15.88898 25.15190 -7.58959 1.000 32.68383 ? 184 HOH A O 1 # INVALID # HETATM 1477 O O . HOH B 2 . ? 15.78201 22.71484 -11.23263 1.000 33.06341 ? 185 HOH A O 1 # INVALID # HETATM 1478 O O . HOH B 2 . ? 13.80140 -2.21331 -10.98850 1.000 51.14762 ? 186 HOH A O 1 # INVALID # HETATM 1479 O O . HOH B 2 . ? 14.655 3.111 8.705 1.000 43.56575 ? 187 HOH A O 1 # INVALID # HETATM 1480 O O . HOH B 2 . ? 19.87012 -0.58981 -10.35519 1.000 33.52943 ? 188 HOH A O 1 # # INVALID # loop_ # INVALID # _pdbx_poly_seq_scheme.asym_id # INVALID # _pdbx_poly_seq_scheme.entity_id # INVALID # _pdbx_poly_seq_scheme.seq_id # INVALID # _pdbx_poly_seq_scheme.mon_id # INVALID # _pdbx_poly_seq_scheme.ndb_seq_num # INVALID # _pdbx_poly_seq_scheme.pdb_seq_num # INVALID # _pdbx_poly_seq_scheme.auth_seq_num # INVALID # _pdbx_poly_seq_scheme.pdb_mon_id # INVALID # _pdbx_poly_seq_scheme.auth_mon_id # INVALID # _pdbx_poly_seq_scheme.pdb_strand_id # INVALID # _pdbx_poly_seq_scheme.pdb_ins_code # INVALID # _pdbx_poly_seq_scheme.hetero # INVALID # A 1 1 GLY 1 -4 -4 GLY GLY A . n # INVALID # A 1 2 PRO 2 -3 -3 PRO PRO A . n # INVALID # A 1 3 LEU 3 -2 -2 LEU LEU A . n # INVALID # A 1 4 GLY 4 -1 -1 GLY GLY A . n # INVALID # A 1 5 SER 5 0 0 SER SER A . n # INVALID # A 1 6 MET 6 1 1 MET MET A . n # INVALID # A 1 7 GLU 7 2 2 GLU GLU A . n # INVALID # A 1 8 SER 8 3 3 SER SER A . n # INVALID # A 1 9 TYR 9 4 4 TYR TYR A . n # INVALID # A 1 10 TRP 10 5 5 TRP TRP A . n # INVALID # A 1 11 ASP 11 6 6 ASP ASP A . n # INVALID # A 1 12 CYS 12 7 7 CYS CYS A . n # INVALID # A 1 13 LYS 13 8 8 LYS LYS A . n # INVALID # A 1 14 GLY 14 9 9 GLY GLY A . n # INVALID # A 1 15 ILE 15 10 10 ILE ILE A . n # INVALID # A 1 16 PRO 16 11 11 PRO PRO A . n # INVALID # A 1 17 ILE 17 12 12 ILE ILE A . n # INVALID # A 1 18 LEU 18 13 13 LEU LEU A . n # INVALID # A 1 19 PHE 19 14 14 PHE PHE A . n # INVALID # A 1 20 ARG 20 15 15 ARG ARG A . n # INVALID # A 1 21 THR 21 16 16 THR THR A . n # INVALID # A 1 22 VAL 22 17 17 VAL VAL A . n # INVALID # A 1 23 HIS 23 18 18 HIS HIS A . n # INVALID # A 1 24 ALA 24 19 19 ALA ALA A . n # INVALID # A 1 25 ALA 25 20 20 ALA ALA A . n # INVALID # A 1 26 VAL 26 21 21 VAL VAL A . n # INVALID # A 1 27 GLU 27 22 22 GLU GLU A . n # INVALID # A 1 28 LEU 28 23 23 LEU LEU A . n # INVALID # A 1 29 ALA 29 24 24 ALA ALA A . n # INVALID # A 1 30 PHE 30 25 25 PHE PHE A . n # INVALID # A 1 31 THR 31 26 26 THR THR A . n # INVALID # A 1 32 SER 32 27 27 SER SER A . n # INVALID # A 1 33 GLN 33 28 28 GLN GLN A . n # INVALID # A 1 34 PRO 34 29 29 PRO PRO A . n # INVALID # A 1 35 GLY 35 30 30 GLY GLY A . n # INVALID # A 1 36 SER 36 31 31 SER SER A . n # INVALID # A 1 37 ILE 37 32 32 ILE ILE A . n # INVALID # A 1 38 SER 38 33 33 SER SER A . n # INVALID # A 1 39 GLY 39 34 34 GLY GLY A . n # INVALID # A 1 40 TYR 40 35 35 TYR TYR A . n # INVALID # A 1 41 PRO 41 36 36 PRO PRO A . n # INVALID # A 1 42 SER 42 37 37 SER SER A . n # INVALID # A 1 43 ILE 43 38 38 ILE ILE A . n # INVALID # A 1 44 CYS 44 39 39 CYS CYS A . n # INVALID # A 1 45 ARG 45 40 ? ? ? A . n # INVALID # A 1 46 THR 46 41 ? ? ? A . n # INVALID # A 1 47 THR 47 42 ? ? ? A . n # INVALID # A 1 48 PRO 48 43 ? ? ? A . n # INVALID # A 1 49 LEU 49 44 ? ? ? A . n # INVALID # A 1 50 ARG 50 45 ? ? ? A . n # INVALID # A 1 51 THR 51 46 ? ? ? A . n # INVALID # A 1 52 GLY 52 47 ? ? ? A . n # INVALID # A 1 53 PRO 53 48 48 PRO PRO A . n # INVALID # A 1 54 ASP 54 49 49 ASP ASP A . n # INVALID # A 1 55 GLU 55 50 50 GLU GLU A . n # INVALID # A 1 56 ARG 56 51 51 ARG ARG A . n # INVALID # A 1 57 ARG 57 52 52 ARG ARG A . n # INVALID # A 1 58 GLN 58 53 53 GLN GLN A . n # INVALID # A 1 59 PHE 59 54 54 PHE PHE A . n # INVALID # A 1 60 PRO 60 55 55 PRO PRO A . n # INVALID # A 1 61 LEU 61 56 56 LEU LEU A . n # INVALID # A 1 62 THR 62 57 57 THR THR A . n # INVALID # A 1 63 ASP 63 58 58 ASP ASP A . n # INVALID # A 1 64 THR 64 59 59 THR THR A . n # INVALID # A 1 65 GLY 65 60 60 GLY GLY A . n # INVALID # A 1 66 ALA 66 61 61 ALA ALA A . n # INVALID # A 1 67 ARG 67 62 62 ARG ARG A . n # INVALID # A 1 68 TRP 68 63 63 TRP TRP A . n # INVALID # A 1 69 GLN 69 64 64 GLN GLN A . n # INVALID # A 1 70 GLY 70 65 65 GLY GLY A . n # INVALID # A 1 71 GLY 71 66 66 GLY GLY A . n # INVALID # A 1 72 GLY 72 67 67 GLY GLY A . n # INVALID # A 1 73 ILE 73 68 68 ILE ILE A . n # INVALID # A 1 74 THR 74 69 69 THR THR A . n # INVALID # A 1 75 TYR 75 70 70 TYR TYR A . n # INVALID # A 1 76 TYR 76 71 71 TYR TYR A . n # INVALID # A 1 77 VAL 77 72 72 VAL VAL A . n # INVALID # A 1 78 GLU 78 73 73 GLU GLU A . n # INVALID # A 1 79 ALA 79 74 74 ALA ALA A . n # INVALID # A 1 80 THR 80 75 75 THR THR A . n # INVALID # A 1 81 ARG 81 76 76 ARG ARG A . n # INVALID # A 1 82 ASP 82 77 77 ASP ASP A . n # INVALID # A 1 83 LYS 83 78 78 LYS LYS A . n # INVALID # A 1 84 ARG 84 79 79 ARG ARG A . n # INVALID # A 1 85 HIS 85 80 80 HIS HIS A . n # INVALID # A 1 86 CYS 86 81 81 CYS CYS A . n # INVALID # A 1 87 GLU 87 82 82 GLU GLU A . n # INVALID # A 1 88 VAL 88 83 83 VAL VAL A . n # INVALID # A 1 89 PHE 89 84 84 PHE PHE A . n # INVALID # A 1 90 GLY 90 85 85 GLY GLY A . n # INVALID # A 1 91 THR 91 86 86 THR THR A . n # INVALID # A 1 92 ALA 92 87 87 ALA ALA A . n # INVALID # A 1 93 GLY 93 88 88 GLY GLY A . n # INVALID # A 1 94 GLY 94 89 89 GLY GLY A . n # INVALID # A 1 95 VAL 95 90 90 VAL VAL A . n # INVALID # A 1 96 TYR 96 91 91 TYR TYR A . n # INVALID # A 1 97 LYS 97 92 92 LYS LYS A . n # INVALID # A 1 98 CYS 98 93 93 CYS CYS A . n # INVALID # A 1 99 THR 99 94 94 THR THR A . n # INVALID # A 1 100 LEU 100 95 95 LEU LEU A . n # INVALID # A 1 101 VAL 101 96 96 VAL VAL A . n # INVALID # A 1 102 LEU 102 97 97 LEU LEU A . n # INVALID # A 1 103 ARG 103 98 98 ARG ARG A . n # INVALID # A 1 104 ASP 104 99 ? ? ? A . n # # INVALID # _pdbx_contact_author.id 2 # INVALID # _pdbx_contact_author.email chai@mpipz.mpg.de # INVALID # _pdbx_contact_author.name_first jijie # INVALID # _pdbx_contact_author.name_last Chai # INVALID # _pdbx_contact_author.name_mi ? # INVALID # _pdbx_contact_author.role 'principal investigator/group leader' # INVALID # _pdbx_contact_author.identifier_ORCID 0000-0001-7591-3873 # # INVALID # loop_ # INVALID # _pdbx_nonpoly_scheme.asym_id # INVALID # _pdbx_nonpoly_scheme.entity_id # INVALID # _pdbx_nonpoly_scheme.mon_id # INVALID # _pdbx_nonpoly_scheme.ndb_seq_num # INVALID # _pdbx_nonpoly_scheme.pdb_seq_num # INVALID # _pdbx_nonpoly_scheme.auth_seq_num # INVALID # _pdbx_nonpoly_scheme.pdb_mon_id # INVALID # _pdbx_nonpoly_scheme.auth_mon_id # INVALID # _pdbx_nonpoly_scheme.pdb_strand_id # INVALID # _pdbx_nonpoly_scheme.pdb_ins_code # INVALID # B 2 HOH 1 101 87 HOH HOH A . # INVALID # B 2 HOH 2 102 59 HOH HOH A . # INVALID # B 2 HOH 3 103 79 HOH HOH A . # INVALID # B 2 HOH 4 104 25 HOH HOH A . # INVALID # B 2 HOH 5 105 51 HOH HOH A . # INVALID # B 2 HOH 6 106 10 HOH HOH A . # INVALID # B 2 HOH 7 107 49 HOH HOH A . # INVALID # B 2 HOH 8 108 56 HOH HOH A . # INVALID # B 2 HOH 9 109 83 HOH HOH A . # INVALID # B 2 HOH 10 110 62 HOH HOH A . # INVALID # B 2 HOH 11 111 20 HOH HOH A . # INVALID # B 2 HOH 12 112 11 HOH HOH A . # INVALID # B 2 HOH 13 113 42 HOH HOH A . # INVALID # B 2 HOH 14 114 27 HOH HOH A . # INVALID # B 2 HOH 15 115 15 HOH HOH A . # INVALID # B 2 HOH 16 116 39 HOH HOH A . # INVALID # B 2 HOH 17 117 43 HOH HOH A . # INVALID # B 2 HOH 18 118 2 HOH HOH A . # INVALID # B 2 HOH 19 119 19 HOH HOH A . # INVALID # B 2 HOH 20 120 29 HOH HOH A . # INVALID # B 2 HOH 21 121 33 HOH HOH A . # INVALID # B 2 HOH 22 122 38 HOH HOH A . # INVALID # B 2 HOH 23 123 22 HOH HOH A . # INVALID # B 2 HOH 24 124 71 HOH HOH A . # INVALID # B 2 HOH 25 125 80 HOH HOH A . # INVALID # B 2 HOH 26 126 13 HOH HOH A . # INVALID # B 2 HOH 27 127 53 HOH HOH A . # INVALID # B 2 HOH 28 128 6 HOH HOH A . # INVALID # B 2 HOH 29 129 34 HOH HOH A . # INVALID # B 2 HOH 30 130 47 HOH HOH A . # INVALID # B 2 HOH 31 131 82 HOH HOH A . # INVALID # B 2 HOH 32 132 23 HOH HOH A . # INVALID # B 2 HOH 33 133 50 HOH HOH A . # INVALID # B 2 HOH 34 134 88 HOH HOH A . # INVALID # B 2 HOH 35 135 65 HOH HOH A . # INVALID # B 2 HOH 36 136 5 HOH HOH A . # INVALID # B 2 HOH 37 137 8 HOH HOH A . # INVALID # B 2 HOH 38 138 9 HOH HOH A . # INVALID # B 2 HOH 39 139 76 HOH HOH A . # INVALID # B 2 HOH 40 140 31 HOH HOH A . # INVALID # B 2 HOH 41 141 55 HOH HOH A . # INVALID # B 2 HOH 42 142 16 HOH HOH A . # INVALID # B 2 HOH 43 143 4 HOH HOH A . # INVALID # B 2 HOH 44 144 30 HOH HOH A . # INVALID # B 2 HOH 45 145 64 HOH HOH A . # INVALID # B 2 HOH 46 146 21 HOH HOH A . # INVALID # B 2 HOH 47 147 54 HOH HOH A . # INVALID # B 2 HOH 48 148 18 HOH HOH A . # INVALID # B 2 HOH 49 149 68 HOH HOH A . # INVALID # B 2 HOH 50 150 14 HOH HOH A . # INVALID # B 2 HOH 51 151 12 HOH HOH A . # INVALID # B 2 HOH 52 152 28 HOH HOH A . # INVALID # B 2 HOH 53 153 61 HOH HOH A . # INVALID # B 2 HOH 54 154 17 HOH HOH A . # INVALID # B 2 HOH 55 155 1 HOH HOH A . # INVALID # B 2 HOH 56 156 84 HOH HOH A . # INVALID # B 2 HOH 57 157 63 HOH HOH A . # INVALID # B 2 HOH 58 158 67 HOH HOH A . # INVALID # B 2 HOH 59 159 52 HOH HOH A . # INVALID # B 2 HOH 60 160 48 HOH HOH A . # INVALID # B 2 HOH 61 161 7 HOH HOH A . # INVALID # B 2 HOH 62 162 24 HOH HOH A . # INVALID # B 2 HOH 63 163 58 HOH HOH A . # INVALID # B 2 HOH 64 164 70 HOH HOH A . # INVALID # B 2 HOH 65 165 3 HOH HOH A . # INVALID # B 2 HOH 66 166 26 HOH HOH A . # INVALID # B 2 HOH 67 167 66 HOH HOH A . # INVALID # B 2 HOH 68 168 32 HOH HOH A . # INVALID # B 2 HOH 69 169 72 HOH HOH A . # INVALID # B 2 HOH 70 170 85 HOH HOH A . # INVALID # B 2 HOH 71 171 46 HOH HOH A . # INVALID # B 2 HOH 72 172 69 HOH HOH A . # INVALID # B 2 HOH 73 173 60 HOH HOH A . # INVALID # B 2 HOH 74 174 44 HOH HOH A . # INVALID # B 2 HOH 75 175 36 HOH HOH A . # INVALID # B 2 HOH 76 176 75 HOH HOH A . # INVALID # B 2 HOH 77 177 41 HOH HOH A . # INVALID # B 2 HOH 78 178 86 HOH HOH A . # INVALID # B 2 HOH 79 179 57 HOH HOH A . # INVALID # B 2 HOH 80 180 40 HOH HOH A . # INVALID # B 2 HOH 81 181 35 HOH HOH A . # INVALID # B 2 HOH 82 182 81 HOH HOH A . # INVALID # B 2 HOH 83 183 74 HOH HOH A . # INVALID # B 2 HOH 84 184 45 HOH HOH A . # INVALID # B 2 HOH 85 185 37 HOH HOH A . # INVALID # B 2 HOH 86 186 73 HOH HOH A . # INVALID # B 2 HOH 87 187 78 HOH HOH A . # INVALID # B 2 HOH 88 188 77 HOH HOH A . # # INVALID # _pdbx_struct_assembly.id 1 # INVALID # _pdbx_struct_assembly.details author_defined_assembly # INVALID # _pdbx_struct_assembly.method_details ? # INVALID # _pdbx_struct_assembly.oligomeric_details monomeric # INVALID # _pdbx_struct_assembly.oligomeric_count 1 # # INVALID # _pdbx_struct_assembly_gen.assembly_id 1 # INVALID # _pdbx_struct_assembly_gen.oper_expression 1 # INVALID # _pdbx_struct_assembly_gen.asym_id_list A,B # # INVALID # loop_ # INVALID # _pdbx_struct_assembly_prop.biol_id # INVALID # _pdbx_struct_assembly_prop.type # INVALID # _pdbx_struct_assembly_prop.value # INVALID # _pdbx_struct_assembly_prop.details # INVALID # 1 'ABSA (A^2)' 0 ? # INVALID # 1 MORE 0 ? # INVALID # 1 'SSA (A^2)' 6310 ? # # INVALID # _pdbx_struct_oper_list.id 1 # INVALID # _pdbx_struct_oper_list.type 'identity operation' # INVALID # _pdbx_struct_oper_list.name 1_555 # INVALID # _pdbx_struct_oper_list.symmetry_operation x,y,z # INVALID # _pdbx_struct_oper_list.matrix[1][1] 1.0 # INVALID # _pdbx_struct_oper_list.matrix[1][2] 0.0 # INVALID # _pdbx_struct_oper_list.matrix[1][3] 0.0 # INVALID # _pdbx_struct_oper_list.vector[1] 0.0 # INVALID # _pdbx_struct_oper_list.matrix[2][1] 0.0 # INVALID # _pdbx_struct_oper_list.matrix[2][2] 1.0 # INVALID # _pdbx_struct_oper_list.matrix[2][3] 0.0 # INVALID # _pdbx_struct_oper_list.vector[2] 0.0 # INVALID # _pdbx_struct_oper_list.matrix[3][1] 0.0 # INVALID # _pdbx_struct_oper_list.matrix[3][2] 0.0 # INVALID # _pdbx_struct_oper_list.matrix[3][3] 1.0 # INVALID # _pdbx_struct_oper_list.vector[3] 0.0 # # INVALID # loop_ # INVALID # _pdbx_struct_special_symmetry.id # INVALID # _pdbx_struct_special_symmetry.PDB_model_num # INVALID # _pdbx_struct_special_symmetry.auth_asym_id # INVALID # _pdbx_struct_special_symmetry.auth_comp_id # INVALID # _pdbx_struct_special_symmetry.auth_seq_id # INVALID # _pdbx_struct_special_symmetry.PDB_ins_code # INVALID # _pdbx_struct_special_symmetry.label_asym_id # INVALID # _pdbx_struct_special_symmetry.label_comp_id # INVALID # _pdbx_struct_special_symmetry.label_seq_id # INVALID # 1 1 A HOH 141 ? B HOH . # INVALID # 2 1 A HOH 179 ? B HOH . # # INVALID # _pdbx_audit_revision_history.ordinal 1 # INVALID # _pdbx_audit_revision_history.data_content_type 'Structure model' # INVALID # _pdbx_audit_revision_history.major_revision 1 # INVALID # _pdbx_audit_revision_history.minor_revision 0 # INVALID # _pdbx_audit_revision_history.revision_date 2023-08-16 # # INVALID # _pdbx_audit_revision_details.ordinal 1 # INVALID # _pdbx_audit_revision_details.revision_ordinal 1 # INVALID # _pdbx_audit_revision_details.data_content_type 'Structure model' # INVALID # _pdbx_audit_revision_details.provider repository # INVALID # _pdbx_audit_revision_details.type 'Initial release' # INVALID # _pdbx_audit_revision_details.description ? # INVALID # _pdbx_audit_revision_details.details ? # # INVALID # loop_ # INVALID # _space_group_symop.id # INVALID # _space_group_symop.operation_xyz # INVALID # 1 x,y,z # INVALID # 2 x,-y,-z # INVALID # 3 -x,y,-z+1/2 # INVALID # 4 -x,-y,z+1/2 # INVALID # 5 x+1/2,y+1/2,z # INVALID # 6 x+1/2,-y+1/2,-z # INVALID # 7 -x+1/2,y+1/2,-z+1/2 # INVALID # 8 -x+1/2,-y+1/2,z+1/2 # # INVALID # loop_ # INVALID # _software.citation_id # INVALID # _software.classification # INVALID # _software.compiler_name # INVALID # _software.compiler_version # INVALID # _software.contact_author # INVALID # _software.contact_author_email # INVALID # _software.date # INVALID # _software.description # INVALID # _software.dependencies # INVALID # _software.hardware # INVALID # _software.language # INVALID # _software.location # INVALID # _software.mods # INVALID # _software.name # INVALID # _software.os # INVALID # _software.os_version # INVALID # _software.type # INVALID # _software.version # INVALID # _software.pdbx_ordinal # INVALID # ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.20.1_4487 1 # INVALID # ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 # INVALID # ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 3 # INVALID # ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 # # INVALID # loop_ # INVALID # _pdbx_validate_close_contact.id # INVALID # _pdbx_validate_close_contact.PDB_model_num # INVALID # _pdbx_validate_close_contact.auth_atom_id_1 # INVALID # _pdbx_validate_close_contact.auth_asym_id_1 # INVALID # _pdbx_validate_close_contact.auth_comp_id_1 # INVALID # _pdbx_validate_close_contact.auth_seq_id_1 # INVALID # _pdbx_validate_close_contact.PDB_ins_code_1 # INVALID # _pdbx_validate_close_contact.label_alt_id_1 # INVALID # _pdbx_validate_close_contact.auth_atom_id_2 # INVALID # _pdbx_validate_close_contact.auth_asym_id_2 # INVALID # _pdbx_validate_close_contact.auth_comp_id_2 # INVALID # _pdbx_validate_close_contact.auth_seq_id_2 # INVALID # _pdbx_validate_close_contact.PDB_ins_code_2 # INVALID # _pdbx_validate_close_contact.label_alt_id_2 # INVALID # _pdbx_validate_close_contact.dist # INVALID # 1 1 HH21 A ARG 98 ? ? O A HOH 103 ? ? 1.52 # INVALID # 2 1 O A HOH 124 ? ? O A HOH 133 ? ? 1.86 # INVALID # 3 1 O A HOH 124 ? ? O A HOH 170 ? ? 2.01 # INVALID # 4 1 OD1 A ASP 58 ? ? O A HOH 101 ? ? 2.06 # INVALID # 5 1 OD2 A ASP 58 ? ? O A HOH 102 ? ? 2.09 # INVALID # 6 1 O A HOH 182 ? ? O A HOH 186 ? ? 2.19 # # INVALID # _pdbx_validate_symm_contact.id 1 # INVALID # _pdbx_validate_symm_contact.PDB_model_num 1 # INVALID # _pdbx_validate_symm_contact.auth_atom_id_1 O # INVALID # _pdbx_validate_symm_contact.auth_asym_id_1 A # INVALID # _pdbx_validate_symm_contact.auth_comp_id_1 HOH # INVALID # _pdbx_validate_symm_contact.auth_seq_id_1 130 # INVALID # _pdbx_validate_symm_contact.PDB_ins_code_1 ? # INVALID # _pdbx_validate_symm_contact.label_alt_id_1 ? # INVALID # _pdbx_validate_symm_contact.site_symmetry_1 1_555 # INVALID # _pdbx_validate_symm_contact.auth_atom_id_2 O # INVALID # _pdbx_validate_symm_contact.auth_asym_id_2 A # INVALID # _pdbx_validate_symm_contact.auth_comp_id_2 HOH # INVALID # _pdbx_validate_symm_contact.auth_seq_id_2 168 # INVALID # _pdbx_validate_symm_contact.PDB_ins_code_2 ? # INVALID # _pdbx_validate_symm_contact.label_alt_id_2 ? # INVALID # _pdbx_validate_symm_contact.site_symmetry_2 4_565 # INVALID # _pdbx_validate_symm_contact.dist 2.09 # # INVALID # _pdbx_validate_planes.id 1 # INVALID # _pdbx_validate_planes.PDB_model_num 1 # INVALID # _pdbx_validate_planes.auth_comp_id ARG # INVALID # _pdbx_validate_planes.auth_asym_id A # INVALID # _pdbx_validate_planes.auth_seq_id 98 # INVALID # _pdbx_validate_planes.PDB_ins_code ? # INVALID # _pdbx_validate_planes.label_alt_id ? # INVALID # _pdbx_validate_planes.rmsd 0.090 # INVALID # _pdbx_validate_planes.type 'SIDE CHAIN' # # INVALID # _pdbx_distant_solvent_atoms.id 1 # INVALID # _pdbx_distant_solvent_atoms.PDB_model_num 1 # INVALID # _pdbx_distant_solvent_atoms.auth_atom_id O # INVALID # _pdbx_distant_solvent_atoms.label_alt_id ? # INVALID # _pdbx_distant_solvent_atoms.auth_asym_id A # INVALID # _pdbx_distant_solvent_atoms.auth_comp_id HOH # INVALID # _pdbx_distant_solvent_atoms.auth_seq_id 188 # INVALID # _pdbx_distant_solvent_atoms.PDB_ins_code ? # INVALID # _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 6.31 # INVALID # _pdbx_distant_solvent_atoms.neighbor_ligand_distance . # # INVALID # loop_ # INVALID # _pdbx_unobs_or_zero_occ_residues.id # INVALID # _pdbx_unobs_or_zero_occ_residues.PDB_model_num # INVALID # _pdbx_unobs_or_zero_occ_residues.polymer_flag # INVALID # _pdbx_unobs_or_zero_occ_residues.occupancy_flag # INVALID # _pdbx_unobs_or_zero_occ_residues.auth_asym_id # INVALID # _pdbx_unobs_or_zero_occ_residues.auth_comp_id # INVALID # _pdbx_unobs_or_zero_occ_residues.auth_seq_id # INVALID # _pdbx_unobs_or_zero_occ_residues.PDB_ins_code # INVALID # _pdbx_unobs_or_zero_occ_residues.label_asym_id # INVALID # _pdbx_unobs_or_zero_occ_residues.label_comp_id # INVALID # _pdbx_unobs_or_zero_occ_residues.label_seq_id # INVALID # 1 1 Y 1 A ARG 40 ? A ARG 45 # INVALID # 2 1 Y 1 A THR 41 ? A THR 46 # INVALID # 3 1 Y 1 A THR 42 ? A THR 47 # INVALID # 4 1 Y 1 A PRO 43 ? A PRO 48 # INVALID # 5 1 Y 1 A LEU 44 ? A LEU 49 # INVALID # 6 1 Y 1 A ARG 45 ? A ARG 50 # INVALID # 7 1 Y 1 A THR 46 ? A THR 51 # INVALID # 8 1 Y 1 A GLY 47 ? A GLY 52 # INVALID # 9 1 Y 1 A ASP 99 ? A ASP 104 # # INVALID # loop_ # INVALID # _chem_comp_atom.comp_id # INVALID # _chem_comp_atom.atom_id # INVALID # _chem_comp_atom.type_symbol # INVALID # _chem_comp_atom.pdbx_aromatic_flag # INVALID # _chem_comp_atom.pdbx_stereo_config # INVALID # _chem_comp_atom.pdbx_ordinal # INVALID # ALA N N N N 1 # INVALID # ALA CA C N S 2 # INVALID # ALA C C N N 3 # INVALID # ALA O O N N 4 # INVALID # ALA CB C N N 5 # INVALID # ALA OXT O N N 6 # INVALID # ALA H H N N 7 # INVALID # ALA H2 H N N 8 # INVALID # ALA HA H N N 9 # INVALID # ALA HB1 H N N 10 # INVALID # ALA HB2 H N N 11 # INVALID # ALA HB3 H N N 12 # INVALID # ALA HXT H N N 13 # INVALID # ARG N N N N 14 # INVALID # ARG CA C N S 15 # INVALID # ARG C C N N 16 # INVALID # ARG O O N N 17 # INVALID # ARG CB C N N 18 # INVALID # ARG CG C N N 19 # INVALID # ARG CD C N N 20 # INVALID # ARG NE N N N 21 # INVALID # ARG CZ C N N 22 # INVALID # ARG NH1 N N N 23 # INVALID # ARG NH2 N N N 24 # INVALID # ARG OXT O N N 25 # INVALID # ARG H H N N 26 # INVALID # ARG H2 H N N 27 # INVALID # ARG HA H N N 28 # INVALID # ARG HB2 H N N 29 # INVALID # ARG HB3 H N N 30 # INVALID # ARG HG2 H N N 31 # INVALID # ARG HG3 H N N 32 # INVALID # ARG HD2 H N N 33 # INVALID # ARG HD3 H N N 34 # INVALID # ARG HE H N N 35 # INVALID # ARG HH11 H N N 36 # INVALID # ARG HH12 H N N 37 # INVALID # ARG HH21 H N N 38 # INVALID # ARG HH22 H N N 39 # INVALID # ARG HXT H N N 40 # INVALID # ASP N N N N 41 # INVALID # ASP CA C N S 42 # INVALID # ASP C C N N 43 # INVALID # ASP O O N N 44 # INVALID # ASP CB C N N 45 # INVALID # ASP CG C N N 46 # INVALID # ASP OD1 O N N 47 # INVALID # ASP OD2 O N N 48 # INVALID # ASP OXT O N N 49 # INVALID # ASP H H N N 50 # INVALID # ASP H2 H N N 51 # INVALID # ASP HA H N N 52 # INVALID # ASP HB2 H N N 53 # INVALID # ASP HB3 H N N 54 # INVALID # ASP HD2 H N N 55 # INVALID # ASP HXT H N N 56 # INVALID # CYS N N N N 57 # INVALID # CYS CA C N R 58 # INVALID # CYS C C N N 59 # INVALID # CYS O O N N 60 # INVALID # CYS CB C N N 61 # INVALID # CYS SG S N N 62 # INVALID # CYS OXT O N N 63 # INVALID # CYS H H N N 64 # INVALID # CYS H2 H N N 65 # INVALID # CYS HA H N N 66 # INVALID # CYS HB2 H N N 67 # INVALID # CYS HB3 H N N 68 # INVALID # CYS HG H N N 69 # INVALID # CYS HXT H N N 70 # INVALID # GLN N N N N 71 # INVALID # GLN CA C N S 72 # INVALID # GLN C C N N 73 # INVALID # GLN O O N N 74 # INVALID # GLN CB C N N 75 # INVALID # GLN CG C N N 76 # INVALID # GLN CD C N N 77 # INVALID # GLN OE1 O N N 78 # INVALID # GLN NE2 N N N 79 # INVALID # GLN OXT O N N 80 # INVALID # GLN H H N N 81 # INVALID # GLN H2 H N N 82 # INVALID # GLN HA H N N 83 # INVALID # GLN HB2 H N N 84 # INVALID # GLN HB3 H N N 85 # INVALID # GLN HG2 H N N 86 # INVALID # GLN HG3 H N N 87 # INVALID # GLN HE21 H N N 88 # INVALID # GLN HE22 H N N 89 # INVALID # GLN HXT H N N 90 # INVALID # GLU N N N N 91 # INVALID # GLU CA C N S 92 # INVALID # GLU C C N N 93 # INVALID # GLU O O N N 94 # INVALID # GLU CB C N N 95 # INVALID # GLU CG C N N 96 # INVALID # GLU CD C N N 97 # INVALID # GLU OE1 O N N 98 # INVALID # GLU OE2 O N N 99 # INVALID # GLU OXT O N N 100 # INVALID # GLU H H N N 101 # INVALID # GLU H2 H N N 102 # INVALID # GLU HA H N N 103 # INVALID # GLU HB2 H N N 104 # INVALID # GLU HB3 H N N 105 # INVALID # GLU HG2 H N N 106 # INVALID # GLU HG3 H N N 107 # INVALID # GLU HE2 H N N 108 # INVALID # GLU HXT H N N 109 # INVALID # GLY N N N N 110 # INVALID # GLY CA C N N 111 # INVALID # GLY C C N N 112 # INVALID # GLY O O N N 113 # INVALID # GLY OXT O N N 114 # INVALID # GLY H H N N 115 # INVALID # GLY H2 H N N 116 # INVALID # GLY HA2 H N N 117 # INVALID # GLY HA3 H N N 118 # INVALID # GLY HXT H N N 119 # INVALID # HIS N N N N 120 # INVALID # HIS CA C N S 121 # INVALID # HIS C C N N 122 # INVALID # HIS O O N N 123 # INVALID # HIS CB C N N 124 # INVALID # HIS CG C Y N 125 # INVALID # HIS ND1 N Y N 126 # INVALID # HIS CD2 C Y N 127 # INVALID # HIS CE1 C Y N 128 # INVALID # HIS NE2 N Y N 129 # INVALID # HIS OXT O N N 130 # INVALID # HIS H H N N 131 # INVALID # HIS H2 H N N 132 # INVALID # HIS HA H N N 133 # INVALID # HIS HB2 H N N 134 # INVALID # HIS HB3 H N N 135 # INVALID # HIS HD1 H N N 136 # INVALID # HIS HD2 H N N 137 # INVALID # HIS HE1 H N N 138 # INVALID # HIS HE2 H N N 139 # INVALID # HIS HXT H N N 140 # INVALID # HOH O O N N 141 # INVALID # HOH H1 H N N 142 # INVALID # HOH H2 H N N 143 # INVALID # ILE N N N N 144 # INVALID # ILE CA C N S 145 # INVALID # ILE C C N N 146 # INVALID # ILE O O N N 147 # INVALID # ILE CB C N S 148 # INVALID # ILE CG1 C N N 149 # INVALID # ILE CG2 C N N 150 # INVALID # ILE CD1 C N N 151 # INVALID # ILE OXT O N N 152 # INVALID # ILE H H N N 153 # INVALID # ILE H2 H N N 154 # INVALID # ILE HA H N N 155 # INVALID # ILE HB H N N 156 # INVALID # ILE HG12 H N N 157 # INVALID # ILE HG13 H N N 158 # INVALID # ILE HG21 H N N 159 # INVALID # ILE HG22 H N N 160 # INVALID # ILE HG23 H N N 161 # INVALID # ILE HD11 H N N 162 # INVALID # ILE HD12 H N N 163 # INVALID # ILE HD13 H N N 164 # INVALID # ILE HXT H N N 165 # INVALID # LEU N N N N 166 # INVALID # LEU CA C N S 167 # INVALID # LEU C C N N 168 # INVALID # LEU O O N N 169 # INVALID # LEU CB C N N 170 # INVALID # LEU CG C N N 171 # INVALID # LEU CD1 C N N 172 # INVALID # LEU CD2 C N N 173 # INVALID # LEU OXT O N N 174 # INVALID # LEU H H N N 175 # INVALID # LEU H2 H N N 176 # INVALID # LEU HA H N N 177 # INVALID # LEU HB2 H N N 178 # INVALID # LEU HB3 H N N 179 # INVALID # LEU HG H N N 180 # INVALID # LEU HD11 H N N 181 # INVALID # LEU HD12 H N N 182 # INVALID # LEU HD13 H N N 183 # INVALID # LEU HD21 H N N 184 # INVALID # LEU HD22 H N N 185 # INVALID # LEU HD23 H N N 186 # INVALID # LEU HXT H N N 187 # INVALID # LYS N N N N 188 # INVALID # LYS CA C N S 189 # INVALID # LYS C C N N 190 # INVALID # LYS O O N N 191 # INVALID # LYS CB C N N 192 # INVALID # LYS CG C N N 193 # INVALID # LYS CD C N N 194 # INVALID # LYS CE C N N 195 # INVALID # LYS NZ N N N 196 # INVALID # LYS OXT O N N 197 # INVALID # LYS H H N N 198 # INVALID # LYS H2 H N N 199 # INVALID # LYS HA H N N 200 # INVALID # LYS HB2 H N N 201 # INVALID # LYS HB3 H N N 202 # INVALID # LYS HG2 H N N 203 # INVALID # LYS HG3 H N N 204 # INVALID # LYS HD2 H N N 205 # INVALID # LYS HD3 H N N 206 # INVALID # LYS HE2 H N N 207 # INVALID # LYS HE3 H N N 208 # INVALID # LYS HZ1 H N N 209 # INVALID # LYS HZ2 H N N 210 # INVALID # LYS HZ3 H N N 211 # INVALID # LYS HXT H N N 212 # INVALID # MET N N N N 213 # INVALID # MET CA C N S 214 # INVALID # MET C C N N 215 # INVALID # MET O O N N 216 # INVALID # MET CB C N N 217 # INVALID # MET CG C N N 218 # INVALID # MET SD S N N 219 # INVALID # MET CE C N N 220 # INVALID # MET OXT O N N 221 # INVALID # MET H H N N 222 # INVALID # MET H2 H N N 223 # INVALID # MET HA H N N 224 # INVALID # MET HB2 H N N 225 # INVALID # MET HB3 H N N 226 # INVALID # MET HG2 H N N 227 # INVALID # MET HG3 H N N 228 # INVALID # MET HE1 H N N 229 # INVALID # MET HE2 H N N 230 # INVALID # MET HE3 H N N 231 # INVALID # MET HXT H N N 232 # INVALID # PHE N N N N 233 # INVALID # PHE CA C N S 234 # INVALID # PHE C C N N 235 # INVALID # PHE O O N N 236 # INVALID # PHE CB C N N 237 # INVALID # PHE CG C Y N 238 # INVALID # PHE CD1 C Y N 239 # INVALID # PHE CD2 C Y N 240 # INVALID # PHE CE1 C Y N 241 # INVALID # PHE CE2 C Y N 242 # INVALID # PHE CZ C Y N 243 # INVALID # PHE OXT O N N 244 # INVALID # PHE H H N N 245 # INVALID # PHE H2 H N N 246 # INVALID # PHE HA H N N 247 # INVALID # PHE HB2 H N N 248 # INVALID # PHE HB3 H N N 249 # INVALID # PHE HD1 H N N 250 # INVALID # PHE HD2 H N N 251 # INVALID # PHE HE1 H N N 252 # INVALID # PHE HE2 H N N 253 # INVALID # PHE HZ H N N 254 # INVALID # PHE HXT H N N 255 # INVALID # PRO N N N N 256 # INVALID # PRO CA C N S 257 # INVALID # PRO C C N N 258 # INVALID # PRO O O N N 259 # INVALID # PRO CB C N N 260 # INVALID # PRO CG C N N 261 # INVALID # PRO CD C N N 262 # INVALID # PRO OXT O N N 263 # INVALID # PRO H H N N 264 # INVALID # PRO HA H N N 265 # INVALID # PRO HB2 H N N 266 # INVALID # PRO HB3 H N N 267 # INVALID # PRO HG2 H N N 268 # INVALID # PRO HG3 H N N 269 # INVALID # PRO HD2 H N N 270 # INVALID # PRO HD3 H N N 271 # INVALID # PRO HXT H N N 272 # INVALID # SER N N N N 273 # INVALID # SER CA C N S 274 # INVALID # SER C C N N 275 # INVALID # SER O O N N 276 # INVALID # SER CB C N N 277 # INVALID # SER OG O N N 278 # INVALID # SER OXT O N N 279 # INVALID # SER H H N N 280 # INVALID # SER H2 H N N 281 # INVALID # SER HA H N N 282 # INVALID # SER HB2 H N N 283 # INVALID # SER HB3 H N N 284 # INVALID # SER HG H N N 285 # INVALID # SER HXT H N N 286 # INVALID # THR N N N N 287 # INVALID # THR CA C N S 288 # INVALID # THR C C N N 289 # INVALID # THR O O N N 290 # INVALID # THR CB C N R 291 # INVALID # THR OG1 O N N 292 # INVALID # THR CG2 C N N 293 # INVALID # THR OXT O N N 294 # INVALID # THR H H N N 295 # INVALID # THR H2 H N N 296 # INVALID # THR HA H N N 297 # INVALID # THR HB H N N 298 # INVALID # THR HG1 H N N 299 # INVALID # THR HG21 H N N 300 # INVALID # THR HG22 H N N 301 # INVALID # THR HG23 H N N 302 # INVALID # THR HXT H N N 303 # INVALID # TRP N N N N 304 # INVALID # TRP CA C N S 305 # INVALID # TRP C C N N 306 # INVALID # TRP O O N N 307 # INVALID # TRP CB C N N 308 # INVALID # TRP CG C Y N 309 # INVALID # TRP CD1 C Y N 310 # INVALID # TRP CD2 C Y N 311 # INVALID # TRP NE1 N Y N 312 # INVALID # TRP CE2 C Y N 313 # INVALID # TRP CE3 C Y N 314 # INVALID # TRP CZ2 C Y N 315 # INVALID # TRP CZ3 C Y N 316 # INVALID # TRP CH2 C Y N 317 # INVALID # TRP OXT O N N 318 # INVALID # TRP H H N N 319 # INVALID # TRP H2 H N N 320 # INVALID # TRP HA H N N 321 # INVALID # TRP HB2 H N N 322 # INVALID # TRP HB3 H N N 323 # INVALID # TRP HD1 H N N 324 # INVALID # TRP HE1 H N N 325 # INVALID # TRP HE3 H N N 326 # INVALID # TRP HZ2 H N N 327 # INVALID # TRP HZ3 H N N 328 # INVALID # TRP HH2 H N N 329 # INVALID # TRP HXT H N N 330 # INVALID # TYR N N N N 331 # INVALID # TYR CA C N S 332 # INVALID # TYR C C N N 333 # INVALID # TYR O O N N 334 # INVALID # TYR CB C N N 335 # INVALID # TYR CG C Y N 336 # INVALID # TYR CD1 C Y N 337 # INVALID # TYR CD2 C Y N 338 # INVALID # TYR CE1 C Y N 339 # INVALID # TYR CE2 C Y N 340 # INVALID # TYR CZ C Y N 341 # INVALID # TYR OH O N N 342 # INVALID # TYR OXT O N N 343 # INVALID # TYR H H N N 344 # INVALID # TYR H2 H N N 345 # INVALID # TYR HA H N N 346 # INVALID # TYR HB2 H N N 347 # INVALID # TYR HB3 H N N 348 # INVALID # TYR HD1 H N N 349 # INVALID # TYR HD2 H N N 350 # INVALID # TYR HE1 H N N 351 # INVALID # TYR HE2 H N N 352 # INVALID # TYR HH H N N 353 # INVALID # TYR HXT H N N 354 # INVALID # VAL N N N N 355 # INVALID # VAL CA C N S 356 # INVALID # VAL C C N N 357 # INVALID # VAL O O N N 358 # INVALID # VAL CB C N N 359 # INVALID # VAL CG1 C N N 360 # INVALID # VAL CG2 C N N 361 # INVALID # VAL OXT O N N 362 # INVALID # VAL H H N N 363 # INVALID # VAL H2 H N N 364 # INVALID # VAL HA H N N 365 # INVALID # VAL HB H N N 366 # INVALID # VAL HG11 H N N 367 # INVALID # VAL HG12 H N N 368 # INVALID # VAL HG13 H N N 369 # INVALID # VAL HG21 H N N 370 # INVALID # VAL HG22 H N N 371 # INVALID # VAL HG23 H N N 372 # INVALID # VAL HXT H N N 373 # # INVALID # loop_ # INVALID # _chem_comp_bond.comp_id # INVALID # _chem_comp_bond.atom_id_1 # INVALID # _chem_comp_bond.atom_id_2 # INVALID # _chem_comp_bond.value_order # INVALID # _chem_comp_bond.pdbx_aromatic_flag # INVALID # _chem_comp_bond.pdbx_stereo_config # INVALID # _chem_comp_bond.pdbx_ordinal # INVALID # ALA N CA sing N N 1 # INVALID # ALA N H sing N N 2 # INVALID # ALA N H2 sing N N 3 # INVALID # ALA CA C sing N N 4 # INVALID # ALA CA CB sing N N 5 # INVALID # ALA CA HA sing N N 6 # INVALID # ALA C O doub N N 7 # INVALID # ALA C OXT sing N N 8 # INVALID # ALA CB HB1 sing N N 9 # INVALID # ALA CB HB2 sing N N 10 # INVALID # ALA CB HB3 sing N N 11 # INVALID # ALA OXT HXT sing N N 12 # INVALID # ARG N CA sing N N 13 # INVALID # ARG N H sing N N 14 # INVALID # ARG N H2 sing N N 15 # INVALID # ARG CA C sing N N 16 # INVALID # ARG CA CB sing N N 17 # INVALID # ARG CA HA sing N N 18 # INVALID # ARG C O doub N N 19 # INVALID # ARG C OXT sing N N 20 # INVALID # ARG CB CG sing N N 21 # INVALID # ARG CB HB2 sing N N 22 # INVALID # ARG CB HB3 sing N N 23 # INVALID # ARG CG CD sing N N 24 # INVALID # ARG CG HG2 sing N N 25 # INVALID # ARG CG HG3 sing N N 26 # INVALID # ARG CD NE sing N N 27 # INVALID # ARG CD HD2 sing N N 28 # INVALID # ARG CD HD3 sing N N 29 # INVALID # ARG NE CZ sing N N 30 # INVALID # ARG NE HE sing N N 31 # INVALID # ARG CZ NH1 sing N N 32 # INVALID # ARG CZ NH2 doub N N 33 # INVALID # ARG NH1 HH11 sing N N 34 # INVALID # ARG NH1 HH12 sing N N 35 # INVALID # ARG NH2 HH21 sing N N 36 # INVALID # ARG NH2 HH22 sing N N 37 # INVALID # ARG OXT HXT sing N N 38 # INVALID # ASP N CA sing N N 39 # INVALID # ASP N H sing N N 40 # INVALID # ASP N H2 sing N N 41 # INVALID # ASP CA C sing N N 42 # INVALID # ASP CA CB sing N N 43 # INVALID # ASP CA HA sing N N 44 # INVALID # ASP C O doub N N 45 # INVALID # ASP C OXT sing N N 46 # INVALID # ASP CB CG sing N N 47 # INVALID # ASP CB HB2 sing N N 48 # INVALID # ASP CB HB3 sing N N 49 # INVALID # ASP CG OD1 doub N N 50 # INVALID # ASP CG OD2 sing N N 51 # INVALID # ASP OD2 HD2 sing N N 52 # INVALID # ASP OXT HXT sing N N 53 # INVALID # CYS N CA sing N N 54 # INVALID # CYS N H sing N N 55 # INVALID # CYS N H2 sing N N 56 # INVALID # CYS CA C sing N N 57 # INVALID # CYS CA CB sing N N 58 # INVALID # CYS CA HA sing N N 59 # INVALID # CYS C O doub N N 60 # INVALID # CYS C OXT sing N N 61 # INVALID # CYS CB SG sing N N 62 # INVALID # CYS CB HB2 sing N N 63 # INVALID # CYS CB HB3 sing N N 64 # INVALID # CYS SG HG sing N N 65 # INVALID # CYS OXT HXT sing N N 66 # INVALID # GLN N CA sing N N 67 # INVALID # GLN N H sing N N 68 # INVALID # GLN N H2 sing N N 69 # INVALID # GLN CA C sing N N 70 # INVALID # GLN CA CB sing N N 71 # INVALID # GLN CA HA sing N N 72 # INVALID # GLN C O doub N N 73 # INVALID # GLN C OXT sing N N 74 # INVALID # GLN CB CG sing N N 75 # INVALID # GLN CB HB2 sing N N 76 # INVALID # GLN CB HB3 sing N N 77 # INVALID # GLN CG CD sing N N 78 # INVALID # GLN CG HG2 sing N N 79 # INVALID # GLN CG HG3 sing N N 80 # INVALID # GLN CD OE1 doub N N 81 # INVALID # GLN CD NE2 sing N N 82 # INVALID # GLN NE2 HE21 sing N N 83 # INVALID # GLN NE2 HE22 sing N N 84 # INVALID # GLN OXT HXT sing N N 85 # INVALID # GLU N CA sing N N 86 # INVALID # GLU N H sing N N 87 # INVALID # GLU N H2 sing N N 88 # INVALID # GLU CA C sing N N 89 # INVALID # GLU CA CB sing N N 90 # INVALID # GLU CA HA sing N N 91 # INVALID # GLU C O doub N N 92 # INVALID # GLU C OXT sing N N 93 # INVALID # GLU CB CG sing N N 94 # INVALID # GLU CB HB2 sing N N 95 # INVALID # GLU CB HB3 sing N N 96 # INVALID # GLU CG CD sing N N 97 # INVALID # GLU CG HG2 sing N N 98 # INVALID # GLU CG HG3 sing N N 99 # INVALID # GLU CD OE1 doub N N 100 # INVALID # GLU CD OE2 sing N N 101 # INVALID # GLU OE2 HE2 sing N N 102 # INVALID # GLU OXT HXT sing N N 103 # INVALID # GLY N CA sing N N 104 # INVALID # GLY N H sing N N 105 # INVALID # GLY N H2 sing N N 106 # INVALID # GLY CA C sing N N 107 # INVALID # GLY CA HA2 sing N N 108 # INVALID # GLY CA HA3 sing N N 109 # INVALID # GLY C O doub N N 110 # INVALID # GLY C OXT sing N N 111 # INVALID # GLY OXT HXT sing N N 112 # INVALID # HIS N CA sing N N 113 # INVALID # HIS N H sing N N 114 # INVALID # HIS N H2 sing N N 115 # INVALID # HIS CA C sing N N 116 # INVALID # HIS CA CB sing N N 117 # INVALID # HIS CA HA sing N N 118 # INVALID # HIS C O doub N N 119 # INVALID # HIS C OXT sing N N 120 # INVALID # HIS CB CG sing N N 121 # INVALID # HIS CB HB2 sing N N 122 # INVALID # HIS CB HB3 sing N N 123 # INVALID # HIS CG ND1 sing Y N 124 # INVALID # HIS CG CD2 doub Y N 125 # INVALID # HIS ND1 CE1 doub Y N 126 # INVALID # HIS ND1 HD1 sing N N 127 # INVALID # HIS CD2 NE2 sing Y N 128 # INVALID # HIS CD2 HD2 sing N N 129 # INVALID # HIS CE1 NE2 sing Y N 130 # INVALID # HIS CE1 HE1 sing N N 131 # INVALID # HIS NE2 HE2 sing N N 132 # INVALID # HIS OXT HXT sing N N 133 # INVALID # HOH O H1 sing N N 134 # INVALID # HOH O H2 sing N N 135 # INVALID # ILE N CA sing N N 136 # INVALID # ILE N H sing N N 137 # INVALID # ILE N H2 sing N N 138 # INVALID # ILE CA C sing N N 139 # INVALID # ILE CA CB sing N N 140 # INVALID # ILE CA HA sing N N 141 # INVALID # ILE C O doub N N 142 # INVALID # ILE C OXT sing N N 143 # INVALID # ILE CB CG1 sing N N 144 # INVALID # ILE CB CG2 sing N N 145 # INVALID # ILE CB HB sing N N 146 # INVALID # ILE CG1 CD1 sing N N 147 # INVALID # ILE CG1 HG12 sing N N 148 # INVALID # ILE CG1 HG13 sing N N 149 # INVALID # ILE CG2 HG21 sing N N 150 # INVALID # ILE CG2 HG22 sing N N 151 # INVALID # ILE CG2 HG23 sing N N 152 # INVALID # ILE CD1 HD11 sing N N 153 # INVALID # ILE CD1 HD12 sing N N 154 # INVALID # ILE CD1 HD13 sing N N 155 # INVALID # ILE OXT HXT sing N N 156 # INVALID # LEU N CA sing N N 157 # INVALID # LEU N H sing N N 158 # INVALID # LEU N H2 sing N N 159 # INVALID # LEU CA C sing N N 160 # INVALID # LEU CA CB sing N N 161 # INVALID # LEU CA HA sing N N 162 # INVALID # LEU C O doub N N 163 # INVALID # LEU C OXT sing N N 164 # INVALID # LEU CB CG sing N N 165 # INVALID # LEU CB HB2 sing N N 166 # INVALID # LEU CB HB3 sing N N 167 # INVALID # LEU CG CD1 sing N N 168 # INVALID # LEU CG CD2 sing N N 169 # INVALID # LEU CG HG sing N N 170 # INVALID # LEU CD1 HD11 sing N N 171 # INVALID # LEU CD1 HD12 sing N N 172 # INVALID # LEU CD1 HD13 sing N N 173 # INVALID # LEU CD2 HD21 sing N N 174 # INVALID # LEU CD2 HD22 sing N N 175 # INVALID # LEU CD2 HD23 sing N N 176 # INVALID # LEU OXT HXT sing N N 177 # INVALID # LYS N CA sing N N 178 # INVALID # LYS N H sing N N 179 # INVALID # LYS N H2 sing N N 180 # INVALID # LYS CA C sing N N 181 # INVALID # LYS CA CB sing N N 182 # INVALID # LYS CA HA sing N N 183 # INVALID # LYS C O doub N N 184 # INVALID # LYS C OXT sing N N 185 # INVALID # LYS CB CG sing N N 186 # INVALID # LYS CB HB2 sing N N 187 # INVALID # LYS CB HB3 sing N N 188 # INVALID # LYS CG CD sing N N 189 # INVALID # LYS CG HG2 sing N N 190 # INVALID # LYS CG HG3 sing N N 191 # INVALID # LYS CD CE sing N N 192 # INVALID # LYS CD HD2 sing N N 193 # INVALID # LYS CD HD3 sing N N 194 # INVALID # LYS CE NZ sing N N 195 # INVALID # LYS CE HE2 sing N N 196 # INVALID # LYS CE HE3 sing N N 197 # INVALID # LYS NZ HZ1 sing N N 198 # INVALID # LYS NZ HZ2 sing N N 199 # INVALID # LYS NZ HZ3 sing N N 200 # INVALID # LYS OXT HXT sing N N 201 # INVALID # MET N CA sing N N 202 # INVALID # MET N H sing N N 203 # INVALID # MET N H2 sing N N 204 # INVALID # MET CA C sing N N 205 # INVALID # MET CA CB sing N N 206 # INVALID # MET CA HA sing N N 207 # INVALID # MET C O doub N N 208 # INVALID # MET C OXT sing N N 209 # INVALID # MET CB CG sing N N 210 # INVALID # MET CB HB2 sing N N 211 # INVALID # MET CB HB3 sing N N 212 # INVALID # MET CG SD sing N N 213 # INVALID # MET CG HG2 sing N N 214 # INVALID # MET CG HG3 sing N N 215 # INVALID # MET SD CE sing N N 216 # INVALID # MET CE HE1 sing N N 217 # INVALID # MET CE HE2 sing N N 218 # INVALID # MET CE HE3 sing N N 219 # INVALID # MET OXT HXT sing N N 220 # INVALID # PHE N CA sing N N 221 # INVALID # PHE N H sing N N 222 # INVALID # PHE N H2 sing N N 223 # INVALID # PHE CA C sing N N 224 # INVALID # PHE CA CB sing N N 225 # INVALID # PHE CA HA sing N N 226 # INVALID # PHE C O doub N N 227 # INVALID # PHE C OXT sing N N 228 # INVALID # PHE CB CG sing N N 229 # INVALID # PHE CB HB2 sing N N 230 # INVALID # PHE CB HB3 sing N N 231 # INVALID # PHE CG CD1 doub Y N 232 # INVALID # PHE CG CD2 sing Y N 233 # INVALID # PHE CD1 CE1 sing Y N 234 # INVALID # PHE CD1 HD1 sing N N 235 # INVALID # PHE CD2 CE2 doub Y N 236 # INVALID # PHE CD2 HD2 sing N N 237 # INVALID # PHE CE1 CZ doub Y N 238 # INVALID # PHE CE1 HE1 sing N N 239 # INVALID # PHE CE2 CZ sing Y N 240 # INVALID # PHE CE2 HE2 sing N N 241 # INVALID # PHE CZ HZ sing N N 242 # INVALID # PHE OXT HXT sing N N 243 # INVALID # PRO N CA sing N N 244 # INVALID # PRO N CD sing N N 245 # INVALID # PRO N H sing N N 246 # INVALID # PRO CA C sing N N 247 # INVALID # PRO CA CB sing N N 248 # INVALID # PRO CA HA sing N N 249 # INVALID # PRO C O doub N N 250 # INVALID # PRO C OXT sing N N 251 # INVALID # PRO CB CG sing N N 252 # INVALID # PRO CB HB2 sing N N 253 # INVALID # PRO CB HB3 sing N N 254 # INVALID # PRO CG CD sing N N 255 # INVALID # PRO CG HG2 sing N N 256 # INVALID # PRO CG HG3 sing N N 257 # INVALID # PRO CD HD2 sing N N 258 # INVALID # PRO CD HD3 sing N N 259 # INVALID # PRO OXT HXT sing N N 260 # INVALID # SER N CA sing N N 261 # INVALID # SER N H sing N N 262 # INVALID # SER N H2 sing N N 263 # INVALID # SER CA C sing N N 264 # INVALID # SER CA CB sing N N 265 # INVALID # SER CA HA sing N N 266 # INVALID # SER C O doub N N 267 # INVALID # SER C OXT sing N N 268 # INVALID # SER CB OG sing N N 269 # INVALID # SER CB HB2 sing N N 270 # INVALID # SER CB HB3 sing N N 271 # INVALID # SER OG HG sing N N 272 # INVALID # SER OXT HXT sing N N 273 # INVALID # THR N CA sing N N 274 # INVALID # THR N H sing N N 275 # INVALID # THR N H2 sing N N 276 # INVALID # THR CA C sing N N 277 # INVALID # THR CA CB sing N N 278 # INVALID # THR CA HA sing N N 279 # INVALID # THR C O doub N N 280 # INVALID # THR C OXT sing N N 281 # INVALID # THR CB OG1 sing N N 282 # INVALID # THR CB CG2 sing N N 283 # INVALID # THR CB HB sing N N 284 # INVALID # THR OG1 HG1 sing N N 285 # INVALID # THR CG2 HG21 sing N N 286 # INVALID # THR CG2 HG22 sing N N 287 # INVALID # THR CG2 HG23 sing N N 288 # INVALID # THR OXT HXT sing N N 289 # INVALID # TRP N CA sing N N 290 # INVALID # TRP N H sing N N 291 # INVALID # TRP N H2 sing N N 292 # INVALID # TRP CA C sing N N 293 # INVALID # TRP CA CB sing N N 294 # INVALID # TRP CA HA sing N N 295 # INVALID # TRP C O doub N N 296 # INVALID # TRP C OXT sing N N 297 # INVALID # TRP CB CG sing N N 298 # INVALID # TRP CB HB2 sing N N 299 # INVALID # TRP CB HB3 sing N N 300 # INVALID # TRP CG CD1 doub Y N 301 # INVALID # TRP CG CD2 sing Y N 302 # INVALID # TRP CD1 NE1 sing Y N 303 # INVALID # TRP CD1 HD1 sing N N 304 # INVALID # TRP CD2 CE2 doub Y N 305 # INVALID # TRP CD2 CE3 sing Y N 306 # INVALID # TRP NE1 CE2 sing Y N 307 # INVALID # TRP NE1 HE1 sing N N 308 # INVALID # TRP CE2 CZ2 sing Y N 309 # INVALID # TRP CE3 CZ3 doub Y N 310 # INVALID # TRP CE3 HE3 sing N N 311 # INVALID # TRP CZ2 CH2 doub Y N 312 # INVALID # TRP CZ2 HZ2 sing N N 313 # INVALID # TRP CZ3 CH2 sing Y N 314 # INVALID # TRP CZ3 HZ3 sing N N 315 # INVALID # TRP CH2 HH2 sing N N 316 # INVALID # TRP OXT HXT sing N N 317 # INVALID # TYR N CA sing N N 318 # INVALID # TYR N H sing N N 319 # INVALID # TYR N H2 sing N N 320 # INVALID # TYR CA C sing N N 321 # INVALID # TYR CA CB sing N N 322 # INVALID # TYR CA HA sing N N 323 # INVALID # TYR C O doub N N 324 # INVALID # TYR C OXT sing N N 325 # INVALID # TYR CB CG sing N N 326 # INVALID # TYR CB HB2 sing N N 327 # INVALID # TYR CB HB3 sing N N 328 # INVALID # TYR CG CD1 doub Y N 329 # INVALID # TYR CG CD2 sing Y N 330 # INVALID # TYR CD1 CE1 sing Y N 331 # INVALID # TYR CD1 HD1 sing N N 332 # INVALID # TYR CD2 CE2 doub Y N 333 # INVALID # TYR CD2 HD2 sing N N 334 # INVALID # TYR CE1 CZ doub Y N 335 # INVALID # TYR CE1 HE1 sing N N 336 # INVALID # TYR CE2 CZ sing Y N 337 # INVALID # TYR CE2 HE2 sing N N 338 # INVALID # TYR CZ OH sing N N 339 # INVALID # TYR OH HH sing N N 340 # INVALID # TYR OXT HXT sing N N 341 # INVALID # VAL N CA sing N N 342 # INVALID # VAL N H sing N N 343 # INVALID # VAL N H2 sing N N 344 # INVALID # VAL CA C sing N N 345 # INVALID # VAL CA CB sing N N 346 # INVALID # VAL CA HA sing N N 347 # INVALID # VAL C O doub N N 348 # INVALID # VAL C OXT sing N N 349 # INVALID # VAL CB CG1 sing N N 350 # INVALID # VAL CB CG2 sing N N 351 # INVALID # VAL CB HB sing N N 352 # INVALID # VAL CG1 HG11 sing N N 353 # INVALID # VAL CG1 HG12 sing N N 354 # INVALID # VAL CG1 HG13 sing N N 355 # INVALID # VAL CG2 HG21 sing N N 356 # INVALID # VAL CG2 HG22 sing N N 357 # INVALID # VAL CG2 HG23 sing N N 358 # INVALID # VAL OXT HXT sing N N 359 # # INVALID # _pdbx_audit_support.funding_organization 'Alexander von Humboldt Foundation' # INVALID # _pdbx_audit_support.country Germany # INVALID # _pdbx_audit_support.grant_number ? # INVALID # _pdbx_audit_support.ordinal 1 # # INVALID # _pdbx_entity_nonpoly.entity_id 2 # INVALID # _pdbx_entity_nonpoly.name water # INVALID # _pdbx_entity_nonpoly.comp_id HOH # # INVALID # _pdbx_initial_refinement_model.id 1 # INVALID # _pdbx_initial_refinement_model.entity_id_list ? # INVALID # _pdbx_initial_refinement_model.type 'in silico model' # INVALID # _pdbx_initial_refinement_model.source_name AlphaFold # INVALID # _pdbx_initial_refinement_model.accession_code ? # INVALID # _pdbx_initial_refinement_model.details ? # # INVALID # _pdbx_struct_assembly_auth_evidence.id 1 # INVALID # _pdbx_struct_assembly_auth_evidence.assembly_id 1 # INVALID # _pdbx_struct_assembly_auth_evidence.experimental_support 'gel filtration' # INVALID # _pdbx_struct_assembly_auth_evidence.details ? # # INVALID # _space_group.name_H-M_alt 'C 2 2 21' # INVALID # _space_group.name_Hall 'C 2c 2' # INVALID # _space_group.IT_number 20 # INVALID # _space_group.crystal_system orthorhombic # INVALID # _space_group.id 1 #
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