|
data_8F9H |
|
# |
|
_entry.id 8F9H |
|
# |
|
_audit_conform.dict_name mmcif_pdbx.dic |
|
_audit_conform.dict_version 5.381 |
|
_audit_conform.dict_location http: |
|
# |
|
loop_ |
|
_database_2.database_id |
|
_database_2.database_code |
|
_database_2.pdbx_database_accession |
|
_database_2.pdbx_DOI |
|
PDB 8F9H pdb_00008f9h 10.2210/pdb8f9h/pdb |
|
WWPDB D_1000270226 ? ? |
|
# |
|
_pdbx_database_status.status_code REL |
|
_pdbx_database_status.status_code_sf REL |
|
_pdbx_database_status.status_code_mr ? |
|
_pdbx_database_status.entry_id 8F9H |
|
_pdbx_database_status.recvd_initial_deposition_date 2022-11-23 |
|
_pdbx_database_status.SG_entry N |
|
_pdbx_database_status.deposit_site RCSB |
|
_pdbx_database_status.process_site RCSB |
|
_pdbx_database_status.status_code_cs ? |
|
_pdbx_database_status.status_code_nmr_data ? |
|
_pdbx_database_status.methods_development_category ? |
|
_pdbx_database_status.pdb_format_compatible Y |
|
# |
|
loop_ |
|
_audit_author.name |
|
_audit_author.pdbx_ordinal |
|
_audit_author.identifier_ORCID |
|
'Herrera, V.E.' 1 0000-0002-5577-7867 |
|
'Thomas, L.M.' 2 0000-0003-3920-0619 |
|
# |
|
_citation.abstract ? |
|
_citation.abstract_id_CAS ? |
|
_citation.book_id_ISBN ? |
|
_citation.book_publisher ? |
|
_citation.book_publisher_city ? |
|
_citation.book_title ? |
|
_citation.coordinate_linkage ? |
|
_citation.country US |
|
_citation.database_id_Medline ? |
|
_citation.details ? |
|
_citation.id primary |
|
_citation.journal_abbrev Biochemistry |
|
_citation.journal_id_ASTM BICHAW |
|
_citation.journal_id_CSD 0033 |
|
_citation.journal_id_ISSN 0006-2960 |
|
_citation.journal_full ? |
|
_citation.journal_issue ? |
|
_citation.journal_volume 62 |
|
_citation.language ? |
|
_citation.page_first 1406 |
|
_citation.page_last 1419 |
|
_citation.title |
|
'Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.' |
|
_citation.year 2023 |
|
_citation.database_id_CSD ? |
|
_citation.pdbx_database_id_DOI 10.1021/acs.biochem.2c00725 |
|
_citation.pdbx_database_id_PubMed 37011611 |
|
_citation.pdbx_database_id_patent ? |
|
_citation.unpublished_flag ? |
|
# |
|
loop_ |
|
_citation_author.citation_id |
|
_citation_author.name |
|
_citation_author.ordinal |
|
_citation_author.identifier_ORCID |
|
primary 'Herrera, V.E.' 1 ? |
|
primary 'Charles, T.P.' 2 ? |
|
primary 'Scott, T.G.' 3 ? |
|
primary 'Prather, K.Y.' 4 0000-0002-6753-2787 |
|
primary 'Nguyen, N.T.' 5 ? |
|
primary 'Sohl, C.D.' 6 0000-0002-8048-0205 |
|
primary 'Thomas, L.M.' 7 ? |
|
primary 'Richter-Addo, G.B.' 8 0000-0001-9400-0113 |
|
# |
|
_cell.angle_alpha 90.000 |
|
_cell.angle_alpha_esd ? |
|
_cell.angle_beta 105.890 |
|
_cell.angle_beta_esd ? |
|
_cell.angle_gamma 90.000 |
|
_cell.angle_gamma_esd ? |
|
_cell.entry_id 8F9H |
|
_cell.details ? |
|
_cell.formula_units_Z ? |
|
_cell.length_a 34.856 |
|
_cell.length_a_esd ? |
|
_cell.length_b 29.027 |
|
_cell.length_b_esd ? |
|
_cell.length_c 64.263 |
|
_cell.length_c_esd ? |
|
_cell.volume ? |
|
_cell.volume_esd ? |
|
_cell.Z_PDB 2 |
|
_cell.reciprocal_angle_alpha ? |
|
_cell.reciprocal_angle_beta ? |
|
_cell.reciprocal_angle_gamma ? |
|
_cell.reciprocal_angle_alpha_esd ? |
|
_cell.reciprocal_angle_beta_esd ? |
|
_cell.reciprocal_angle_gamma_esd ? |
|
_cell.reciprocal_length_a ? |
|
_cell.reciprocal_length_b ? |
|
_cell.reciprocal_length_c ? |
|
_cell.reciprocal_length_a_esd ? |
|
_cell.reciprocal_length_b_esd ? |
|
_cell.reciprocal_length_c_esd ? |
|
_cell.pdbx_unique_axis ? |
|
_cell.pdbx_esd_method ? |
|
# |
|
_symmetry.entry_id 8F9H |
|
_symmetry.cell_setting ? |
|
_symmetry.Int_Tables_number 4 |
|
_symmetry.space_group_name_Hall ? |
|
_symmetry.space_group_name_H-M 'P 1 21 1' |
|
_symmetry.pdbx_full_space_group_name_H-M ? |
|
# |
|
loop_ |
|
_entity.id |
|
_entity.type |
|
_entity.src_method |
|
_entity.pdbx_description |
|
_entity.formula_weight |
|
_entity.pdbx_number_of_molecules |
|
_entity.pdbx_ec |
|
_entity.pdbx_mutation |
|
_entity.pdbx_fragment |
|
_entity.details |
|
1 polymer man Myoglobin 17298.094 1 ? H64A ? ? |
|
2 non-polymer man 'PROTOPORPHYRIN IX CONTAINING FE' 616.487 1 ? ? ? ? |
|
3 non-polymer syn NITROSOMETHANE 45.041 1 ? ? ? ? |
|
4 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? |
|
5 water nat water 18.015 85 ? ? ? ? |
|
# |
|
_entity_poly.entity_id 1 |
|
_entity_poly.type 'polypeptide(L)' |
|
_entity_poly.nstd_linkage no |
|
_entity_poly.nstd_monomer no |
|
_entity_poly.pdbx_seq_one_letter_code |
|
;MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKAGVTVLTALGAILKKK |
|
GHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELGYQG |
|
; |
|
_entity_poly.pdbx_seq_one_letter_code_can |
|
;MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKAGVTVLTALGAILKKK |
|
GHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELGYQG |
|
; |
|
_entity_poly.pdbx_strand_id A |
|
_entity_poly.pdbx_target_identifier ? |
|
# |
|
loop_ |
|
_entity_poly_seq.entity_id |
|
_entity_poly_seq.num |
|
_entity_poly_seq.mon_id |
|
_entity_poly_seq.hetero |
|
1 1 MET n |
|
1 2 VAL n |
|
1 3 LEU n |
|
1 4 SER n |
|
1 5 GLU n |
|
1 6 GLY n |
|
1 7 GLU n |
|
1 8 TRP n |
|
1 9 GLN n |
|
1 10 LEU n |
|
1 11 VAL n |
|
1 12 LEU n |
|
1 13 HIS n |
|
1 14 VAL n |
|
1 15 TRP n |
|
1 16 ALA n |
|
1 17 LYS n |
|
1 18 VAL n |
|
1 19 GLU n |
|
1 20 ALA n |
|
1 21 ASP n |
|
1 22 VAL n |
|
1 23 ALA n |
|
1 24 GLY n |
|
1 25 HIS n |
|
1 26 GLY n |
|
1 27 GLN n |
|
1 28 ASP n |
|
1 29 ILE n |
|
1 30 LEU n |
|
1 31 ILE n |
|
1 32 ARG n |
|
1 33 LEU n |
|
1 34 PHE n |
|
1 35 LYS n |
|
1 36 SER n |
|
1 37 HIS n |
|
1 38 PRO n |
|
1 39 GLU n |
|
1 40 THR n |
|
1 41 LEU n |
|
1 42 GLU n |
|
1 43 LYS n |
|
1 44 PHE n |
|
1 45 ASP n |
|
1 46 ARG n |
|
1 47 PHE n |
|
1 48 LYS n |
|
1 49 HIS n |
|
1 50 LEU n |
|
1 51 LYS n |
|
1 52 THR n |
|
1 53 GLU n |
|
1 54 ALA n |
|
1 55 GLU n |
|
1 56 MET n |
|
1 57 LYS n |
|
1 58 ALA n |
|
1 59 SER n |
|
1 60 GLU n |
|
1 61 ASP n |
|
1 62 LEU n |
|
1 63 LYS n |
|
1 64 LYS n |
|
1 65 ALA n |
|
1 66 GLY n |
|
1 67 VAL n |
|
1 68 THR n |
|
1 69 VAL n |
|
1 70 LEU n |
|
1 71 THR n |
|
1 72 ALA n |
|
1 73 LEU n |
|
1 74 GLY n |
|
1 75 ALA n |
|
1 76 ILE n |
|
1 77 LEU n |
|
1 78 LYS n |
|
1 79 LYS n |
|
1 80 LYS n |
|
1 81 GLY n |
|
1 82 HIS n |
|
1 83 HIS n |
|
1 84 GLU n |
|
1 85 ALA n |
|
1 86 GLU n |
|
1 87 LEU n |
|
1 88 LYS n |
|
1 89 PRO n |
|
1 90 LEU n |
|
1 91 ALA n |
|
1 92 GLN n |
|
1 93 SER n |
|
1 94 HIS n |
|
1 95 ALA n |
|
1 96 THR n |
|
1 97 LYS n |
|
1 98 HIS n |
|
1 99 LYS n |
|
1 100 ILE n |
|
1 101 PRO n |
|
1 102 ILE n |
|
1 103 LYS n |
|
1 104 TYR n |
|
1 105 LEU n |
|
1 106 GLU n |
|
1 107 PHE n |
|
1 108 ILE n |
|
1 109 SER n |
|
1 110 GLU n |
|
1 111 ALA n |
|
1 112 ILE n |
|
1 113 ILE n |
|
1 114 HIS n |
|
1 115 VAL n |
|
1 116 LEU n |
|
1 117 HIS n |
|
1 118 SER n |
|
1 119 ARG n |
|
1 120 HIS n |
|
1 121 PRO n |
|
1 122 GLY n |
|
1 123 ASN n |
|
1 124 PHE n |
|
1 125 GLY n |
|
1 126 ALA n |
|
1 127 ASP n |
|
1 128 ALA n |
|
1 129 GLN n |
|
1 130 GLY n |
|
1 131 ALA n |
|
1 132 MET n |
|
1 133 ASN n |
|
1 134 LYS n |
|
1 135 ALA n |
|
1 136 LEU n |
|
1 137 GLU n |
|
1 138 LEU n |
|
1 139 PHE n |
|
1 140 ARG n |
|
1 141 LYS n |
|
1 142 ASP n |
|
1 143 ILE n |
|
1 144 ALA n |
|
1 145 ALA n |
|
1 146 LYS n |
|
1 147 TYR n |
|
1 148 LYS n |
|
1 149 GLU n |
|
1 150 LEU n |
|
1 151 GLY n |
|
1 152 TYR n |
|
1 153 GLN n |
|
1 154 GLY n |
|
# |
|
_entity_src_gen.entity_id 1 |
|
_entity_src_gen.pdbx_src_id 1 |
|
_entity_src_gen.pdbx_alt_source_flag sample |
|
_entity_src_gen.pdbx_seq_type 'Biological sequence' |
|
_entity_src_gen.pdbx_beg_seq_num 1 |
|
_entity_src_gen.pdbx_end_seq_num 154 |
|
_entity_src_gen.gene_src_common_name 'sperm whale' |
|
_entity_src_gen.gene_src_genus ? |
|
_entity_src_gen.pdbx_gene_src_gene MB |
|
_entity_src_gen.gene_src_species ? |
|
_entity_src_gen.gene_src_strain ? |
|
_entity_src_gen.gene_src_tissue ? |
|
_entity_src_gen.gene_src_tissue_fraction ? |
|
_entity_src_gen.gene_src_details ? |
|
_entity_src_gen.pdbx_gene_src_fragment ? |
|
_entity_src_gen.pdbx_gene_src_scientific_name 'Physeter catodon' |
|
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9755 |
|
_entity_src_gen.pdbx_gene_src_variant ? |
|
_entity_src_gen.pdbx_gene_src_cell_line ? |
|
_entity_src_gen.pdbx_gene_src_atcc ? |
|
_entity_src_gen.pdbx_gene_src_organ ? |
|
_entity_src_gen.pdbx_gene_src_organelle ? |
|
_entity_src_gen.pdbx_gene_src_cell ? |
|
_entity_src_gen.pdbx_gene_src_cellular_location ? |
|
_entity_src_gen.host_org_common_name ? |
|
_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21(DE3)' |
|
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 |
|
_entity_src_gen.host_org_genus ? |
|
_entity_src_gen.pdbx_host_org_gene ? |
|
_entity_src_gen.pdbx_host_org_organ ? |
|
_entity_src_gen.host_org_species ? |
|
_entity_src_gen.pdbx_host_org_tissue ? |
|
_entity_src_gen.pdbx_host_org_tissue_fraction ? |
|
_entity_src_gen.pdbx_host_org_strain ? |
|
_entity_src_gen.pdbx_host_org_variant ? |
|
_entity_src_gen.pdbx_host_org_cell_line ? |
|
_entity_src_gen.pdbx_host_org_atcc ? |
|
_entity_src_gen.pdbx_host_org_culture_collection ? |
|
_entity_src_gen.pdbx_host_org_cell ? |
|
_entity_src_gen.pdbx_host_org_organelle ? |
|
_entity_src_gen.pdbx_host_org_cellular_location ? |
|
_entity_src_gen.pdbx_host_org_vector_type ? |
|
_entity_src_gen.pdbx_host_org_vector ? |
|
_entity_src_gen.host_org_details ? |
|
_entity_src_gen.expression_system_id ? |
|
_entity_src_gen.plasmid_name ? |
|
_entity_src_gen.plasmid_details ? |
|
_entity_src_gen.pdbx_description ? |
|
# |
|
_struct_ref.id 1 |
|
_struct_ref.db_name UNP |
|
_struct_ref.db_code MYG_PHYCD |
|
_struct_ref.pdbx_db_accession P02185 |
|
_struct_ref.pdbx_db_isoform ? |
|
_struct_ref.entity_id 1 |
|
_struct_ref.pdbx_seq_one_letter_code |
|
;MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKHGVTVLTALGAILKKK |
|
GHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKELGYQG |
|
; |
|
_struct_ref.pdbx_align_begin 1 |
|
# |
|
_struct_ref_seq.align_id 1 |
|
_struct_ref_seq.ref_id 1 |
|
_struct_ref_seq.pdbx_PDB_id_code 8F9H |
|
_struct_ref_seq.pdbx_strand_id A |
|
_struct_ref_seq.seq_align_beg 1 |
|
_struct_ref_seq.pdbx_seq_align_beg_ins_code ? |
|
_struct_ref_seq.seq_align_end 154 |
|
_struct_ref_seq.pdbx_seq_align_end_ins_code ? |
|
_struct_ref_seq.pdbx_db_accession P02185 |
|
_struct_ref_seq.db_align_beg 1 |
|
_struct_ref_seq.pdbx_db_align_beg_ins_code ? |
|
_struct_ref_seq.db_align_end 154 |
|
_struct_ref_seq.pdbx_db_align_end_ins_code ? |
|
_struct_ref_seq.pdbx_auth_seq_align_beg 0 |
|
_struct_ref_seq.pdbx_auth_seq_align_end 153 |
|
# |
|
loop_ |
|
_struct_ref_seq_dif.align_id |
|
_struct_ref_seq_dif.pdbx_pdb_id_code |
|
_struct_ref_seq_dif.mon_id |
|
_struct_ref_seq_dif.pdbx_pdb_strand_id |
|
_struct_ref_seq_dif.seq_num |
|
_struct_ref_seq_dif.pdbx_pdb_ins_code |
|
_struct_ref_seq_dif.pdbx_seq_db_name |
|
_struct_ref_seq_dif.pdbx_seq_db_accession_code |
|
_struct_ref_seq_dif.db_mon_id |
|
_struct_ref_seq_dif.pdbx_seq_db_seq_num |
|
_struct_ref_seq_dif.details |
|
_struct_ref_seq_dif.pdbx_auth_seq_num |
|
_struct_ref_seq_dif.pdbx_ordinal |
|
1 8F9H ALA A 65 ? UNP P02185 HIS 65 'engineered mutation' 64 1 |
|
1 8F9H ASN A 123 ? UNP P02185 ASP 123 variant 122 2 |
|
# |
|
loop_ |
|
_chem_comp.id |
|
_chem_comp.type |
|
_chem_comp.mon_nstd_flag |
|
_chem_comp.name |
|
_chem_comp.pdbx_synonyms |
|
_chem_comp.formula |
|
_chem_comp.formula_weight |
|
ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 |
|
ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 |
|
ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 |
|
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 |
|
GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 |
|
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 |
|
GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 |
|
HEM non-polymer . 'PROTOPORPHYRIN IX CONTAINING FE' HEME 'C34 H32 Fe N4 O4' 616.487 |
|
HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 |
|
HOH non-polymer . WATER ? 'H2 O' 18.015 |
|
ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 |
|
LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 |
|
LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 |
|
MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 |
|
NSM non-polymer . NITROSOMETHANE ? 'C H3 N O' 45.041 |
|
PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 |
|
PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 |
|
SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 |
|
SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 |
|
THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 |
|
TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 |
|
TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 |
|
VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 |
|
# |
|
_exptl.absorpt_coefficient_mu ? |
|
_exptl.absorpt_correction_T_max ? |
|
_exptl.absorpt_correction_T_min ? |
|
_exptl.absorpt_correction_type ? |
|
_exptl.absorpt_process_details ? |
|
_exptl.entry_id 8F9H |
|
_exptl.crystals_number 1 |
|
_exptl.details ? |
|
_exptl.method 'X-RAY DIFFRACTION' |
|
_exptl.method_details ? |
|
# |
|
_exptl_crystal.colour ? |
|
_exptl_crystal.density_diffrn ? |
|
_exptl_crystal.density_Matthews 1.81 |
|
_exptl_crystal.density_method ? |
|
_exptl_crystal.density_percent_sol 31.95 |
|
_exptl_crystal.description ? |
|
_exptl_crystal.F_000 ? |
|
_exptl_crystal.id 1 |
|
_exptl_crystal.preparation ? |
|
_exptl_crystal.size_max ? |
|
_exptl_crystal.size_mid ? |
|
_exptl_crystal.size_min ? |
|
_exptl_crystal.size_rad ? |
|
_exptl_crystal.colour_lustre ? |
|
_exptl_crystal.colour_modifier ? |
|
_exptl_crystal.colour_primary ? |
|
_exptl_crystal.density_meas ? |
|
_exptl_crystal.density_meas_esd ? |
|
_exptl_crystal.density_meas_gt ? |
|
_exptl_crystal.density_meas_lt ? |
|
_exptl_crystal.density_meas_temp ? |
|
_exptl_crystal.density_meas_temp_esd ? |
|
_exptl_crystal.density_meas_temp_gt ? |
|
_exptl_crystal.density_meas_temp_lt ? |
|
_exptl_crystal.pdbx_crystal_image_url ? |
|
_exptl_crystal.pdbx_crystal_image_format ? |
|
_exptl_crystal.pdbx_mosaicity ? |
|
_exptl_crystal.pdbx_mosaicity_esd ? |
|
_exptl_crystal.pdbx_mosaic_method ? |
|
_exptl_crystal.pdbx_mosaic_block_size ? |
|
_exptl_crystal.pdbx_mosaic_block_size_esd ? |
|
# |
|
_exptl_crystal_grow.apparatus ? |
|
_exptl_crystal_grow.atmosphere ? |
|
_exptl_crystal_grow.crystal_id 1 |
|
_exptl_crystal_grow.details ? |
|
_exptl_crystal_grow.method 'BATCH MODE' |
|
_exptl_crystal_grow.method_ref ? |
|
_exptl_crystal_grow.pH 7.4 |
|
_exptl_crystal_grow.pressure ? |
|
_exptl_crystal_grow.pressure_esd ? |
|
_exptl_crystal_grow.seeding ? |
|
_exptl_crystal_grow.seeding_ref ? |
|
_exptl_crystal_grow.temp_details 'Room temperature, could fluctuate slightly day by day' |
|
_exptl_crystal_grow.temp_esd ? |
|
_exptl_crystal_grow.time ? |
|
_exptl_crystal_grow.pdbx_details '2.3-2.6 M Ammonium Sulfate, 100 mM Tris-HCl, 1 mm EDTA, pH 7.4' |
|
_exptl_crystal_grow.pdbx_pH_range ? |
|
_exptl_crystal_grow.temp 296.3 |
|
# |
|
_diffrn.ambient_environment ? |
|
_diffrn.ambient_temp 100 |
|
_diffrn.ambient_temp_details ? |
|
_diffrn.ambient_temp_esd ? |
|
_diffrn.crystal_id 1 |
|
_diffrn.crystal_support ? |
|
_diffrn.crystal_treatment ? |
|
_diffrn.details ? |
|
_diffrn.id 1 |
|
_diffrn.ambient_pressure ? |
|
_diffrn.ambient_pressure_esd ? |
|
_diffrn.ambient_pressure_gt ? |
|
_diffrn.ambient_pressure_lt ? |
|
_diffrn.ambient_temp_gt ? |
|
_diffrn.ambient_temp_lt ? |
|
_diffrn.pdbx_serial_crystal_experiment N |
|
# |
|
_diffrn_detector.details ? |
|
_diffrn_detector.detector PIXEL |
|
_diffrn_detector.diffrn_id 1 |
|
_diffrn_detector.type 'DECTRIS PILATUS 200K' |
|
_diffrn_detector.area_resol_mean ? |
|
_diffrn_detector.dtime ? |
|
_diffrn_detector.pdbx_frames_total ? |
|
_diffrn_detector.pdbx_collection_time_total ? |
|
_diffrn_detector.pdbx_collection_date 2017-07-06 |
|
_diffrn_detector.pdbx_frequency ? |
|
# |
|
_diffrn_radiation.collimation ? |
|
_diffrn_radiation.diffrn_id 1 |
|
_diffrn_radiation.filter_edge ? |
|
_diffrn_radiation.inhomogeneity ? |
|
_diffrn_radiation.monochromator ? |
|
_diffrn_radiation.polarisn_norm ? |
|
_diffrn_radiation.polarisn_ratio ? |
|
_diffrn_radiation.probe ? |
|
_diffrn_radiation.type ? |
|
_diffrn_radiation.xray_symbol ? |
|
_diffrn_radiation.wavelength_id 1 |
|
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M |
|
_diffrn_radiation.pdbx_wavelength_list ? |
|
_diffrn_radiation.pdbx_wavelength ? |
|
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' |
|
_diffrn_radiation.pdbx_analyzer ? |
|
_diffrn_radiation.pdbx_scattering_type x-ray |
|
# |
|
_diffrn_radiation_wavelength.id 1 |
|
_diffrn_radiation_wavelength.wavelength 1.5418 |
|
_diffrn_radiation_wavelength.wt 1.0 |
|
# |
|
_diffrn_source.current ? |
|
_diffrn_source.details ? |
|
_diffrn_source.diffrn_id 1 |
|
_diffrn_source.power ? |
|
_diffrn_source.size ? |
|
_diffrn_source.source 'ROTATING ANODE' |
|
_diffrn_source.target ? |
|
_diffrn_source.type 'RIGAKU MICROMAX-007 HF' |
|
_diffrn_source.voltage ? |
|
_diffrn_source.take-off_angle ? |
|
_diffrn_source.pdbx_wavelength_list 1.5418 |
|
_diffrn_source.pdbx_wavelength ? |
|
_diffrn_source.pdbx_synchrotron_beamline ? |
|
_diffrn_source.pdbx_synchrotron_site ? |
|
# |
|
_reflns.B_iso_Wilson_estimate ? |
|
_reflns.entry_id 8F9H |
|
_reflns.data_reduction_details ? |
|
_reflns.data_reduction_method ? |
|
_reflns.d_resolution_high 1.750 |
|
_reflns.d_resolution_low 50.0100 |
|
_reflns.details ? |
|
_reflns.limit_h_max ? |
|
_reflns.limit_h_min ? |
|
_reflns.limit_k_max ? |
|
_reflns.limit_k_min ? |
|
_reflns.limit_l_max ? |
|
_reflns.limit_l_min ? |
|
_reflns.number_all ? |
|
_reflns.number_obs 12746 |
|
_reflns.observed_criterion ? |
|
_reflns.observed_criterion_F_max ? |
|
_reflns.observed_criterion_F_min ? |
|
_reflns.observed_criterion_I_max ? |
|
_reflns.observed_criterion_I_min ? |
|
_reflns.observed_criterion_sigma_F ? |
|
_reflns.observed_criterion_sigma_I ? |
|
_reflns.percent_possible_obs 99.400 |
|
_reflns.R_free_details ? |
|
_reflns.Rmerge_F_all ? |
|
_reflns.Rmerge_F_obs ? |
|
_reflns.Friedel_coverage ? |
|
_reflns.number_gt ? |
|
_reflns.threshold_expression ? |
|
_reflns.pdbx_redundancy 3.800 |
|
_reflns.pdbx_netI_over_av_sigmaI ? |
|
_reflns.pdbx_netI_over_sigmaI 22.97 |
|
_reflns.pdbx_res_netI_over_av_sigmaI_2 ? |
|
_reflns.pdbx_res_netI_over_sigmaI_2 ? |
|
_reflns.pdbx_chi_squared ? |
|
_reflns.pdbx_scaling_rejects ? |
|
_reflns.pdbx_d_res_high_opt ? |
|
_reflns.pdbx_d_res_low_opt ? |
|
_reflns.pdbx_d_res_opt_method ? |
|
_reflns.phase_calculation_details ? |
|
_reflns.pdbx_Rrim_I_all 0.053 |
|
_reflns.pdbx_Rpim_I_all 0.026 |
|
_reflns.pdbx_d_opt ? |
|
_reflns.pdbx_number_measured_all ? |
|
_reflns.pdbx_diffrn_id 1 |
|
_reflns.pdbx_ordinal 1 |
|
_reflns.pdbx_CC_half ? |
|
_reflns.pdbx_CC_star ? |
|
_reflns.pdbx_R_split ? |
|
_reflns.pdbx_Rmerge_I_obs ? |
|
_reflns.pdbx_Rmerge_I_all ? |
|
_reflns.pdbx_Rsym_value ? |
|
_reflns.pdbx_CC_split_method ? |
|
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1] ? |
|
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2] ? |
|
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3] ? |
|
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1] ? |
|
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2] ? |
|
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3] ? |
|
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1] ? |
|
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2] ? |
|
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3] ? |
|
_reflns.pdbx_aniso_diffraction_limit_1 ? |
|
_reflns.pdbx_aniso_diffraction_limit_2 ? |
|
_reflns.pdbx_aniso_diffraction_limit_3 ? |
|
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1] ? |
|
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2] ? |
|
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3] ? |
|
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1] ? |
|
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2] ? |
|
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3] ? |
|
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1] ? |
|
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2] ? |
|
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3] ? |
|
_reflns.pdbx_aniso_B_tensor_eigenvalue_1 ? |
|
_reflns.pdbx_aniso_B_tensor_eigenvalue_2 ? |
|
_reflns.pdbx_aniso_B_tensor_eigenvalue_3 ? |
|
_reflns.pdbx_orthogonalization_convention ? |
|
_reflns.pdbx_percent_possible_ellipsoidal ? |
|
_reflns.pdbx_percent_possible_spherical ? |
|
_reflns.pdbx_percent_possible_ellipsoidal_anomalous ? |
|
_reflns.pdbx_percent_possible_spherical_anomalous ? |
|
_reflns.pdbx_redundancy_anomalous ? |
|
_reflns.pdbx_CC_half_anomalous ? |
|
_reflns.pdbx_absDiff_over_sigma_anomalous ? |
|
_reflns.pdbx_percent_possible_anomalous ? |
|
_reflns.pdbx_observed_signal_threshold ? |
|
_reflns.pdbx_signal_type ? |
|
_reflns.pdbx_signal_details ? |
|
_reflns.pdbx_signal_software_id ? |
|
# |
|
loop_ |
|
_reflns_shell.d_res_high |
|
_reflns_shell.d_res_low |
|
_reflns_shell.meanI_over_sigI_all |
|
_reflns_shell.meanI_over_sigI_obs |
|
_reflns_shell.number_measured_all |
|
_reflns_shell.number_measured_obs |
|
_reflns_shell.number_possible |
|
_reflns_shell.number_unique_all |
|
_reflns_shell.number_unique_obs |
|
_reflns_shell.percent_possible_obs |
|
_reflns_shell.Rmerge_F_all |
|
_reflns_shell.Rmerge_F_obs |
|
_reflns_shell.meanI_over_sigI_gt |
|
_reflns_shell.meanI_over_uI_all |
|
_reflns_shell.meanI_over_uI_gt |
|
_reflns_shell.number_measured_gt |
|
_reflns_shell.number_unique_gt |
|
_reflns_shell.percent_possible_gt |
|
_reflns_shell.Rmerge_F_gt |
|
_reflns_shell.Rmerge_I_gt |
|
_reflns_shell.pdbx_redundancy |
|
_reflns_shell.pdbx_chi_squared |
|
_reflns_shell.pdbx_netI_over_sigmaI_all |
|
_reflns_shell.pdbx_netI_over_sigmaI_obs |
|
_reflns_shell.pdbx_Rrim_I_all |
|
_reflns_shell.pdbx_Rpim_I_all |
|
_reflns_shell.pdbx_rejects |
|
_reflns_shell.pdbx_ordinal |
|
_reflns_shell.pdbx_diffrn_id |
|
_reflns_shell.pdbx_CC_half |
|
_reflns_shell.pdbx_CC_star |
|
_reflns_shell.pdbx_R_split |
|
_reflns_shell.percent_possible_all |
|
_reflns_shell.Rmerge_I_all |
|
_reflns_shell.Rmerge_I_obs |
|
_reflns_shell.pdbx_Rsym_value |
|
_reflns_shell.pdbx_percent_possible_ellipsoidal |
|
_reflns_shell.pdbx_percent_possible_spherical |
|
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous |
|
_reflns_shell.pdbx_percent_possible_spherical_anomalous |
|
_reflns_shell.pdbx_redundancy_anomalous |
|
_reflns_shell.pdbx_CC_half_anomalous |
|
_reflns_shell.pdbx_absDiff_over_sigma_anomalous |
|
_reflns_shell.pdbx_percent_possible_anomalous |
|
1.750 1.780 ? ? ? ? ? ? 562 ? ? ? ? ? ? ? ? ? ? ? 2.000 0.672 ? ? 0.127 0.079 ? 1 1 0.965 ? ? 92.900 ? 0.098 ? ? ? ? ? ? ? ? ? |
|
1.780 1.810 ? ? ? ? ? ? 660 ? ? ? ? ? ? ? ? ? ? ? 2.400 0.775 ? ? 0.127 0.077 ? 2 1 0.955 ? ? 98.800 ? 0.100 ? ? ? ? ? ? ? ? ? |
|
1.810 1.850 ? ? ? ? ? ? 616 ? ? ? ? ? ? ? ? ? ? ? 2.600 0.816 ? ? 0.118 0.069 ? 3 1 0.976 ? ? 99.400 ? 0.095 ? ? ? ? ? ? ? ? ? |
|
1.850 1.890 ? ? ? ? ? ? 616 ? ? ? ? ? ? ? ? ? ? ? 3.000 0.706 ? ? 0.111 0.061 ? 4 1 0.978 ? ? 99.000 ? 0.091 ? ? ? ? ? ? ? ? ? |
|
1.890 1.930 ? ? ? ? ? ? 642 ? ? ? ? ? ? ? ? ? ? ? 3.400 0.847 ? ? 0.105 0.055 ? 5 1 0.979 ? ? 99.500 ? 0.089 ? ? ? ? ? ? ? ? ? |
|
1.930 1.970 ? ? ? ? ? ? 628 ? ? ? ? ? ? ? ? ? ? ? 3.900 0.712 ? ? 0.094 0.047 ? 6 1 0.984 ? ? 99.800 ? 0.081 ? ? ? ? ? ? ? ? ? |
|
1.970 2.020 ? ? ? ? ? ? 631 ? ? ? ? ? ? ? ? ? ? ? 3.900 0.868 ? ? 0.098 0.048 ? 7 1 0.983 ? ? 100.000 ? 0.085 ? ? ? ? ? ? ? ? ? |
|
2.020 2.070 ? ? ? ? ? ? 657 ? ? ? ? ? ? ? ? ? ? ? 4.000 0.879 ? ? 0.088 0.043 ? 8 1 0.987 ? ? 100.000 ? 0.076 ? ? ? ? ? ? ? ? ? |
|
2.070 2.140 ? ? ? ? ? ? 613 ? ? ? ? ? ? ? ? ? ? ? 4.200 0.836 ? ? 0.080 0.038 ? 9 1 0.986 ? ? 100.000 ? 0.070 ? ? ? ? ? ? ? ? ? |
|
2.140 2.200 ? ? ? ? ? ? 640 ? ? ? ? ? ? ? ? ? ? ? 4.200 0.743 ? ? 0.071 0.034 ? 10 1 0.991 ? ? 99.800 ? 0.062 ? ? ? ? ? ? ? ? ? |
|
2.200 2.280 ? ? ? ? ? ? 639 ? ? ? ? ? ? ? ? ? ? ? 4.400 0.995 ? ? 0.075 0.035 ? 11 1 0.992 ? ? 100.000 ? 0.066 ? ? ? ? ? ? ? ? ? |
|
2.280 2.380 ? ? ? ? ? ? 634 ? ? ? ? ? ? ? ? ? ? ? 4.400 0.694 ? ? 0.066 0.031 ? 12 1 0.992 ? ? 99.800 ? 0.058 ? ? ? ? ? ? ? ? ? |
|
2.380 2.480 ? ? ? ? ? ? 647 ? ? ? ? ? ? ? ? ? ? ? 4.300 0.712 ? ? 0.061 0.028 ? 13 1 0.993 ? ? 100.000 ? 0.054 ? ? ? ? ? ? ? ? ? |
|
2.480 2.610 ? ? ? ? ? ? 638 ? ? ? ? ? ? ? ? ? ? ? 4.400 0.721 ? ? 0.059 0.027 ? 14 1 0.993 ? ? 100.000 ? 0.052 ? ? ? ? ? ? ? ? ? |
|
2.610 2.780 ? ? ? ? ? ? 631 ? ? ? ? ? ? ? ? ? ? ? 4.300 0.728 ? ? 0.055 0.026 ? 15 1 0.994 ? ? 100.000 ? 0.049 ? ? ? ? ? ? ? ? ? |
|
2.780 2.990 ? ? ? ? ? ? 645 ? ? ? ? ? ? ? ? ? ? ? 4.300 0.769 ? ? 0.053 0.025 ? 16 1 0.994 ? ? 100.000 ? 0.047 ? ? ? ? ? ? ? ? ? |
|
2.990 3.290 ? ? ? ? ? ? 647 ? ? ? ? ? ? ? ? ? ? ? 4.300 0.784 ? ? 0.048 0.022 ? 17 1 0.994 ? ? 99.800 ? 0.042 ? ? ? ? ? ? ? ? ? |
|
3.290 3.770 ? ? ? ? ? ? 657 ? ? ? ? ? ? ? ? ? ? ? 4.200 1.065 ? ? 0.044 0.021 ? 18 1 0.994 ? ? 99.800 ? 0.039 ? ? ? ? ? ? ? ? ? |
|
3.770 4.750 ? ? ? ? ? ? 656 ? ? ? ? ? ? ? ? ? ? ? 4.000 1.102 ? ? 0.041 0.019 ? 19 1 0.994 ? ? 99.500 ? 0.036 ? ? ? ? ? ? ? ? ? |
|
4.750 50.000 ? ? ? ? ? ? 687 ? ? ? ? ? ? ? ? ? ? ? 3.400 0.781 ? ? 0.032 0.016 ? 20 1 0.997 ? ? 99.700 ? 0.027 ? ? ? ? ? ? ? ? ? |
|
# |
|
_refine.aniso_B[1][1] -0.0800 |
|
_refine.aniso_B[1][2] 0.0000 |
|
_refine.aniso_B[1][3] 0.0100 |
|
_refine.aniso_B[2][2] 0.0600 |
|
_refine.aniso_B[2][3] 0.0000 |
|
_refine.aniso_B[3][3] 0.0100 |
|
_refine.B_iso_max 59.270 |
|
_refine.B_iso_mean 18.1310 |
|
_refine.B_iso_min 11.070 |
|
_refine.correlation_coeff_Fo_to_Fc 0.9680 |
|
_refine.correlation_coeff_Fo_to_Fc_free 0.9410 |
|
_refine.details |
|
'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY' |
|
_refine.diff_density_max ? |
|
_refine.diff_density_max_esd ? |
|
_refine.diff_density_min ? |
|
_refine.diff_density_min_esd ? |
|
_refine.diff_density_rms ? |
|
_refine.diff_density_rms_esd ? |
|
_refine.entry_id 8F9H |
|
_refine.pdbx_refine_id 'X-RAY DIFFRACTION' |
|
_refine.ls_abs_structure_details ? |
|
_refine.ls_abs_structure_Flack ? |
|
_refine.ls_abs_structure_Flack_esd ? |
|
_refine.ls_abs_structure_Rogers ? |
|
_refine.ls_abs_structure_Rogers_esd ? |
|
_refine.ls_d_res_high 1.7500 |
|
_refine.ls_d_res_low 50.0 |
|
_refine.ls_extinction_coef ? |
|
_refine.ls_extinction_coef_esd ? |
|
_refine.ls_extinction_expression ? |
|
_refine.ls_extinction_method ? |
|
_refine.ls_goodness_of_fit_all ? |
|
_refine.ls_goodness_of_fit_all_esd ? |
|
_refine.ls_goodness_of_fit_obs ? |
|
_refine.ls_goodness_of_fit_obs_esd ? |
|
_refine.ls_hydrogen_treatment ? |
|
_refine.ls_matrix_type ? |
|
_refine.ls_number_constraints ? |
|
_refine.ls_number_parameters ? |
|
_refine.ls_number_reflns_all ? |
|
_refine.ls_number_reflns_obs 12074 |
|
_refine.ls_number_reflns_R_free 619 |
|
_refine.ls_number_reflns_R_work ? |
|
_refine.ls_number_restraints ? |
|
_refine.ls_percent_reflns_obs 99.4500 |
|
_refine.ls_percent_reflns_R_free 4.9000 |
|
_refine.ls_R_factor_all ? |
|
_refine.ls_R_factor_obs 0.1545 |
|
_refine.ls_R_factor_R_free 0.2010 |
|
_refine.ls_R_factor_R_free_error ? |
|
_refine.ls_R_factor_R_free_error_details ? |
|
_refine.ls_R_factor_R_work 0.1522 |
|
_refine.ls_R_Fsqd_factor_obs ? |
|
_refine.ls_R_I_factor_obs ? |
|
_refine.ls_redundancy_reflns_all ? |
|
_refine.ls_redundancy_reflns_obs ? |
|
_refine.ls_restrained_S_all ? |
|
_refine.ls_restrained_S_obs ? |
|
_refine.ls_shift_over_esd_max ? |
|
_refine.ls_shift_over_esd_mean ? |
|
_refine.ls_structure_factor_coef ? |
|
_refine.ls_weighting_details ? |
|
_refine.ls_weighting_scheme ? |
|
_refine.ls_wR_factor_all ? |
|
_refine.ls_wR_factor_obs ? |
|
_refine.ls_wR_factor_R_free ? |
|
_refine.ls_wR_factor_R_work ? |
|
_refine.occupancy_max ? |
|
_refine.occupancy_min ? |
|
_refine.solvent_model_details MASK |
|
_refine.solvent_model_param_bsol ? |
|
_refine.solvent_model_param_ksol ? |
|
_refine.pdbx_R_complete ? |
|
_refine.ls_R_factor_gt ? |
|
_refine.ls_goodness_of_fit_gt ? |
|
_refine.ls_goodness_of_fit_ref ? |
|
_refine.ls_shift_over_su_max ? |
|
_refine.ls_shift_over_su_max_lt ? |
|
_refine.ls_shift_over_su_mean ? |
|
_refine.ls_shift_over_su_mean_lt ? |
|
_refine.pdbx_ls_sigma_I ? |
|
_refine.pdbx_ls_sigma_F 0.000 |
|
_refine.pdbx_ls_sigma_Fsqd ? |
|
_refine.pdbx_data_cutoff_high_absF ? |
|
_refine.pdbx_data_cutoff_high_rms_absF ? |
|
_refine.pdbx_data_cutoff_low_absF ? |
|
_refine.pdbx_isotropic_thermal_model ? |
|
_refine.pdbx_ls_cross_valid_method THROUGHOUT |
|
_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' |
|
_refine.pdbx_starting_model 5ILE |
|
_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' |
|
_refine.pdbx_R_Free_selection_details RANDOM |
|
_refine.pdbx_stereochem_target_val_spec_case ? |
|
_refine.pdbx_overall_ESU_R 0.1210 |
|
_refine.pdbx_overall_ESU_R_Free 0.1190 |
|
_refine.pdbx_solvent_vdw_probe_radii 1.2000 |
|
_refine.pdbx_solvent_ion_probe_radii 0.8000 |
|
_refine.pdbx_solvent_shrinkage_radii 0.8000 |
|
_refine.pdbx_real_space_R ? |
|
_refine.pdbx_density_correlation ? |
|
_refine.pdbx_pd_number_of_powder_patterns ? |
|
_refine.pdbx_pd_number_of_points ? |
|
_refine.pdbx_pd_meas_number_of_points ? |
|
_refine.pdbx_pd_proc_ls_prof_R_factor ? |
|
_refine.pdbx_pd_proc_ls_prof_wR_factor ? |
|
_refine.pdbx_pd_Marquardt_correlation_coeff ? |
|
_refine.pdbx_pd_Fsqrd_R_factor ? |
|
_refine.pdbx_pd_ls_matrix_band_width ? |
|
_refine.pdbx_overall_phase_error ? |
|
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? |
|
_refine.pdbx_overall_SU_R_free_Blow_DPI ? |
|
_refine.pdbx_overall_SU_R_Blow_DPI ? |
|
_refine.pdbx_TLS_residual_ADP_flag ? |
|
_refine.pdbx_diffrn_id 1 |
|
_refine.overall_SU_B 2.1670 |
|
_refine.overall_SU_ML 0.0700 |
|
_refine.overall_SU_R_Cruickshank_DPI ? |
|
_refine.overall_SU_R_free ? |
|
_refine.overall_FOM_free_R_set ? |
|
_refine.overall_FOM_work_R_set ? |
|
_refine.pdbx_average_fsc_overall ? |
|
_refine.pdbx_average_fsc_work ? |
|
_refine.pdbx_average_fsc_free ? |
|
# |
|
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' |
|
_refine_hist.cycle_id final |
|
_refine_hist.details ? |
|
_refine_hist.d_res_high 1.7500 |
|
_refine_hist.d_res_low 50.0 |
|
_refine_hist.number_atoms_solvent 85 |
|
_refine_hist.number_atoms_total 1334 |
|
_refine_hist.number_reflns_all ? |
|
_refine_hist.number_reflns_obs ? |
|
_refine_hist.number_reflns_R_free ? |
|
_refine_hist.number_reflns_R_work ? |
|
_refine_hist.R_factor_all ? |
|
_refine_hist.R_factor_obs ? |
|
_refine_hist.R_factor_R_free ? |
|
_refine_hist.R_factor_R_work ? |
|
_refine_hist.pdbx_number_residues_total 151 |
|
_refine_hist.pdbx_B_iso_mean_ligand 14.89 |
|
_refine_hist.pdbx_B_iso_mean_solvent 22.38 |
|
_refine_hist.pdbx_number_atoms_protein 1198 |
|
_refine_hist.pdbx_number_atoms_nucleic_acid 0 |
|
_refine_hist.pdbx_number_atoms_ligand 51 |
|
_refine_hist.pdbx_number_atoms_lipid ? |
|
_refine_hist.pdbx_number_atoms_carb ? |
|
_refine_hist.pdbx_pseudo_atom_details ? |
|
# |
|
loop_ |
|
_refine_ls_restr.pdbx_refine_id |
|
_refine_ls_restr.criterion |
|
_refine_ls_restr.dev_ideal |
|
_refine_ls_restr.dev_ideal_target |
|
_refine_ls_restr.number |
|
_refine_ls_restr.rejects |
|
_refine_ls_restr.type |
|
_refine_ls_restr.weight |
|
_refine_ls_restr.pdbx_restraint_function |
|
'X-RAY DIFFRACTION' ? 0.019 0.019 1283 ? r_bond_refined_d ? ? |
|
'X-RAY DIFFRACTION' ? 0.002 0.020 1228 ? r_bond_other_d ? ? |
|
'X-RAY DIFFRACTION' ? 2.060 2.007 1735 ? r_angle_refined_deg ? ? |
|
'X-RAY DIFFRACTION' ? 1.083 3.000 2844 ? r_angle_other_deg ? ? |
|
'X-RAY DIFFRACTION' ? 5.288 5.000 150 ? r_dihedral_angle_1_deg ? ? |
|
'X-RAY DIFFRACTION' ? 34.834 24.231 52 ? r_dihedral_angle_2_deg ? ? |
|
'X-RAY DIFFRACTION' ? 14.288 15.000 233 ? r_dihedral_angle_3_deg ? ? |
|
'X-RAY DIFFRACTION' ? 14.519 15.000 4 ? r_dihedral_angle_4_deg ? ? |
|
'X-RAY DIFFRACTION' ? 0.147 0.200 184 ? r_chiral_restr ? ? |
|
'X-RAY DIFFRACTION' ? 0.011 0.020 1394 ? r_gen_planes_refined ? ? |
|
'X-RAY DIFFRACTION' ? 0.007 0.020 259 ? r_gen_planes_other ? ? |
|
# |
|
_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' |
|
_refine_ls_shell.d_res_high 1.7500 |
|
_refine_ls_shell.d_res_low 1.7950 |
|
_refine_ls_shell.number_reflns_all 876 |
|
_refine_ls_shell.number_reflns_obs ? |
|
_refine_ls_shell.number_reflns_R_free 39 |
|
_refine_ls_shell.number_reflns_R_work 837 |
|
_refine_ls_shell.percent_reflns_obs 95.2200 |
|
_refine_ls_shell.percent_reflns_R_free ? |
|
_refine_ls_shell.R_factor_all ? |
|
_refine_ls_shell.R_factor_obs ? |
|
_refine_ls_shell.R_factor_R_free_error 0.0000 |
|
_refine_ls_shell.R_factor_R_work 0.2040 |
|
_refine_ls_shell.redundancy_reflns_all ? |
|
_refine_ls_shell.redundancy_reflns_obs ? |
|
_refine_ls_shell.wR_factor_all ? |
|
_refine_ls_shell.wR_factor_obs ? |
|
_refine_ls_shell.wR_factor_R_free ? |
|
_refine_ls_shell.wR_factor_R_work ? |
|
_refine_ls_shell.pdbx_R_complete ? |
|
_refine_ls_shell.pdbx_total_number_of_bins_used 20 |
|
_refine_ls_shell.pdbx_phase_error ? |
|
_refine_ls_shell.pdbx_fsc_work ? |
|
_refine_ls_shell.pdbx_fsc_free ? |
|
_refine_ls_shell.R_factor_R_free 0.2930 |
|
# |
|
_struct.entry_id 8F9H |
|
_struct.title 'H64A swMb-MeNO adduct' |
|
_struct.pdbx_model_details ? |
|
_struct.pdbx_formula_weight ? |
|
_struct.pdbx_formula_weight_method ? |
|
_struct.pdbx_model_type_details ? |
|
_struct.pdbx_CASP_flag N |
|
# |
|
_struct_keywords.entry_id 8F9H |
|
_struct_keywords.text 'Myoglobin, Nitroso, Nitrosomethane, RNO, Mb, TRANSPORT PROTEIN' |
|
_struct_keywords.pdbx_keywords 'TRANSPORT PROTEIN' |
|
# |
|
loop_ |
|
_struct_asym.id |
|
_struct_asym.pdbx_blank_PDB_chainid_flag |
|
_struct_asym.pdbx_modified |
|
_struct_asym.entity_id |
|
_struct_asym.details |
|
A N N 1 ? |
|
B N N 2 ? |
|
C N N 3 ? |
|
D N N 4 ? |
|
E N N 5 ? |
|
# |
|
loop_ |
|
_struct_conf.conf_type_id |
|
_struct_conf.id |
|
_struct_conf.pdbx_PDB_helix_id |
|
_struct_conf.beg_label_comp_id |
|
_struct_conf.beg_label_asym_id |
|
_struct_conf.beg_label_seq_id |
|
_struct_conf.pdbx_beg_PDB_ins_code |
|
_struct_conf.end_label_comp_id |
|
_struct_conf.end_label_asym_id |
|
_struct_conf.end_label_seq_id |
|
_struct_conf.pdbx_end_PDB_ins_code |
|
_struct_conf.beg_auth_comp_id |
|
_struct_conf.beg_auth_asym_id |
|
_struct_conf.beg_auth_seq_id |
|
_struct_conf.end_auth_comp_id |
|
_struct_conf.end_auth_asym_id |
|
_struct_conf.end_auth_seq_id |
|
_struct_conf.pdbx_PDB_helix_class |
|
_struct_conf.details |
|
_struct_conf.pdbx_PDB_helix_length |
|
HELX_P HELX_P1 AA1 SER A 4 ? ALA A 20 ? SER A 3 ALA A 19 1 ? 17 |
|
HELX_P HELX_P2 AA2 ASP A 21 ? HIS A 37 ? ASP A 20 HIS A 36 1 ? 17 |
|
HELX_P HELX_P3 AA3 HIS A 37 ? GLU A 42 ? HIS A 36 GLU A 41 1 ? 6 |
|
HELX_P HELX_P4 AA4 THR A 52 ? SER A 59 ? THR A 51 SER A 58 1 ? 8 |
|
HELX_P HELX_P5 AA5 SER A 59 ? LYS A 79 ? SER A 58 LYS A 78 1 ? 21 |
|
HELX_P HELX_P6 AA6 HIS A 83 ? LYS A 97 ? HIS A 82 LYS A 96 1 ? 15 |
|
HELX_P HELX_P7 AA7 PRO A 101 ? HIS A 120 ? PRO A 100 HIS A 119 1 ? 20 |
|
HELX_P HELX_P8 AA8 GLY A 125 ? LEU A 150 ? GLY A 124 LEU A 149 1 ? 26 |
|
# |
|
_struct_conf_type.id HELX_P |
|
_struct_conf_type.criteria ? |
|
_struct_conf_type.reference ? |
|
# |
|
loop_ |
|
_struct_conn.id |
|
_struct_conn.conn_type_id |
|
_struct_conn.pdbx_leaving_atom_flag |
|
_struct_conn.pdbx_PDB_id |
|
_struct_conn.ptnr1_label_asym_id |
|
_struct_conn.ptnr1_label_comp_id |
|
_struct_conn.ptnr1_label_seq_id |
|
_struct_conn.ptnr1_label_atom_id |
|
_struct_conn.pdbx_ptnr1_label_alt_id |
|
_struct_conn.pdbx_ptnr1_PDB_ins_code |
|
_struct_conn.pdbx_ptnr1_standard_comp_id |
|
_struct_conn.ptnr1_symmetry |
|
_struct_conn.ptnr2_label_asym_id |
|
_struct_conn.ptnr2_label_comp_id |
|
_struct_conn.ptnr2_label_seq_id |
|
_struct_conn.ptnr2_label_atom_id |
|
_struct_conn.pdbx_ptnr2_label_alt_id |
|
_struct_conn.pdbx_ptnr2_PDB_ins_code |
|
_struct_conn.ptnr1_auth_asym_id |
|
_struct_conn.ptnr1_auth_comp_id |
|
_struct_conn.ptnr1_auth_seq_id |
|
_struct_conn.ptnr2_auth_asym_id |
|
_struct_conn.ptnr2_auth_comp_id |
|
_struct_conn.ptnr2_auth_seq_id |
|
_struct_conn.ptnr2_symmetry |
|
_struct_conn.pdbx_ptnr3_label_atom_id |
|
_struct_conn.pdbx_ptnr3_label_seq_id |
|
_struct_conn.pdbx_ptnr3_label_comp_id |
|
_struct_conn.pdbx_ptnr3_label_asym_id |
|
_struct_conn.pdbx_ptnr3_label_alt_id |
|
_struct_conn.pdbx_ptnr3_PDB_ins_code |
|
_struct_conn.details |
|
_struct_conn.pdbx_dist_value |
|
_struct_conn.pdbx_value_order |
|
_struct_conn.pdbx_role |
|
metalc1 metalc ? ? A HIS 94 NE2 ? ? ? 1_555 B HEM . FE ? ? A HIS 93 A HEM 200 1_555 ? ? ? ? ? ? ? 2.094 ? ? |
|
metalc2 metalc ? ? B HEM . FE ? ? ? 1_555 C NSM . O1 ? ? A HEM 200 A NSM 201 1_555 ? ? ? ? ? ? ? 2.773 ? ? |
|
metalc3 metalc ? ? B HEM . FE ? ? ? 1_555 C NSM . N ? ? A HEM 200 A NSM 201 1_555 ? ? ? ? ? ? ? 1.942 ? ? |
|
# |
|
_struct_conn_type.id metalc |
|
_struct_conn_type.criteria ? |
|
_struct_conn_type.reference ? |
|
# |
|
_atom_sites.entry_id 8F9H |
|
_atom_sites.Cartn_transf_matrix[1][1] ? |
|
_atom_sites.Cartn_transf_matrix[1][2] ? |
|
_atom_sites.Cartn_transf_matrix[1][3] ? |
|
_atom_sites.Cartn_transf_matrix[2][1] ? |
|
_atom_sites.Cartn_transf_matrix[2][2] ? |
|
_atom_sites.Cartn_transf_matrix[2][3] ? |
|
_atom_sites.Cartn_transf_matrix[3][1] ? |
|
_atom_sites.Cartn_transf_matrix[3][2] ? |
|
_atom_sites.Cartn_transf_matrix[3][3] ? |
|
_atom_sites.Cartn_transf_vector[1] ? |
|
_atom_sites.Cartn_transf_vector[2] ? |
|
_atom_sites.Cartn_transf_vector[3] ? |
|
_atom_sites.fract_transf_matrix[1][1] 0.028689 |
|
_atom_sites.fract_transf_matrix[1][2] 0.000000 |
|
_atom_sites.fract_transf_matrix[1][3] 0.008170 |
|
_atom_sites.fract_transf_matrix[2][1] 0.000000 |
|
_atom_sites.fract_transf_matrix[2][2] 0.034451 |
|
_atom_sites.fract_transf_matrix[2][3] 0.000000 |
|
_atom_sites.fract_transf_matrix[3][1] 0.000000 |
|
_atom_sites.fract_transf_matrix[3][2] 0.000000 |
|
_atom_sites.fract_transf_matrix[3][3] 0.016180 |
|
_atom_sites.fract_transf_vector[1] 0.000000 |
|
_atom_sites.fract_transf_vector[2] 0.000000 |
|
_atom_sites.fract_transf_vector[3] 0.000000 |
|
_atom_sites.solution_primary ? |
|
_atom_sites.solution_secondary ? |
|
_atom_sites.solution_hydrogens ? |
|
_atom_sites.special_details ? |
|
# |
|
loop_ |
|
_atom_type.symbol |
|
C |
|
FE |
|
N |
|
O |
|
S |
|
# |
|
loop_ |
|
_atom_site.group_PDB |
|
_atom_site.id |
|
_atom_site.type_symbol |
|
_atom_site.label_atom_id |
|
_atom_site.label_alt_id |
|
_atom_site.label_comp_id |
|
_atom_site.label_asym_id |
|
_atom_site.label_entity_id |
|
_atom_site.label_seq_id |
|
_atom_site.pdbx_PDB_ins_code |
|
_atom_site.Cartn_x |
|
_atom_site.Cartn_y |
|
_atom_site.Cartn_z |
|
_atom_site.occupancy |
|
_atom_site.B_iso_or_equiv |
|
_atom_site.pdbx_formal_charge |
|
_atom_site.auth_seq_id |
|
_atom_site.auth_comp_id |
|
_atom_site.auth_asym_id |
|
_atom_site.auth_atom_id |
|
_atom_site.pdbx_PDB_model_num |
|
ATOM 1 N N . VAL A 1 2 ? -84.581 -32.598 124.367 1.00 29.19 ? 1 VAL A N 1 |
|
ATOM 2 C CA . VAL A 1 2 ? -85.977 -32.388 124.936 1.00 25.53 ? 1 VAL A CA 1 |
|
ATOM 3 C C . VAL A 1 2 ? -86.312 -33.456 125.969 1.00 23.06 ? 1 VAL A C 1 |
|
ATOM 4 O O . VAL A 1 2 ? -86.300 -34.601 125.625 1.00 28.57 ? 1 VAL A O 1 |
|
ATOM 5 C CB . VAL A 1 2 ? -87.045 -32.509 123.785 1.00 30.97 ? 1 VAL A CB 1 |
|
ATOM 6 C CG1 . VAL A 1 2 ? -88.461 -32.456 124.271 1.00 32.92 ? 1 VAL A CG1 1 |
|
ATOM 7 C CG2 . VAL A 1 2 ? -86.820 -31.414 122.732 1.00 35.33 ? 1 VAL A CG2 1 |
|
ATOM 8 N N . LEU A 1 3 ? -86.705 -33.097 127.183 1.00 16.65 ? 2 LEU A N 1 |
|
ATOM 9 C CA . LEU A 1 3 ? -87.156 -34.080 128.156 1.00 14.81 ? 2 LEU A CA 1 |
|
ATOM 10 C C . LEU A 1 3 ? -88.643 -34.263 128.049 1.00 14.37 ? 2 LEU A C 1 |
|
ATOM 11 O O . LEU A 1 3 ? -89.353 -33.286 127.782 1.00 14.71 ? 2 LEU A O 1 |
|
ATOM 12 C CB . LEU A 1 3 ? -86.847 -33.614 129.574 1.00 13.97 ? 2 LEU A CB 1 |
|
ATOM 13 C CG . LEU A 1 3 ? -85.388 -33.787 130.031 1.00 15.00 ? 2 LEU A CG 1 |
|
ATOM 14 C CD1 . LEU A 1 3 ? -84.386 -32.877 129.354 1.00 15.28 ? 2 LEU A CD1 1 |
|
ATOM 15 C CD2 . LEU A 1 3 ? -85.258 -33.601 131.548 1.00 14.29 ? 2 LEU A CD2 1 |
|
ATOM 16 N N . SER A 1 4 ? -89.116 -35.449 128.349 1.00 15.34 ? 3 SER A N 1 |
|
ATOM 17 C CA . SER A 1 4 ? -90.543 -35.715 128.486 1.00 15.18 ? 3 SER A CA 1 |
|
ATOM 18 C C . SER A 1 4 ? -91.062 -35.088 129.753 1.00 15.28 ? 3 SER A C 1 |
|
ATOM 19 O O . SER A 1 4 ? -90.315 -34.778 130.653 1.00 13.65 ? 3 SER A O 1 |
|
ATOM 20 C CB . SER A 1 4 ? -90.806 -37.220 128.489 1.00 16.11 ? 3 SER A CB 1 |
|
ATOM 21 O OG . SER A 1 4 ? -90.354 -37.768 129.675 1.00 14.74 ? 3 SER A OG 1 |
|
ATOM 22 N N . GLU A 1 5 ? -92.373 -34.961 129.838 1.00 15.26 ? 4 GLU A N 1 |
|
ATOM 23 C CA . GLU A 1 5 ? -92.994 -34.576 131.088 1.00 15.61 ? 4 GLU A CA 1 |
|
ATOM 24 C C . GLU A 1 5 ? -92.646 -35.514 132.223 1.00 14.56 ? 4 GLU A C 1 |
|
ATOM 25 O O . GLU A 1 5 ? -92.406 -35.050 133.334 1.00 14.29 ? 4 GLU A O 1 |
|
ATOM 26 C CB . GLU A 1 5 ? -94.514 -34.462 130.973 1.00 16.52 ? 4 GLU A CB 1 |
|
ATOM 27 C CG . GLU A 1 5 ? -94.919 -33.263 130.119 1.00 18.17 ? 4 GLU A CG 1 |
|
ATOM 28 C CD . GLU A 1 5 ? -94.789 -31.888 130.790 1.00 17.94 ? 4 GLU A CD 1 |
|
ATOM 29 O OE1 . GLU A 1 5 ? -94.565 -31.812 132.019 1.00 16.88 ? 4 GLU A OE1 1 |
|
ATOM 30 O OE2 . GLU A 1 5 ? -94.883 -30.884 130.055 1.00 20.30 ? 4 GLU A OE2 1 |
|
ATOM 31 N N . GLY A 1 6 ? -92.649 -36.811 131.992 1.00 13.80 ? 5 GLY A N 1 |
|
ATOM 32 C CA . GLY A 1 6 ? -92.346 -37.726 133.082 1.00 15.14 ? 5 GLY A CA 1 |
|
ATOM 33 C C . GLY A 1 6 ? -90.909 -37.559 133.571 1.00 13.78 ? 5 GLY A C 1 |
|
ATOM 34 O O . GLY A 1 6 ? -90.666 -37.676 134.731 1.00 12.37 ? 5 GLY A O 1 |
|
ATOM 35 N N . GLU A 1 7 ? -90.009 -37.266 132.629 1.00 13.59 ? 6 GLU A N 1 |
|
ATOM 36 C CA . GLU A 1 7 ? -88.577 -36.995 132.960 1.00 13.23 ? 6 GLU A CA 1 |
|
ATOM 37 C C . GLU A 1 7 ? -88.430 -35.667 133.763 1.00 12.98 ? 6 GLU A C 1 |
|
ATOM 38 O O . GLU A 1 7 ? -87.749 -35.611 134.785 1.00 11.96 ? 6 GLU A O 1 |
|
ATOM 39 C CB . GLU A 1 7 ? -87.748 -36.957 131.681 1.00 14.61 ? 6 GLU A CB 1 |
|
ATOM 40 C CG . GLU A 1 7 ? -87.453 -38.314 131.072 1.00 15.58 ? 6 GLU A CG 1 |
|
ATOM 41 C CD . GLU A 1 7 ? -86.883 -38.292 129.690 1.00 16.08 ? 6 GLU A CD 1 |
|
ATOM 42 O OE1 . GLU A 1 7 ? -87.028 -37.317 128.941 1.00 16.92 ? 6 GLU A OE1 1 |
|
ATOM 43 O OE2 . GLU A 1 7 ? -86.256 -39.322 129.325 1.00 18.61 ? 6 GLU A OE2 1 |
|
ATOM 44 N N . TRP A 1 8 ? -89.136 -34.597 133.366 1.00 12.80 ? 7 TRP A N 1 |
|
ATOM 45 C CA . TRP A 1 8 ? -89.068 -33.375 134.151 1.00 12.11 ? 7 TRP A CA 1 |
|
ATOM 46 C C . TRP A 1 8 ? -89.649 -33.604 135.544 1.00 12.62 ? 7 TRP A C 1 |
|
ATOM 47 O O . TRP A 1 8 ? -89.129 -33.071 136.530 1.00 14.02 ? 7 TRP A O 1 |
|
ATOM 48 C CB . TRP A 1 8 ? -89.846 -32.217 133.488 1.00 13.03 ? 7 TRP A CB 1 |
|
ATOM 49 C CG . TRP A 1 8 ? -89.137 -31.591 132.404 1.00 13.44 ? 7 TRP A CG 1 |
|
ATOM 50 C CD1 . TRP A 1 8 ? -89.551 -31.493 131.088 1.00 14.35 ? 7 TRP A CD1 1 |
|
ATOM 51 C CD2 . TRP A 1 8 ? -87.865 -30.896 132.469 1.00 12.79 ? 7 TRP A CD2 1 |
|
ATOM 52 N NE1 . TRP A 1 8 ? -88.603 -30.791 130.346 1.00 14.06 ? 7 TRP A NE1 1 |
|
ATOM 53 C CE2 . TRP A 1 8 ? -87.574 -30.420 131.178 1.00 13.90 ? 7 TRP A CE2 1 |
|
ATOM 54 C CE3 . TRP A 1 8 ? -86.961 -30.631 133.488 1.00 13.52 ? 7 TRP A CE3 1 |
|
ATOM 55 C CZ2 . TRP A 1 8 ? -86.401 -29.746 130.885 1.00 13.97 ? 7 TRP A CZ2 1 |
|
ATOM 56 C CZ3 . TRP A 1 8 ? -85.809 -29.946 133.197 1.00 13.33 ? 7 TRP A CZ3 1 |
|
ATOM 57 C CH2 . TRP A 1 8 ? -85.535 -29.507 131.920 1.00 14.39 ? 7 TRP A CH2 1 |
|
ATOM 58 N N . GLN A 1 9 ? -90.729 -34.391 135.635 1.00 12.60 ? 8 GLN A N 1 |
|
ATOM 59 C CA . GLN A 1 9 ? -91.290 -34.703 136.962 1.00 14.23 ? 8 GLN A CA 1 |
|
ATOM 60 C C . GLN A 1 9 ? -90.254 -35.393 137.848 1.00 14.27 ? 8 GLN A C 1 |
|
ATOM 61 O O . GLN A 1 9 ? -90.121 -35.052 139.047 1.00 14.30 ? 8 GLN A O 1 |
|
ATOM 62 C CB . GLN A 1 9 ? -92.553 -35.520 136.890 1.00 15.71 ? 8 GLN A CB 1 |
|
ATOM 63 C CG . GLN A 1 9 ? -93.223 -35.663 138.265 1.00 16.12 ? 8 GLN A CG 1 |
|
ATOM 64 C CD . GLN A 1 9 ? -94.452 -36.514 138.188 1.00 18.82 ? 8 GLN A CD 1 |
|
ATOM 65 O OE1 . GLN A 1 9 ? -94.439 -37.534 137.477 1.00 20.67 ? 8 GLN A OE1 1 |
|
ATOM 66 N NE2 . GLN A 1 9 ? -95.518 -36.136 138.908 1.00 17.36 ? 8 GLN A NE2 1 |
|
ATOM 67 N N . LEU A 1 10 ? -89.514 -36.337 137.263 1.00 14.04 ? 9 LEU A N 1 |
|
ATOM 68 C CA . LEU A 1 10 ? -88.400 -36.960 137.977 1.00 14.21 ? 9 LEU A CA 1 |
|
ATOM 69 C C . LEU A 1 10 ? -87.324 -36.015 138.457 1.00 13.46 ? 9 LEU A C 1 |
|
ATOM 70 O O . LEU A 1 10 ? -86.901 -36.080 139.617 1.00 13.18 ? 9 LEU A O 1 |
|
ATOM 71 C CB . LEU A 1 10 ? -87.772 -38.067 137.128 1.00 14.00 ? 9 LEU A CB 1 |
|
ATOM 72 C CG . LEU A 1 10 ? -88.567 -39.364 137.030 1.00 14.33 ? 9 LEU A CG 1 |
|
ATOM 73 C CD1 . LEU A 1 10 ? -88.031 -40.232 135.915 1.00 13.66 ? 9 LEU A CD1 1 |
|
ATOM 74 C CD2 . LEU A 1 10 ? -88.669 -40.080 138.399 1.00 16.05 ? 9 LEU A CD2 1 |
|
ATOM 75 N N . VAL A 1 11 ? -86.906 -35.158 137.571 1.00 12.24 ? 10 VAL A N 1 |
|
ATOM 76 C CA . VAL A 1 11 ? -85.930 -34.118 137.887 1.00 13.01 ? 10 VAL A CA 1 |
|
ATOM 77 C C . VAL A 1 11 ? -86.399 -33.285 139.123 1.00 12.35 ? 10 VAL A C 1 |
|
ATOM 78 O O . VAL A 1 11 ? -85.661 -32.976 140.043 1.00 12.68 ? 10 VAL A O 1 |
|
ATOM 79 C CB . VAL A 1 11 ? -85.703 -33.175 136.649 1.00 12.54 ? 10 VAL A CB 1 |
|
ATOM 80 C CG1 . VAL A 1 11 ? -84.871 -31.933 137.005 1.00 13.97 ? 10 VAL A CG1 1 |
|
ATOM 81 C CG2 . VAL A 1 11 ? -85.044 -33.922 135.481 1.00 12.52 ? 10 VAL A CG2 1 |
|
ATOM 82 N N . LEU A 1 12 ? -87.633 -32.817 139.073 1.00 11.60 ? 11 LEU A N 1 |
|
ATOM 83 C CA . LEU A 1 12 ? -88.140 -31.980 140.110 1.00 11.47 ? 11 LEU A CA 1 |
|
ATOM 84 C C . LEU A 1 12 ? -88.418 -32.690 141.449 1.00 13.11 ? 11 LEU A C 1 |
|
ATOM 85 O O . LEU A 1 12 ? -88.320 -32.040 142.485 1.00 13.84 ? 11 LEU A O 1 |
|
ATOM 86 C CB . LEU A 1 12 ? -89.327 -31.163 139.592 1.00 12.13 ? 11 LEU A CB 1 |
|
ATOM 87 C CG . LEU A 1 12 ? -88.986 -30.207 138.409 1.00 12.87 ? 11 LEU A CG 1 |
|
ATOM 88 C CD1 . LEU A 1 12 ? -90.174 -29.411 137.949 1.00 13.88 ? 11 LEU A CD1 1 |
|
ATOM 89 C CD2 . LEU A 1 12 ? -87.871 -29.237 138.701 1.00 14.65 ? 11 LEU A CD2 1 |
|
ATOM 90 N N . HIS A 1 13 ? -88.719 -33.976 141.424 1.00 13.01 ? 12 HIS A N 1 |
|
ATOM 91 C CA . HIS A 1 13 ? -88.727 -34.811 142.602 1.00 14.56 ? 12 HIS A CA 1 |
|
ATOM 92 C C . HIS A 1 13 ? -87.367 -35.014 143.221 1.00 13.18 ? 12 HIS A C 1 |
|
ATOM 93 O O . HIS A 1 13 ? -87.249 -34.959 144.429 1.00 13.31 ? 12 HIS A O 1 |
|
ATOM 94 C CB . HIS A 1 13 ? -89.508 -36.074 142.367 1.00 15.94 ? 12 HIS A CB 1 |
|
ATOM 95 C CG . HIS A 1 13 ? -90.992 -35.805 142.294 1.00 21.43 ? 12 HIS A CG 1 |
|
ATOM 96 N ND1 . HIS A 1 13 ? -91.882 -36.642 141.648 1.00 25.38 ? 12 HIS A ND1 1 |
|
ATOM 97 C CD2 . HIS A 1 13 ? -91.735 -34.746 142.742 1.00 26.85 ? 12 HIS A CD2 1 |
|
ATOM 98 C CE1 . HIS A 1 13 ? -93.113 -36.129 141.730 1.00 26.74 ? 12 HIS A CE1 1 |
|
ATOM 99 N NE2 . HIS A 1 13 ? -93.052 -34.975 142.381 1.00 26.19 ? 12 HIS A NE2 1 |
|
ATOM 100 N N . VAL A 1 14 ? -86.349 -35.153 142.394 1.00 12.53 ? 13 VAL A N 1 |
|
ATOM 101 C CA . VAL A 1 14 ? -84.997 -35.160 142.871 1.00 12.94 ? 13 VAL A CA 1 |
|
ATOM 102 C C . VAL A 1 14 ? -84.694 -33.792 143.487 1.00 13.21 ? 13 VAL A C 1 |
|
ATOM 103 O O . VAL A 1 14 ? -84.091 -33.730 144.581 1.00 12.90 ? 13 VAL A O 1 |
|
ATOM 104 C CB . VAL A 1 14 ? -83.943 -35.467 141.765 1.00 14.40 ? 13 VAL A CB 1 |
|
ATOM 105 C CG1 . VAL A 1 14 ? -82.532 -35.413 142.330 1.00 15.79 ? 13 VAL A CG1 1 |
|
ATOM 106 C CG2 . VAL A 1 14 ? -84.109 -36.861 141.191 1.00 15.42 ? 13 VAL A CG2 1 |
|
ATOM 107 N N . TRP A 1 15 ? -85.083 -32.708 142.808 1.00 11.58 ? 14 TRP A N 1 |
|
ATOM 108 C CA . TRP A 1 15 ? -84.723 -31.394 143.292 1.00 13.40 ? 14 TRP A CA 1 |
|
ATOM 109 C C . TRP A 1 15 ? -85.361 -31.132 144.666 1.00 13.90 ? 14 TRP A C 1 |
|
ATOM 110 O O . TRP A 1 15 ? -84.792 -30.429 145.475 1.00 15.08 ? 14 TRP A O 1 |
|
ATOM 111 C CB . TRP A 1 15 ? -85.097 -30.265 142.356 1.00 15.86 ? 14 TRP A CB 1 |
|
ATOM 112 C CG . TRP A 1 15 ? -84.284 -29.062 142.657 1.00 15.63 ? 14 TRP A CG 1 |
|
ATOM 113 C CD1 . TRP A 1 15 ? -84.674 -27.928 143.236 1.00 19.20 ? 14 TRP A CD1 1 |
|
ATOM 114 C CD2 . TRP A 1 15 ? -82.898 -28.953 142.436 1.00 18.95 ? 14 TRP A CD2 1 |
|
ATOM 115 N NE1 . TRP A 1 15 ? -83.639 -27.082 143.374 1.00 19.03 ? 14 TRP A NE1 1 |
|
ATOM 116 C CE2 . TRP A 1 15 ? -82.511 -27.680 142.896 1.00 18.98 ? 14 TRP A CE2 1 |
|
ATOM 117 C CE3 . TRP A 1 15 ? -81.975 -29.776 141.872 1.00 19.53 ? 14 TRP A CE3 1 |
|
ATOM 118 C CZ2 . TRP A 1 15 ? -81.201 -27.226 142.819 1.00 20.90 ? 14 TRP A CZ2 1 |
|
ATOM 119 C CZ3 . TRP A 1 15 ? -80.645 -29.334 141.796 1.00 23.91 ? 14 TRP A CZ3 1 |
|
ATOM 120 C CH2 . TRP A 1 15 ? -80.297 -28.062 142.251 1.00 20.11 ? 14 TRP A CH2 1 |
|
ATOM 121 N N . ALA A 1 16 ? -86.517 -31.749 144.936 1.00 13.09 ? 15 ALA A N 1 |
|
ATOM 122 C CA . ALA A 1 16 ? -87.223 -31.595 146.246 1.00 13.77 ? 15 ALA A CA 1 |
|
ATOM 123 C C . ALA A 1 16 ? -86.339 -32.095 147.386 1.00 14.30 ? 15 ALA A C 1 |
|
ATOM 124 O O . ALA A 1 16 ? -86.364 -31.525 148.494 1.00 15.25 ? 15 ALA A O 1 |
|
ATOM 125 C CB . ALA A 1 16 ? -88.489 -32.386 146.290 1.00 15.09 ? 15 ALA A CB 1 |
|
ATOM 126 N N . LYS A 1 17 ? -85.512 -33.111 147.087 1.00 14.62 ? 16 LYS A N 1 |
|
ATOM 127 C CA . LYS A 1 17 ? -84.522 -33.590 148.063 1.00 14.89 ? 16 LYS A CA 1 |
|
ATOM 128 C C . LYS A 1 17 ? -83.483 -32.526 148.409 1.00 14.93 ? 16 LYS A C 1 |
|
ATOM 129 O O . LYS A 1 17 ? -83.147 -32.319 149.537 1.00 14.55 ? 16 LYS A O 1 |
|
ATOM 130 C CB . LYS A 1 17 ? -83.792 -34.803 147.555 1.00 16.01 ? 16 LYS A CB 1 |
|
ATOM 131 C CG . LYS A 1 17 ? -84.616 -36.051 147.372 1.00 17.25 ? 16 LYS A CG 1 |
|
ATOM 132 C CD . LYS A 1 17 ? -83.744 -37.185 146.966 1.00 19.32 ? 16 LYS A CD 1 |
|
ATOM 133 C CE . LYS A 1 17 ? -84.483 -38.257 146.257 1.00 23.86 ? 16 LYS A CE 1 |
|
ATOM 134 N NZ . LYS A 1 17 ? -85.454 -38.819 147.162 1.00 26.08 ? 16 LYS A NZ 1 |
|
ATOM 135 N N . VAL A 1 18 ? -82.958 -31.875 147.382 1.00 14.11 ? 17 VAL A N 1 |
|
ATOM 136 C CA . VAL A 1 18 ? -82.021 -30.808 147.552 1.00 15.04 ? 17 VAL A CA 1 |
|
ATOM 137 C C . VAL A 1 18 ? -82.623 -29.623 148.348 1.00 15.14 ? 17 VAL A C 1 |
|
ATOM 138 O O . VAL A 1 18 ? -81.978 -29.028 149.193 1.00 17.04 ? 17 VAL A O 1 |
|
ATOM 139 C CB . VAL A 1 18 ? -81.596 -30.315 146.126 1.00 15.83 ? 17 VAL A CB 1 |
|
ATOM 140 C CG1 . VAL A 1 18 ? -80.701 -29.092 146.193 1.00 15.46 ? 17 VAL A CG1 1 |
|
ATOM 141 C CG2 . VAL A 1 18 ? -80.901 -31.440 145.362 1.00 14.95 ? 17 VAL A CG2 1 |
|
ATOM 142 N N . GLU A 1 19 ? -83.882 -29.293 148.080 1.00 15.25 ? 18 GLU A N 1 |
|
ATOM 143 C CA . GLU A 1 19 ? -84.506 -28.163 148.709 1.00 16.13 ? 18 GLU A CA 1 |
|
ATOM 144 C C . GLU A 1 19 ? -84.660 -28.340 150.202 1.00 15.94 ? 18 GLU A C 1 |
|
ATOM 145 O O . GLU A 1 19 ? -84.821 -27.312 150.887 1.00 15.40 ? 18 GLU A O 1 |
|
ATOM 146 C CB . GLU A 1 19 ? -85.852 -27.874 148.100 1.00 18.18 ? 18 GLU A CB 1 |
|
ATOM 147 C CG . GLU A 1 19 ? -85.678 -27.304 146.718 1.00 19.74 ? 18 GLU A CG 1 |
|
ATOM 148 C CD . GLU A 1 19 ? -86.949 -26.806 146.094 1.00 23.54 ? 18 GLU A CD 1 |
|
ATOM 149 O OE1 . GLU A 1 19 ? -87.985 -27.289 146.481 1.00 29.99 ? 18 GLU A OE1 1 |
|
ATOM 150 O OE2 . GLU A 1 19 ? -86.900 -25.971 145.198 1.00 23.53 ? 18 GLU A OE2 1 |
|
ATOM 151 N N . ALA A 1 20 ? -84.660 -29.574 150.686 1.00 14.88 ? 19 ALA A N 1 |
|
ATOM 152 C CA . ALA A 1 20 ? -84.687 -29.821 152.141 1.00 16.51 ? 19 ALA A CA 1 |
|
ATOM 153 C C . ALA A 1 20 ? -83.395 -29.412 152.860 1.00 14.66 ? 19 ALA A C 1 |
|
ATOM 154 O O . ALA A 1 20 ? -83.402 -29.197 154.092 1.00 15.20 ? 19 ALA A O 1 |
|
ATOM 155 C CB . ALA A 1 20 ? -85.094 -31.233 152.478 1.00 17.12 ? 19 ALA A CB 1 |
|
ATOM 156 N N . ASP A 1 21 ? -82.293 -29.297 152.121 1.00 14.16 ? 20 ASP A N 1 |
|
ATOM 157 C CA . ASP A 1 21 ? -81.036 -28.796 152.731 1.00 14.24 ? 20 ASP A CA 1 |
|
ATOM 158 C C . ASP A 1 21 ? -80.199 -28.163 151.632 1.00 15.00 ? 20 ASP A C 1 |
|
ATOM 159 O O . ASP A 1 21 ? -79.225 -28.769 151.135 1.00 14.04 ? 20 ASP A O 1 |
|
ATOM 160 C CB . ASP A 1 21 ? -80.275 -29.921 153.462 1.00 13.70 ? 20 ASP A CB 1 |
|
ATOM 161 C CG . ASP A 1 21 ? -78.977 -29.432 154.149 1.00 14.63 ? 20 ASP A CG 1 |
|
ATOM 162 O OD1 . ASP A 1 21 ? -78.714 -28.183 154.197 1.00 14.78 ? 20 ASP A OD1 1 |
|
ATOM 163 O OD2 . ASP A 1 21 ? -78.238 -30.306 154.629 1.00 15.34 ? 20 ASP A OD2 1 |
|
ATOM 164 N N . VAL A 1 22 ? -80.582 -26.951 151.244 1.00 14.34 ? 21 VAL A N 1 |
|
ATOM 165 C CA . VAL A 1 22 ? -79.944 -26.340 150.065 1.00 13.86 ? 21 VAL A CA 1 |
|
ATOM 166 C C . VAL A 1 22 ? -78.449 -26.073 150.361 1.00 14.33 ? 21 VAL A C 1 |
|
ATOM 167 O O . VAL A 1 22 ? -77.562 -26.412 149.526 1.00 13.67 ? 21 VAL A O 1 |
|
ATOM 168 C CB . VAL A 1 22 ? -80.630 -25.032 149.637 1.00 15.99 ? 21 VAL A CB 1 |
|
ATOM 169 C CG1 . VAL A 1 22 ? -79.873 -24.355 148.493 1.00 16.25 ? 21 VAL A CG1 1 |
|
ATOM 170 C CG2 . VAL A 1 22 ? -82.065 -25.295 149.250 1.00 18.06 ? 21 VAL A CG2 1 |
|
ATOM 171 N N . ALA A 1 23 ? -78.184 -25.410 151.487 1.00 13.52 ? 22 ALA A N 1 |
|
ATOM 172 C CA . ALA A 1 23 ? -76.817 -25.044 151.864 1.00 14.64 ? 22 ALA A CA 1 |
|
ATOM 173 C C . ALA A 1 23 ? -75.909 -26.305 151.980 1.00 13.68 ? 22 ALA A C 1 |
|
ATOM 174 O O . ALA A 1 23 ? -74.767 -26.283 151.505 1.00 14.10 ? 22 ALA A O 1 |
|
ATOM 175 C CB . ALA A 1 23 ? -76.805 -24.187 153.127 1.00 15.37 ? 22 ALA A CB 1 |
|
ATOM 176 N N . GLY A 1 24 ? -76.418 -27.393 152.536 1.00 12.51 ? 23 GLY A N 1 |
|
ATOM 177 C CA . GLY A 1 24 ? -75.669 -28.669 152.690 1.00 12.49 ? 23 GLY A CA 1 |
|
ATOM 178 C C . GLY A 1 24 ? -75.333 -29.325 151.369 1.00 13.25 ? 23 GLY A C 1 |
|
ATOM 179 O O . GLY A 1 24 ? -74.199 -29.707 151.093 1.00 13.33 ? 23 GLY A O 1 |
|
ATOM 180 N N . HIS A 1 25 ? -76.335 -29.479 150.511 1.00 13.58 ? 24 HIS A N 1 |
|
ATOM 181 C CA . HIS A 1 25 ? -76.097 -30.000 149.180 1.00 13.06 ? 24 HIS A CA 1 |
|
ATOM 182 C C . HIS A 1 25 ? -75.174 -29.114 148.392 1.00 13.44 ? 24 HIS A C 1 |
|
ATOM 183 O O . HIS A 1 25 ? -74.251 -29.618 147.775 1.00 13.72 ? 24 HIS A O 1 |
|
ATOM 184 C CB . HIS A 1 25 ? -77.409 -30.133 148.399 1.00 12.55 ? 24 HIS A CB 1 |
|
ATOM 185 C CG . HIS A 1 25 ? -78.238 -31.310 148.756 1.00 13.53 ? 24 HIS A CG 1 |
|
ATOM 186 N ND1 . HIS A 1 25 ? -79.173 -31.265 149.770 1.00 13.81 ? 24 HIS A ND1 1 |
|
ATOM 187 C CD2 . HIS A 1 25 ? -78.324 -32.560 148.208 1.00 13.89 ? 24 HIS A CD2 1 |
|
ATOM 188 C CE1 . HIS A 1 25 ? -79.792 -32.435 149.835 1.00 14.15 ? 24 HIS A CE1 1 |
|
ATOM 189 N NE2 . HIS A 1 25 ? -79.299 -33.239 148.901 1.00 14.75 ? 24 HIS A NE2 1 |
|
ATOM 190 N N . GLY A 1 26 ? -75.345 -27.788 148.470 1.00 13.81 ? 25 GLY A N 1 |
|
ATOM 191 C CA . GLY A 1 26 ? -74.528 -26.888 147.670 1.00 13.68 ? 25 GLY A CA 1 |
|
ATOM 192 C C . GLY A 1 26 ? -73.062 -26.822 148.107 1.00 13.62 ? 25 GLY A C 1 |
|
ATOM 193 O O . GLY A 1 26 ? -72.130 -26.857 147.305 1.00 14.19 ? 25 GLY A O 1 |
|
ATOM 194 N N . GLN A 1 27 ? -72.863 -26.818 149.410 1.00 13.57 ? 26 GLN A N 1 |
|
ATOM 195 C CA . GLN A 1 27 ? -71.512 -26.914 149.943 1.00 14.75 ? 26 GLN A CA 1 |
|
ATOM 196 C C . GLN A 1 27 ? -70.864 -28.233 149.508 1.00 13.89 ? 26 GLN A C 1 |
|
ATOM 197 O O . GLN A 1 27 ? -69.712 -28.244 149.034 1.00 13.60 ? 26 GLN A O 1 |
|
ATOM 198 C CB . GLN A 1 27 ? -71.537 -26.835 151.433 1.00 16.25 ? 26 GLN A CB 1 |
|
ATOM 199 C CG . GLN A 1 27 ? -70.134 -26.500 151.952 1.00 17.86 ? 26 GLN A CG 1 |
|
ATOM 200 C CD . GLN A 1 27 ? -69.976 -26.595 153.456 1.00 17.76 ? 26 GLN A CD 1 |
|
ATOM 201 O OE1 . GLN A 1 27 ? -70.644 -27.425 154.118 1.00 18.37 ? 26 GLN A OE1 1 |
|
ATOM 202 N NE2 . GLN A 1 27 ? -69.147 -25.664 154.018 1.00 16.25 ? 26 GLN A NE2 1 |
|
ATOM 203 N N . ASP A 1 28 ? -71.621 -29.335 149.653 1.00 13.43 ? 27 ASP A N 1 |
|
ATOM 204 C CA . ASP A 1 28 ? -71.058 -30.669 149.270 1.00 14.24 ? 27 ASP A CA 1 |
|
ATOM 205 C C . ASP A 1 28 ? -70.656 -30.740 147.824 1.00 12.67 ? 27 ASP A C 1 |
|
ATOM 206 O O . ASP A 1 28 ? -69.572 -31.321 147.508 1.00 14.00 ? 27 ASP A O 1 |
|
ATOM 207 C CB . ASP A 1 28 ? -71.996 -31.865 149.579 1.00 14.77 ? 27 ASP A CB 1 |
|
ATOM 208 C CG . ASP A 1 28 ? -72.131 -32.171 151.070 1.00 16.32 ? 27 ASP A CG 1 |
|
ATOM 209 O OD1 . ASP A 1 28 ? -71.359 -31.622 151.873 1.00 16.38 ? 27 ASP A OD1 1 |
|
ATOM 210 O OD2 . ASP A 1 28 ? -73.017 -32.959 151.421 1.00 15.76 ? 27 ASP A OD2 1 |
|
ATOM 211 N N . ILE A 1 29 ? -71.516 -30.192 146.940 1.00 12.33 ? 28 ILE A N 1 |
|
ATOM 212 C CA . ILE A 1 29 ? -71.258 -30.114 145.498 1.00 13.11 ? 28 ILE A CA 1 |
|
ATOM 213 C C . ILE A 1 29 ? -69.983 -29.332 145.212 1.00 12.52 ? 28 ILE A C 1 |
|
ATOM 214 O O . ILE A 1 29 ? -69.091 -29.827 144.476 1.00 12.87 ? 28 ILE A O 1 |
|
ATOM 215 C CB . ILE A 1 29 ? -72.467 -29.562 144.742 1.00 13.96 ? 28 ILE A CB 1 |
|
ATOM 216 C CG1 . ILE A 1 29 ? -73.563 -30.608 144.776 1.00 14.87 ? 28 ILE A CG1 1 |
|
ATOM 217 C CG2 . ILE A 1 29 ? -72.141 -29.120 143.340 1.00 15.16 ? 28 ILE A CG2 1 |
|
ATOM 218 C CD1 . ILE A 1 29 ? -74.906 -30.031 144.462 1.00 15.67 ? 28 ILE A CD1 1 |
|
ATOM 219 N N . LEU A 1 30 ? -69.856 -28.139 145.798 1.00 12.15 ? 29 LEU A N 1 |
|
ATOM 220 C CA . LEU A 1 30 ? -68.645 -27.343 145.550 1.00 12.10 ? 29 LEU A CA 1 |
|
ATOM 221 C C . LEU A 1 30 ? -67.397 -27.998 146.104 1.00 12.22 ? 29 LEU A C 1 |
|
ATOM 222 O O . LEU A 1 30 ? -66.318 -27.956 145.435 1.00 12.87 ? 29 LEU A O 1 |
|
ATOM 223 C CB . LEU A 1 30 ? -68.813 -25.924 146.123 1.00 13.29 ? 29 LEU A CB 1 |
|
ATOM 224 C CG . LEU A 1 30 ? -69.896 -25.128 145.346 1.00 13.93 ? 29 LEU A CG 1 |
|
ATOM 225 C CD1 . LEU A 1 30 ? -70.142 -23.869 146.156 1.00 14.79 ? 29 LEU A CD1 1 |
|
ATOM 226 C CD2 . LEU A 1 30 ? -69.439 -24.811 143.938 1.00 15.13 ? 29 LEU A CD2 1 |
|
ATOM 227 N N . ILE A 1 31 ? -67.476 -28.567 147.302 1.00 13.09 ? 30 ILE A N 1 |
|
ATOM 228 C CA . ILE A 1 31 ? -66.307 -29.326 147.857 1.00 13.88 ? 30 ILE A CA 1 |
|
ATOM 229 C C . ILE A 1 31 ? -65.863 -30.475 146.903 1.00 14.05 ? 30 ILE A C 1 |
|
ATOM 230 O O . ILE A 1 31 ? -64.666 -30.649 146.599 1.00 14.25 ? 30 ILE A O 1 |
|
ATOM 231 C CB . ILE A 1 31 ? -66.567 -29.841 149.263 1.00 13.77 ? 30 ILE A CB 1 |
|
ATOM 232 C CG1 . ILE A 1 31 ? -66.687 -28.654 150.239 1.00 15.43 ? 30 ILE A CG1 1 |
|
ATOM 233 C CG2 . ILE A 1 31 ? -65.482 -30.839 149.713 1.00 15.49 ? 30 ILE A CG2 1 |
|
ATOM 234 C CD1 . ILE A 1 31 ? -67.230 -29.009 151.580 1.00 15.60 ? 30 ILE A CD1 1 |
|
ATOM 235 N N . ARG A 1 32 ? -66.827 -31.309 146.475 1.00 13.31 ? 31 ARG A N 1 |
|
ATOM 236 C CA . ARG A 1 32 ? -66.502 -32.382 145.527 1.00 14.32 ? 31 ARG A CA 1 |
|
ATOM 237 C C . ARG A 1 32 ? -65.874 -31.833 144.291 1.00 13.84 ? 31 ARG A C 1 |
|
ATOM 238 O O . ARG A 1 32 ? -64.887 -32.400 143.755 1.00 12.87 ? 31 ARG A O 1 |
|
ATOM 239 C CB . ARG A 1 32 ? -67.801 -33.163 145.204 1.00 15.10 ? 31 ARG A CB 1 |
|
ATOM 240 C CG . ARG A 1 32 ? -67.642 -34.286 144.181 1.00 17.82 ? 31 ARG A CG 1 |
|
ATOM 241 C CD . ARG A 1 32 ? -66.903 -35.475 144.747 1.00 19.80 ? 31 ARG A CD 1 |
|
ATOM 242 N NE . ARG A 1 32 ? -66.744 -36.423 143.640 1.00 23.23 ? 31 ARG A NE 1 |
|
ATOM 243 C CZ . ARG A 1 32 ? -66.158 -37.599 143.734 1.00 28.75 ? 31 ARG A CZ 1 |
|
ATOM 244 N NH1 . ARG A 1 32 ? -65.604 -37.991 144.876 1.00 32.71 ? 31 ARG A NH1 1 |
|
ATOM 245 N NH2 . ARG A 1 32 ? -66.123 -38.383 142.666 1.00 28.67 ? 31 ARG A NH2 1 |
|
ATOM 246 N N . LEU A 1 33 ? -66.414 -30.738 143.758 1.00 12.61 ? 32 LEU A N 1 |
|
ATOM 247 C CA . LEU A 1 33 ? -65.809 -30.137 142.580 1.00 12.41 ? 32 LEU A CA 1 |
|
ATOM 248 C C . LEU A 1 33 ? -64.357 -29.672 142.783 1.00 13.00 ? 32 LEU A C 1 |
|
ATOM 249 O O . LEU A 1 33 ? -63.463 -29.976 141.953 1.00 14.13 ? 32 LEU A O 1 |
|
ATOM 250 C CB . LEU A 1 33 ? -66.642 -28.904 142.170 1.00 12.22 ? 32 LEU A CB 1 |
|
ATOM 251 C CG . LEU A 1 33 ? -66.251 -28.068 140.952 1.00 12.78 ? 32 LEU A CG 1 |
|
ATOM 252 C CD1 . LEU A 1 33 ? -66.364 -28.825 139.656 1.00 13.85 ? 32 LEU A CD1 1 |
|
ATOM 253 C CD2 . LEU A 1 33 ? -67.047 -26.811 140.871 1.00 14.47 ? 32 LEU A CD2 1 |
|
ATOM 254 N N . PHE A 1 34 ? -64.157 -29.002 143.910 1.00 12.18 ? 33 PHE A N 1 |
|
ATOM 255 C CA . PHE A 1 34 ? -62.830 -28.493 144.227 1.00 13.73 ? 33 PHE A CA 1 |
|
ATOM 256 C C . PHE A 1 34 ? -61.835 -29.595 144.454 1.00 14.59 ? 33 PHE A C 1 |
|
ATOM 257 O O . PHE A 1 34 ? -60.663 -29.431 144.057 1.00 15.25 ? 33 PHE A O 1 |
|
ATOM 258 C CB . PHE A 1 34 ? -62.863 -27.564 145.483 1.00 14.82 ? 33 PHE A CB 1 |
|
ATOM 259 C CG . PHE A 1 34 ? -63.637 -26.315 145.317 1.00 14.90 ? 33 PHE A CG 1 |
|
ATOM 260 C CD1 . PHE A 1 34 ? -63.916 -25.777 144.055 1.00 15.52 ? 33 PHE A CD1 1 |
|
ATOM 261 C CD2 . PHE A 1 34 ? -64.124 -25.644 146.456 1.00 15.68 ? 33 PHE A CD2 1 |
|
ATOM 262 C CE1 . PHE A 1 34 ? -64.640 -24.571 143.935 1.00 15.31 ? 33 PHE A CE1 1 |
|
ATOM 263 C CE2 . PHE A 1 34 ? -64.836 -24.449 146.327 1.00 17.58 ? 33 PHE A CE2 1 |
|
ATOM 264 C CZ . PHE A 1 34 ? -65.118 -23.930 145.075 1.00 17.00 ? 33 PHE A CZ 1 |
|
ATOM 265 N N . LYS A 1 35 ? -62.254 -30.650 145.135 1.00 14.89 ? 34 LYS A N 1 |
|
ATOM 266 C CA . LYS A 1 35 ? -61.310 -31.750 145.462 1.00 17.73 ? 34 LYS A CA 1 |
|
ATOM 267 C C . LYS A 1 35 ? -61.035 -32.669 144.274 1.00 16.14 ? 34 LYS A C 1 |
|
ATOM 268 O O . LYS A 1 35 ? -59.887 -33.070 144.015 1.00 15.18 ? 34 LYS A O 1 |
|
ATOM 269 C CB . LYS A 1 35 ? -61.840 -32.551 146.640 1.00 19.91 ? 34 LYS A CB 1 |
|
ATOM 270 C CG . LYS A 1 35 ? -61.898 -31.853 148.015 1.00 25.99 ? 34 LYS A CG 1 |
|
ATOM 271 C CD . LYS A 1 35 ? -60.719 -30.961 148.377 1.00 32.98 ? 34 LYS A CD 1 |
|
ATOM 272 C CE . LYS A 1 35 ? -59.439 -31.669 148.779 1.00 37.12 ? 34 LYS A CE 1 |
|
ATOM 273 N NZ . LYS A 1 35 ? -58.424 -30.695 149.352 1.00 39.64 ? 34 LYS A NZ 1 |
|
ATOM 274 N N . SER A 1 36 ? -62.054 -33.004 143.527 1.00 14.06 ? 35 SER A N 1 |
|
ATOM 275 C CA . SER A 1 36 ? -61.902 -33.815 142.327 1.00 15.93 ? 35 SER A CA 1 |
|
ATOM 276 C C . SER A 1 36 ? -61.195 -33.115 141.237 1.00 14.61 ? 35 SER A C 1 |
|
ATOM 277 O O . SER A 1 36 ? -60.490 -33.764 140.481 1.00 14.89 ? 35 SER A O 1 |
|
ATOM 278 C CB . SER A 1 36 ? -63.208 -34.374 141.741 1.00 17.92 ? 35 SER A CB 1 |
|
ATOM 279 O OG . SER A 1 36 ? -63.926 -35.013 142.759 1.00 23.01 ? 35 SER A OG 1 |
|
ATOM 280 N N . HIS A 1 37 ? -61.330 -31.789 141.156 1.00 12.74 ? 36 HIS A N 1 |
|
ATOM 281 C CA . HIS A 1 37 ? -60.792 -30.961 140.018 1.00 13.12 ? 36 HIS A CA 1 |
|
ATOM 282 C C . HIS A 1 37 ? -60.215 -29.666 140.574 1.00 12.81 ? 36 HIS A C 1 |
|
ATOM 283 O O . HIS A 1 37 ? -60.813 -28.585 140.495 1.00 13.13 ? 36 HIS A O 1 |
|
ATOM 284 C CB . HIS A 1 37 ? -61.845 -30.659 138.948 1.00 14.11 ? 36 HIS A CB 1 |
|
ATOM 285 C CG . HIS A 1 37 ? -62.530 -31.869 138.458 1.00 16.91 ? 36 HIS A CG 1 |
|
ATOM 286 N ND1 . HIS A 1 37 ? -61.957 -32.722 137.552 1.00 18.51 ? 36 HIS A ND1 1 |
|
ATOM 287 C CD2 . HIS A 1 37 ? -63.702 -32.431 138.825 1.00 19.54 ? 36 HIS A CD2 1 |
|
ATOM 288 C CE1 . HIS A 1 37 ? -62.792 -33.707 137.294 1.00 19.69 ? 36 HIS A CE1 1 |
|
ATOM 289 N NE2 . HIS A 1 37 ? -63.845 -33.566 138.076 1.00 20.81 ? 36 HIS A NE2 1 |
|
ATOM 290 N N . PRO A 1 38 ? -59.006 -29.748 141.153 1.00 12.98 ? 37 PRO A N 1 |
|
ATOM 291 C CA . PRO A 1 38 ? -58.439 -28.563 141.823 1.00 13.12 ? 37 PRO A CA 1 |
|
ATOM 292 C C . PRO A 1 38 ? -58.310 -27.305 140.983 1.00 12.98 ? 37 PRO A C 1 |
|
ATOM 293 O O . PRO A 1 38 ? -58.187 -26.191 141.548 1.00 14.87 ? 37 PRO A O 1 |
|
ATOM 294 C CB . PRO A 1 38 ? -57.081 -29.070 142.298 1.00 12.91 ? 37 PRO A CB 1 |
|
ATOM 295 C CG . PRO A 1 38 ? -57.297 -30.542 142.471 1.00 14.34 ? 37 PRO A CG 1 |
|
ATOM 296 C CD . PRO A 1 38 ? -58.149 -30.953 141.333 1.00 12.79 ? 37 PRO A CD 1 |
|
ATOM 297 N N . GLU A 1 39 ? -58.307 -27.454 139.670 1.00 13.93 ? 38 GLU A N 1 |
|
ATOM 298 C CA . GLU A 1 39 ? -58.214 -26.278 138.794 1.00 13.59 ? 38 GLU A CA 1 |
|
ATOM 299 C C . GLU A 1 39 ? -59.459 -25.383 138.937 1.00 14.72 ? 38 GLU A C 1 |
|
ATOM 300 O O . GLU A 1 39 ? -59.419 -24.212 138.564 1.00 15.24 ? 38 GLU A O 1 |
|
ATOM 301 C CB . GLU A 1 39 ? -58.054 -26.727 137.340 1.00 14.99 ? 38 GLU A CB 1 |
|
ATOM 302 C CG . GLU A 1 39 ? -59.233 -27.482 136.709 1.00 14.11 ? 38 GLU A CG 1 |
|
ATOM 303 C CD . GLU A 1 39 ? -59.178 -29.023 136.884 1.00 14.04 ? 38 GLU A CD 1 |
|
ATOM 304 O OE1 . GLU A 1 39 ? -58.749 -29.499 137.949 1.00 13.54 ? 38 GLU A OE1 1 |
|
ATOM 305 O OE2 . GLU A 1 39 ? -59.558 -29.735 135.910 1.00 15.23 ? 38 GLU A OE2 1 |
|
ATOM 306 N N . THR A 1 40 ? -60.569 -25.971 139.376 1.00 14.15 ? 39 THR A N 1 |
|
ATOM 307 C CA . THR A 1 40 ? -61.856 -25.240 139.497 1.00 13.98 ? 39 THR A CA 1 |
|
ATOM 308 C C . THR A 1 40 ? -61.753 -24.211 140.654 1.00 15.06 ? 39 THR A C 1 |
|
ATOM 309 O O . THR A 1 40 ? -62.229 -23.107 140.542 1.00 14.97 ? 39 THR A O 1 |
|
ATOM 310 C CB . THR A 1 40 ? -63.054 -26.170 139.701 1.00 13.75 ? 39 THR A CB 1 |
|
ATOM 311 O OG1 . THR A 1 40 ? -62.930 -27.022 140.857 1.00 13.39 ? 39 THR A OG1 1 |
|
ATOM 312 C CG2 . THR A 1 40 ? -63.170 -27.033 138.470 1.00 14.15 ? 39 THR A CG2 1 |
|
ATOM 313 N N . LEU A 1 41 ? -61.128 -24.641 141.738 1.00 13.77 ? 40 LEU A N 1 |
|
ATOM 314 C CA . LEU A 1 41 ? -60.949 -23.793 142.896 1.00 15.23 ? 40 LEU A CA 1 |
|
ATOM 315 C C . LEU A 1 41 ? -60.174 -22.559 142.494 1.00 16.58 ? 40 LEU A C 1 |
|
ATOM 316 O O . LEU A 1 41 ? -60.481 -21.445 142.948 1.00 16.11 ? 40 LEU A O 1 |
|
ATOM 317 C CB . LEU A 1 41 ? -60.261 -24.557 144.049 1.00 15.92 ? 40 LEU A CB 1 |
|
ATOM 318 C CG . LEU A 1 41 ? -59.974 -23.780 145.350 1.00 15.04 ? 40 LEU A CG 1 |
|
ATOM 319 C CD1 . LEU A 1 41 ? -61.256 -23.216 145.933 1.00 15.18 ? 40 LEU A CD1 1 |
|
ATOM 320 C CD2 . LEU A 1 41 ? -59.251 -24.687 146.398 1.00 16.83 ? 40 LEU A CD2 1 |
|
ATOM 321 N N . GLU A 1 42 ? -59.185 -22.730 141.611 1.00 17.53 ? 41 GLU A N 1 |
|
ATOM 322 C CA . GLU A 1 42 ? -58.374 -21.575 141.187 1.00 20.55 ? 41 GLU A CA 1 |
|
ATOM 323 C C . GLU A 1 42 ? -59.154 -20.455 140.532 1.00 19.48 ? 41 GLU A C 1 |
|
ATOM 324 O O . GLU A 1 42 ? -58.737 -19.339 140.575 1.00 20.36 ? 41 GLU A O 1 |
|
ATOM 325 C CB . GLU A 1 42 ? -57.307 -21.984 140.192 1.00 23.90 ? 41 GLU A CB 1 |
|
ATOM 326 C CG . GLU A 1 42 ? -56.163 -22.570 140.831 1.00 29.01 ? 41 GLU A CG 1 |
|
ATOM 327 C CD . GLU A 1 42 ? -55.179 -21.523 141.327 1.00 29.49 ? 41 GLU A CD 1 |
|
ATOM 328 O OE1 . GLU A 1 42 ? -54.251 -21.032 140.567 1.00 34.55 ? 41 GLU A OE1 1 |
|
ATOM 329 O OE2 . GLU A 1 42 ? -55.338 -21.262 142.495 1.00 26.38 ? 41 GLU A OE2 1 |
|
ATOM 330 N N . LYS A 1 43 ? -60.322 -20.759 139.959 1.00 16.26 ? 42 LYS A N 1 |
|
ATOM 331 C CA . LYS A 1 43 ? -61.136 -19.750 139.386 1.00 16.49 ? 42 LYS A CA 1 |
|
ATOM 332 C C . LYS A 1 43 ? -61.844 -18.839 140.401 1.00 16.83 ? 42 LYS A C 1 |
|
ATOM 333 O O . LYS A 1 43 ? -62.386 -17.823 139.979 1.00 18.11 ? 42 LYS A O 1 |
|
ATOM 334 C CB . LYS A 1 43 ? -62.179 -20.380 138.447 1.00 19.06 ? 42 LYS A CB 1 |
|
ATOM 335 C CG . LYS A 1 43 ? -61.570 -21.068 137.221 1.00 19.80 ? 42 LYS A CG 1 |
|
ATOM 336 C CD . LYS A 1 43 ? -61.034 -20.052 136.238 1.00 20.00 ? 42 LYS A CD 1 |
|
ATOM 337 C CE . LYS A 1 43 ? -60.475 -20.790 135.058 1.00 22.68 ? 42 LYS A CE 1 |
|
ATOM 338 N NZ . LYS A 1 43 ? -60.075 -19.768 134.046 1.00 21.93 ? 42 LYS A NZ 1 |
|
ATOM 339 N N . PHE A 1 44 ? -61.837 -19.192 141.691 1.00 15.43 ? 43 PHE A N 1 |
|
ATOM 340 C CA . PHE A 1 44 ? -62.581 -18.470 142.754 1.00 15.56 ? 43 PHE A CA 1 |
|
ATOM 341 C C . PHE A 1 44 ? -61.566 -17.760 143.613 1.00 17.17 ? 43 PHE A C 1 |
|
ATOM 342 O O . PHE A 1 44 ? -61.016 -18.321 144.565 1.00 17.41 ? 43 PHE A O 1 |
|
ATOM 343 C CB . PHE A 1 44 ? -63.356 -19.410 143.658 1.00 15.08 ? 43 PHE A CB 1 |
|
ATOM 344 C CG . PHE A 1 44 ? -64.585 -20.022 143.053 1.00 14.27 ? 43 PHE A CG 1 |
|
ATOM 345 C CD1 . PHE A 1 44 ? -64.488 -21.244 142.346 1.00 15.65 ? 43 PHE A CD1 1 |
|
ATOM 346 C CD2 . PHE A 1 44 ? -65.839 -19.443 143.255 1.00 14.80 ? 43 PHE A CD2 1 |
|
ATOM 347 C CE1 . PHE A 1 44 ? -65.634 -21.853 141.822 1.00 14.21 ? 43 PHE A CE1 1 |
|
ATOM 348 C CE2 . PHE A 1 44 ? -67.006 -20.089 142.755 1.00 14.16 ? 43 PHE A CE2 1 |
|
ATOM 349 C CZ . PHE A 1 44 ? -66.853 -21.258 142.026 1.00 14.30 ? 43 PHE A CZ 1 |
|
ATOM 350 N N . ASP A 1 45 ? -61.294 -16.491 143.299 1.00 20.42 ? 44 ASP A N 1 |
|
ATOM 351 C CA . ASP A 1 45 ? -60.539 -15.674 144.238 1.00 21.80 ? 44 ASP A CA 1 |
|
ATOM 352 C C . ASP A 1 45 ? -61.182 -15.709 145.599 1.00 18.67 ? 44 ASP A C 1 |
|
ATOM 353 O O . ASP A 1 45 ? -60.523 -15.596 146.606 1.00 18.48 ? 44 ASP A O 1 |
|
ATOM 354 C CB . ASP A 1 45 ? -60.476 -14.182 143.791 1.00 25.72 ? 44 ASP A CB 1 |
|
ATOM 355 C CG . ASP A 1 45 ? -59.569 -13.969 142.595 1.00 31.27 ? 44 ASP A CG 1 |
|
ATOM 356 O OD1 . ASP A 1 45 ? -58.627 -14.727 142.385 1.00 36.08 ? 44 ASP A OD1 1 |
|
ATOM 357 O OD2 . ASP A 1 45 ? -59.807 -13.010 141.870 1.00 39.64 ? 44 ASP A OD2 1 |
|
ATOM 358 N N . ARG A 1 46 ? -62.502 -15.819 145.642 1.00 17.00 ? 45 ARG A N 1 |
|
ATOM 359 C CA . ARG A 1 46 ? -63.244 -15.901 146.896 1.00 16.26 ? 45 ARG A CA 1 |
|
ATOM 360 C C . ARG A 1 46 ? -62.928 -17.126 147.847 1.00 14.96 ? 45 ARG A C 1 |
|
ATOM 361 O O . ARG A 1 46 ? -63.190 -17.090 149.083 1.00 14.19 ? 45 ARG A O 1 |
|
ATOM 362 C CB . ARG A 1 46 ? -64.695 -15.893 146.480 1.00 15.64 ? 45 ARG A CB 1 |
|
ATOM 363 C CG . ARG A 1 46 ? -65.686 -15.865 147.611 1.00 16.19 ? 45 ARG A CG 1 |
|
ATOM 364 C CD . ARG A 1 46 ? -67.080 -15.665 147.013 1.00 16.47 ? 45 ARG A CD 1 |
|
ATOM 365 N NE . ARG A 1 46 ? -68.106 -15.989 148.003 1.00 16.64 ? 45 ARG A NE 1 |
|
ATOM 366 C CZ . ARG A 1 46 ? -69.417 -16.151 147.717 1.00 18.51 ? 45 ARG A CZ 1 |
|
ATOM 367 N NH1 . ARG A 1 46 ? -69.844 -16.014 146.464 1.00 16.89 ? 45 ARG A NH1 1 |
|
ATOM 368 N NH2 . ARG A 1 46 ? -70.292 -16.504 148.657 1.00 16.90 ? 45 ARG A NH2 1 |
|
ATOM 369 N N . PHE A 1 47 ? -62.391 -18.216 147.277 1.00 13.96 ? 46 PHE A N 1 |
|
ATOM 370 C CA . PHE A 1 47 ? -62.229 -19.493 147.948 1.00 14.83 ? 46 PHE A CA 1 |
|
ATOM 371 C C . PHE A 1 47 ? -60.825 -20.062 147.806 1.00 13.50 ? 46 PHE A C 1 |
|
ATOM 372 O O . PHE A 1 47 ? -60.491 -21.052 148.442 1.00 14.47 ? 46 PHE A O 1 |
|
ATOM 373 C CB . PHE A 1 47 ? -63.286 -20.529 147.432 1.00 14.52 ? 46 PHE A CB 1 |
|
ATOM 374 C CG . PHE A 1 47 ? -64.678 -20.126 147.765 1.00 14.66 ? 46 PHE A CG 1 |
|
ATOM 375 C CD1 . PHE A 1 47 ? -65.008 -19.868 149.090 1.00 15.20 ? 46 PHE A CD1 1 |
|
ATOM 376 C CD2 . PHE A 1 47 ? -65.648 -20.013 146.795 1.00 14.34 ? 46 PHE A CD2 1 |
|
ATOM 377 C CE1 . PHE A 1 47 ? -66.279 -19.438 149.450 1.00 14.27 ? 46 PHE A CE1 1 |
|
ATOM 378 C CE2 . PHE A 1 47 ? -66.906 -19.607 147.142 1.00 15.67 ? 46 PHE A CE2 1 |
|
ATOM 379 C CZ . PHE A 1 47 ? -67.229 -19.319 148.466 1.00 14.67 ? 46 PHE A CZ 1 |
|
ATOM 380 N N . LYS A 1 48 ? -59.973 -19.451 147.009 1.00 15.56 ? 47 LYS A N 1 |
|
ATOM 381 C CA . LYS A 1 48 ? -58.688 -20.114 146.782 1.00 18.03 ? 47 LYS A CA 1 |
|
ATOM 382 C C . LYS A 1 48 ? -57.738 -20.154 147.978 1.00 18.23 ? 47 LYS A C 1 |
|
ATOM 383 O O . LYS A 1 48 ? -56.794 -20.954 147.973 1.00 19.08 ? 47 LYS A O 1 |
|
ATOM 384 C CB . LYS A 1 48 ? -58.051 -19.607 145.469 1.00 22.40 ? 47 LYS A CB 1 |
|
ATOM 385 C CG . LYS A 1 48 ? -57.586 -18.210 145.508 1.00 26.68 ? 47 LYS A CG 1 |
|
ATOM 386 C CD . LYS A 1 48 ? -57.128 -17.840 144.113 1.00 29.93 ? 47 LYS A CD 1 |
|
ATOM 387 C CE . LYS A 1 48 ? -56.646 -16.418 144.128 1.00 34.13 ? 47 LYS A CE 1 |
|
ATOM 388 N NZ . LYS A 1 48 ? -56.164 -16.188 142.745 1.00 40.63 ? 47 LYS A NZ 1 |
|
ATOM 389 N N . HIS A 1 49 ? -58.043 -19.454 149.065 1.00 16.54 ? 48 HIS A N 1 |
|
ATOM 390 C CA . HIS A 1 49 ? -57.361 -19.675 150.360 1.00 18.66 ? 48 HIS A CA 1 |
|
ATOM 391 C C . HIS A 1 49 ? -57.654 -21.014 151.008 1.00 20.10 ? 48 HIS A C 1 |
|
ATOM 392 O O . HIS A 1 49 ? -56.968 -21.388 151.943 1.00 22.94 ? 48 HIS A O 1 |
|
ATOM 393 C CB . HIS A 1 49 ? -57.705 -18.616 151.400 1.00 19.59 ? 48 HIS A CB 1 |
|
ATOM 394 C CG . HIS A 1 49 ? -59.104 -18.696 151.907 1.00 18.35 ? 48 HIS A CG 1 |
|
ATOM 395 N ND1 . HIS A 1 49 ? -60.193 -18.463 151.096 1.00 16.78 ? 48 HIS A ND1 1 |
|
ATOM 396 C CD2 . HIS A 1 49 ? -59.599 -19.043 153.120 1.00 18.39 ? 48 HIS A CD2 1 |
|
ATOM 397 C CE1 . HIS A 1 49 ? -61.300 -18.632 151.802 1.00 20.20 ? 48 HIS A CE1 1 |
|
ATOM 398 N NE2 . HIS A 1 49 ? -60.966 -18.990 153.028 1.00 17.54 ? 48 HIS A NE2 1 |
|
ATOM 399 N N . LEU A 1 50 ? -58.676 -21.716 150.559 1.00 16.52 ? 49 LEU A N 1 |
|
ATOM 400 C CA . LEU A 1 50 ? -59.039 -22.927 151.231 1.00 18.86 ? 49 LEU A CA 1 |
|
ATOM 401 C C . LEU A 1 50 ? -58.112 -24.037 150.760 1.00 20.88 ? 49 LEU A C 1 |
|
ATOM 402 O O . LEU A 1 50 ? -58.046 -24.286 149.597 1.00 24.51 ? 49 LEU A O 1 |
|
ATOM 403 C CB . LEU A 1 50 ? -60.502 -23.319 150.939 1.00 18.85 ? 49 LEU A CB 1 |
|
ATOM 404 C CG . LEU A 1 50 ? -61.564 -22.362 151.527 1.00 19.53 ? 49 LEU A CG 1 |
|
ATOM 405 C CD1 . LEU A 1 50 ? -62.885 -22.638 150.810 1.00 19.53 ? 49 LEU A CD1 1 |
|
ATOM 406 C CD2 . LEU A 1 50 ? -61.740 -22.469 153.052 1.00 18.85 ? 49 LEU A CD2 1 |
|
ATOM 407 N N . LYS A 1 51 ? -57.401 -24.689 151.664 1.00 20.17 ? 50 LYS A N 1 |
|
ATOM 408 C CA . LYS A 1 51 ? -56.416 -25.701 151.231 1.00 23.04 ? 50 LYS A CA 1 |
|
ATOM 409 C C . LYS A 1 51 ? -56.955 -27.107 151.504 1.00 24.17 ? 50 LYS A C 1 |
|
ATOM 410 O O . LYS A 1 51 ? -56.991 -27.960 150.615 1.00 29.75 ? 50 LYS A O 1 |
|
ATOM 411 C CB . LYS A 1 51 ? -55.077 -25.386 151.898 1.00 26.62 ? 50 LYS A CB 1 |
|
ATOM 412 C CG . LYS A 1 51 ? -54.766 -23.900 151.557 1.00 36.58 ? 50 LYS A CG 1 |
|
ATOM 413 C CD . LYS A 1 51 ? -53.332 -23.409 151.380 1.00 46.49 ? 50 LYS A CD 1 |
|
ATOM 414 C CE . LYS A 1 51 ? -53.341 -21.976 150.798 1.00 48.77 ? 50 LYS A CE 1 |
|
ATOM 415 N NZ . LYS A 1 51 ? -52.686 -21.015 151.729 1.00 54.69 ? 50 LYS A NZ 1 |
|
ATOM 416 N N . THR A 1 52 ? -57.556 -27.292 152.637 1.00 18.08 ? 51 THR A N 1 |
|
ATOM 417 C CA . THR A 1 52 ? -57.963 -28.634 153.062 1.00 17.10 ? 51 THR A CA 1 |
|
ATOM 418 C C . THR A 1 52 ? -59.479 -28.733 153.017 1.00 15.48 ? 51 THR A C 1 |
|
ATOM 419 O O . THR A 1 52 ? -60.200 -27.724 153.084 1.00 14.36 ? 51 THR A O 1 |
|
ATOM 420 C CB . THR A 1 52 ? -57.578 -28.915 154.514 1.00 16.92 ? 51 THR A CB 1 |
|
ATOM 421 O OG1 . THR A 1 52 ? -58.358 -28.093 155.410 1.00 15.44 ? 51 THR A OG1 1 |
|
ATOM 422 C CG2 . THR A 1 52 ? -56.154 -28.627 154.721 1.00 16.26 ? 51 THR A CG2 1 |
|
ATOM 423 N N . GLU A 1 53 ? -59.949 -29.956 152.854 1.00 14.72 ? 52 GLU A N 1 |
|
ATOM 424 C CA . GLU A 1 53 ? -61.347 -30.225 152.947 1.00 16.12 ? 52 GLU A CA 1 |
|
ATOM 425 C C . GLU A 1 53 ? -61.977 -29.761 154.272 1.00 15.73 ? 52 GLU A C 1 |
|
ATOM 426 O O . GLU A 1 53 ? -63.119 -29.278 154.312 1.00 14.61 ? 52 GLU A O 1 |
|
ATOM 427 C CB . GLU A 1 53 ? -61.615 -31.704 152.674 1.00 19.62 ? 52 GLU A CB 1 |
|
ATOM 428 C CG . GLU A 1 53 ? -63.109 -31.994 152.569 1.00 20.11 ? 52 GLU A CG 1 |
|
ATOM 429 C CD . GLU A 1 53 ? -63.472 -33.397 152.104 1.00 22.79 ? 52 GLU A CD 1 |
|
ATOM 430 O OE1 . GLU A 1 53 ? -62.683 -34.058 151.414 1.00 21.89 ? 52 GLU A OE1 1 |
|
ATOM 431 O OE2 . GLU A 1 53 ? -64.622 -33.747 152.382 1.00 25.19 ? 52 GLU A OE2 1 |
|
ATOM 432 N N . ALA A 1 54 ? -61.251 -29.877 155.372 1.00 13.82 ? 53 ALA A N 1 |
|
ATOM 433 C CA . ALA A 1 54 ? -61.810 -29.404 156.618 1.00 13.45 ? 53 ALA A CA 1 |
|
ATOM 434 C C . ALA A 1 54 ? -62.083 -27.895 156.595 1.00 14.37 ? 53 ALA A C 1 |
|
ATOM 435 O O . ALA A 1 54 ? -63.118 -27.418 157.117 1.00 14.28 ? 53 ALA A O 1 |
|
ATOM 436 C CB . ALA A 1 54 ? -60.841 -29.752 157.734 1.00 13.94 ? 53 ALA A CB 1 |
|
ATOM 437 N N . GLU A 1 55 ? -61.168 -27.133 156.007 1.00 13.37 ? 54 GLU A N 1 |
|
ATOM 438 C CA . GLU A 1 55 ? -61.375 -25.690 155.868 1.00 15.12 ? 54 GLU A CA 1 |
|
ATOM 439 C C . GLU A 1 55 ? -62.608 -25.414 154.985 1.00 15.28 ? 54 GLU A C 1 |
|
ATOM 440 O O . GLU A 1 55 ? -63.387 -24.508 155.297 1.00 15.05 ? 54 GLU A O 1 |
|
ATOM 441 C CB . GLU A 1 55 ? -60.160 -24.995 155.278 1.00 16.47 ? 54 GLU A CB 1 |
|
ATOM 442 C CG . GLU A 1 55 ? -58.980 -24.986 156.230 1.00 19.28 ? 54 GLU A CG 1 |
|
ATOM 443 C CD . GLU A 1 55 ? -57.721 -24.437 155.640 1.00 22.38 ? 54 GLU A CD 1 |
|
ATOM 444 O OE1 . GLU A 1 55 ? -57.484 -24.552 154.419 1.00 23.16 ? 54 GLU A OE1 1 |
|
ATOM 445 O OE2 . GLU A 1 55 ? -56.890 -23.936 156.466 1.00 28.26 ? 54 GLU A OE2 1 |
|
ATOM 446 N N . MET A 1 56 ? -62.781 -26.205 153.928 1.00 13.84 ? 55 MET A N 1 |
|
ATOM 447 C CA . MET A 1 56 ? -63.916 -26.015 153.057 1.00 13.68 ? 55 MET A CA 1 |
|
ATOM 448 C C . MET A 1 56 ? -65.194 -26.285 153.834 1.00 13.99 ? 55 MET A C 1 |
|
ATOM 449 O O . MET A 1 56 ? -66.134 -25.539 153.721 1.00 14.01 ? 55 MET A O 1 |
|
ATOM 450 C CB . MET A 1 56 ? -63.847 -26.941 151.841 1.00 14.47 ? 55 MET A CB 1 |
|
ATOM 451 C CG . MET A 1 56 ? -62.627 -26.694 150.963 1.00 16.32 ? 55 MET A CG 1 |
|
ATOM 452 S SD . MET A 1 56 ? -62.526 -27.894 149.596 1.00 16.93 ? 55 MET A SD 1 |
|
ATOM 453 C CE . MET A 1 56 ? -61.074 -27.200 148.752 1.00 19.79 ? 55 MET A CE 1 |
|
ATOM 454 N N . LYS A 1 57 ? -65.229 -27.411 154.565 1.00 14.48 ? 56 LYS A N 1 |
|
ATOM 455 C CA . LYS A 1 57 ? -66.397 -27.771 155.339 1.00 16.13 ? 56 LYS A CA 1 |
|
ATOM 456 C C . LYS A 1 57 ? -66.753 -26.724 156.391 1.00 15.79 ? 56 LYS A C 1 |
|
ATOM 457 O O . LYS A 1 57 ? -67.935 -26.445 156.656 1.00 16.12 ? 56 LYS A O 1 |
|
ATOM 458 C CB . LYS A 1 57 ? -66.142 -29.149 155.941 1.00 19.58 ? 56 LYS A CB 1 |
|
ATOM 459 C CG . LYS A 1 57 ? -67.381 -29.860 156.429 1.00 27.92 ? 56 LYS A CG 1 |
|
ATOM 460 C CD . LYS A 1 57 ? -68.183 -30.469 155.288 1.00 30.99 ? 56 LYS A CD 1 |
|
ATOM 461 C CE . LYS A 1 57 ? -69.059 -31.629 155.823 1.00 36.63 ? 56 LYS A CE 1 |
|
ATOM 462 N NZ . LYS A 1 57 ? -70.394 -31.188 156.377 1.00 40.60 ? 56 LYS A NZ 1 |
|
ATOM 463 N N . ALA A 1 58 ? -65.764 -26.097 156.960 1.00 13.67 ? 57 ALA A N 1 |
|
ATOM 464 C CA . ALA A 1 58 ? -65.937 -25.084 157.955 1.00 15.98 ? 57 ALA A CA 1 |
|
ATOM 465 C C . ALA A 1 58 ? -66.236 -23.684 157.420 1.00 16.00 ? 57 ALA A C 1 |
|
ATOM 466 O O . ALA A 1 58 ? -66.496 -22.770 158.184 1.00 15.11 ? 57 ALA A O 1 |
|
ATOM 467 C CB . ALA A 1 58 ? -64.697 -25.072 158.823 1.00 19.20 ? 57 ALA A CB 1 |
|
ATOM 468 N N . SER A 1 59 ? -66.189 -23.516 156.102 1.00 13.56 ? 58 SER A N 1 |
|
ATOM 469 C CA . SER A 1 59 ? -66.382 -22.199 155.474 1.00 13.61 ? 58 SER A CA 1 |
|
ATOM 470 C C . SER A 1 59 ? -67.846 -21.844 155.368 1.00 13.58 ? 58 SER A C 1 |
|
ATOM 471 O O . SER A 1 59 ? -68.572 -22.408 154.557 1.00 13.26 ? 58 SER A O 1 |
|
ATOM 472 C CB . SER A 1 59 ? -65.732 -22.039 154.106 1.00 13.15 ? 58 SER A CB 1 |
|
ATOM 473 O OG . SER A 1 59 ? -66.140 -20.848 153.497 1.00 13.04 ? 58 SER A OG 1 |
|
ATOM 474 N N . GLU A 1 60 ? -68.273 -20.896 156.176 1.00 13.53 ? 59 GLU A N 1 |
|
ATOM 475 C CA . GLU A 1 60 ? -69.652 -20.464 156.096 1.00 13.85 ? 59 GLU A CA 1 |
|
ATOM 476 C C . GLU A 1 60 ? -69.948 -19.757 154.791 1.00 13.33 ? 59 GLU A C 1 |
|
ATOM 477 O O . GLU A 1 60 ? -71.096 -19.880 154.260 1.00 14.29 ? 59 GLU A O 1 |
|
ATOM 478 C CB . GLU A 1 60 ? -70.039 -19.620 157.294 1.00 16.56 ? 59 GLU A CB 1 |
|
ATOM 479 C CG . GLU A 1 60 ? -69.874 -20.369 158.634 1.00 16.39 ? 59 GLU A CG 1 |
|
ATOM 480 C CD . GLU A 1 60 ? -70.774 -21.590 158.762 1.00 18.63 ? 59 GLU A CD 1 |
|
ATOM 481 O OE1 . GLU A 1 60 ? -70.302 -22.472 159.476 1.00 28.16 ? 59 GLU A OE1 1 |
|
ATOM 482 O OE2 . GLU A 1 60 ? -71.915 -21.648 158.281 1.00 19.12 ? 59 GLU A OE2 1 |
|
ATOM 483 N N . ASP A 1 61 ? -68.972 -19.024 154.266 1.00 12.15 ? 60 ASP A N 1 |
|
ATOM 484 C CA . ASP A 1 61 ? -69.103 -18.378 152.984 1.00 13.63 ? 60 ASP A CA 1 |
|
ATOM 485 C C . ASP A 1 61 ? -69.260 -19.371 151.804 1.00 12.33 ? 60 ASP A C 1 |
|
ATOM 486 O O . ASP A 1 61 ? -69.940 -19.057 150.836 1.00 12.42 ? 60 ASP A O 1 |
|
ATOM 487 C CB . ASP A 1 61 ? -67.982 -17.371 152.723 1.00 14.47 ? 60 ASP A CB 1 |
|
ATOM 488 C CG . ASP A 1 61 ? -68.295 -16.447 151.590 1.00 15.02 ? 60 ASP A CG 1 |
|
ATOM 489 O OD1 . ASP A 1 61 ? -69.352 -15.821 151.672 1.00 14.79 ? 60 ASP A OD1 1 |
|
ATOM 490 O OD2 . ASP A 1 61 ? -67.462 -16.307 150.668 1.00 14.87 ? 60 ASP A OD2 1 |
|
ATOM 491 N N . LEU A 1 62 ? -68.607 -20.553 151.870 1.00 12.18 ? 61 LEU A N 1 |
|
ATOM 492 C CA . LEU A 1 62 ? -68.799 -21.597 150.878 1.00 12.76 ? 61 LEU A CA 1 |
|
ATOM 493 C C . LEU A 1 62 ? -70.231 -22.122 150.878 1.00 12.01 ? 61 LEU A C 1 |
|
ATOM 494 O O . LEU A 1 62 ? -70.814 -22.393 149.816 1.00 13.61 ? 61 LEU A O 1 |
|
ATOM 495 C CB . LEU A 1 62 ? -67.790 -22.741 151.064 1.00 13.29 ? 61 LEU A CB 1 |
|
ATOM 496 C CG . LEU A 1 62 ? -67.669 -23.756 149.903 1.00 13.79 ? 61 LEU A CG 1 |
|
ATOM 497 C CD1 . LEU A 1 62 ? -67.400 -23.078 148.543 1.00 15.05 ? 61 LEU A CD1 1 |
|
ATOM 498 C CD2 . LEU A 1 62 ? -66.574 -24.773 150.247 1.00 14.63 ? 61 LEU A CD2 1 |
|
ATOM 499 N N . LYS A 1 63 ? -70.815 -22.298 152.063 1.00 13.15 ? 62 LYS A N 1 |
|
ATOM 500 C CA . LYS A 1 63 ? -72.243 -22.598 152.182 1.00 14.22 ? 62 LYS A CA 1 |
|
ATOM 501 C C . LYS A 1 63 ? -73.096 -21.559 151.486 1.00 12.85 ? 62 LYS A C 1 |
|
ATOM 502 O O . LYS A 1 63 ? -74.015 -21.911 150.759 1.00 12.75 ? 62 LYS A O 1 |
|
ATOM 503 C CB . LYS A 1 63 ? -72.666 -22.740 153.668 1.00 17.59 ? 62 LYS A CB 1 |
|
ATOM 504 C CG . LYS A 1 63 ? -72.189 -24.048 154.277 1.00 22.76 ? 62 LYS A CG 1 |
|
ATOM 505 C CD . LYS A 1 63 ? -72.189 -24.128 155.843 1.00 27.38 ? 62 LYS A CD 1 |
|
ATOM 506 C CE . LYS A 1 63 ? -73.569 -23.911 156.497 1.00 32.37 ? 62 LYS A CE 1 |
|
ATOM 507 N NZ . LYS A 1 63 ? -73.564 -24.058 158.031 1.00 37.92 ? 62 LYS A NZ 1 |
|
ATOM 508 N N . LYS A 1 64 ? -72.784 -20.270 151.688 1.00 11.88 ? 63 LYS A N 1 |
|
ATOM 509 C CA . LYS A 1 64 ? -73.521 -19.203 151.061 1.00 12.83 ? 63 LYS A CA 1 |
|
ATOM 510 C C . LYS A 1 64 ? -73.420 -19.274 149.519 1.00 13.30 ? 63 LYS A C 1 |
|
ATOM 511 O O . LYS A 1 64 ? -74.437 -19.157 148.835 1.00 13.11 ? 63 LYS A O 1 |
|
ATOM 512 C CB . LYS A 1 64 ? -73.058 -17.884 151.654 1.00 13.03 ? 63 LYS A CB 1 |
|
ATOM 513 C CG . LYS A 1 64 ? -73.722 -16.650 151.091 1.00 14.08 ? 63 LYS A CG 1 |
|
ATOM 514 C CD . LYS A 1 64 ? -72.974 -15.420 151.582 1.00 15.37 ? 63 LYS A CD 1 |
|
ATOM 515 C CE . LYS A 1 64 ? -73.674 -14.173 151.074 1.00 16.23 ? 63 LYS A CE 1 |
|
ATOM 516 N NZ . LYS A 1 64 ? -72.865 -13.012 151.517 1.00 17.98 ? 63 LYS A NZ 1 |
|
ATOM 517 N N . ALA A 1 65 ? -72.214 -19.485 148.998 1.00 13.96 ? 64 ALA A N 1 |
|
ATOM 518 C CA . ALA A 1 65 ? -72.026 -19.718 147.569 1.00 12.89 ? 64 ALA A CA 1 |
|
ATOM 519 C C . ALA A 1 65 ? -72.849 -20.899 147.099 1.00 13.00 ? 64 ALA A C 1 |
|
ATOM 520 O O . ALA A 1 65 ? -73.426 -20.862 146.029 1.00 12.40 ? 64 ALA A O 1 |
|
ATOM 521 C CB . ALA A 1 65 ? -70.579 -19.943 147.259 1.00 13.27 ? 64 ALA A CB 1 |
|
ATOM 522 N N . GLY A 1 66 ? -72.920 -21.962 147.896 1.00 11.65 ? 65 GLY A N 1 |
|
ATOM 523 C CA . GLY A 1 66 ? -73.742 -23.140 147.571 1.00 12.47 ? 65 GLY A CA 1 |
|
ATOM 524 C C . GLY A 1 66 ? -75.224 -22.784 147.470 1.00 12.31 ? 65 GLY A C 1 |
|
ATOM 525 O O . GLY A 1 66 ? -75.917 -23.170 146.504 1.00 11.77 ? 65 GLY A O 1 |
|
ATOM 526 N N . VAL A 1 67 ? -75.716 -21.969 148.400 1.00 12.74 ? 66 VAL A N 1 |
|
ATOM 527 C CA . VAL A 1 67 ? -77.089 -21.452 148.262 1.00 12.83 ? 66 VAL A CA 1 |
|
ATOM 528 C C . VAL A 1 67 ? -77.294 -20.676 146.989 1.00 13.92 ? 66 VAL A C 1 |
|
ATOM 529 O O . VAL A 1 67 ? -78.322 -20.868 146.303 1.00 12.41 ? 66 VAL A O 1 |
|
ATOM 530 C CB . VAL A 1 67 ? -77.479 -20.617 149.469 1.00 14.27 ? 66 VAL A CB 1 |
|
ATOM 531 C CG1 . VAL A 1 67 ? -78.789 -19.921 149.269 1.00 14.44 ? 66 VAL A CG1 1 |
|
ATOM 532 C CG2 . VAL A 1 67 ? -77.530 -21.546 150.665 1.00 17.92 ? 66 VAL A CG2 1 |
|
ATOM 533 N N . THR A 1 68 ? -76.357 -19.761 146.678 1.00 12.70 ? 67 THR A N 1 |
|
ATOM 534 C CA . THR A 1 68 ? -76.479 -18.920 145.478 1.00 12.66 ? 67 THR A CA 1 |
|
ATOM 535 C C . THR A 1 68 ? -76.543 -19.829 144.215 1.00 12.59 ? 67 THR A C 1 |
|
ATOM 536 O O . THR A 1 68 ? -77.393 -19.621 143.360 1.00 13.96 ? 67 THR A O 1 |
|
ATOM 537 C CB . THR A 1 68 ? -75.357 -17.876 145.401 1.00 13.55 ? 67 THR A CB 1 |
|
ATOM 538 O OG1 . THR A 1 68 ? -75.442 -17.015 146.547 1.00 13.26 ? 67 THR A OG1 1 |
|
ATOM 539 C CG2 . THR A 1 68 ? -75.417 -17.090 144.107 1.00 14.57 ? 67 THR A CG2 1 |
|
ATOM 540 N N . VAL A 1 69 ? -75.651 -20.810 144.127 1.00 12.84 ? 68 VAL A N 1 |
|
ATOM 541 C CA . VAL A 1 69 ? -75.602 -21.662 142.937 1.00 13.61 ? 68 VAL A CA 1 |
|
ATOM 542 C C . VAL A 1 69 ? -76.868 -22.452 142.792 1.00 12.66 ? 68 VAL A C 1 |
|
ATOM 543 O O . VAL A 1 69 ? -77.446 -22.493 141.708 1.00 12.33 ? 68 VAL A O 1 |
|
ATOM 544 C CB . VAL A 1 69 ? -74.374 -22.617 142.931 1.00 15.14 ? 68 VAL A CB 1 |
|
ATOM 545 C CG1 . VAL A 1 69 ? -74.453 -23.513 141.707 1.00 16.77 ? 68 VAL A CG1 1 |
|
ATOM 546 C CG2 . VAL A 1 69 ? -73.141 -21.764 142.789 1.00 17.36 ? 68 VAL A CG2 1 |
|
ATOM 547 N N . LEU A 1 70 ? -77.310 -23.082 143.875 1.00 12.47 ? 69 LEU A N 1 |
|
ATOM 548 C CA . LEU A 1 70 ? -78.456 -23.992 143.755 1.00 12.70 ? 69 LEU A CA 1 |
|
ATOM 549 C C . LEU A 1 70 ? -79.752 -23.268 143.637 1.00 14.09 ? 69 LEU A C 1 |
|
ATOM 550 O O . LEU A 1 70 ? -80.680 -23.826 143.056 1.00 13.56 ? 69 LEU A O 1 |
|
ATOM 551 C CB . LEU A 1 70 ? -78.507 -24.960 144.887 1.00 13.27 ? 69 LEU A CB 1 |
|
ATOM 552 C CG . LEU A 1 70 ? -77.290 -25.919 144.939 1.00 13.63 ? 69 LEU A CG 1 |
|
ATOM 553 C CD1 . LEU A 1 70 ? -77.516 -27.001 145.982 1.00 14.06 ? 69 LEU A CD1 1 |
|
ATOM 554 C CD2 . LEU A 1 70 ? -76.823 -26.578 143.627 1.00 14.86 ? 69 LEU A CD2 1 |
|
ATOM 555 N N . THR A 1 71 ? -79.819 -22.050 144.202 1.00 14.29 ? 70 THR A N 1 |
|
ATOM 556 C CA . THR A 1 71 ? -81.001 -21.173 143.998 1.00 15.49 ? 70 THR A CA 1 |
|
ATOM 557 C C . THR A 1 71 ? -81.189 -20.909 142.507 1.00 13.79 ? 70 THR A C 1 |
|
ATOM 558 O O . THR A 1 71 ? -82.317 -20.990 141.973 1.00 14.25 ? 70 THR A O 1 |
|
ATOM 559 C CB . THR A 1 71 ? -80.891 -19.856 144.796 1.00 15.09 ? 70 THR A CB 1 |
|
ATOM 560 O OG1 . THR A 1 71 ? -80.853 -20.203 146.177 1.00 16.07 ? 70 THR A OG1 1 |
|
ATOM 561 C CG2 . THR A 1 71 ? -82.118 -18.951 144.554 1.00 17.53 ? 70 THR A CG2 1 |
|
ATOM 562 N N . ALA A 1 72 ? -80.089 -20.651 141.805 1.00 13.11 ? 71 ALA A N 1 |
|
ATOM 563 C CA . ALA A 1 72 ? -80.153 -20.312 140.369 1.00 12.44 ? 71 ALA A CA 1 |
|
ATOM 564 C C . ALA A 1 72 ? -80.480 -21.592 139.596 1.00 13.37 ? 71 ALA A C 1 |
|
ATOM 565 O O . ALA A 1 72 ? -81.411 -21.608 138.770 1.00 12.38 ? 71 ALA A O 1 |
|
ATOM 566 C CB . ALA A 1 72 ? -78.843 -19.751 139.881 1.00 13.86 ? 71 ALA A CB 1 |
|
ATOM 567 N N . LEU A 1 73 ? -79.833 -22.705 139.944 1.00 12.18 ? 72 LEU A N 1 |
|
ATOM 568 C CA . LEU A 1 73 ? -80.058 -23.943 139.170 1.00 13.10 ? 72 LEU A CA 1 |
|
ATOM 569 C C . LEU A 1 73 ? -81.490 -24.494 139.399 1.00 12.82 ? 72 LEU A C 1 |
|
ATOM 570 O O . LEU A 1 73 ? -82.204 -24.874 138.443 1.00 12.99 ? 72 LEU A O 1 |
|
ATOM 571 C CB . LEU A 1 73 ? -79.043 -25.001 139.536 1.00 12.43 ? 72 LEU A CB 1 |
|
ATOM 572 C CG . LEU A 1 73 ? -79.153 -26.345 138.787 1.00 13.60 ? 72 LEU A CG 1 |
|
ATOM 573 C CD1 . LEU A 1 73 ? -78.975 -26.098 137.281 1.00 14.45 ? 72 LEU A CD1 1 |
|
ATOM 574 C CD2 . LEU A 1 73 ? -78.031 -27.243 139.285 1.00 13.73 ? 72 LEU A CD2 1 |
|
ATOM 575 N N . GLY A 1 74 ? -81.977 -24.384 140.632 1.00 12.54 ? 73 GLY A N 1 |
|
ATOM 576 C CA . GLY A 1 74 ? -83.332 -24.786 140.948 1.00 13.37 ? 73 GLY A CA 1 |
|
ATOM 577 C C . GLY A 1 74 ? -84.374 -24.047 140.154 1.00 14.21 ? 73 GLY A C 1 |
|
ATOM 578 O O . GLY A 1 74 ? -85.285 -24.675 139.603 1.00 13.24 ? 73 GLY A O 1 |
|
ATOM 579 N N . ALA A 1 75 ? -84.175 -22.751 139.993 1.00 13.30 ? 74 ALA A N 1 |
|
ATOM 580 C CA . ALA A 1 75 ? -85.143 -21.950 139.269 1.00 14.72 ? 74 ALA A CA 1 |
|
ATOM 581 C C . ALA A 1 75 ? -85.107 -22.366 137.805 1.00 13.18 ? 74 ALA A C 1 |
|
ATOM 582 O O . ALA A 1 75 ? -86.175 -22.457 137.149 1.00 13.26 ? 74 ALA A O 1 |
|
ATOM 583 C CB . ALA A 1 75 ? -84.812 -20.480 139.385 1.00 16.34 ? 74 ALA A CB 1 |
|
ATOM 584 N N . ILE A 1 76 ? -83.891 -22.572 137.294 1.00 13.51 ? 75 ILE A N 1 |
|
ATOM 585 C CA . ILE A 1 76 ? -83.683 -22.993 135.934 1.00 12.47 ? 75 ILE A CA 1 |
|
ATOM 586 C C . ILE A 1 76 ? -84.396 -24.306 135.661 1.00 13.11 ? 75 ILE A C 1 |
|
ATOM 587 O O . ILE A 1 76 ? -85.166 -24.392 134.689 1.00 13.47 ? 75 ILE A O 1 |
|
ATOM 588 C CB . ILE A 1 76 ? -82.205 -23.005 135.543 1.00 13.23 ? 75 ILE A CB 1 |
|
ATOM 589 C CG1 . ILE A 1 76 ? -81.661 -21.577 135.398 1.00 13.86 ? 75 ILE A CG1 1 |
|
ATOM 590 C CG2 . ILE A 1 76 ? -81.972 -23.837 134.280 1.00 14.22 ? 75 ILE A CG2 1 |
|
ATOM 591 C CD1 . ILE A 1 76 ? -80.168 -21.546 135.451 1.00 14.86 ? 75 ILE A CD1 1 |
|
ATOM 592 N N . LEU A 1 77 ? -84.194 -25.324 136.507 1.00 11.70 ? 76 LEU A N 1 |
|
ATOM 593 C CA . LEU A 1 77 ? -84.815 -26.621 136.300 1.00 13.05 ? 76 LEU A CA 1 |
|
ATOM 594 C C . LEU A 1 77 ? -86.360 -26.517 136.285 1.00 14.21 ? 76 LEU A C 1 |
|
ATOM 595 O O . LEU A 1 77 ? -87.025 -27.177 135.472 1.00 14.06 ? 76 LEU A O 1 |
|
ATOM 596 C CB . LEU A 1 77 ? -84.354 -27.581 137.389 1.00 13.74 ? 76 LEU A CB 1 |
|
ATOM 597 C CG . LEU A 1 77 ? -82.886 -27.936 137.290 1.00 14.33 ? 76 LEU A CG 1 |
|
ATOM 598 C CD1 . LEU A 1 77 ? -82.474 -28.873 138.419 1.00 14.31 ? 76 LEU A CD1 1 |
|
ATOM 599 C CD2 . LEU A 1 77 ? -82.556 -28.548 135.963 1.00 13.69 ? 76 LEU A CD2 1 |
|
ATOM 600 N N . LYS A 1 78 ? -86.907 -25.667 137.173 1.00 14.28 ? 77 LYS A N 1 |
|
ATOM 601 C CA . LYS A 1 78 ? -88.349 -25.507 137.252 1.00 14.13 ? 77 LYS A CA 1 |
|
ATOM 602 C C . LYS A 1 78 ? -88.943 -24.847 136.005 1.00 14.01 ? 77 LYS A C 1 |
|
ATOM 603 O O . LYS A 1 78 ? -90.150 -24.940 135.803 1.00 13.22 ? 77 LYS A O 1 |
|
ATOM 604 C CB . LYS A 1 78 ? -88.758 -24.823 138.563 1.00 14.60 ? 77 LYS A CB 1 |
|
ATOM 605 C CG . LYS A 1 78 ? -88.377 -25.709 139.779 1.00 17.03 ? 77 LYS A CG 1 |
|
ATOM 606 C CD . LYS A 1 78 ? -88.623 -25.007 141.060 1.00 19.39 ? 77 LYS A CD 1 |
|
ATOM 607 C CE . LYS A 1 78 ? -88.279 -25.951 142.223 1.00 20.00 ? 77 LYS A CE 1 |
|
ATOM 608 N NZ . LYS A 1 78 ? -88.474 -25.157 143.423 1.00 22.58 ? 77 LYS A NZ 1 |
|
ATOM 609 N N . LYS A 1 79 ? -88.108 -24.252 135.143 1.00 14.81 ? 78 LYS A N 1 |
|
ATOM 610 C CA . LYS A 1 79 ? -88.542 -23.739 133.841 1.00 14.96 ? 78 LYS A CA 1 |
|
ATOM 611 C C . LYS A 1 79 ? -88.692 -24.825 132.855 1.00 14.66 ? 78 LYS A C 1 |
|
ATOM 612 O O . LYS A 1 79 ? -89.221 -24.566 131.750 1.00 15.82 ? 78 LYS A O 1 |
|
ATOM 613 C CB . LYS A 1 79 ? -87.609 -22.633 133.242 1.00 16.09 ? 78 LYS A CB 1 |
|
ATOM 614 C CG . LYS A 1 79 ? -87.497 -21.377 134.073 1.00 19.52 ? 78 LYS A CG 1 |
|
ATOM 615 C CD . LYS A 1 79 ? -88.857 -20.836 134.412 1.00 24.76 ? 78 LYS A CD 1 |
|
ATOM 616 C CE . LYS A 1 79 ? -89.671 -20.447 133.241 1.00 31.47 ? 78 LYS A CE 1 |
|
ATOM 617 N NZ . LYS A 1 79 ? -88.916 -19.366 132.555 1.00 40.34 ? 78 LYS A NZ 1 |
|
ATOM 618 N N . LYS A 1 80 ? -88.208 -26.034 133.211 1.00 13.89 ? 79 LYS A N 1 |
|
ATOM 619 C CA . LYS A 1 80 ? -88.365 -27.182 132.316 1.00 14.02 ? 79 LYS A CA 1 |
|
ATOM 620 C C . LYS A 1 80 ? -88.005 -26.912 130.866 1.00 15.11 ? 79 LYS A C 1 |
|
ATOM 621 O O . LYS A 1 80 ? -88.742 -27.300 129.942 1.00 13.08 ? 79 LYS A O 1 |
|
ATOM 622 C CB . LYS A 1 80 ? -89.807 -27.744 132.400 1.00 14.10 ? 79 LYS A CB 1 |
|
ATOM 623 C CG . LYS A 1 80 ? -90.214 -28.154 133.802 1.00 15.37 ? 79 LYS A CG 1 |
|
ATOM 624 C CD . LYS A 1 80 ? -91.681 -28.411 133.999 1.00 15.63 ? 79 LYS A CD 1 |
|
ATOM 625 C CE . LYS A 1 80 ? -92.255 -29.534 133.158 1.00 16.38 ? 79 LYS A CE 1 |
|
ATOM 626 N NZ . LYS A 1 80 ? -93.777 -29.510 133.147 1.00 15.60 ? 79 LYS A NZ 1 |
|
ATOM 627 N N . GLY A 1 81 ? -86.802 -26.376 130.709 1.00 13.49 ? 80 GLY A N 1 |
|
ATOM 628 C CA . GLY A 1 81 ? -86.220 -26.056 129.427 1.00 14.48 ? 80 GLY A CA 1 |
|
ATOM 629 C C . GLY A 1 81 ? -86.516 -24.712 128.855 1.00 13.42 ? 80 GLY A C 1 |
|
ATOM 630 O O . GLY A 1 81 ? -85.802 -24.295 127.900 1.00 14.17 ? 80 GLY A O 1 |
|
ATOM 631 N N . HIS A 1 82 ? -87.511 -24.010 129.393 1.00 15.62 ? 81 HIS A N 1 |
|
ATOM 632 C CA . HIS A 1 82 ? -87.831 -22.695 128.910 1.00 17.18 ? 81 HIS A CA 1 |
|
ATOM 633 C C . HIS A 1 82 ? -87.048 -21.615 129.707 1.00 16.26 ? 81 HIS A C 1 |
|
ATOM 634 O O . HIS A 1 82 ? -87.610 -20.791 130.383 1.00 16.77 ? 81 HIS A O 1 |
|
ATOM 635 C CB . HIS A 1 82 ? -89.286 -22.501 129.033 1.00 21.29 ? 81 HIS A CB 1 |
|
ATOM 636 C CG . HIS A 1 82 ? -90.080 -23.391 128.157 1.00 24.54 ? 81 HIS A CG 1 |
|
ATOM 637 N ND1 . HIS A 1 82 ? -90.673 -24.553 128.606 1.00 24.76 ? 81 HIS A ND1 1 |
|
ATOM 638 C CD2 . HIS A 1 82 ? -90.413 -23.268 126.854 1.00 26.02 ? 81 HIS A CD2 1 |
|
ATOM 639 C CE1 . HIS A 1 82 ? -91.319 -25.119 127.607 1.00 23.32 ? 81 HIS A CE1 1 |
|
ATOM 640 N NE2 . HIS A 1 82 ? -91.199 -24.352 126.546 1.00 30.23 ? 81 HIS A NE2 1 |
|
ATOM 641 N N . HIS A 1 83 ? -85.736 -21.680 129.652 1.00 14.53 ? 82 HIS A N 1 |
|
ATOM 642 C CA . HIS A 1 83 ? -84.899 -20.978 130.609 1.00 14.43 ? 82 HIS A CA 1 |
|
ATOM 643 C C . HIS A 1 83 ? -83.962 -19.982 129.909 1.00 15.31 ? 82 HIS A C 1 |
|
ATOM 644 O O . HIS A 1 83 ? -82.933 -19.610 130.458 1.00 15.56 ? 82 HIS A O 1 |
|
ATOM 645 C CB . HIS A 1 83 ? -84.048 -21.990 131.403 1.00 14.40 ? 82 HIS A CB 1 |
|
ATOM 646 C CG . HIS A 1 83 ? -83.340 -22.990 130.549 1.00 14.63 ? 82 HIS A CG 1 |
|
ATOM 647 N ND1 . HIS A 1 83 ? -83.163 -24.299 130.951 1.00 14.33 ? 82 HIS A ND1 1 |
|
ATOM 648 C CD2 . HIS A 1 83 ? -82.746 -22.874 129.334 1.00 14.97 ? 82 HIS A CD2 1 |
|
ATOM 649 C CE1 . HIS A 1 83 ? -82.545 -24.957 129.981 1.00 15.11 ? 82 HIS A CE1 1 |
|
ATOM 650 N NE2 . HIS A 1 83 ? -82.264 -24.117 128.992 1.00 14.42 ? 82 HIS A NE2 1 |
|
ATOM 651 N N . GLU A 1 84 ? -84.315 -19.515 128.712 1.00 16.11 ? 83 GLU A N 1 |
|
ATOM 652 C CA . GLU A 1 84 ? -83.445 -18.606 127.942 1.00 17.19 ? 83 GLU A CA 1 |
|
ATOM 653 C C . GLU A 1 84 ? -83.072 -17.347 128.727 1.00 16.92 ? 83 GLU A C 1 |
|
ATOM 654 O O . GLU A 1 84 ? -81.886 -16.963 128.789 1.00 16.74 ? 83 GLU A O 1 |
|
ATOM 655 C CB . GLU A 1 84 ? -84.231 -18.171 126.708 1.00 21.53 ? 83 GLU A CB 1 |
|
ATOM 656 C CG . GLU A 1 84 ? -84.651 -19.371 125.823 1.00 33.00 ? 83 GLU A CG 1 |
|
ATOM 657 C CD . GLU A 1 84 ? -85.936 -20.254 126.192 1.00 34.11 ? 83 GLU A CD 1 |
|
ATOM 658 O OE1 . GLU A 1 84 ? -86.889 -19.910 127.003 1.00 29.91 ? 83 GLU A OE1 1 |
|
ATOM 659 O OE2 . GLU A 1 84 ? -86.000 -21.357 125.557 1.00 44.95 ? 83 GLU A OE2 1 |
|
ATOM 660 N N . ALA A 1 85 ? -84.087 -16.776 129.397 1.00 16.24 ? 84 ALA A N 1 |
|
ATOM 661 C CA . ALA A 1 85 ? -83.917 -15.532 130.211 1.00 17.82 ? 84 ALA A CA 1 |
|
ATOM 662 C C . ALA A 1 85 ? -82.995 -15.762 131.425 1.00 18.05 ? 84 ALA A C 1 |
|
ATOM 663 O O . ALA A 1 85 ? -82.113 -14.938 131.679 1.00 17.61 ? 84 ALA A O 1 |
|
ATOM 664 C CB . ALA A 1 85 ? -85.241 -14.981 130.691 1.00 19.55 ? 84 ALA A CB 1 |
|
ATOM 665 N N . GLU A 1 86 ? -83.126 -16.909 132.067 1.00 16.42 ? 85 GLU A N 1 |
|
ATOM 666 C CA . GLU A 1 86 ? -82.333 -17.234 133.211 1.00 15.89 ? 85 GLU A CA 1 |
|
ATOM 667 C C . GLU A 1 86 ? -80.906 -17.633 132.837 1.00 18.53 ? 85 GLU A C 1 |
|
ATOM 668 O O . GLU A 1 86 ? -79.943 -17.284 133.549 1.00 17.54 ? 85 GLU A O 1 |
|
ATOM 669 C CB . GLU A 1 86 ? -82.972 -18.348 134.002 1.00 16.47 ? 85 GLU A CB 1 |
|
ATOM 670 C CG . GLU A 1 86 ? -84.306 -18.112 134.667 1.00 16.87 ? 85 GLU A CG 1 |
|
ATOM 671 C CD . GLU A 1 86 ? -85.479 -18.099 133.755 1.00 18.78 ? 85 GLU A CD 1 |
|
ATOM 672 O OE1 . GLU A 1 86 ? -85.394 -18.421 132.535 1.00 18.50 ? 85 GLU A OE1 1 |
|
ATOM 673 O OE2 . GLU A 1 86 ? -86.523 -17.720 134.270 1.00 20.03 ? 85 GLU A OE2 1 |
|
ATOM 674 N N . LEU A 1 87 ? -80.688 -18.326 131.710 1.00 18.70 ? 86 LEU A N 1 |
|
ATOM 675 C CA . LEU A 1 87 ? -79.311 -18.654 131.298 1.00 19.68 ? 86 LEU A CA 1 |
|
ATOM 676 C C . LEU A 1 87 ? -78.456 -17.559 130.765 1.00 20.41 ? 86 LEU A C 1 |
|
ATOM 677 O O . LEU A 1 87 ? -77.240 -17.612 130.924 1.00 16.96 ? 86 LEU A O 1 |
|
ATOM 678 C CB . LEU A 1 87 ? -79.253 -19.737 130.222 1.00 20.86 ? 86 LEU A CB 1 |
|
ATOM 679 C CG . LEU A 1 87 ? -79.737 -21.114 130.577 1.00 24.59 ? 86 LEU A CG 1 |
|
ATOM 680 C CD1 . LEU A 1 87 ? -79.323 -22.027 129.433 1.00 23.29 ? 86 LEU A CD1 1 |
|
ATOM 681 C CD2 . LEU A 1 87 ? -79.177 -21.610 131.860 1.00 26.56 ? 86 LEU A CD2 1 |
|
ATOM 682 N N . LYS A 1 88 ? -79.045 -16.595 130.084 1.00 18.39 ? 87 LYS A N 1 |
|
ATOM 683 C CA . LYS A 1 88 ? -78.273 -15.532 129.437 1.00 21.04 ? 87 LYS A CA 1 |
|
ATOM 684 C C . LYS A 1 88 ? -77.227 -14.850 130.379 1.00 18.59 ? 87 LYS A C 1 |
|
ATOM 685 O O . LYS A 1 88 ? -76.041 -14.810 130.022 1.00 20.63 ? 87 LYS A O 1 |
|
ATOM 686 C CB . LYS A 1 88 ? -79.215 -14.430 128.815 1.00 24.41 ? 87 LYS A CB 1 |
|
ATOM 687 C CG . LYS A 1 88 ? -78.429 -13.484 127.937 1.00 30.60 ? 87 LYS A CG 1 |
|
ATOM 688 C CD . LYS A 1 88 ? -79.320 -12.511 127.173 1.00 36.02 ? 87 LYS A CD 1 |
|
ATOM 689 C CE . LYS A 1 88 ? -78.441 -11.925 126.087 1.00 41.51 ? 87 LYS A CE 1 |
|
ATOM 690 N NZ . LYS A 1 88 ? -79.118 -10.842 125.353 1.00 48.65 ? 87 LYS A NZ 1 |
|
ATOM 691 N N . PRO A 1 89 ? -77.662 -14.382 131.567 1.00 20.43 ? 88 PRO A N 1 |
|
ATOM 692 C CA . PRO A 1 89 ? -76.680 -13.671 132.420 1.00 19.29 ? 88 PRO A CA 1 |
|
ATOM 693 C C . PRO A 1 89 ? -75.591 -14.599 132.940 1.00 19.72 ? 88 PRO A C 1 |
|
ATOM 694 O O . PRO A 1 89 ? -74.468 -14.123 133.186 1.00 17.52 ? 88 PRO A O 1 |
|
ATOM 695 C CB . PRO A 1 89 ? -77.533 -13.217 133.630 1.00 19.61 ? 88 PRO A CB 1 |
|
ATOM 696 C CG . PRO A 1 89 ? -78.726 -14.078 133.611 1.00 20.38 ? 88 PRO A CG 1 |
|
ATOM 697 C CD . PRO A 1 89 ? -79.007 -14.287 132.166 1.00 18.65 ? 88 PRO A CD 1 |
|
ATOM 698 N N . LEU A 1 90 ? -75.931 -15.886 133.112 1.00 16.91 ? 89 LEU A N 1 |
|
ATOM 699 C CA . LEU A 1 90 ? -74.956 -16.863 133.645 1.00 17.95 ? 89 LEU A CA 1 |
|
ATOM 700 C C . LEU A 1 90 ? -73.941 -17.178 132.567 1.00 16.41 ? 89 LEU A C 1 |
|
ATOM 701 O O . LEU A 1 90 ? -72.730 -17.218 132.821 1.00 14.84 ? 89 LEU A O 1 |
|
ATOM 702 C CB . LEU A 1 90 ? -75.625 -18.151 134.151 1.00 18.54 ? 89 LEU A CB 1 |
|
ATOM 703 C CG . LEU A 1 90 ? -76.547 -17.847 135.333 1.00 20.17 ? 89 LEU A CG 1 |
|
ATOM 704 C CD1 . LEU A 1 90 ? -77.258 -19.121 135.655 1.00 20.07 ? 89 LEU A CD1 1 |
|
ATOM 705 C CD2 . LEU A 1 90 ? -75.786 -17.337 136.595 1.00 21.57 ? 89 LEU A CD2 1 |
|
ATOM 706 N N . ALA A 1 91 ? -74.414 -17.353 131.337 1.00 16.12 ? 90 ALA A N 1 |
|
ATOM 707 C CA . ALA A 1 91 ? -73.462 -17.492 130.220 1.00 18.30 ? 90 ALA A CA 1 |
|
ATOM 708 C C . ALA A 1 91 ? -72.498 -16.346 130.105 1.00 19.60 ? 90 ALA A C 1 |
|
ATOM 709 O O . ALA A 1 91 ? -71.281 -16.555 129.986 1.00 19.35 ? 90 ALA A O 1 |
|
ATOM 710 C CB . ALA A 1 91 ? -74.202 -17.676 128.893 1.00 20.19 ? 90 ALA A CB 1 |
|
ATOM 711 N N . GLN A 1 92 ? -73.028 -15.145 130.192 1.00 19.88 ? 91 GLN A N 1 |
|
ATOM 712 C CA . GLN A 1 92 ? -72.209 -13.973 130.028 1.00 22.81 ? 91 GLN A CA 1 |
|
ATOM 713 C C . GLN A 1 92 ? -71.176 -13.906 131.114 1.00 21.74 ? 91 GLN A C 1 |
|
ATOM 714 O O . GLN A 1 92 ? -69.996 -13.675 130.834 1.00 21.33 ? 91 GLN A O 1 |
|
ATOM 715 C CB . GLN A 1 92 ? -73.069 -12.688 130.145 1.00 28.13 ? 91 GLN A CB 1 |
|
ATOM 716 C CG . GLN A 1 92 ? -72.236 -11.402 130.230 1.00 39.44 ? 91 GLN A CG 1 |
|
ATOM 717 C CD . GLN A 1 92 ? -72.797 -10.242 129.434 1.00 49.01 ? 91 GLN A CD 1 |
|
ATOM 718 O OE1 . GLN A 1 92 ? -73.995 -9.941 129.508 1.00 59.27 ? 91 GLN A OE1 1 |
|
ATOM 719 N NE2 . GLN A 1 92 ? -71.938 -9.606 128.632 1.00 56.35 ? 91 GLN A NE2 1 |
|
ATOM 720 N N . SER A 1 93 ? -71.625 -14.042 132.363 1.00 17.70 ? 92 SER A N 1 |
|
ATOM 721 C CA . SER A 1 93 ? -70.690 -13.902 133.488 1.00 15.28 ? 92 SER A CA 1 |
|
ATOM 722 C C . SER A 1 93 ? -69.640 -15.002 133.490 1.00 15.13 ? 92 SER A C 1 |
|
ATOM 723 O O . SER A 1 93 ? -68.447 -14.746 133.749 1.00 15.09 ? 92 SER A O 1 |
|
ATOM 724 C CB . SER A 1 93 ? -71.391 -13.872 134.830 1.00 15.75 ? 92 SER A CB 1 |
|
ATOM 725 O OG . SER A 1 93 ? -72.037 -15.069 135.265 1.00 14.73 ? 92 SER A OG 1 |
|
ATOM 726 N N . HIS A 1 94 ? -70.095 -16.230 133.305 1.00 13.26 ? 93 HIS A N 1 |
|
ATOM 727 C CA . HIS A 1 94 ? -69.200 -17.362 133.403 1.00 13.09 ? 93 HIS A CA 1 |
|
ATOM 728 C C . HIS A 1 94 ? -68.195 -17.426 132.244 1.00 14.52 ? 93 HIS A C 1 |
|
ATOM 729 O O . HIS A 1 94 ? -67.043 -17.739 132.451 1.00 14.46 ? 93 HIS A O 1 |
|
ATOM 730 C CB . HIS A 1 94 ? -69.975 -18.671 133.662 1.00 12.47 ? 93 HIS A CB 1 |
|
ATOM 731 C CG . HIS A 1 94 ? -70.524 -18.737 135.060 1.00 11.52 ? 93 HIS A CG 1 |
|
ATOM 732 N ND1 . HIS A 1 94 ? -71.446 -17.821 135.542 1.00 11.07 ? 93 HIS A ND1 1 |
|
ATOM 733 C CD2 . HIS A 1 94 ? -70.255 -19.576 136.092 1.00 11.49 ? 93 HIS A CD2 1 |
|
ATOM 734 C CE1 . HIS A 1 94 ? -71.682 -18.087 136.817 1.00 12.29 ? 93 HIS A CE1 1 |
|
ATOM 735 N NE2 . HIS A 1 94 ? -70.984 -19.161 137.170 1.00 11.27 ? 93 HIS A NE2 1 |
|
ATOM 736 N N . ALA A 1 95 ? -68.616 -17.075 131.046 1.00 14.71 ? 94 ALA A N 1 |
|
ATOM 737 C CA . ALA A 1 95 ? -67.703 -17.129 129.907 1.00 16.90 ? 94 ALA A CA 1 |
|
ATOM 738 C C . ALA A 1 95 ? -66.704 -15.951 129.951 1.00 18.27 ? 94 ALA A C 1 |
|
ATOM 739 O O . ALA A 1 95 ? -65.494 -16.169 129.872 1.00 19.64 ? 94 ALA A O 1 |
|
ATOM 740 C CB . ALA A 1 95 ? -68.518 -17.102 128.625 1.00 16.35 ? 94 ALA A CB 1 |
|
ATOM 741 N N . THR A 1 96 ? -67.236 -14.767 130.178 1.00 19.29 ? 95 THR A N 1 |
|
ATOM 742 C CA . THR A 1 96 ? -66.485 -13.522 129.940 1.00 20.06 ? 95 THR A CA 1 |
|
ATOM 743 C C . THR A 1 96 ? -65.857 -12.943 131.174 1.00 20.77 ? 95 THR A C 1 |
|
ATOM 744 O O . THR A 1 96 ? -64.799 -12.263 131.101 1.00 22.14 ? 95 THR A O 1 |
|
ATOM 745 C CB . THR A 1 96 ? -67.349 -12.434 129.237 1.00 23.13 ? 95 THR A CB 1 |
|
ATOM 746 O OG1 . THR A 1 96 ? -68.240 -11.758 130.159 1.00 24.04 ? 95 THR A OG1 1 |
|
ATOM 747 C CG2 . THR A 1 96 ? -68.073 -12.998 128.073 1.00 24.43 ? 95 THR A CG2 1 |
|
ATOM 748 N N . LYS A 1 97 ? -66.433 -13.174 132.341 1.00 19.41 ? 96 LYS A N 1 |
|
ATOM 749 C CA . LYS A 1 97 ? -65.889 -12.547 133.569 1.00 20.33 ? 96 LYS A CA 1 |
|
ATOM 750 C C . LYS A 1 97 ? -65.201 -13.581 134.418 1.00 18.77 ? 96 LYS A C 1 |
|
ATOM 751 O O . LYS A 1 97 ? -64.025 -13.439 134.776 1.00 20.88 ? 96 LYS A O 1 |
|
ATOM 752 C CB . LYS A 1 97 ? -66.979 -11.784 134.302 1.00 22.10 ? 96 LYS A CB 1 |
|
ATOM 753 C CG . LYS A 1 97 ? -66.575 -11.108 135.594 1.00 27.66 ? 96 LYS A CG 1 |
|
ATOM 754 C CD . LYS A 1 97 ? -67.727 -10.242 136.109 1.00 33.48 ? 96 LYS A CD 1 |
|
ATOM 755 C CE . LYS A 1 97 ? -67.888 -10.099 137.612 1.00 36.95 ? 96 LYS A CE 1 |
|
ATOM 756 N NZ . LYS A 1 97 ? -66.941 -9.090 138.170 1.00 41.90 ? 96 LYS A NZ 1 |
|
ATOM 757 N N . HIS A 1 98 ? -65.860 -14.663 134.711 1.00 15.83 ? 97 HIS A N 1 |
|
ATOM 758 C CA . HIS A 1 98 ? -65.264 -15.676 135.579 1.00 16.34 ? 97 HIS A CA 1 |
|
ATOM 759 C C . HIS A 1 98 ? -64.291 -16.623 134.806 1.00 18.33 ? 97 HIS A C 1 |
|
ATOM 760 O O . HIS A 1 98 ? -63.449 -17.287 135.438 1.00 18.14 ? 97 HIS A O 1 |
|
ATOM 761 C CB . HIS A 1 98 ? -66.334 -16.527 136.283 1.00 16.29 ? 97 HIS A CB 1 |
|
ATOM 762 C CG . HIS A 1 98 ? -67.370 -15.713 137.006 1.00 17.66 ? 97 HIS A CG 1 |
|
ATOM 763 N ND1 . HIS A 1 98 ? -67.046 -14.605 137.785 1.00 16.33 ? 97 HIS A ND1 1 |
|
ATOM 764 C CD2 . HIS A 1 98 ? -68.721 -15.810 137.018 1.00 16.14 ? 97 HIS A CD2 1 |
|
ATOM 765 C CE1 . HIS A 1 98 ? -68.163 -14.076 138.240 1.00 16.94 ? 97 HIS A CE1 1 |
|
ATOM 766 N NE2 . HIS A 1 98 ? -69.187 -14.808 137.820 1.00 17.89 ? 97 HIS A NE2 1 |
|
ATOM 767 N N . LYS A 1 99 ? -64.409 -16.663 133.483 1.00 20.21 ? 98 LYS A N 1 |
|
ATOM 768 C CA . LYS A 1 99 ? -63.504 -17.400 132.593 1.00 20.43 ? 98 LYS A CA 1 |
|
ATOM 769 C C . LYS A 1 99 ? -63.573 -18.903 132.933 1.00 20.33 ? 98 LYS A C 1 |
|
ATOM 770 O O . LYS A 1 99 ? -62.549 -19.546 133.144 1.00 17.42 ? 98 LYS A O 1 |
|
ATOM 771 C CB . LYS A 1 99 ? -62.075 -16.916 132.716 1.00 23.83 ? 98 LYS A CB 1 |
|
ATOM 772 C CG . LYS A 1 99 ? -61.911 -15.430 132.650 1.00 29.58 ? 98 LYS A CG 1 |
|
ATOM 773 C CD . LYS A 1 99 ? -62.446 -14.833 131.382 1.00 34.51 ? 98 LYS A CD 1 |
|
ATOM 774 C CE . LYS A 1 99 ? -61.626 -13.603 130.993 1.00 43.57 ? 98 LYS A CE 1 |
|
ATOM 775 N NZ . LYS A 1 99 ? -61.236 -13.742 129.542 1.00 52.05 ? 98 LYS A NZ 1 |
|
ATOM 776 N N . ILE A 1 100 ? -64.784 -19.418 132.949 1.00 17.29 ? 99 ILE A N 1 |
|
ATOM 777 C CA . ILE A 1 100 ? -65.059 -20.823 133.264 1.00 17.05 ? 99 ILE A CA 1 |
|
ATOM 778 C C . ILE A 1 100 ? -65.251 -21.593 131.968 1.00 18.77 ? 99 ILE A C 1 |
|
ATOM 779 O O . ILE A 1 100 ? -66.184 -21.363 131.255 1.00 19.73 ? 99 ILE A O 1 |
|
ATOM 780 C CB . ILE A 1 100 ? -66.344 -20.955 134.112 1.00 16.80 ? 99 ILE A CB 1 |
|
ATOM 781 C CG1 . ILE A 1 100 ? -66.262 -20.095 135.379 1.00 16.15 ? 99 ILE A CG1 1 |
|
ATOM 782 C CG2 . ILE A 1 100 ? -66.663 -22.420 134.403 1.00 17.04 ? 99 ILE A CG2 1 |
|
ATOM 783 C CD1 . ILE A 1 100 ? -65.031 -20.273 136.222 1.00 16.52 ? 99 ILE A CD1 1 |
|
ATOM 784 N N . PRO A 1 101 ? -64.353 -22.527 131.648 1.00 17.02 ? 100 PRO A N 1 |
|
ATOM 785 C CA . PRO A 1 101 ? -64.576 -23.349 130.429 1.00 18.46 ? 100 PRO A CA 1 |
|
ATOM 786 C C . PRO A 1 101 ? -65.823 -24.236 130.539 1.00 17.90 ? 100 PRO A C 1 |
|
ATOM 787 O O . PRO A 1 101 ? -66.177 -24.627 131.648 1.00 15.70 ? 100 PRO A O 1 |
|
ATOM 788 C CB . PRO A 1 101 ? -63.310 -24.224 130.398 1.00 19.08 ? 100 PRO A CB 1 |
|
ATOM 789 C CG . PRO A 1 101 ? -62.321 -23.564 131.202 1.00 20.80 ? 100 PRO A CG 1 |
|
ATOM 790 C CD . PRO A 1 101 ? -63.115 -22.906 132.324 1.00 19.56 ? 100 PRO A CD 1 |
|
ATOM 791 N N . ILE A 1 102 ? -66.496 -24.582 129.419 1.00 17.38 ? 101 ILE A N 1 |
|
ATOM 792 C CA . ILE A 1 102 ? -67.657 -25.491 129.452 1.00 19.12 ? 101 ILE A CA 1 |
|
ATOM 793 C C . ILE A 1 102 ? -67.319 -26.804 130.121 1.00 16.98 ? 101 ILE A C 1 |
|
ATOM 794 O O . ILE A 1 102 ? -68.166 -27.411 130.771 1.00 18.51 ? 101 ILE A O 1 |
|
ATOM 795 C CB . ILE A 1 102 ? -68.280 -25.724 128.016 1.00 22.33 ? 101 ILE A CB 1 |
|
ATOM 796 C CG1 . ILE A 1 102 ? -68.910 -24.457 127.438 1.00 24.86 ? 101 ILE A CG1 1 |
|
ATOM 797 C CG2 . ILE A 1 102 ? -69.398 -26.762 128.051 1.00 22.79 ? 101 ILE A CG2 1 |
|
ATOM 798 C CD1 . ILE A 1 102 ? -69.976 -23.811 128.327 1.00 26.90 ? 101 ILE A CD1 1 |
|
ATOM 799 N N . LYS A 1 103 ? -66.063 -27.232 130.012 1.00 17.42 ? 102 LYS A N 1 |
|
ATOM 800 C CA . LYS A 1 103 ? -65.630 -28.471 130.686 1.00 17.08 ? 102 LYS A CA 1 |
|
ATOM 801 C C . LYS A 1 103 ? -65.914 -28.449 132.161 1.00 15.27 ? 102 LYS A C 1 |
|
ATOM 802 O O . LYS A 1 103 ? -66.309 -29.448 132.739 1.00 14.65 ? 102 LYS A O 1 |
|
ATOM 803 C CB . LYS A 1 103 ? -64.138 -28.730 130.433 1.00 19.44 ? 102 LYS A CB 1 |
|
ATOM 804 C CG . LYS A 1 103 ? -63.626 -30.080 130.979 1.00 24.21 ? 102 LYS A CG 1 |
|
ATOM 805 C CD . LYS A 1 103 ? -64.109 -31.183 130.064 1.00 28.50 ? 102 LYS A CD 1 |
|
ATOM 806 C CE . LYS A 1 103 ? -63.859 -32.555 130.607 1.00 34.69 ? 102 LYS A CE 1 |
|
ATOM 807 N NZ . LYS A 1 103 ? -64.377 -33.490 129.579 1.00 37.36 ? 102 LYS A NZ 1 |
|
ATOM 808 N N . TYR A 1 104 ? -65.752 -27.283 132.783 1.00 14.33 ? 103 TYR A N 1 |
|
ATOM 809 C CA . TYR A 1 104 ? -65.972 -27.234 134.193 1.00 14.16 ? 103 TYR A CA 1 |
|
ATOM 810 C C . TYR A 1 104 ? -67.447 -27.306 134.532 1.00 13.78 ? 103 TYR A C 1 |
|
ATOM 811 O O . TYR A 1 104 ? -67.751 -27.702 135.599 1.00 13.27 ? 103 TYR A O 1 |
|
ATOM 812 C CB . TYR A 1 104 ? -65.386 -25.989 134.848 1.00 14.05 ? 103 TYR A CB 1 |
|
ATOM 813 C CG . TYR A 1 104 ? -63.885 -25.843 134.752 1.00 15.29 ? 103 TYR A CG 1 |
|
ATOM 814 C CD1 . TYR A 1 104 ? -63.096 -26.695 133.953 1.00 19.00 ? 103 TYR A CD1 1 |
|
ATOM 815 C CD2 . TYR A 1 104 ? -63.263 -24.786 135.435 1.00 14.84 ? 103 TYR A CD2 1 |
|
ATOM 816 C CE1 . TYR A 1 104 ? -61.686 -26.490 133.866 1.00 18.42 ? 103 TYR A CE1 1 |
|
ATOM 817 C CE2 . TYR A 1 104 ? -61.889 -24.574 135.347 1.00 17.23 ? 103 TYR A CE2 1 |
|
ATOM 818 C CZ . TYR A 1 104 ? -61.145 -25.423 134.558 1.00 18.77 ? 103 TYR A CZ 1 |
|
ATOM 819 O OH . TYR A 1 104 ? -59.826 -25.172 134.518 1.00 25.05 ? 103 TYR A OH 1 |
|
ATOM 820 N N . LEU A 1 105 ? -68.364 -26.935 133.643 1.00 13.48 ? 104 LEU A N 1 |
|
ATOM 821 C CA . LEU A 1 105 ? -69.800 -27.232 133.884 1.00 14.83 ? 104 LEU A CA 1 |
|
ATOM 822 C C . LEU A 1 105 ? -70.075 -28.753 133.831 1.00 14.88 ? 104 LEU A C 1 |
|
ATOM 823 O O . LEU A 1 105 ? -70.968 -29.254 134.505 1.00 13.86 ? 104 LEU A O 1 |
|
ATOM 824 C CB . LEU A 1 105 ? -70.682 -26.485 132.878 1.00 14.61 ? 104 LEU A CB 1 |
|
ATOM 825 C CG . LEU A 1 105 ? -70.437 -24.960 132.807 1.00 18.22 ? 104 LEU A CG 1 |
|
ATOM 826 C CD1 . LEU A 1 105 ? -71.322 -24.344 131.688 1.00 21.41 ? 104 LEU A CD1 1 |
|
ATOM 827 C CD2 . LEU A 1 105 ? -70.710 -24.324 134.095 1.00 20.40 ? 104 LEU A CD2 1 |
|
ATOM 828 N N . GLU A 1 106 ? -69.360 -29.485 132.990 1.00 14.43 ? 105 GLU A N 1 |
|
ATOM 829 C CA . GLU A 1 106 ? -69.512 -30.933 132.961 1.00 16.03 ? 105 GLU A CA 1 |
|
ATOM 830 C C . GLU A 1 106 ? -69.060 -31.479 134.327 1.00 13.93 ? 105 GLU A C 1 |
|
ATOM 831 O O . GLU A 1 106 ? -69.745 -32.298 134.958 1.00 13.27 ? 105 GLU A O 1 |
|
ATOM 832 C CB . GLU A 1 106 ? -68.661 -31.529 131.858 1.00 19.03 ? 105 GLU A CB 1 |
|
ATOM 833 C CG . GLU A 1 106 ? -68.818 -32.990 131.644 1.00 21.52 ? 105 GLU A CG 1 |
|
ATOM 834 C CD . GLU A 1 106 ? -67.938 -33.481 130.511 1.00 24.12 ? 105 GLU A CD 1 |
|
ATOM 835 O OE1 . GLU A 1 106 ? -67.882 -34.691 130.343 1.00 35.05 ? 105 GLU A OE1 1 |
|
ATOM 836 O OE2 . GLU A 1 106 ? -67.281 -32.664 129.842 1.00 24.40 ? 105 GLU A OE2 1 |
|
ATOM 837 N N . PHE A 1 107 ? -67.958 -30.962 134.834 1.00 13.35 ? 106 PHE A N 1 |
|
ATOM 838 C CA . PHE A 1 107 ? -67.429 -31.388 136.160 1.00 13.21 ? 106 PHE A CA 1 |
|
ATOM 839 C C . PHE A 1 107 ? -68.442 -31.105 137.277 1.00 12.80 ? 106 PHE A C 1 |
|
ATOM 840 O O . PHE A 1 107 ? -68.714 -31.980 138.110 1.00 12.96 ? 106 PHE A O 1 |
|
ATOM 841 C CB . PHE A 1 107 ? -66.123 -30.712 136.528 1.00 14.50 ? 106 PHE A CB 1 |
|
ATOM 842 C CG . PHE A 1 107 ? -64.935 -31.006 135.617 1.00 14.85 ? 106 PHE A CG 1 |
|
ATOM 843 C CD1 . PHE A 1 107 ? -64.826 -32.234 134.870 1.00 15.13 ? 106 PHE A CD1 1 |
|
ATOM 844 C CD2 . PHE A 1 107 ? -63.864 -30.096 135.623 1.00 16.24 ? 106 PHE A CD2 1 |
|
ATOM 845 C CE1 . PHE A 1 107 ? -63.711 -32.498 134.122 1.00 16.61 ? 106 PHE A CE1 1 |
|
ATOM 846 C CE2 . PHE A 1 107 ? -62.720 -30.374 134.871 1.00 16.54 ? 106 PHE A CE2 1 |
|
ATOM 847 C CZ . PHE A 1 107 ? -62.649 -31.585 134.194 1.00 16.61 ? 106 PHE A CZ 1 |
|
ATOM 848 N N . ILE A 1 108 ? -69.072 -29.908 137.297 1.00 13.28 ? 107 ILE A N 1 |
|
ATOM 849 C CA . ILE A 1 108 ? -70.001 -29.627 138.381 1.00 12.98 ? 107 ILE A CA 1 |
|
ATOM 850 C C . ILE A 1 108 ? -71.268 -30.493 138.252 1.00 13.25 ? 107 ILE A C 1 |
|
ATOM 851 O O . ILE A 1 108 ? -71.869 -30.882 139.275 1.00 13.51 ? 107 ILE A O 1 |
|
ATOM 852 C CB . ILE A 1 108 ? -70.336 -28.135 138.555 1.00 12.87 ? 107 ILE A CB 1 |
|
ATOM 853 C CG1 . ILE A 1 108 ? -70.830 -27.832 139.956 1.00 12.20 ? 107 ILE A CG1 1 |
|
ATOM 854 C CG2 . ILE A 1 108 ? -71.414 -27.662 137.553 1.00 13.31 ? 107 ILE A CG2 1 |
|
ATOM 855 C CD1 . ILE A 1 108 ? -71.027 -26.392 140.246 1.00 11.39 ? 107 ILE A CD1 1 |
|
ATOM 856 N N . SER A 1 109 ? -71.627 -30.809 137.000 1.00 13.64 ? 108 SER A N 1 |
|
ATOM 857 C CA . SER A 1 109 ? -72.745 -31.746 136.729 1.00 14.07 ? 108 SER A CA 1 |
|
ATOM 858 C C . SER A 1 109 ? -72.516 -33.133 137.321 1.00 13.22 ? 108 SER A C 1 |
|
ATOM 859 O O . SER A 1 109 ? -73.373 -33.716 137.985 1.00 14.13 ? 108 SER A O 1 |
|
ATOM 860 C CB . SER A 1 109 ? -73.045 -31.826 135.230 1.00 14.70 ? 108 SER A CB 1 |
|
ATOM 861 O OG . SER A 1 109 ? -73.413 -30.546 134.739 1.00 16.11 ? 108 SER A OG 1 |
|
ATOM 862 N N . GLU A 1 110 ? -71.292 -33.612 137.196 1.00 14.67 ? 109 GLU A N 1 |
|
ATOM 863 C CA . GLU A 1 110 ? -70.879 -34.907 137.758 1.00 16.89 ? 109 GLU A CA 1 |
|
ATOM 864 C C . GLU A 1 110 ? -70.840 -34.860 139.275 1.00 14.27 ? 109 GLU A C 1 |
|
ATOM 865 O O . GLU A 1 110 ? -71.289 -35.800 139.921 1.00 13.66 ? 109 GLU A O 1 |
|
ATOM 866 C CB . GLU A 1 110 ? -69.499 -35.330 137.194 1.00 19.62 ? 109 GLU A CB 1 |
|
ATOM 867 C CG . GLU A 1 110 ? -69.656 -35.585 135.689 1.00 25.10 ? 109 GLU A CG 1 |
|
ATOM 868 C CD . GLU A 1 110 ? -68.427 -36.118 135.021 1.00 34.37 ? 109 GLU A CD 1 |
|
ATOM 869 O OE1 . GLU A 1 110 ? -67.318 -35.792 135.489 1.00 34.52 ? 109 GLU A OE1 1 |
|
ATOM 870 O OE2 . GLU A 1 110 ? -68.611 -36.899 134.046 1.00 41.89 ? 109 GLU A OE2 1 |
|
ATOM 871 N N . ALA A 1 111 ? -70.437 -33.717 139.827 1.00 15.00 ? 110 ALA A N 1 |
|
ATOM 872 C CA . ALA A 1 111 ? -70.464 -33.514 141.251 1.00 14.81 ? 110 ALA A CA 1 |
|
ATOM 873 C C . ALA A 1 111 ? -71.868 -33.566 141.787 1.00 13.96 ? 110 ALA A C 1 |
|
ATOM 874 O O . ALA A 1 111 ? -72.109 -34.110 142.876 1.00 12.90 ? 110 ALA A O 1 |
|
ATOM 875 C CB . ALA A 1 111 ? -69.707 -32.207 141.671 1.00 15.21 ? 110 ALA A CB 1 |
|
ATOM 876 N N . ILE A 1 112 ? -72.819 -32.996 141.038 1.00 13.40 ? 111 ILE A N 1 |
|
ATOM 877 C CA . ILE A 1 112 ? -74.212 -33.030 141.481 1.00 13.83 ? 111 ILE A CA 1 |
|
ATOM 878 C C . ILE A 1 112 ? -74.700 -34.483 141.618 1.00 13.54 ? 111 ILE A C 1 |
|
ATOM 879 O O . ILE A 1 112 ? -75.301 -34.835 142.665 1.00 13.34 ? 111 ILE A O 1 |
|
ATOM 880 C CB . ILE A 1 112 ? -75.089 -32.216 140.524 1.00 13.07 ? 111 ILE A CB 1 |
|
ATOM 881 C CG1 . ILE A 1 112 ? -74.820 -30.761 140.719 1.00 14.77 ? 111 ILE A CG1 1 |
|
ATOM 882 C CG2 . ILE A 1 112 ? -76.561 -32.475 140.762 1.00 13.27 ? 111 ILE A CG2 1 |
|
ATOM 883 C CD1 . ILE A 1 112 ? -75.300 -29.840 139.588 1.00 14.84 ? 111 ILE A CD1 1 |
|
ATOM 884 N N . ILE A 1 113 ? -74.445 -35.299 140.597 1.00 13.02 ? 112 ILE A N 1 |
|
ATOM 885 C CA . ILE A 1 113 ? -74.847 -36.710 140.593 1.00 14.19 ? 112 ILE A CA 1 |
|
ATOM 886 C C . ILE A 1 113 ? -74.155 -37.438 141.729 1.00 15.21 ? 112 ILE A C 1 |
|
ATOM 887 O O . ILE A 1 113 ? -74.778 -38.202 142.470 1.00 14.38 ? 112 ILE A O 1 |
|
ATOM 888 C CB . ILE A 1 113 ? -74.520 -37.393 139.281 1.00 15.66 ? 112 ILE A CB 1 |
|
ATOM 889 C CG1 . ILE A 1 113 ? -75.279 -36.706 138.153 1.00 18.56 ? 112 ILE A CG1 1 |
|
ATOM 890 C CG2 . ILE A 1 113 ? -74.860 -38.879 139.316 1.00 16.82 ? 112 ILE A CG2 1 |
|
ATOM 891 C CD1 . ILE A 1 113 ? -76.775 -36.822 138.189 1.00 18.21 ? 112 ILE A CD1 1 |
|
ATOM 892 N N . HIS A 1 114 ? -72.872 -37.146 141.903 1.00 15.20 ? 113 HIS A N 1 |
|
ATOM 893 C CA . HIS A 1 114 ? -72.118 -37.787 143.018 1.00 16.11 ? 113 HIS A CA 1 |
|
ATOM 894 C C . HIS A 1 114 ? -72.721 -37.522 144.409 1.00 14.13 ? 113 HIS A C 1 |
|
ATOM 895 O O . HIS A 1 114 ? -72.876 -38.439 145.240 1.00 14.25 ? 113 HIS A O 1 |
|
ATOM 896 C CB . HIS A 1 114 ? -70.689 -37.312 143.013 1.00 16.87 ? 113 HIS A CB 1 |
|
ATOM 897 C CG . HIS A 1 114 ? -69.861 -37.968 144.061 1.00 21.91 ? 113 HIS A CG 1 |
|
ATOM 898 N ND1 . HIS A 1 114 ? -69.317 -39.237 143.901 1.00 23.87 ? 113 HIS A ND1 1 |
|
ATOM 899 C CD2 . HIS A 1 114 ? -69.560 -37.572 145.322 1.00 22.40 ? 113 HIS A CD2 1 |
|
ATOM 900 C CE1 . HIS A 1 114 ? -68.687 -39.561 145.018 1.00 26.83 ? 113 HIS A CE1 1 |
|
ATOM 901 N NE2 . HIS A 1 114 ? -68.823 -38.571 145.890 1.00 22.78 ? 113 HIS A NE2 1 |
|
ATOM 902 N N . VAL A 1 115 ? -73.023 -36.260 144.642 1.00 13.06 ? 114 VAL A N 1 |
|
ATOM 903 C CA . VAL A 1 115 ? -73.540 -35.804 145.922 1.00 12.93 ? 114 VAL A CA 1 |
|
ATOM 904 C C . VAL A 1 115 ? -74.952 -36.308 146.176 1.00 11.81 ? 114 VAL A C 1 |
|
ATOM 905 O O . VAL A 1 115 ? -75.268 -36.758 147.292 1.00 12.36 ? 114 VAL A O 1 |
|
ATOM 906 C CB . VAL A 1 115 ? -73.459 -34.260 146.017 1.00 12.57 ? 114 VAL A CB 1 |
|
ATOM 907 C CG1 . VAL A 1 115 ? -74.261 -33.719 147.228 1.00 13.53 ? 114 VAL A CG1 1 |
|
ATOM 908 C CG2 . VAL A 1 115 ? -71.990 -33.851 146.143 1.00 12.63 ? 114 VAL A CG2 1 |
|
ATOM 909 N N . LEU A 1 116 ? -75.804 -36.277 145.150 1.00 12.33 ? 115 LEU A N 1 |
|
ATOM 910 C CA . LEU A 1 116 ? -77.125 -36.891 145.259 1.00 12.46 ? 115 LEU A CA 1 |
|
ATOM 911 C C . LEU A 1 116 ? -77.021 -38.384 145.637 1.00 12.88 ? 115 LEU A C 1 |
|
ATOM 912 O O . LEU A 1 116 ? -77.759 -38.847 146.531 1.00 14.11 ? 115 LEU A O 1 |
|
ATOM 913 C CB . LEU A 1 116 ? -77.930 -36.794 143.965 1.00 13.58 ? 115 LEU A CB 1 |
|
ATOM 914 C CG . LEU A 1 116 ? -78.367 -35.336 143.694 1.00 13.56 ? 115 LEU A CG 1 |
|
ATOM 915 C CD1 . LEU A 1 116 ? -78.835 -35.266 142.243 1.00 15.71 ? 115 LEU A CD1 1 |
|
ATOM 916 C CD2 . LEU A 1 116 ? -79.395 -34.856 144.724 1.00 15.67 ? 115 LEU A CD2 1 |
|
ATOM 917 N N . HIS A 1 117 ? -76.116 -39.121 145.011 1.00 12.02 ? 116 HIS A N 1 |
|
ATOM 918 C CA . HIS A 1 117 ? -75.919 -40.534 145.414 1.00 12.72 ? 116 HIS A CA 1 |
|
ATOM 919 C C . HIS A 1 117 ? -75.433 -40.706 146.823 1.00 14.05 ? 116 HIS A C 1 |
|
ATOM 920 O O . HIS A 1 117 ? -75.879 -41.623 147.554 1.00 14.47 ? 116 HIS A O 1 |
|
ATOM 921 C CB . HIS A 1 117 ? -75.048 -41.294 144.397 1.00 13.29 ? 116 HIS A CB 1 |
|
ATOM 922 C CG . HIS A 1 117 ? -75.869 -41.986 143.360 1.00 14.79 ? 116 HIS A CG 1 |
|
ATOM 923 N ND1 . HIS A 1 117 ? -75.863 -41.624 142.022 1.00 15.95 ? 116 HIS A ND1 1 |
|
ATOM 924 C CD2 . HIS A 1 117 ? -76.808 -42.951 143.491 1.00 12.51 ? 116 HIS A CD2 1 |
|
ATOM 925 C CE1 . HIS A 1 117 ? -76.735 -42.394 141.368 1.00 13.94 ? 116 HIS A CE1 1 |
|
ATOM 926 N NE2 . HIS A 1 117 ? -77.317 -43.203 142.241 1.00 17.28 ? 116 HIS A NE2 1 |
|
ATOM 927 N N . SER A 1 118 ? -74.498 -39.857 147.207 1.00 14.07 ? 117 SER A N 1 |
|
ATOM 928 C CA . SER A 1 118 ? -73.939 -39.899 148.535 1.00 13.81 ? 117 SER A CA 1 |
|
ATOM 929 C C . SER A 1 118 ? -74.910 -39.603 149.627 1.00 14.34 ? 117 SER A C 1 |
|
ATOM 930 O O . SER A 1 118 ? -74.849 -40.236 150.695 1.00 15.61 ? 117 SER A O 1 |
|
ATOM 931 C CB . SER A 1 118 ? -72.703 -39.028 148.619 1.00 16.62 ? 117 SER A CB 1 |
|
ATOM 932 O OG . SER A 1 118 ? -72.119 -39.214 149.907 1.00 18.30 ? 117 SER A OG 1 |
|
ATOM 933 N N . ARG A 1 119 ? -75.825 -38.652 149.405 1.00 14.11 ? 118 ARG A N 1 |
|
ATOM 934 C CA . ARG A 1 119 ? -76.731 -38.187 150.461 1.00 14.55 ? 118 ARG A CA 1 |
|
ATOM 935 C C . ARG A 1 119 ? -77.966 -39.021 150.486 1.00 13.37 ? 118 ARG A C 1 |
|
ATOM 936 O O . ARG A 1 119 ? -78.645 -39.019 151.520 1.00 13.44 ? 118 ARG A O 1 |
|
ATOM 937 C CB . ARG A 1 119 ? -77.056 -36.667 150.312 1.00 15.35 ? 118 ARG A CB 1 |
|
ATOM 938 C CG . ARG A 1 119 ? -75.845 -35.788 150.633 1.00 16.86 ? 118 ARG A CG 1 |
|
ATOM 939 C CD . ARG A 1 119 ? -76.001 -34.288 150.362 1.00 18.12 ? 118 ARG A CD 1 |
|
ATOM 940 N NE . ARG A 1 119 ? -76.914 -33.795 151.319 1.00 21.53 ? 118 ARG A NE 1 |
|
ATOM 941 C CZ . ARG A 1 119 ? -76.668 -32.950 152.336 1.00 17.55 ? 118 ARG A CZ 1 |
|
ATOM 942 N NH1 . ARG A 1 119 ? -75.485 -32.345 152.613 1.00 20.74 ? 118 ARG A NH1 1 |
|
ATOM 943 N NH2 . ARG A 1 119 ? -77.723 -32.676 153.056 1.00 17.69 ? 118 ARG A NH2 1 |
|
ATOM 944 N N . HIS A 1 120 ? -78.312 -39.705 149.387 1.00 13.24 ? 119 HIS A N 1 |
|
ATOM 945 C CA . HIS A 1 120 ? -79.608 -40.412 149.242 1.00 13.01 ? 119 HIS A CA 1 |
|
ATOM 946 C C . HIS A 1 120 ? -79.485 -41.857 148.831 1.00 13.13 ? 119 HIS A C 1 |
|
ATOM 947 O O . HIS A 1 120 ? -80.173 -42.315 147.910 1.00 13.64 ? 119 HIS A O 1 |
|
ATOM 948 C CB . HIS A 1 120 ? -80.523 -39.627 148.314 1.00 13.08 ? 119 HIS A CB 1 |
|
ATOM 949 C CG . HIS A 1 120 ? -80.674 -38.192 148.696 1.00 13.25 ? 119 HIS A CG 1 |
|
ATOM 950 N ND1 . HIS A 1 120 ? -81.517 -37.768 149.716 1.00 12.46 ? 119 HIS A ND1 1 |
|
ATOM 951 C CD2 . HIS A 1 120 ? -80.034 -37.086 148.248 1.00 14.11 ? 119 HIS A CD2 1 |
|
ATOM 952 C CE1 . HIS A 1 120 ? -81.365 -36.455 149.868 1.00 14.53 ? 119 HIS A CE1 1 |
|
ATOM 953 N NE2 . HIS A 1 120 ? -80.486 -36.016 148.980 1.00 13.57 ? 119 HIS A NE2 1 |
|
ATOM 954 N N . PRO A 1 121 ? -78.606 -42.619 149.519 1.00 14.87 ? 120 PRO A N 1 |
|
ATOM 955 C CA . PRO A 1 121 ? -78.425 -43.999 149.105 1.00 15.25 ? 120 PRO A CA 1 |
|
ATOM 956 C C . PRO A 1 121 ? -79.687 -44.787 149.251 1.00 15.14 ? 120 PRO A C 1 |
|
ATOM 957 O O . PRO A 1 121 ? -80.344 -44.775 150.312 1.00 15.74 ? 120 PRO A O 1 |
|
ATOM 958 C CB . PRO A 1 121 ? -77.306 -44.494 150.038 1.00 16.46 ? 120 PRO A CB 1 |
|
ATOM 959 C CG . PRO A 1 121 ? -77.513 -43.634 151.252 1.00 15.97 ? 120 PRO A CG 1 |
|
ATOM 960 C CD . PRO A 1 121 ? -77.796 -42.274 150.689 1.00 15.37 ? 120 PRO A CD 1 |
|
ATOM 961 N N . GLY A 1 122 ? -80.048 -45.464 148.180 1.00 15.59 ? 121 GLY A N 1 |
|
ATOM 962 C CA . GLY A 1 122 ? -81.273 -46.281 148.109 1.00 16.95 ? 121 GLY A CA 1 |
|
ATOM 963 C C . GLY A 1 122 ? -82.452 -45.474 147.685 1.00 16.66 ? 121 GLY A C 1 |
|
ATOM 964 O O . GLY A 1 122 ? -83.525 -46.031 147.442 1.00 15.52 ? 121 GLY A O 1 |
|
ATOM 965 N N . ASN A 1 123 ? -82.271 -44.166 147.535 1.00 15.75 ? 122 ASN A N 1 |
|
ATOM 966 C CA . ASN A 1 123 ? -83.399 -43.252 147.184 1.00 17.49 ? 122 ASN A CA 1 |
|
ATOM 967 C C . ASN A 1 123 ? -83.105 -42.388 145.978 1.00 17.43 ? 122 ASN A C 1 |
|
ATOM 968 O O . ASN A 1 123 ? -83.837 -41.404 145.753 1.00 21.62 ? 122 ASN A O 1 |
|
ATOM 969 C CB . ASN A 1 123 ? -83.791 -42.342 148.367 1.00 20.30 ? 122 ASN A CB 1 |
|
ATOM 970 C CG . ASN A 1 123 ? -84.484 -43.101 149.460 1.00 27.22 ? 122 ASN A CG 1 |
|
ATOM 971 O OD1 . ASN A 1 123 ? -83.993 -43.170 150.591 1.00 36.20 ? 122 ASN A OD1 1 |
|
ATOM 972 N ND2 . ASN A 1 123 ? -85.595 -43.731 149.128 1.00 32.68 ? 122 ASN A ND2 1 |
|
ATOM 973 N N . PHE A 1 124 ? -82.092 -42.709 145.162 1.00 14.41 ? 123 PHE A N 1 |
|
ATOM 974 C CA . PHE A 1 124 ? -81.853 -41.899 143.941 1.00 14.17 ? 123 PHE A CA 1 |
|
ATOM 975 C C . PHE A 1 124 ? -81.946 -42.908 142.789 1.00 16.27 ? 123 PHE A C 1 |
|
ATOM 976 O O . PHE A 1 124 ? -80.992 -43.587 142.407 1.00 16.38 ? 123 PHE A O 1 |
|
ATOM 977 C CB . PHE A 1 124 ? -80.514 -41.142 144.005 1.00 14.81 ? 123 PHE A CB 1 |
|
ATOM 978 C CG . PHE A 1 124 ? -80.189 -40.304 142.789 1.00 13.73 ? 123 PHE A CG 1 |
|
ATOM 979 C CD1 . PHE A 1 124 ? -81.169 -39.669 142.041 1.00 13.45 ? 123 PHE A CD1 1 |
|
ATOM 980 C CD2 . PHE A 1 124 ? -78.863 -40.098 142.443 1.00 13.95 ? 123 PHE A CD2 1 |
|
ATOM 981 C CE1 . PHE A 1 124 ? -80.825 -38.902 140.938 1.00 13.67 ? 123 PHE A CE1 1 |
|
ATOM 982 C CE2 . PHE A 1 124 ? -78.529 -39.294 141.369 1.00 13.70 ? 123 PHE A CE2 1 |
|
ATOM 983 C CZ . PHE A 1 124 ? -79.519 -38.699 140.628 1.00 13.36 ? 123 PHE A CZ 1 |
|
ATOM 984 N N . GLY A 1 125 ? -83.167 -43.000 142.300 1.00 18.23 ? 124 GLY A N 1 |
|
ATOM 985 C CA . GLY A 1 125 ? -83.563 -44.072 141.363 1.00 19.10 ? 124 GLY A CA 1 |
|
ATOM 986 C C . GLY A 1 125 ? -82.860 -44.001 140.028 1.00 18.19 ? 124 GLY A C 1 |
|
ATOM 987 O O . GLY A 1 125 ? -82.410 -42.947 139.594 1.00 15.86 ? 124 GLY A O 1 |
|
ATOM 988 N N . ALA A 1 126 ? -82.773 -45.149 139.351 1.00 15.71 ? 125 ALA A N 1 |
|
ATOM 989 C CA . ALA A 1 126 ? -82.091 -45.208 138.055 1.00 15.73 ? 125 ALA A CA 1 |
|
ATOM 990 C C . ALA A 1 126 ? -82.795 -44.295 137.027 1.00 13.26 ? 125 ALA A C 1 |
|
ATOM 991 O O . ALA A 1 126 ? -82.160 -43.633 136.196 1.00 13.75 ? 125 ALA A O 1 |
|
ATOM 992 C CB . ALA A 1 126 ? -82.103 -46.646 137.560 1.00 16.09 ? 125 ALA A CB 1 |
|
ATOM 993 N N . ASP A 1 127 ? -84.135 -44.278 137.070 1.00 15.26 ? 126 ASP A N 1 |
|
ATOM 994 C CA . ASP A 1 127 ? -84.936 -43.365 136.222 1.00 15.92 ? 126 ASP A CA 1 |
|
ATOM 995 C C . ASP A 1 127 ? -84.603 -41.887 136.489 1.00 15.39 ? 126 ASP A C 1 |
|
ATOM 996 O O . ASP A 1 127 ? -84.379 -41.077 135.580 1.00 14.93 ? 126 ASP A O 1 |
|
ATOM 997 C CB . ASP A 1 127 ? -86.482 -43.712 136.273 1.00 18.49 ? 126 ASP A CB 1 |
|
ATOM 998 C CG . ASP A 1 127 ? -87.137 -43.587 137.645 1.00 18.63 ? 126 ASP A CG 1 |
|
ATOM 999 O OD1 . ASP A 1 127 ? -86.507 -43.313 138.690 1.00 18.55 ? 126 ASP A OD1 1 |
|
ATOM 1000 O OD2 . ASP A 1 127 ? -88.418 -43.749 137.652 1.00 21.03 ? 126 ASP A OD2 1 |
|
ATOM 1001 N N . ALA A 1 128 ? -84.537 -41.561 137.757 1.00 14.60 ? 127 ALA A N 1 |
|
ATOM 1002 C CA . ALA A 1 128 ? -84.177 -40.218 138.250 1.00 15.33 ? 127 ALA A CA 1 |
|
ATOM 1003 C C . ALA A 1 128 ? -82.786 -39.765 137.827 1.00 14.78 ? 127 ALA A C 1 |
|
ATOM 1004 O O . ALA A 1 128 ? -82.580 -38.618 137.403 1.00 13.55 ? 127 ALA A O 1 |
|
ATOM 1005 C CB . ALA A 1 128 ? -84.296 -40.239 139.758 1.00 16.29 ? 127 ALA A CB 1 |
|
ATOM 1006 N N . GLN A 1 129 ? -81.821 -40.654 137.897 1.00 13.49 ? 128 GLN A N 1 |
|
ATOM 1007 C CA . GLN A 1 129 ? -80.495 -40.324 137.453 1.00 12.22 ? 128 GLN A CA 1 |
|
ATOM 1008 C C . GLN A 1 129 ? -80.471 -40.009 135.983 1.00 12.88 ? 128 GLN A C 1 |
|
ATOM 1009 O O . GLN A 1 129 ? -79.817 -39.080 135.531 1.00 13.94 ? 128 GLN A O 1 |
|
ATOM 1010 C CB . GLN A 1 129 ? -79.492 -41.427 137.831 1.00 13.92 ? 128 GLN A CB 1 |
|
ATOM 1011 C CG . GLN A 1 129 ? -78.049 -41.064 137.484 1.00 13.36 ? 128 GLN A CG 1 |
|
ATOM 1012 C CD . GLN A 1 129 ? -77.041 -42.166 137.772 1.00 12.94 ? 128 GLN A CD 1 |
|
ATOM 1013 O OE1 . GLN A 1 129 ? -77.272 -43.006 138.624 1.00 14.15 ? 128 GLN A OE1 1 |
|
ATOM 1014 N NE2 . GLN A 1 129 ? -75.937 -42.192 136.999 1.00 13.80 ? 128 GLN A NE2 1 |
|
ATOM 1015 N N . GLY A 1 130 ? -81.167 -40.825 135.212 1.00 12.85 ? 129 GLY A N 1 |
|
ATOM 1016 C CA . GLY A 1 130 ? -81.329 -40.572 133.806 1.00 13.62 ? 129 GLY A CA 1 |
|
ATOM 1017 C C . GLY A 1 130 ? -81.891 -39.221 133.457 1.00 12.46 ? 129 GLY A C 1 |
|
ATOM 1018 O O . GLY A 1 130 ? -81.404 -38.540 132.492 1.00 12.02 ? 129 GLY A O 1 |
|
ATOM 1019 N N . ALA A 1 131 ? -82.955 -38.880 134.166 1.00 11.61 ? 130 ALA A N 1 |
|
ATOM 1020 C CA . ALA A 1 131 ? -83.680 -37.639 133.897 1.00 12.43 ? 130 ALA A CA 1 |
|
ATOM 1021 C C . ALA A 1 131 ? -82.812 -36.453 134.289 1.00 12.37 ? 130 ALA A C 1 |
|
ATOM 1022 O O . ALA A 1 131 ? -82.751 -35.468 133.575 1.00 13.28 ? 130 ALA A O 1 |
|
ATOM 1023 C CB . ALA A 1 131 ? -85.059 -37.597 134.604 1.00 12.74 ? 130 ALA A CB 1 |
|
ATOM 1024 N N . MET A 1 132 ? -82.137 -36.554 135.438 1.00 13.34 ? 131 MET A N 1 |
|
ATOM 1025 C CA . MET A 1 132 ? -81.288 -35.461 135.971 1.00 14.18 ? 131 MET A CA 1 |
|
ATOM 1026 C C . MET A 1 132 ? -80.100 -35.263 134.998 1.00 14.08 ? 131 MET A C 1 |
|
ATOM 1027 O O . MET A 1 132 ? -79.799 -34.135 134.602 1.00 12.26 ? 131 MET A O 1 |
|
ATOM 1028 C CB . MET A 1 132 ? -80.779 -35.766 137.368 1.00 16.50 ? 131 MET A CB 1 |
|
ATOM 1029 C CG . MET A 1 132 ? -79.955 -34.648 137.997 1.00 18.59 ? 131 MET A CG 1 |
|
ATOM 1030 S SD . MET A 1 132 ? -80.854 -33.063 138.086 1.00 24.79 ? 131 MET A SD 1 |
|
ATOM 1031 C CE . MET A 1 132 ? -82.048 -33.573 139.219 1.00 19.95 ? 131 MET A CE 1 |
|
ATOM 1032 N N . ASN A 1 133 ? -79.572 -36.356 134.477 1.00 14.11 ? 132 ASN A N 1 |
|
ATOM 1033 C CA . ASN A 1 133 ? -78.512 -36.229 133.465 1.00 14.65 ? 132 ASN A CA 1 |
|
ATOM 1034 C C . ASN A 1 133 ? -78.990 -35.462 132.257 1.00 14.66 ? 132 ASN A C 1 |
|
ATOM 1035 O O . ASN A 1 133 ? -78.292 -34.569 131.776 1.00 14.72 ? 132 ASN A O 1 |
|
ATOM 1036 C CB . ASN A 1 133 ? -77.993 -37.583 132.932 1.00 16.94 ? 132 ASN A CB 1 |
|
ATOM 1037 C CG . ASN A 1 133 ? -76.895 -38.160 133.733 1.00 24.18 ? 132 ASN A CG 1 |
|
ATOM 1038 O OD1 . ASN A 1 133 ? -76.519 -37.659 134.808 1.00 30.26 ? 132 ASN A OD1 1 |
|
ATOM 1039 N ND2 . ASN A 1 133 ? -76.384 -39.301 133.263 1.00 24.71 ? 132 ASN A ND2 1 |
|
ATOM 1040 N N . LYS A 1 134 ? -80.152 -35.847 131.747 1.00 13.22 ? 133 LYS A N 1 |
|
ATOM 1041 C CA . LYS A 1 134 ? -80.712 -35.125 130.647 1.00 13.81 ? 133 LYS A CA 1 |
|
ATOM 1042 C C . LYS A 1 134 ? -80.906 -33.663 130.912 1.00 13.50 ? 133 LYS A C 1 |
|
ATOM 1043 O O . LYS A 1 134 ? -80.611 -32.864 130.021 1.00 13.17 ? 133 LYS A O 1 |
|
ATOM 1044 C CB . LYS A 1 134 ? -81.999 -35.695 130.129 1.00 17.13 ? 133 LYS A CB 1 |
|
ATOM 1045 C CG . LYS A 1 134 ? -81.806 -36.973 129.331 1.00 19.49 ? 133 LYS A CG 1 |
|
ATOM 1046 C CD . LYS A 1 134 ? -83.108 -37.622 128.885 1.00 20.97 ? 133 LYS A CD 1 |
|
ATOM 1047 C CE . LYS A 1 134 ? -83.818 -36.787 127.867 1.00 26.21 ? 133 LYS A CE 1 |
|
ATOM 1048 N NZ . LYS A 1 134 ? -84.993 -37.431 127.174 1.00 30.82 ? 133 LYS A NZ 1 |
|
ATOM 1049 N N . ALA A 1 135 ? -81.477 -33.298 132.066 1.00 12.60 ? 134 ALA A N 1 |
|
ATOM 1050 C CA . ALA A 1 135 ? -81.655 -31.887 132.404 1.00 13.36 ? 134 ALA A CA 1 |
|
ATOM 1051 C C . ALA A 1 135 ? -80.346 -31.122 132.435 1.00 13.17 ? 134 ALA A C 1 |
|
ATOM 1052 O O . ALA A 1 135 ? -80.309 -29.962 131.994 1.00 12.88 ? 134 ALA A O 1 |
|
ATOM 1053 C CB . ALA A 1 135 ? -82.337 -31.720 133.721 1.00 13.33 ? 134 ALA A CB 1 |
|
ATOM 1054 N N . LEU A 1 136 ? -79.306 -31.750 132.988 1.00 11.72 ? 135 LEU A N 1 |
|
ATOM 1055 C CA . LEU A 1 136 ? -78.011 -31.093 133.107 1.00 13.48 ? 135 LEU A CA 1 |
|
ATOM 1056 C C . LEU A 1 136 ? -77.341 -31.002 131.752 1.00 13.82 ? 135 LEU A C 1 |
|
ATOM 1057 O O . LEU A 1 136 ? -76.631 -30.028 131.493 1.00 14.91 ? 135 LEU A O 1 |
|
ATOM 1058 C CB . LEU A 1 136 ? -77.103 -31.777 134.134 1.00 14.73 ? 135 LEU A CB 1 |
|
ATOM 1059 C CG . LEU A 1 136 ? -77.613 -31.722 135.568 1.00 15.82 ? 135 LEU A CG 1 |
|
ATOM 1060 C CD1 . LEU A 1 136 ? -76.819 -32.682 136.490 1.00 17.14 ? 135 LEU A CD1 1 |
|
ATOM 1061 C CD2 . LEU A 1 136 ? -77.606 -30.347 136.190 1.00 16.95 ? 135 LEU A CD2 1 |
|
ATOM 1062 N N . GLU A 1 137 ? -77.544 -32.000 130.903 1.00 13.58 ? 136 GLU A N 1 |
|
ATOM 1063 C CA . GLU A 1 137 ? -77.044 -31.928 129.520 1.00 13.67 ? 136 GLU A CA 1 |
|
ATOM 1064 C C . GLU A 1 137 ? -77.687 -30.772 128.777 1.00 13.06 ? 136 GLU A C 1 |
|
ATOM 1065 O O . GLU A 1 137 ? -77.038 -30.031 128.020 1.00 12.17 ? 136 GLU A O 1 |
|
ATOM 1066 C CB . GLU A 1 137 ? -77.240 -33.269 128.816 1.00 14.90 ? 136 GLU A CB 1 |
|
ATOM 1067 C CG . GLU A 1 137 ? -76.263 -34.342 129.330 1.00 17.74 ? 136 GLU A CG 1 |
|
ATOM 1068 C CD . GLU A 1 137 ? -76.710 -35.803 129.191 1.00 19.48 ? 136 GLU A CD 1 |
|
ATOM 1069 O OE1 . GLU A 1 137 ? -77.787 -36.117 128.615 1.00 20.79 ? 136 GLU A OE1 1 |
|
ATOM 1070 O OE2 . GLU A 1 137 ? -76.005 -36.656 129.802 1.00 26.00 ? 136 GLU A OE2 1 |
|
ATOM 1071 N N . LEU A 1 138 ? -78.989 -30.596 128.976 1.00 13.50 ? 137 LEU A N 1 |
|
ATOM 1072 C CA . LEU A 1 138 ? -79.748 -29.550 128.281 1.00 13.74 ? 137 LEU A CA 1 |
|
ATOM 1073 C C . LEU A 1 138 ? -79.209 -28.185 128.721 1.00 12.45 ? 137 LEU A C 1 |
|
ATOM 1074 O O . LEU A 1 138 ? -78.966 -27.322 127.892 1.00 14.61 ? 137 LEU A O 1 |
|
ATOM 1075 C CB . LEU A 1 138 ? -81.244 -29.705 128.564 1.00 13.99 ? 137 LEU A CB 1 |
|
ATOM 1076 C CG . LEU A 1 138 ? -82.097 -28.589 127.922 1.00 14.28 ? 137 LEU A CG 1 |
|
ATOM 1077 C CD1 . LEU A 1 138 ? -81.970 -28.639 126.395 1.00 16.04 ? 137 LEU A CD1 1 |
|
ATOM 1078 C CD2 . LEU A 1 138 ? -83.507 -28.755 128.416 1.00 14.50 ? 137 LEU A CD2 1 |
|
ATOM 1079 N N . PHE A 1 139 ? -79.029 -27.983 130.032 1.00 12.18 ? 138 PHE A N 1 |
|
ATOM 1080 C CA . PHE A 1 139 ? -78.415 -26.775 130.578 1.00 14.09 ? 138 PHE A CA 1 |
|
ATOM 1081 C C . PHE A 1 139 ? -77.053 -26.499 129.945 1.00 14.01 ? 138 PHE A C 1 |
|
ATOM 1082 O O . PHE A 1 139 ? -76.784 -25.386 129.519 1.00 13.93 ? 138 PHE A O 1 |
|
ATOM 1083 C CB . PHE A 1 139 ? -78.279 -26.961 132.083 1.00 14.97 ? 138 PHE A CB 1 |
|
ATOM 1084 C CG . PHE A 1 139 ? -77.448 -25.913 132.793 1.00 17.01 ? 138 PHE A CG 1 |
|
ATOM 1085 C CD1 . PHE A 1 139 ? -78.024 -24.730 133.190 1.00 19.47 ? 138 PHE A CD1 1 |
|
ATOM 1086 C CD2 . PHE A 1 139 ? -76.140 -26.179 133.170 1.00 19.15 ? 138 PHE A CD2 1 |
|
ATOM 1087 C CE1 . PHE A 1 139 ? -77.286 -23.783 133.912 1.00 23.13 ? 138 PHE A CE1 1 |
|
ATOM 1088 C CE2 . PHE A 1 139 ? -75.355 -25.227 133.867 1.00 22.58 ? 138 PHE A CE2 1 |
|
ATOM 1089 C CZ . PHE A 1 139 ? -75.949 -24.019 134.237 1.00 24.44 ? 138 PHE A CZ 1 |
|
ATOM 1090 N N . ARG A 1 140 ? -76.204 -27.517 129.867 1.00 13.72 ? 139 ARG A N 1 |
|
ATOM 1091 C CA . ARG A 1 140 ? -74.864 -27.337 129.269 1.00 14.60 ? 139 ARG A CA 1 |
|
ATOM 1092 C C . ARG A 1 140 ? -74.901 -27.014 127.799 1.00 14.43 ? 139 ARG A C 1 |
|
ATOM 1093 O O . ARG A 1 140 ? -74.166 -26.124 127.322 1.00 17.37 ? 139 ARG A O 1 |
|
ATOM 1094 C CB . ARG A 1 140 ? -74.016 -28.581 129.454 1.00 15.51 ? 139 ARG A CB 1 |
|
ATOM 1095 C CG . ARG A 1 140 ? -73.591 -28.849 130.839 1.00 20.17 ? 139 ARG A CG 1 |
|
ATOM 1096 C CD . ARG A 1 140 ? -72.256 -29.614 130.882 1.00 20.59 ? 139 ARG A CD 1 |
|
ATOM 1097 N NE . ARG A 1 140 ? -72.262 -30.885 130.136 1.00 20.74 ? 139 ARG A NE 1 |
|
ATOM 1098 C CZ . ARG A 1 140 ? -72.835 -31.987 130.584 1.00 20.51 ? 139 ARG A CZ 1 |
|
ATOM 1099 N NH1 . ARG A 1 140 ? -73.477 -32.032 131.746 1.00 20.08 ? 139 ARG A NH1 1 |
|
ATOM 1100 N NH2 . ARG A 1 140 ? -72.783 -33.087 129.846 1.00 19.04 ? 139 ARG A NH2 1 |
|
ATOM 1101 N N . LYS A 1 141 ? -75.775 -27.691 127.069 1.00 14.09 ? 140 LYS A N 1 |
|
ATOM 1102 C CA . LYS A 1 141 ? -75.952 -27.414 125.612 1.00 16.38 ? 140 LYS A CA 1 |
|
ATOM 1103 C C . LYS A 1 141 ? -76.356 -25.946 125.358 1.00 16.26 ? 140 LYS A C 1 |
|
ATOM 1104 O O . LYS A 1 141 ? -75.819 -25.254 124.457 1.00 14.62 ? 140 LYS A O 1 |
|
ATOM 1105 C CB . LYS A 1 141 ? -76.990 -28.365 125.015 1.00 19.62 ? 140 LYS A CB 1 |
|
ATOM 1106 C CG . LYS A 1 141 ? -77.343 -28.090 123.563 1.00 24.23 ? 140 LYS A CG 1 |
|
ATOM 1107 C CD . LYS A 1 141 ? -78.441 -29.020 123.032 1.00 30.51 ? 140 LYS A CD 1 |
|
ATOM 1108 C CE . LYS A 1 141 ? -79.355 -28.314 122.020 1.00 42.44 ? 140 LYS A CE 1 |
|
ATOM 1109 N NZ . LYS A 1 141 ? -79.348 -28.816 120.603 1.00 52.45 ? 140 LYS A NZ 1 |
|
ATOM 1110 N N . ASP A 1 142 ? -77.270 -25.467 126.176 1.00 15.63 ? 141 ASP A N 1 |
|
ATOM 1111 C CA . ASP A 1 142 ? -77.852 -24.144 125.963 1.00 15.61 ? 141 ASP A CA 1 |
|
ATOM 1112 C C . ASP A 1 142 ? -76.901 -23.068 126.407 1.00 15.80 ? 141 ASP A C 1 |
|
ATOM 1113 O O . ASP A 1 142 ? -76.771 -22.052 125.730 1.00 16.87 ? 141 ASP A O 1 |
|
ATOM 1114 C CB . ASP A 1 142 ? -79.226 -23.995 126.617 1.00 16.61 ? 141 ASP A CB 1 |
|
ATOM 1115 C CG . ASP A 1 142 ? -80.338 -24.766 125.883 1.00 16.91 ? 141 ASP A CG 1 |
|
ATOM 1116 O OD1 . ASP A 1 142 ? -80.086 -25.249 124.721 1.00 17.11 ? 141 ASP A OD1 1 |
|
ATOM 1117 O OD2 . ASP A 1 142 ? -81.438 -24.876 126.410 1.00 16.19 ? 141 ASP A OD2 1 |
|
ATOM 1118 N N . ILE A 1 143 ? -76.182 -23.289 127.478 1.00 17.00 ? 142 ILE A N 1 |
|
ATOM 1119 C CA . ILE A 1 143 ? -75.095 -22.342 127.868 1.00 19.02 ? 142 ILE A CA 1 |
|
ATOM 1120 C C . ILE A 1 143 ? -73.959 -22.318 126.816 1.00 18.38 ? 142 ILE A C 1 |
|
ATOM 1121 O O . ILE A 1 143 ? -73.383 -21.236 126.436 1.00 18.74 ? 142 ILE A O 1 |
|
ATOM 1122 C CB . ILE A 1 143 ? -74.408 -22.754 129.229 1.00 21.67 ? 142 ILE A CB 1 |
|
ATOM 1123 C CG1 . ILE A 1 143 ? -75.284 -22.384 130.403 1.00 25.58 ? 142 ILE A CG1 1 |
|
ATOM 1124 C CG2 . ILE A 1 143 ? -73.047 -22.021 129.364 1.00 24.24 ? 142 ILE A CG2 1 |
|
ATOM 1125 C CD1 . ILE A 1 143 ? -74.759 -21.234 131.290 1.00 25.40 ? 142 ILE A CD1 1 |
|
ATOM 1126 N N . ALA A 1 144 ? -73.607 -23.533 126.367 1.00 16.20 ? 143 ALA A N 1 |
|
ATOM 1127 C CA . ALA A 1 144 ? -72.508 -23.736 125.381 1.00 17.35 ? 143 ALA A CA 1 |
|
ATOM 1128 C C . ALA A 1 144 ? -72.760 -22.942 124.099 1.00 18.94 ? 143 ALA A C 1 |
|
ATOM 1129 O O . ALA A 1 144 ? -71.806 -22.379 123.497 1.00 20.81 ? 143 ALA A O 1 |
|
ATOM 1130 C CB . ALA A 1 144 ? -72.315 -25.220 125.096 1.00 17.32 ? 143 ALA A CB 1 |
|
ATOM 1131 N N . ALA A 1 145 ? -74.006 -22.876 123.680 1.00 18.79 ? 144 ALA A N 1 |
|
ATOM 1132 C CA . ALA A 1 145 ? -74.376 -22.115 122.471 1.00 19.90 ? 144 ALA A CA 1 |
|
ATOM 1133 C C . ALA A 1 145 ? -74.038 -20.632 122.672 1.00 20.13 ? 144 ALA A C 1 |
|
ATOM 1134 O O . ALA A 1 145 ? -73.511 -20.000 121.754 1.00 24.01 ? 144 ALA A O 1 |
|
ATOM 1135 C CB . ALA A 1 145 ? -75.846 -22.249 122.166 1.00 19.64 ? 144 ALA A CB 1 |
|
ATOM 1136 N N . LYS A 1 146 ? -74.299 -20.115 123.872 1.00 22.12 ? 145 LYS A N 1 |
|
ATOM 1137 C CA . LYS A 1 146 ? -73.981 -18.675 124.166 1.00 25.27 ? 145 LYS A CA 1 |
|
ATOM 1138 C C . LYS A 1 146 ? -72.489 -18.459 124.263 1.00 25.21 ? 145 LYS A C 1 |
|
ATOM 1139 O O . LYS A 1 146 ? -71.966 -17.490 123.710 1.00 25.18 ? 145 LYS A O 1 |
|
ATOM 1140 C CB . LYS A 1 146 ? -74.673 -18.176 125.410 1.00 29.55 ? 145 LYS A CB 1 |
|
ATOM 1141 C CG . LYS A 1 146 ? -76.148 -18.596 125.568 1.00 33.67 ? 145 LYS A CG 1 |
|
ATOM 1142 C CD . LYS A 1 146 ? -77.207 -17.481 125.546 1.00 41.60 ? 145 LYS A CD 1 |
|
ATOM 1143 C CE . LYS A 1 146 ? -78.425 -17.959 126.332 1.00 44.64 ? 145 LYS A CE 1 |
|
ATOM 1144 N NZ . LYS A 1 146 ? -79.723 -17.268 126.095 1.00 50.64 ? 145 LYS A NZ 1 |
|
ATOM 1145 N N . TYR A 1 147 ? -71.787 -19.354 124.948 1.00 21.31 ? 146 TYR A N 1 |
|
ATOM 1146 C CA . TYR A 1 147 ? -70.313 -19.362 124.863 1.00 20.98 ? 146 TYR A CA 1 |
|
ATOM 1147 C C . TYR A 1 147 ? -69.718 -19.313 123.409 1.00 23.53 ? 146 TYR A C 1 |
|
ATOM 1148 O O . TYR A 1 147 ? -68.701 -18.623 123.120 1.00 22.67 ? 146 TYR A O 1 |
|
ATOM 1149 C CB . TYR A 1 147 ? -69.736 -20.587 125.529 1.00 20.82 ? 146 TYR A CB 1 |
|
ATOM 1150 C CG . TYR A 1 147 ? -69.477 -20.527 127.028 1.00 17.36 ? 146 TYR A CG 1 |
|
ATOM 1151 C CD1 . TYR A 1 147 ? -70.464 -20.241 127.935 1.00 19.39 ? 146 TYR A CD1 1 |
|
ATOM 1152 C CD2 . TYR A 1 147 ? -68.235 -20.844 127.494 1.00 19.88 ? 146 TYR A CD2 1 |
|
ATOM 1153 C CE1 . TYR A 1 147 ? -70.190 -20.218 129.290 1.00 18.91 ? 146 TYR A CE1 1 |
|
ATOM 1154 C CE2 . TYR A 1 147 ? -67.951 -20.853 128.827 1.00 19.23 ? 146 TYR A CE2 1 |
|
ATOM 1155 C CZ . TYR A 1 147 ? -68.964 -20.571 129.725 1.00 20.69 ? 146 TYR A CZ 1 |
|
ATOM 1156 O OH . TYR A 1 147 ? -68.675 -20.602 131.069 1.00 20.02 ? 146 TYR A OH 1 |
|
ATOM 1157 N N . LYS A 1 148 ? -70.277 -20.155 122.533 1.00 24.43 ? 147 LYS A N 1 |
|
ATOM 1158 C CA . LYS A 1 148 ? -69.801 -20.284 121.170 1.00 26.41 ? 147 LYS A CA 1 |
|
ATOM 1159 C C . LYS A 1 148 ? -70.012 -18.965 120.439 1.00 29.57 ? 147 LYS A C 1 |
|
ATOM 1160 O O . LYS A 1 148 ? -69.102 -18.487 119.690 1.00 28.56 ? 147 LYS A O 1 |
|
ATOM 1161 C CB . LYS A 1 148 ? -70.522 -21.449 120.445 1.00 28.74 ? 147 LYS A CB 1 |
|
ATOM 1162 C CG . LYS A 1 148 ? -69.997 -21.695 119.012 1.00 30.34 ? 147 LYS A CG 1 |
|
ATOM 1163 C CD . LYS A 1 148 ? -70.696 -22.851 118.276 1.00 29.01 ? 147 LYS A CD 1 |
|
ATOM 1164 C CE . LYS A 1 148 ? -70.214 -22.982 116.814 1.00 33.74 ? 147 LYS A CE 1 |
|
ATOM 1165 N NZ . LYS A 1 148 ? -70.685 -21.865 115.947 1.00 34.66 ? 147 LYS A NZ 1 |
|
ATOM 1166 N N . GLU A 1 149 ? -71.178 -18.385 120.663 1.00 26.76 ? 148 GLU A N 1 |
|
ATOM 1167 C CA . GLU A 1 149 ? -71.482 -17.097 120.122 1.00 32.99 ? 148 GLU A CA 1 |
|
ATOM 1168 C C . GLU A 1 149 ? -70.337 -16.089 120.386 1.00 35.51 ? 148 GLU A C 1 |
|
ATOM 1169 O O . GLU A 1 149 ? -69.747 -15.522 119.413 1.00 38.03 ? 148 GLU A O 1 |
|
ATOM 1170 C CB . GLU A 1 149 ? -72.784 -16.604 120.719 1.00 32.16 ? 148 GLU A CB 1 |
|
ATOM 1171 C CG . GLU A 1 149 ? -73.148 -15.241 120.202 1.00 35.54 ? 148 GLU A CG 1 |
|
ATOM 1172 C CD . GLU A 1 149 ? -74.305 -14.665 120.936 1.00 39.62 ? 148 GLU A CD 1 |
|
ATOM 1173 O OE1 . GLU A 1 149 ? -74.169 -13.507 121.412 1.00 45.30 ? 148 GLU A OE1 1 |
|
ATOM 1174 O OE2 . GLU A 1 149 ? -75.312 -15.398 121.061 1.00 38.20 ? 148 GLU A OE2 1 |
|
ATOM 1175 N N . LEU A 1 150 ? -69.993 -15.961 121.678 1.00 31.15 ? 149 LEU A N 1 |
|
ATOM 1176 C CA . LEU A 1 150 ? -68.926 -15.027 122.216 1.00 30.47 ? 149 LEU A CA 1 |
|
ATOM 1177 C C . LEU A 1 150 ? -67.448 -15.401 121.982 1.00 29.57 ? 149 LEU A C 1 |
|
ATOM 1178 O O . LEU A 1 150 ? -66.541 -14.684 122.435 1.00 31.37 ? 149 LEU A O 1 |
|
ATOM 1179 C CB . LEU A 1 150 ? -69.172 -14.866 123.710 1.00 31.31 ? 149 LEU A CB 1 |
|
ATOM 1180 C CG . LEU A 1 150 ? -70.581 -14.296 124.017 1.00 30.47 ? 149 LEU A CG 1 |
|
ATOM 1181 C CD1 . LEU A 1 150 ? -70.982 -14.403 125.471 1.00 32.54 ? 149 LEU A CD1 1 |
|
ATOM 1182 C CD2 . LEU A 1 150 ? -70.677 -12.870 123.505 1.00 30.14 ? 149 LEU A CD2 1 |
|
ATOM 1183 N N . GLY A 1 151 ? -67.175 -16.509 121.293 1.00 28.19 ? 150 GLY A N 1 |
|
ATOM 1184 C CA . GLY A 1 151 ? -65.806 -16.918 120.933 1.00 27.90 ? 150 GLY A CA 1 |
|
ATOM 1185 C C . GLY A 1 151 ? -65.113 -17.768 121.970 1.00 27.82 ? 150 GLY A C 1 |
|
ATOM 1186 O O . GLY A 1 151 ? -63.896 -17.928 121.874 1.00 28.55 ? 150 GLY A O 1 |
|
ATOM 1187 N N . TYR A 1 152 ? -65.892 -18.356 122.916 1.00 27.45 ? 151 TYR A N 1 |
|
ATOM 1188 C CA . TYR A 1 152 ? -65.375 -19.123 124.084 1.00 29.80 ? 151 TYR A CA 1 |
|
ATOM 1189 C C . TYR A 1 152 ? -65.586 -20.650 124.050 1.00 31.25 ? 151 TYR A C 1 |
|
ATOM 1190 O O . TYR A 1 152 ? -66.363 -21.116 123.250 1.00 33.99 ? 151 TYR A O 1 |
|
ATOM 1191 C CB . TYR A 1 152 ? -66.070 -18.596 125.382 1.00 31.56 ? 151 TYR A CB 1 |
|
ATOM 1192 C CG . TYR A 1 152 ? -65.554 -17.250 125.841 1.00 32.54 ? 151 TYR A CG 1 |
|
ATOM 1193 C CD1 . TYR A 1 152 ? -64.485 -17.191 126.736 1.00 32.39 ? 151 TYR A CD1 1 |
|
ATOM 1194 C CD2 . TYR A 1 152 ? -66.131 -16.041 125.398 1.00 28.84 ? 151 TYR A CD2 1 |
|
ATOM 1195 C CE1 . TYR A 1 152 ? -63.971 -15.976 127.147 1.00 30.05 ? 151 TYR A CE1 1 |
|
ATOM 1196 C CE2 . TYR A 1 152 ? -65.630 -14.838 125.826 1.00 30.15 ? 151 TYR A CE2 1 |
|
ATOM 1197 C CZ . TYR A 1 152 ? -64.554 -14.825 126.694 1.00 30.35 ? 151 TYR A CZ 1 |
|
ATOM 1198 O OH . TYR A 1 152 ? -64.003 -13.661 127.170 1.00 32.78 ? 151 TYR A OH 1 |
|
HETATM 1199 C CHA . HEM B 2 . ? -70.785 -16.841 140.461 1.00 12.34 ? 200 HEM A CHA 1 |
|
HETATM 1200 C CHB . HEM B 2 . ? -74.316 -19.957 139.242 1.00 12.28 ? 200 HEM A CHB 1 |
|
HETATM 1201 C CHC . HEM B 2 . ? -70.989 -23.119 137.745 1.00 13.30 ? 200 HEM A CHC 1 |
|
HETATM 1202 C CHD . HEM B 2 . ? -67.531 -20.126 139.038 1.00 13.68 ? 200 HEM A CHD 1 |
|
HETATM 1203 C C1A . HEM B 2 . ? -72.028 -17.408 140.230 1.00 12.53 ? 200 HEM A C1A 1 |
|
HETATM 1204 C C2A . HEM B 2 . ? -73.285 -16.764 140.465 1.00 12.20 ? 200 HEM A C2A 1 |
|
HETATM 1205 C C3A . HEM B 2 . ? -74.268 -17.648 140.197 1.00 13.51 ? 200 HEM A C3A 1 |
|
HETATM 1206 C C4A . HEM B 2 . ? -73.652 -18.841 139.704 1.00 12.07 ? 200 HEM A C4A 1 |
|
HETATM 1207 C CMA . HEM B 2 . ? -75.775 -17.355 140.330 1.00 12.25 ? 200 HEM A CMA 1 |
|
HETATM 1208 C CAA . HEM B 2 . ? -73.416 -15.354 140.966 1.00 13.69 ? 200 HEM A CAA 1 |
|
HETATM 1209 C CBA . HEM B 2 . ? -73.840 -14.471 139.809 1.00 15.40 ? 200 HEM A CBA 1 |
|
HETATM 1210 C CGA . HEM B 2 . ? -72.914 -14.421 138.618 1.00 17.06 ? 200 HEM A CGA 1 |
|
HETATM 1211 O O1A . HEM B 2 . ? -73.363 -14.740 137.470 1.00 18.39 ? 200 HEM A O1A 1 |
|
HETATM 1212 O O2A . HEM B 2 . ? -71.734 -14.020 138.721 1.00 16.72 ? 200 HEM A O2A 1 |
|
HETATM 1213 C C1B . HEM B 2 . ? -73.721 -21.081 138.713 1.00 12.72 ? 200 HEM A C1B 1 |
|
HETATM 1214 C C2B . HEM B 2 . ? -74.434 -22.200 138.254 1.00 13.39 ? 200 HEM A C2B 1 |
|
HETATM 1215 C C3B . HEM B 2 . ? -73.508 -23.074 137.761 1.00 14.01 ? 200 HEM A C3B 1 |
|
HETATM 1216 C C4B . HEM B 2 . ? -72.193 -22.505 138.039 1.00 13.92 ? 200 HEM A C4B 1 |
|
HETATM 1217 C CMB . HEM B 2 . ? -75.953 -22.404 138.206 1.00 13.29 ? 200 HEM A CMB 1 |
|
HETATM 1218 C CAB . HEM B 2 . ? -73.696 -24.444 137.268 1.00 14.62 ? 200 HEM A CAB 1 |
|
HETATM 1219 C CBB . HEM B 2 . ? -74.679 -25.240 137.604 1.00 17.76 ? 200 HEM A CBB 1 |
|
HETATM 1220 C C1C . HEM B 2 . ? -69.741 -22.605 137.956 1.00 13.03 ? 200 HEM A C1C 1 |
|
HETATM 1221 C C2C . HEM B 2 . ? -68.565 -23.346 137.828 1.00 13.62 ? 200 HEM A C2C 1 |
|
HETATM 1222 C C3C . HEM B 2 . ? -67.548 -22.522 138.261 1.00 13.06 ? 200 HEM A C3C 1 |
|
HETATM 1223 C C4C . HEM B 2 . ? -68.162 -21.255 138.566 1.00 13.64 ? 200 HEM A C4C 1 |
|
HETATM 1224 C CMC . HEM B 2 . ? -68.500 -24.774 137.409 1.00 12.91 ? 200 HEM A CMC 1 |
|
HETATM 1225 C CAC . HEM B 2 . ? -66.069 -22.726 138.352 1.00 14.08 ? 200 HEM A CAC 1 |
|
HETATM 1226 C CBC . HEM B 2 . ? -65.455 -23.820 138.110 1.00 16.03 ? 200 HEM A CBC 1 |
|
HETATM 1227 C C1D . HEM B 2 . ? -68.176 -18.970 139.497 1.00 14.02 ? 200 HEM A C1D 1 |
|
HETATM 1228 C C2D . HEM B 2 . ? -67.420 -17.837 140.059 1.00 14.83 ? 200 HEM A C2D 1 |
|
HETATM 1229 C C3D . HEM B 2 . ? -68.307 -16.945 140.458 1.00 14.00 ? 200 HEM A C3D 1 |
|
HETATM 1230 C C4D . HEM B 2 . ? -69.613 -17.537 140.134 1.00 12.98 ? 200 HEM A C4D 1 |
|
HETATM 1231 C CMD . HEM B 2 . ? -65.919 -17.690 140.184 1.00 14.81 ? 200 HEM A CMD 1 |
|
HETATM 1232 C CAD . HEM B 2 . ? -68.067 -15.641 141.163 1.00 14.49 ? 200 HEM A CAD 1 |
|
HETATM 1233 C CBD . HEM B 2 . ? -68.016 -15.914 142.685 1.00 16.45 ? 200 HEM A CBD 1 |
|
HETATM 1234 C CGD . HEM B 2 . ? -67.703 -14.726 143.602 1.00 18.03 ? 200 HEM A CGD 1 |
|
HETATM 1235 O O1D . HEM B 2 . ? -66.532 -14.225 143.554 1.00 16.18 ? 200 HEM A O1D 1 |
|
HETATM 1236 O O2D . HEM B 2 . ? -68.575 -14.263 144.407 1.00 17.06 ? 200 HEM A O2D 1 |
|
HETATM 1237 N NA . HEM B 2 . ? -72.284 -18.679 139.733 1.00 12.37 ? 200 HEM A NA 1 |
|
HETATM 1238 N NB . HEM B 2 . ? -72.393 -21.311 138.578 1.00 13.32 ? 200 HEM A NB 1 |
|
HETATM 1239 N NC . HEM B 2 . ? -69.490 -21.394 138.437 1.00 12.85 ? 200 HEM A NC 1 |
|
HETATM 1240 N ND . HEM B 2 . ? -69.519 -18.767 139.570 1.00 11.94 ? 200 HEM A ND 1 |
|
HETATM 1241 FE FE . HEM B 2 . ? -70.905 -19.982 139.095 1.00 13.68 ? 200 HEM A FE 1 |
|
HETATM 1242 O O1 . NSM C 3 . ? -70.591 -19.969 141.850 1.00 17.91 ? 201 NSM A O1 1 |
|
HETATM 1243 N N . NSM C 3 . ? -70.735 -20.730 140.879 1.00 14.64 ? 201 NSM A N 1 |
|
HETATM 1244 C C1 . NSM C 3 . ? -70.443 -22.146 141.113 1.00 16.67 ? 201 NSM A C1 1 |
|
HETATM 1245 S S . SO4 D 4 . ? -65.739 -18.276 156.358 1.00 17.53 ? 202 SO4 A S 1 |
|
HETATM 1246 O O1 . SO4 D 4 . ? -66.793 -17.760 155.547 1.00 21.06 ? 202 SO4 A O1 1 |
|
HETATM 1247 O O2 . SO4 D 4 . ? -65.019 -19.043 155.310 1.00 26.82 ? 202 SO4 A O2 1 |
|
HETATM 1248 O O3 . SO4 D 4 . ? -66.189 -19.244 157.406 1.00 16.10 ? 202 SO4 A O3 1 |
|
HETATM 1249 O O4 . SO4 D 4 . ? -64.608 -17.504 156.795 1.00 20.35 ? 202 SO4 A O4 1 |
|
HETATM 1250 O O . HOH E 5 . ? -79.364 -35.573 126.897 1.00 28.82 ? 301 HOH A O 1 |
|
HETATM 1251 O O . HOH E 5 . ? -82.768 -33.766 151.460 1.00 28.03 ? 302 HOH A O 1 |
|
HETATM 1252 O O . HOH E 5 . ? -62.704 -19.989 155.197 1.00 19.23 ? 303 HOH A O 1 |
|
HETATM 1253 O O . HOH E 5 . ? -86.994 -17.961 130.662 1.00 23.58 ? 304 HOH A O 1 |
|
HETATM 1254 O O . HOH E 5 . ? -65.572 -12.187 144.758 1.00 24.33 ? 305 HOH A O 1 |
|
HETATM 1255 O O . HOH E 5 . ? -62.305 -16.543 137.619 1.00 27.48 ? 306 HOH A O 1 |
|
HETATM 1256 O O . HOH E 5 . ? -78.655 -21.236 124.178 1.00 24.43 ? 307 HOH A O 1 |
|
HETATM 1257 O O . HOH E 5 . ? -62.883 -22.528 156.892 1.00 19.30 ? 308 HOH A O 1 |
|
HETATM 1258 O O . HOH E 5 . ? -88.337 -30.644 149.926 1.00 17.43 ? 309 HOH A O 1 |
|
HETATM 1259 O O . HOH E 5 . ? -80.028 -39.830 130.710 1.00 16.15 ? 310 HOH A O 1 |
|
HETATM 1260 O O . HOH E 5 . ? -87.275 -42.557 141.059 1.00 27.44 ? 311 HOH A O 1 |
|
HETATM 1261 O O . HOH E 5 . ? -92.366 -30.543 129.468 1.00 30.17 ? 312 HOH A O 1 |
|
HETATM 1262 O O . HOH E 5 . ? -59.497 -32.265 136.587 1.00 21.72 ? 313 HOH A O 1 |
|
HETATM 1263 O O . HOH E 5 . ? -64.908 -16.739 151.139 1.00 16.16 ? 314 HOH A O 1 |
|
HETATM 1264 O O . HOH E 5 . ? -78.805 -38.551 128.612 1.00 25.53 ? 315 HOH A O 1 |
|
HETATM 1265 O O . HOH E 5 . ? -80.066 -45.620 140.987 1.00 25.63 ? 316 HOH A O 1 |
|
HETATM 1266 O O . HOH E 5 . ? -56.608 -25.536 143.574 1.00 20.08 ? 317 HOH A O 1 |
|
HETATM 1267 O O . HOH E 5 . ? -87.267 -18.201 136.788 1.00 26.09 ? 318 HOH A O 1 |
|
HETATM 1268 O O . HOH E 5 . ? -72.268 -18.745 143.543 1.00 25.99 ? 319 HOH A O 1 |
|
HETATM 1269 O O . HOH E 5 . ? -91.268 -27.813 129.203 1.00 21.05 ? 320 HOH A O 1 |
|
HETATM 1270 O O . HOH E 5 . ? -94.085 -33.214 134.339 1.00 21.36 ? 321 HOH A O 1 |
|
HETATM 1271 O O . HOH E 5 . ? -64.404 -28.754 159.098 1.00 19.64 ? 322 HOH A O 1 |
|
HETATM 1272 O O . HOH E 5 . ? -85.525 -27.689 154.881 1.00 19.73 ? 323 HOH A O 1 |
|
HETATM 1273 O O . HOH E 5 . ? -73.743 -35.718 130.989 1.00 24.57 ? 324 HOH A O 1 |
|
HETATM 1274 O O . HOH E 5 . ? -88.225 -20.814 137.880 1.00 18.02 ? 325 HOH A O 1 |
|
HETATM 1275 O O . HOH E 5 . ? -92.318 -39.034 136.428 1.00 27.72 ? 326 HOH A O 1 |
|
HETATM 1276 O O . HOH E 5 . ? -66.342 -35.189 128.142 1.00 25.01 ? 327 HOH A O 1 |
|
HETATM 1277 O O . HOH E 5 . ? -84.547 -26.057 132.525 1.00 13.55 ? 328 HOH A O 1 |
|
HETATM 1278 O O . HOH E 5 . ? -71.144 -13.846 143.557 1.00 21.36 ? 329 HOH A O 1 |
|
HETATM 1279 O O . HOH E 5 . ? -76.604 -28.757 156.187 1.00 32.13 ? 330 HOH A O 1 |
|
HETATM 1280 O O . HOH E 5 . ? -79.706 -44.842 136.034 1.00 23.85 ? 331 HOH A O 1 |
|
HETATM 1281 O O . HOH E 5 . ? -78.748 -45.317 138.503 1.00 21.76 ? 332 HOH A O 1 |
|
HETATM 1282 O O . HOH E 5 . ? -68.561 -33.430 148.946 1.00 18.23 ? 333 HOH A O 1 |
|
HETATM 1283 O O . HOH E 5 . ? -67.069 -17.977 159.679 1.00 20.96 ? 334 HOH A O 1 |
|
HETATM 1284 O O . HOH E 5 . ? -81.848 -26.740 123.226 1.00 23.86 ? 335 HOH A O 1 |
|
HETATM 1285 O O . HOH E 5 . ? -82.048 -12.578 130.259 1.00 17.77 ? 336 HOH A O 1 |
|
HETATM 1286 O O . HOH E 5 . ? -71.721 -40.927 145.576 1.00 21.15 ? 337 HOH A O 1 |
|
HETATM 1287 O O . HOH E 5 . ? -72.904 -16.245 147.330 1.00 14.92 ? 338 HOH A O 1 |
|
HETATM 1288 O O . HOH E 5 . ? -70.425 -15.214 154.150 1.00 16.07 ? 339 HOH A O 1 |
|
HETATM 1289 O O . HOH E 5 . ? -59.487 -16.634 149.140 1.00 17.33 ? 340 HOH A O 1 |
|
HETATM 1290 O O . HOH E 5 . ? -85.442 -41.565 142.965 1.00 24.39 ? 341 HOH A O 1 |
|
HETATM 1291 O O . HOH E 5 . ? -80.053 -24.241 153.173 1.00 18.08 ? 342 HOH A O 1 |
|
HETATM 1292 O O . HOH E 5 . ? -57.518 -28.184 158.062 1.00 17.33 ? 343 HOH A O 1 |
|
HETATM 1293 O O . HOH E 5 . ? -64.255 -15.811 143.281 1.00 21.17 ? 344 HOH A O 1 |
|
HETATM 1294 O O . HOH E 5 . ? -82.824 -21.199 147.880 1.00 20.87 ? 345 HOH A O 1 |
|
HETATM 1295 O O . HOH E 5 . ? -85.646 -41.303 133.101 1.00 17.75 ? 346 HOH A O 1 |
|
HETATM 1296 O O . HOH E 5 . ? -76.997 -14.733 146.120 1.00 14.53 ? 347 HOH A O 1 |
|
HETATM 1297 O O . HOH E 5 . ? -62.755 -15.257 141.044 1.00 21.10 ? 348 HOH A O 1 |
|
HETATM 1298 O O . HOH E 5 . ? -84.290 -40.123 131.168 1.00 18.01 ? 349 HOH A O 1 |
|
HETATM 1299 O O . HOH E 5 . ? -83.021 -47.338 141.102 1.00 21.78 ? 350 HOH A O 1 |
|
HETATM 1300 O O . HOH E 5 . ? -79.718 -44.693 145.480 1.00 16.29 ? 351 HOH A O 1 |
|
HETATM 1301 O O . HOH E 5 . ? -95.317 -28.255 131.006 1.00 28.71 ? 352 HOH A O 1 |
|
HETATM 1302 O O . HOH E 5 . ? -65.247 -23.478 127.133 1.00 21.83 ? 353 HOH A O 1 |
|
HETATM 1303 O O . HOH E 5 . ? -70.758 -12.857 141.109 1.00 27.36 ? 354 HOH A O 1 |
|
HETATM 1304 O O . HOH E 5 . ? -72.288 -35.418 150.218 1.00 26.30 ? 355 HOH A O 1 |
|
HETATM 1305 O O . HOH E 5 . ? -80.834 -33.320 127.230 1.00 18.85 ? 356 HOH A O 1 |
|
HETATM 1306 O O . HOH E 5 . ? -58.710 -28.378 145.829 1.00 25.33 ? 357 HOH A O 1 |
|
HETATM 1307 O O . HOH E 5 . ? -63.700 -17.404 153.402 1.00 16.78 ? 358 HOH A O 1 |
|
HETATM 1308 O O . HOH E 5 . ? -70.091 -13.568 150.105 1.00 21.13 ? 359 HOH A O 1 |
|
HETATM 1309 O O . HOH E 5 . ? -87.805 -41.668 129.745 1.00 26.07 ? 360 HOH A O 1 |
|
HETATM 1310 O O . HOH E 5 . ? -64.304 -26.668 127.827 1.00 19.89 ? 361 HOH A O 1 |
|
HETATM 1311 O O . HOH E 5 . ? -82.871 -25.889 152.611 1.00 17.26 ? 362 HOH A O 1 |
|
HETATM 1312 O O . HOH E 5 . ? -57.495 -32.643 145.545 1.00 24.02 ? 363 HOH A O 1 |
|
HETATM 1313 O O . HOH E 5 . ? -68.966 -16.111 156.445 1.00 15.40 ? 364 HOH A O 1 |
|
HETATM 1314 O O . HOH E 5 . ? -84.666 -21.941 143.343 1.00 23.68 ? 365 HOH A O 1 |
|
HETATM 1315 O O . HOH E 5 . ? -88.574 -29.217 143.044 1.00 21.14 ? 366 HOH A O 1 |
|
HETATM 1316 O O . HOH E 5 . ? -85.553 -46.328 138.532 1.00 24.11 ? 367 HOH A O 1 |
|
HETATM 1317 O O . HOH E 5 . ? -82.162 -27.757 131.703 1.00 23.15 ? 368 HOH A O 1 |
|
HETATM 1318 O O . HOH E 5 . ? -79.066 -17.253 143.232 1.00 14.62 ? 369 HOH A O 1 |
|
HETATM 1319 O O . HOH E 5 . ? -79.999 -34.354 152.375 1.00 23.90 ? 370 HOH A O 1 |
|
HETATM 1320 O O . HOH E 5 . ? -80.186 -25.860 155.184 1.00 22.88 ? 371 HOH A O 1 |
|
HETATM 1321 O O . HOH E 5 . ? -93.982 -38.430 129.936 1.00 23.77 ? 372 HOH A O 1 |
|
HETATM 1322 O O . HOH E 5 . ? -64.255 -18.847 129.570 1.00 29.41 ? 373 HOH A O 1 |
|
HETATM 1323 O O . HOH E 5 . ? -73.159 -38.079 152.447 1.00 30.36 ? 374 HOH A O 1 |
|
HETATM 1324 O O . HOH E 5 . ? -66.057 -12.354 141.287 1.00 25.61 ? 375 HOH A O 1 |
|
HETATM 1325 O O . HOH E 5 . ? -66.590 -32.831 140.035 1.00 20.54 ? 376 HOH A O 1 |
|
HETATM 1326 O O . HOH E 5 . ? -94.070 -35.526 127.437 1.00 23.97 ? 377 HOH A O 1 |
|
HETATM 1327 O O . HOH E 5 . ? -91.839 -23.100 131.829 1.00 30.14 ? 378 HOH A O 1 |
|
HETATM 1328 O O . HOH E 5 . ? -74.887 -40.587 153.854 1.00 24.88 ? 379 HOH A O 1 |
|
HETATM 1329 O O . HOH E 5 . ? -67.468 -36.038 140.555 1.00 21.70 ? 380 HOH A O 1 |
|
HETATM 1330 O O . HOH E 5 . ? -72.087 -13.656 147.990 1.00 22.12 ? 381 HOH A O 1 |
|
HETATM 1331 O O . HOH E 5 . ? -77.416 -36.345 154.782 1.00 26.32 ? 382 HOH A O 1 |
|
HETATM 1332 O O . HOH E 5 . ? -65.828 -8.791 128.513 1.00 26.64 ? 383 HOH A O 1 |
|
HETATM 1333 O O . HOH E 5 . ? -70.237 -35.638 148.813 1.00 29.42 ? 384 HOH A O 1 |
|
HETATM 1334 O O . HOH E 5 . ? -88.028 -42.054 132.440 1.00 25.80 ? 385 HOH A O 1 |
|
# |
|
loop_ |
|
_pdbx_poly_seq_scheme.asym_id |
|
_pdbx_poly_seq_scheme.entity_id |
|
_pdbx_poly_seq_scheme.seq_id |
|
_pdbx_poly_seq_scheme.mon_id |
|
_pdbx_poly_seq_scheme.ndb_seq_num |
|
_pdbx_poly_seq_scheme.pdb_seq_num |
|
_pdbx_poly_seq_scheme.auth_seq_num |
|
_pdbx_poly_seq_scheme.pdb_mon_id |
|
_pdbx_poly_seq_scheme.auth_mon_id |
|
_pdbx_poly_seq_scheme.pdb_strand_id |
|
_pdbx_poly_seq_scheme.pdb_ins_code |
|
_pdbx_poly_seq_scheme.hetero |
|
A 1 1 MET 1 0 ? ? ? A . n |
|
A 1 2 VAL 2 1 1 VAL VAL A . n |
|
A 1 3 LEU 3 2 2 LEU LEU A . n |
|
A 1 4 SER 4 3 3 SER SER A . n |
|
A 1 5 GLU 5 4 4 GLU GLU A . n |
|
A 1 6 GLY 6 5 5 GLY GLY A . n |
|
A 1 7 GLU 7 6 6 GLU GLU A . n |
|
A 1 8 TRP 8 7 7 TRP TRP A . n |
|
A 1 9 GLN 9 8 8 GLN GLN A . n |
|
A 1 10 LEU 10 9 9 LEU LEU A . n |
|
A 1 11 VAL 11 10 10 VAL VAL A . n |
|
A 1 12 LEU 12 11 11 LEU LEU A . n |
|
A 1 13 HIS 13 12 12 HIS HIS A . n |
|
A 1 14 VAL 14 13 13 VAL VAL A . n |
|
A 1 15 TRP 15 14 14 TRP TRP A . n |
|
A 1 16 ALA 16 15 15 ALA ALA A . n |
|
A 1 17 LYS 17 16 16 LYS LYS A . n |
|
A 1 18 VAL 18 17 17 VAL VAL A . n |
|
A 1 19 GLU 19 18 18 GLU GLU A . n |
|
A 1 20 ALA 20 19 19 ALA ALA A . n |
|
A 1 21 ASP 21 20 20 ASP ASP A . n |
|
A 1 22 VAL 22 21 21 VAL VAL A . n |
|
A 1 23 ALA 23 22 22 ALA ALA A . n |
|
A 1 24 GLY 24 23 23 GLY GLY A . n |
|
A 1 25 HIS 25 24 24 HIS HIS A . n |
|
A 1 26 GLY 26 25 25 GLY GLY A . n |
|
A 1 27 GLN 27 26 26 GLN GLN A . n |
|
A 1 28 ASP 28 27 27 ASP ASP A . n |
|
A 1 29 ILE 29 28 28 ILE ILE A . n |
|
A 1 30 LEU 30 29 29 LEU LEU A . n |
|
A 1 31 ILE 31 30 30 ILE ILE A . n |
|
A 1 32 ARG 32 31 31 ARG ARG A . n |
|
A 1 33 LEU 33 32 32 LEU LEU A . n |
|
A 1 34 PHE 34 33 33 PHE PHE A . n |
|
A 1 35 LYS 35 34 34 LYS LYS A . n |
|
A 1 36 SER 36 35 35 SER SER A . n |
|
A 1 37 HIS 37 36 36 HIS HIS A . n |
|
A 1 38 PRO 38 37 37 PRO PRO A . n |
|
A 1 39 GLU 39 38 38 GLU GLU A . n |
|
A 1 40 THR 40 39 39 THR THR A . n |
|
A 1 41 LEU 41 40 40 LEU LEU A . n |
|
A 1 42 GLU 42 41 41 GLU GLU A . n |
|
A 1 43 LYS 43 42 42 LYS LYS A . n |
|
A 1 44 PHE 44 43 43 PHE PHE A . n |
|
A 1 45 ASP 45 44 44 ASP ASP A . n |
|
A 1 46 ARG 46 45 45 ARG ARG A . n |
|
A 1 47 PHE 47 46 46 PHE PHE A . n |
|
A 1 48 LYS 48 47 47 LYS LYS A . n |
|
A 1 49 HIS 49 48 48 HIS HIS A . n |
|
A 1 50 LEU 50 49 49 LEU LEU A . n |
|
A 1 51 LYS 51 50 50 LYS LYS A . n |
|
A 1 52 THR 52 51 51 THR THR A . n |
|
A 1 53 GLU 53 52 52 GLU GLU A . n |
|
A 1 54 ALA 54 53 53 ALA ALA A . n |
|
A 1 55 GLU 55 54 54 GLU GLU A . n |
|
A 1 56 MET 56 55 55 MET MET A . n |
|
A 1 57 LYS 57 56 56 LYS LYS A . n |
|
A 1 58 ALA 58 57 57 ALA ALA A . n |
|
A 1 59 SER 59 58 58 SER SER A . n |
|
A 1 60 GLU 60 59 59 GLU GLU A . n |
|
A 1 61 ASP 61 60 60 ASP ASP A . n |
|
A 1 62 LEU 62 61 61 LEU LEU A . n |
|
A 1 63 LYS 63 62 62 LYS LYS A . n |
|
A 1 64 LYS 64 63 63 LYS LYS A . n |
|
A 1 65 ALA 65 64 64 ALA ALA A . n |
|
A 1 66 GLY 66 65 65 GLY GLY A . n |
|
A 1 67 VAL 67 66 66 VAL VAL A . n |
|
A 1 68 THR 68 67 67 THR THR A . n |
|
A 1 69 VAL 69 68 68 VAL VAL A . n |
|
A 1 70 LEU 70 69 69 LEU LEU A . n |
|
A 1 71 THR 71 70 70 THR THR A . n |
|
A 1 72 ALA 72 71 71 ALA ALA A . n |
|
A 1 73 LEU 73 72 72 LEU LEU A . n |
|
A 1 74 GLY 74 73 73 GLY GLY A . n |
|
A 1 75 ALA 75 74 74 ALA ALA A . n |
|
A 1 76 ILE 76 75 75 ILE ILE A . n |
|
A 1 77 LEU 77 76 76 LEU LEU A . n |
|
A 1 78 LYS 78 77 77 LYS LYS A . n |
|
A 1 79 LYS 79 78 78 LYS LYS A . n |
|
A 1 80 LYS 80 79 79 LYS LYS A . n |
|
A 1 81 GLY 81 80 80 GLY GLY A . n |
|
A 1 82 HIS 82 81 81 HIS HIS A . n |
|
A 1 83 HIS 83 82 82 HIS HIS A . n |
|
A 1 84 GLU 84 83 83 GLU GLU A . n |
|
A 1 85 ALA 85 84 84 ALA ALA A . n |
|
A 1 86 GLU 86 85 85 GLU GLU A . n |
|
A 1 87 LEU 87 86 86 LEU LEU A . n |
|
A 1 88 LYS 88 87 87 LYS LYS A . n |
|
A 1 89 PRO 89 88 88 PRO PRO A . n |
|
A 1 90 LEU 90 89 89 LEU LEU A . n |
|
A 1 91 ALA 91 90 90 ALA ALA A . n |
|
A 1 92 GLN 92 91 91 GLN GLN A . n |
|
A 1 93 SER 93 92 92 SER SER A . n |
|
A 1 94 HIS 94 93 93 HIS HIS A . n |
|
A 1 95 ALA 95 94 94 ALA ALA A . n |
|
A 1 96 THR 96 95 95 THR THR A . n |
|
A 1 97 LYS 97 96 96 LYS LYS A . n |
|
A 1 98 HIS 98 97 97 HIS HIS A . n |
|
A 1 99 LYS 99 98 98 LYS LYS A . n |
|
A 1 100 ILE 100 99 99 ILE ILE A . n |
|
A 1 101 PRO 101 100 100 PRO PRO A . n |
|
A 1 102 ILE 102 101 101 ILE ILE A . n |
|
A 1 103 LYS 103 102 102 LYS LYS A . n |
|
A 1 104 TYR 104 103 103 TYR TYR A . n |
|
A 1 105 LEU 105 104 104 LEU LEU A . n |
|
A 1 106 GLU 106 105 105 GLU GLU A . n |
|
A 1 107 PHE 107 106 106 PHE PHE A . n |
|
A 1 108 ILE 108 107 107 ILE ILE A . n |
|
A 1 109 SER 109 108 108 SER SER A . n |
|
A 1 110 GLU 110 109 109 GLU GLU A . n |
|
A 1 111 ALA 111 110 110 ALA ALA A . n |
|
A 1 112 ILE 112 111 111 ILE ILE A . n |
|
A 1 113 ILE 113 112 112 ILE ILE A . n |
|
A 1 114 HIS 114 113 113 HIS HIS A . n |
|
A 1 115 VAL 115 114 114 VAL VAL A . n |
|
A 1 116 LEU 116 115 115 LEU LEU A . n |
|
A 1 117 HIS 117 116 116 HIS HIS A . n |
|
A 1 118 SER 118 117 117 SER SER A . n |
|
A 1 119 ARG 119 118 118 ARG ARG A . n |
|
A 1 120 HIS 120 119 119 HIS HIS A . n |
|
A 1 121 PRO 121 120 120 PRO PRO A . n |
|
A 1 122 GLY 122 121 121 GLY GLY A . n |
|
A 1 123 ASN 123 122 122 ASN ASN A . n |
|
A 1 124 PHE 124 123 123 PHE PHE A . n |
|
A 1 125 GLY 125 124 124 GLY GLY A . n |
|
A 1 126 ALA 126 125 125 ALA ALA A . n |
|
A 1 127 ASP 127 126 126 ASP ASP A . n |
|
A 1 128 ALA 128 127 127 ALA ALA A . n |
|
A 1 129 GLN 129 128 128 GLN GLN A . n |
|
A 1 130 GLY 130 129 129 GLY GLY A . n |
|
A 1 131 ALA 131 130 130 ALA ALA A . n |
|
A 1 132 MET 132 131 131 MET MET A . n |
|
A 1 133 ASN 133 132 132 ASN ASN A . n |
|
A 1 134 LYS 134 133 133 LYS LYS A . n |
|
A 1 135 ALA 135 134 134 ALA ALA A . n |
|
A 1 136 LEU 136 135 135 LEU LEU A . n |
|
A 1 137 GLU 137 136 136 GLU GLU A . n |
|
A 1 138 LEU 138 137 137 LEU LEU A . n |
|
A 1 139 PHE 139 138 138 PHE PHE A . n |
|
A 1 140 ARG 140 139 139 ARG ARG A . n |
|
A 1 141 LYS 141 140 140 LYS LYS A . n |
|
A 1 142 ASP 142 141 141 ASP ASP A . n |
|
A 1 143 ILE 143 142 142 ILE ILE A . n |
|
A 1 144 ALA 144 143 143 ALA ALA A . n |
|
A 1 145 ALA 145 144 144 ALA ALA A . n |
|
A 1 146 LYS 146 145 145 LYS LYS A . n |
|
A 1 147 TYR 147 146 146 TYR TYR A . n |
|
A 1 148 LYS 148 147 147 LYS LYS A . n |
|
A 1 149 GLU 149 148 148 GLU GLU A . n |
|
A 1 150 LEU 150 149 149 LEU LEU A . n |
|
A 1 151 GLY 151 150 150 GLY GLY A . n |
|
A 1 152 TYR 152 151 151 TYR TYR A . n |
|
A 1 153 GLN 153 152 ? ? ? A . n |
|
A 1 154 GLY 154 153 ? ? ? A . n |
|
# |
|
_pdbx_contact_author.id 4 |
|
_pdbx_contact_author.email [email protected] |
|
_pdbx_contact_author.name_first George |
|
_pdbx_contact_author.name_last Richter-Addo |
|
_pdbx_contact_author.name_mi B. |
|
_pdbx_contact_author.role 'principal investigator/group leader' |
|
_pdbx_contact_author.identifier_ORCID 0000-0001-9400-0113 |
|
# |
|
loop_ |
|
_pdbx_nonpoly_scheme.asym_id |
|
_pdbx_nonpoly_scheme.entity_id |
|
_pdbx_nonpoly_scheme.mon_id |
|
_pdbx_nonpoly_scheme.ndb_seq_num |
|
_pdbx_nonpoly_scheme.pdb_seq_num |
|
_pdbx_nonpoly_scheme.auth_seq_num |
|
_pdbx_nonpoly_scheme.pdb_mon_id |
|
_pdbx_nonpoly_scheme.auth_mon_id |
|
_pdbx_nonpoly_scheme.pdb_strand_id |
|
_pdbx_nonpoly_scheme.pdb_ins_code |
|
B 2 HEM 1 200 200 HEM HEM A . |
|
C 3 NSM 1 201 201 NSM NSM A . |
|
D 4 SO4 1 202 202 SO4 SO4 A . |
|
E 5 HOH 1 301 301 HOH HOH A . |
|
E 5 HOH 2 302 302 HOH HOH A . |
|
E 5 HOH 3 303 303 HOH HOH A . |
|
E 5 HOH 4 304 304 HOH HOH A . |
|
E 5 HOH 5 305 305 HOH HOH A . |
|
E 5 HOH 6 306 306 HOH HOH A . |
|
E 5 HOH 7 307 307 HOH HOH A . |
|
E 5 HOH 8 308 308 HOH HOH A . |
|
E 5 HOH 9 309 309 HOH HOH A . |
|
E 5 HOH 10 310 310 HOH HOH A . |
|
E 5 HOH 11 311 311 HOH HOH A . |
|
E 5 HOH 12 312 312 HOH HOH A . |
|
E 5 HOH 13 313 313 HOH HOH A . |
|
E 5 HOH 14 314 314 HOH HOH A . |
|
E 5 HOH 15 315 315 HOH HOH A . |
|
E 5 HOH 16 316 316 HOH HOH A . |
|
E 5 HOH 17 317 317 HOH HOH A . |
|
E 5 HOH 18 318 318 HOH HOH A . |
|
E 5 HOH 19 319 319 HOH HOH A . |
|
E 5 HOH 20 320 320 HOH HOH A . |
|
E 5 HOH 21 321 321 HOH HOH A . |
|
E 5 HOH 22 322 322 HOH HOH A . |
|
E 5 HOH 23 323 324 HOH HOH A . |
|
E 5 HOH 24 324 323 HOH HOH A . |
|
E 5 HOH 25 325 325 HOH HOH A . |
|
E 5 HOH 26 326 326 HOH HOH A . |
|
E 5 HOH 27 327 327 HOH HOH A . |
|
E 5 HOH 28 328 328 HOH HOH A . |
|
E 5 HOH 29 329 329 HOH HOH A . |
|
E 5 HOH 30 330 330 HOH HOH A . |
|
E 5 HOH 31 331 331 HOH HOH A . |
|
E 5 HOH 32 332 332 HOH HOH A . |
|
E 5 HOH 33 333 333 HOH HOH A . |
|
E 5 HOH 34 334 334 HOH HOH A . |
|
E 5 HOH 35 335 335 HOH HOH A . |
|
E 5 HOH 36 336 336 HOH HOH A . |
|
E 5 HOH 37 337 337 HOH HOH A . |
|
E 5 HOH 38 338 338 HOH HOH A . |
|
E 5 HOH 39 339 339 HOH HOH A . |
|
E 5 HOH 40 340 340 HOH HOH A . |
|
E 5 HOH 41 341 341 HOH HOH A . |
|
E 5 HOH 42 342 342 HOH HOH A . |
|
E 5 HOH 43 343 343 HOH HOH A . |
|
E 5 HOH 44 344 344 HOH HOH A . |
|
E 5 HOH 45 345 345 HOH HOH A . |
|
E 5 HOH 46 346 346 HOH HOH A . |
|
E 5 HOH 47 347 347 HOH HOH A . |
|
E 5 HOH 48 348 348 HOH HOH A . |
|
E 5 HOH 49 349 349 HOH HOH A . |
|
E 5 HOH 50 350 350 HOH HOH A . |
|
E 5 HOH 51 351 351 HOH HOH A . |
|
E 5 HOH 52 352 352 HOH HOH A . |
|
E 5 HOH 53 353 353 HOH HOH A . |
|
E 5 HOH 54 354 354 HOH HOH A . |
|
E 5 HOH 55 355 355 HOH HOH A . |
|
E 5 HOH 56 356 356 HOH HOH A . |
|
E 5 HOH 57 357 357 HOH HOH A . |
|
E 5 HOH 58 358 358 HOH HOH A . |
|
E 5 HOH 59 359 359 HOH HOH A . |
|
E 5 HOH 60 360 360 HOH HOH A . |
|
E 5 HOH 61 361 361 HOH HOH A . |
|
E 5 HOH 62 362 362 HOH HOH A . |
|
E 5 HOH 63 363 363 HOH HOH A . |
|
E 5 HOH 64 364 364 HOH HOH A . |
|
E 5 HOH 65 365 365 HOH HOH A . |
|
E 5 HOH 66 366 366 HOH HOH A . |
|
E 5 HOH 67 367 367 HOH HOH A . |
|
E 5 HOH 68 368 368 HOH HOH A . |
|
E 5 HOH 69 369 369 HOH HOH A . |
|
E 5 HOH 70 370 370 HOH HOH A . |
|
E 5 HOH 71 371 371 HOH HOH A . |
|
E 5 HOH 72 372 372 HOH HOH A . |
|
E 5 HOH 73 373 373 HOH HOH A . |
|
E 5 HOH 74 374 374 HOH HOH A . |
|
E 5 HOH 75 375 375 HOH HOH A . |
|
E 5 HOH 76 376 376 HOH HOH A . |
|
E 5 HOH 77 377 377 HOH HOH A . |
|
E 5 HOH 78 378 378 HOH HOH A . |
|
E 5 HOH 79 379 379 HOH HOH A . |
|
E 5 HOH 80 380 380 HOH HOH A . |
|
E 5 HOH 81 381 381 HOH HOH A . |
|
E 5 HOH 82 382 382 HOH HOH A . |
|
E 5 HOH 83 383 383 HOH HOH A . |
|
E 5 HOH 84 384 384 HOH HOH A . |
|
E 5 HOH 85 385 385 HOH HOH A . |
|
# |
|
_pdbx_struct_assembly.id 1 |
|
_pdbx_struct_assembly.details author_defined_assembly |
|
_pdbx_struct_assembly.method_details ? |
|
_pdbx_struct_assembly.oligomeric_details monomeric |
|
_pdbx_struct_assembly.oligomeric_count 1 |
|
# |
|
_pdbx_struct_assembly_gen.assembly_id 1 |
|
_pdbx_struct_assembly_gen.oper_expression 1 |
|
_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E |
|
# |
|
loop_ |
|
_pdbx_struct_assembly_prop.biol_id |
|
_pdbx_struct_assembly_prop.type |
|
_pdbx_struct_assembly_prop.value |
|
_pdbx_struct_assembly_prop.details |
|
1 'ABSA (A^2)' 1520 ? |
|
1 MORE -29 ? |
|
1 'SSA (A^2)' 7820 ? |
|
# |
|
_pdbx_struct_oper_list.id 1 |
|
_pdbx_struct_oper_list.type 'identity operation' |
|
_pdbx_struct_oper_list.name 1_555 |
|
_pdbx_struct_oper_list.symmetry_operation x,y,z |
|
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 |
|
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 |
|
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 |
|
_pdbx_struct_oper_list.vector[1] 0.0000000000 |
|
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 |
|
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 |
|
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 |
|
_pdbx_struct_oper_list.vector[2] 0.0000000000 |
|
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 |
|
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 |
|
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 |
|
_pdbx_struct_oper_list.vector[3] 0.0000000000 |
|
# |
|
loop_ |
|
_pdbx_struct_conn_angle.id |
|
_pdbx_struct_conn_angle.ptnr1_label_atom_id |
|
_pdbx_struct_conn_angle.ptnr1_label_alt_id |
|
_pdbx_struct_conn_angle.ptnr1_label_asym_id |
|
_pdbx_struct_conn_angle.ptnr1_label_comp_id |
|
_pdbx_struct_conn_angle.ptnr1_label_seq_id |
|
_pdbx_struct_conn_angle.ptnr1_auth_atom_id |
|
_pdbx_struct_conn_angle.ptnr1_auth_asym_id |
|
_pdbx_struct_conn_angle.ptnr1_auth_comp_id |
|
_pdbx_struct_conn_angle.ptnr1_auth_seq_id |
|
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code |
|
_pdbx_struct_conn_angle.ptnr1_symmetry |
|
_pdbx_struct_conn_angle.ptnr2_label_atom_id |
|
_pdbx_struct_conn_angle.ptnr2_label_alt_id |
|
_pdbx_struct_conn_angle.ptnr2_label_asym_id |
|
_pdbx_struct_conn_angle.ptnr2_label_comp_id |
|
_pdbx_struct_conn_angle.ptnr2_label_seq_id |
|
_pdbx_struct_conn_angle.ptnr2_auth_atom_id |
|
_pdbx_struct_conn_angle.ptnr2_auth_asym_id |
|
_pdbx_struct_conn_angle.ptnr2_auth_comp_id |
|
_pdbx_struct_conn_angle.ptnr2_auth_seq_id |
|
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code |
|
_pdbx_struct_conn_angle.ptnr2_symmetry |
|
_pdbx_struct_conn_angle.ptnr3_label_atom_id |
|
_pdbx_struct_conn_angle.ptnr3_label_alt_id |
|
_pdbx_struct_conn_angle.ptnr3_label_asym_id |
|
_pdbx_struct_conn_angle.ptnr3_label_comp_id |
|
_pdbx_struct_conn_angle.ptnr3_label_seq_id |
|
_pdbx_struct_conn_angle.ptnr3_auth_atom_id |
|
_pdbx_struct_conn_angle.ptnr3_auth_asym_id |
|
_pdbx_struct_conn_angle.ptnr3_auth_comp_id |
|
_pdbx_struct_conn_angle.ptnr3_auth_seq_id |
|
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code |
|
_pdbx_struct_conn_angle.ptnr3_symmetry |
|
_pdbx_struct_conn_angle.value |
|
_pdbx_struct_conn_angle.value_esd |
|
1 NE2 ? A HIS 94 ? A HIS 93 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 NA ? B HEM . ? A HEM 200 ? 1_555 90.7 ? |
|
2 NE2 ? A HIS 94 ? A HIS 93 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 NB ? B HEM . ? A HEM 200 ? 1_555 89.7 ? |
|
3 NA ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 NB ? B HEM . ? A HEM 200 ? 1_555 90.1 ? |
|
4 NE2 ? A HIS 94 ? A HIS 93 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 NC ? B HEM . ? A HEM 200 ? 1_555 90.1 ? |
|
5 NA ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 NC ? B HEM . ? A HEM 200 ? 1_555 178.5 ? |
|
6 NB ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 NC ? B HEM . ? A HEM 200 ? 1_555 88.5 ? |
|
7 NE2 ? A HIS 94 ? A HIS 93 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 ND ? B HEM . ? A HEM 200 ? 1_555 90.4 ? |
|
8 NA ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 ND ? B HEM . ? A HEM 200 ? 1_555 90.4 ? |
|
9 NB ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 ND ? B HEM . ? A HEM 200 ? 1_555 179.5 ? |
|
10 NC ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 ND ? B HEM . ? A HEM 200 ? 1_555 91.0 ? |
|
11 NE2 ? A HIS 94 ? A HIS 93 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 O1 ? C NSM . ? A NSM 201 ? 1_555 156.3 ? |
|
12 NA ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 O1 ? C NSM . ? A NSM 201 ? 1_555 76.0 ? |
|
13 NB ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 O1 ? C NSM . ? A NSM 201 ? 1_555 109.5 ? |
|
14 NC ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 O1 ? C NSM . ? A NSM 201 ? 1_555 103.7 ? |
|
15 ND ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 O1 ? C NSM . ? A NSM 201 ? 1_555 70.5 ? |
|
16 NE2 ? A HIS 94 ? A HIS 93 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 N ? C NSM . ? A NSM 201 ? 1_555 177.1 ? |
|
17 NA ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 N ? C NSM . ? A NSM 201 ? 1_555 91.0 ? |
|
18 NB ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 N ? C NSM . ? A NSM 201 ? 1_555 92.6 ? |
|
19 NC ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 N ? C NSM . ? A NSM 201 ? 1_555 88.3 ? |
|
20 ND ? B HEM . ? A HEM 200 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 N ? C NSM . ? A NSM 201 ? 1_555 87.3 ? |
|
21 O1 ? C NSM . ? A NSM 201 ? 1_555 FE ? B HEM . ? A HEM 200 ? 1_555 N ? C NSM . ? A NSM 201 ? 1_555 22.9 ? |
|
# |
|
_pdbx_audit_revision_history.ordinal 1 |
|
_pdbx_audit_revision_history.data_content_type 'Structure model' |
|
_pdbx_audit_revision_history.major_revision 1 |
|
_pdbx_audit_revision_history.minor_revision 0 |
|
_pdbx_audit_revision_history.revision_date 2023-11-08 |
|
# |
|
_pdbx_audit_revision_details.ordinal 1 |
|
_pdbx_audit_revision_details.revision_ordinal 1 |
|
_pdbx_audit_revision_details.data_content_type 'Structure model' |
|
_pdbx_audit_revision_details.provider repository |
|
_pdbx_audit_revision_details.type 'Initial release' |
|
_pdbx_audit_revision_details.description ? |
|
_pdbx_audit_revision_details.details ? |
|
# |
|
loop_ |
|
_software.citation_id |
|
_software.classification |
|
_software.compiler_name |
|
_software.compiler_version |
|
_software.contact_author |
|
_software.contact_author_email |
|
_software.date |
|
_software.description |
|
_software.dependencies |
|
_software.hardware |
|
_software.language |
|
_software.location |
|
_software.mods |
|
_software.name |
|
_software.os |
|
_software.os_version |
|
_software.type |
|
_software.version |
|
_software.pdbx_ordinal |
|
? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0158 1 |
|
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.27 2 |
|
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-3000 ? ? ? . 3 |
|
? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? HKL-3000 ? ? ? . 4 |
|
? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 5 |
|
# |
|
_pdbx_entry_details.entry_id 8F9H |
|
_pdbx_entry_details.nonpolymer_details ? |
|
_pdbx_entry_details.sequence_details ? |
|
_pdbx_entry_details.compound_details ? |
|
_pdbx_entry_details.source_details ? |
|
_pdbx_entry_details.has_ligand_of_interest Y |
|
# |
|
loop_ |
|
_pdbx_validate_rmsd_angle.id |
|
_pdbx_validate_rmsd_angle.PDB_model_num |
|
_pdbx_validate_rmsd_angle.auth_atom_id_1 |
|
_pdbx_validate_rmsd_angle.auth_asym_id_1 |
|
_pdbx_validate_rmsd_angle.auth_comp_id_1 |
|
_pdbx_validate_rmsd_angle.auth_seq_id_1 |
|
_pdbx_validate_rmsd_angle.PDB_ins_code_1 |
|
_pdbx_validate_rmsd_angle.label_alt_id_1 |
|
_pdbx_validate_rmsd_angle.auth_atom_id_2 |
|
_pdbx_validate_rmsd_angle.auth_asym_id_2 |
|
_pdbx_validate_rmsd_angle.auth_comp_id_2 |
|
_pdbx_validate_rmsd_angle.auth_seq_id_2 |
|
_pdbx_validate_rmsd_angle.PDB_ins_code_2 |
|
_pdbx_validate_rmsd_angle.label_alt_id_2 |
|
_pdbx_validate_rmsd_angle.auth_atom_id_3 |
|
_pdbx_validate_rmsd_angle.auth_asym_id_3 |
|
_pdbx_validate_rmsd_angle.auth_comp_id_3 |
|
_pdbx_validate_rmsd_angle.auth_seq_id_3 |
|
_pdbx_validate_rmsd_angle.PDB_ins_code_3 |
|
_pdbx_validate_rmsd_angle.label_alt_id_3 |
|
_pdbx_validate_rmsd_angle.angle_value |
|
_pdbx_validate_rmsd_angle.angle_target_value |
|
_pdbx_validate_rmsd_angle.angle_deviation |
|
_pdbx_validate_rmsd_angle.angle_standard_deviation |
|
_pdbx_validate_rmsd_angle.linker_flag |
|
1 1 NE A ARG 118 ? ? CZ A ARG 118 ? ? NH1 A ARG 118 ? ? 126.43 120.30 6.13 0.50 N |
|
2 1 NE A ARG 118 ? ? CZ A ARG 118 ? ? NH2 A ARG 118 ? ? 113.63 120.30 -6.67 0.50 N |
|
# |
|
_pdbx_validate_torsion.id 1 |
|
_pdbx_validate_torsion.PDB_model_num 1 |
|
_pdbx_validate_torsion.auth_comp_id ASP |
|
_pdbx_validate_torsion.auth_asym_id A |
|
_pdbx_validate_torsion.auth_seq_id 20 |
|
_pdbx_validate_torsion.PDB_ins_code ? |
|
_pdbx_validate_torsion.label_alt_id ? |
|
_pdbx_validate_torsion.phi -153.75 |
|
_pdbx_validate_torsion.psi 77.18 |
|
# |
|
loop_ |
|
_pdbx_unobs_or_zero_occ_residues.id |
|
_pdbx_unobs_or_zero_occ_residues.PDB_model_num |
|
_pdbx_unobs_or_zero_occ_residues.polymer_flag |
|
_pdbx_unobs_or_zero_occ_residues.occupancy_flag |
|
_pdbx_unobs_or_zero_occ_residues.auth_asym_id |
|
_pdbx_unobs_or_zero_occ_residues.auth_comp_id |
|
_pdbx_unobs_or_zero_occ_residues.auth_seq_id |
|
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code |
|
_pdbx_unobs_or_zero_occ_residues.label_asym_id |
|
_pdbx_unobs_or_zero_occ_residues.label_comp_id |
|
_pdbx_unobs_or_zero_occ_residues.label_seq_id |
|
1 1 Y 1 A MET 0 ? A MET 1 |
|
2 1 Y 1 A GLN 152 ? A GLN 153 |
|
3 1 Y 1 A GLY 153 ? A GLY 154 |
|
# |
|
loop_ |
|
_chem_comp_atom.comp_id |
|
_chem_comp_atom.atom_id |
|
_chem_comp_atom.type_symbol |
|
_chem_comp_atom.pdbx_aromatic_flag |
|
_chem_comp_atom.pdbx_stereo_config |
|
_chem_comp_atom.pdbx_ordinal |
|
ALA N N N N 1 |
|
ALA CA C N S 2 |
|
ALA C C N N 3 |
|
ALA O O N N 4 |
|
ALA CB C N N 5 |
|
ALA OXT O N N 6 |
|
ALA H H N N 7 |
|
ALA H2 H N N 8 |
|
ALA HA H N N 9 |
|
ALA HB1 H N N 10 |
|
ALA HB2 H N N 11 |
|
ALA HB3 H N N 12 |
|
ALA HXT H N N 13 |
|
ARG N N N N 14 |
|
ARG CA C N S 15 |
|
ARG C C N N 16 |
|
ARG O O N N 17 |
|
ARG CB C N N 18 |
|
ARG CG C N N 19 |
|
ARG CD C N N 20 |
|
ARG NE N N N 21 |
|
ARG CZ C N N 22 |
|
ARG NH1 N N N 23 |
|
ARG NH2 N N N 24 |
|
ARG OXT O N N 25 |
|
ARG H H N N 26 |
|
ARG H2 H N N 27 |
|
ARG HA H N N 28 |
|
ARG HB2 H N N 29 |
|
ARG HB3 H N N 30 |
|
ARG HG2 H N N 31 |
|
ARG HG3 H N N 32 |
|
ARG HD2 H N N 33 |
|
ARG HD3 H N N 34 |
|
ARG HE H N N 35 |
|
ARG HH11 H N N 36 |
|
ARG HH12 H N N 37 |
|
ARG HH21 H N N 38 |
|
ARG HH22 H N N 39 |
|
ARG HXT H N N 40 |
|
ASN N N N N 41 |
|
ASN CA C N S 42 |
|
ASN C C N N 43 |
|
ASN O O N N 44 |
|
ASN CB C N N 45 |
|
ASN CG C N N 46 |
|
ASN OD1 O N N 47 |
|
ASN ND2 N N N 48 |
|
ASN OXT O N N 49 |
|
ASN H H N N 50 |
|
ASN H2 H N N 51 |
|
ASN HA H N N 52 |
|
ASN HB2 H N N 53 |
|
ASN HB3 H N N 54 |
|
ASN HD21 H N N 55 |
|
ASN HD22 H N N 56 |
|
ASN HXT H N N 57 |
|
ASP N N N N 58 |
|
ASP CA C N S 59 |
|
ASP C C N N 60 |
|
ASP O O N N 61 |
|
ASP CB C N N 62 |
|
ASP CG C N N 63 |
|
ASP OD1 O N N 64 |
|
ASP OD2 O N N 65 |
|
ASP OXT O N N 66 |
|
ASP H H N N 67 |
|
ASP H2 H N N 68 |
|
ASP HA H N N 69 |
|
ASP HB2 H N N 70 |
|
ASP HB3 H N N 71 |
|
ASP HD2 H N N 72 |
|
ASP HXT H N N 73 |
|
GLN N N N N 74 |
|
GLN CA C N S 75 |
|
GLN C C N N 76 |
|
GLN O O N N 77 |
|
GLN CB C N N 78 |
|
GLN CG C N N 79 |
|
GLN CD C N N 80 |
|
GLN OE1 O N N 81 |
|
GLN NE2 N N N 82 |
|
GLN OXT O N N 83 |
|
GLN H H N N 84 |
|
GLN H2 H N N 85 |
|
GLN HA H N N 86 |
|
GLN HB2 H N N 87 |
|
GLN HB3 H N N 88 |
|
GLN HG2 H N N 89 |
|
GLN HG3 H N N 90 |
|
GLN HE21 H N N 91 |
|
GLN HE22 H N N 92 |
|
GLN HXT H N N 93 |
|
GLU N N N N 94 |
|
GLU CA C N S 95 |
|
GLU C C N N 96 |
|
GLU O O N N 97 |
|
GLU CB C N N 98 |
|
GLU CG C N N 99 |
|
GLU CD C N N 100 |
|
GLU OE1 O N N 101 |
|
GLU OE2 O N N 102 |
|
GLU OXT O N N 103 |
|
GLU H H N N 104 |
|
GLU H2 H N N 105 |
|
GLU HA H N N 106 |
|
GLU HB2 H N N 107 |
|
GLU HB3 H N N 108 |
|
GLU HG2 H N N 109 |
|
GLU HG3 H N N 110 |
|
GLU HE2 H N N 111 |
|
GLU HXT H N N 112 |
|
GLY N N N N 113 |
|
GLY CA C N N 114 |
|
GLY C C N N 115 |
|
GLY O O N N 116 |
|
GLY OXT O N N 117 |
|
GLY H H N N 118 |
|
GLY H2 H N N 119 |
|
GLY HA2 H N N 120 |
|
GLY HA3 H N N 121 |
|
GLY HXT H N N 122 |
|
HEM CHA C N N 123 |
|
HEM CHB C N N 124 |
|
HEM CHC C N N 125 |
|
HEM CHD C N N 126 |
|
HEM C1A C Y N 127 |
|
HEM C2A C Y N 128 |
|
HEM C3A C Y N 129 |
|
HEM C4A C Y N 130 |
|
HEM CMA C N N 131 |
|
HEM CAA C N N 132 |
|
HEM CBA C N N 133 |
|
HEM CGA C N N 134 |
|
HEM O1A O N N 135 |
|
HEM O2A O N N 136 |
|
HEM C1B C N N 137 |
|
HEM C2B C N N 138 |
|
HEM C3B C N N 139 |
|
HEM C4B C N N 140 |
|
HEM CMB C N N 141 |
|
HEM CAB C N N 142 |
|
HEM CBB C N N 143 |
|
HEM C1C C Y N 144 |
|
HEM C2C C Y N 145 |
|
HEM C3C C Y N 146 |
|
HEM C4C C Y N 147 |
|
HEM CMC C N N 148 |
|
HEM CAC C N N 149 |
|
HEM CBC C N N 150 |
|
HEM C1D C N N 151 |
|
HEM C2D C N N 152 |
|
HEM C3D C N N 153 |
|
HEM C4D C N N 154 |
|
HEM CMD C N N 155 |
|
HEM CAD C N N 156 |
|
HEM CBD C N N 157 |
|
HEM CGD C N N 158 |
|
HEM O1D O N N 159 |
|
HEM O2D O N N 160 |
|
HEM NA N Y N 161 |
|
HEM NB N N N 162 |
|
HEM NC N Y N 163 |
|
HEM ND N N N 164 |
|
HEM FE FE N N 165 |
|
HEM HHB H N N 166 |
|
HEM HHC H N N 167 |
|
HEM HHD H N N 168 |
|
HEM HMA H N N 169 |
|
HEM HMAA H N N 170 |
|
HEM HMAB H N N 171 |
|
HEM HAA H N N 172 |
|
HEM HAAA H N N 173 |
|
HEM HBA H N N 174 |
|
HEM HBAA H N N 175 |
|
HEM HMB H N N 176 |
|
HEM HMBA H N N 177 |
|
HEM HMBB H N N 178 |
|
HEM HAB H N N 179 |
|
HEM HBB H N N 180 |
|
HEM HBBA H N N 181 |
|
HEM HMC H N N 182 |
|
HEM HMCA H N N 183 |
|
HEM HMCB H N N 184 |
|
HEM HAC H N N 185 |
|
HEM HBC H N N 186 |
|
HEM HBCA H N N 187 |
|
HEM HMD H N N 188 |
|
HEM HMDA H N N 189 |
|
HEM HMDB H N N 190 |
|
HEM HAD H N N 191 |
|
HEM HADA H N N 192 |
|
HEM HBD H N N 193 |
|
HEM HBDA H N N 194 |
|
HEM H2A H N N 195 |
|
HEM H2D H N N 196 |
|
HEM HHA H N N 197 |
|
HIS N N N N 198 |
|
HIS CA C N S 199 |
|
HIS C C N N 200 |
|
HIS O O N N 201 |
|
HIS CB C N N 202 |
|
HIS CG C Y N 203 |
|
HIS ND1 N Y N 204 |
|
HIS CD2 C Y N 205 |
|
HIS CE1 C Y N 206 |
|
HIS NE2 N Y N 207 |
|
HIS OXT O N N 208 |
|
HIS H H N N 209 |
|
HIS H2 H N N 210 |
|
HIS HA H N N 211 |
|
HIS HB2 H N N 212 |
|
HIS HB3 H N N 213 |
|
HIS HD1 H N N 214 |
|
HIS HD2 H N N 215 |
|
HIS HE1 H N N 216 |
|
HIS HE2 H N N 217 |
|
HIS HXT H N N 218 |
|
HOH O O N N 219 |
|
HOH H1 H N N 220 |
|
HOH H2 H N N 221 |
|
ILE N N N N 222 |
|
ILE CA C N S 223 |
|
ILE C C N N 224 |
|
ILE O O N N 225 |
|
ILE CB C N S 226 |
|
ILE CG1 C N N 227 |
|
ILE CG2 C N N 228 |
|
ILE CD1 C N N 229 |
|
ILE OXT O N N 230 |
|
ILE H H N N 231 |
|
ILE H2 H N N 232 |
|
ILE HA H N N 233 |
|
ILE HB H N N 234 |
|
ILE HG12 H N N 235 |
|
ILE HG13 H N N 236 |
|
ILE HG21 H N N 237 |
|
ILE HG22 H N N 238 |
|
ILE HG23 H N N 239 |
|
ILE HD11 H N N 240 |
|
ILE HD12 H N N 241 |
|
ILE HD13 H N N 242 |
|
ILE HXT H N N 243 |
|
LEU N N N N 244 |
|
LEU CA C N S 245 |
|
LEU C C N N 246 |
|
LEU O O N N 247 |
|
LEU CB C N N 248 |
|
LEU CG C N N 249 |
|
LEU CD1 C N N 250 |
|
LEU CD2 C N N 251 |
|
LEU OXT O N N 252 |
|
LEU H H N N 253 |
|
LEU H2 H N N 254 |
|
LEU HA H N N 255 |
|
LEU HB2 H N N 256 |
|
LEU HB3 H N N 257 |
|
LEU HG H N N 258 |
|
LEU HD11 H N N 259 |
|
LEU HD12 H N N 260 |
|
LEU HD13 H N N 261 |
|
LEU HD21 H N N 262 |
|
LEU HD22 H N N 263 |
|
LEU HD23 H N N 264 |
|
LEU HXT H N N 265 |
|
LYS N N N N 266 |
|
LYS CA C N S 267 |
|
LYS C C N N 268 |
|
LYS O O N N 269 |
|
LYS CB C N N 270 |
|
LYS CG C N N 271 |
|
LYS CD C N N 272 |
|
LYS CE C N N 273 |
|
LYS NZ N N N 274 |
|
LYS OXT O N N 275 |
|
LYS H H N N 276 |
|
LYS H2 H N N 277 |
|
LYS HA H N N 278 |
|
LYS HB2 H N N 279 |
|
LYS HB3 H N N 280 |
|
LYS HG2 H N N 281 |
|
LYS HG3 H N N 282 |
|
LYS HD2 H N N 283 |
|
LYS HD3 H N N 284 |
|
LYS HE2 H N N 285 |
|
LYS HE3 H N N 286 |
|
LYS HZ1 H N N 287 |
|
LYS HZ2 H N N 288 |
|
LYS HZ3 H N N 289 |
|
LYS HXT H N N 290 |
|
MET N N N N 291 |
|
MET CA C N S 292 |
|
MET C C N N 293 |
|
MET O O N N 294 |
|
MET CB C N N 295 |
|
MET CG C N N 296 |
|
MET SD S N N 297 |
|
MET CE C N N 298 |
|
MET OXT O N N 299 |
|
MET H H N N 300 |
|
MET H2 H N N 301 |
|
MET HA H N N 302 |
|
MET HB2 H N N 303 |
|
MET HB3 H N N 304 |
|
MET HG2 H N N 305 |
|
MET HG3 H N N 306 |
|
MET HE1 H N N 307 |
|
MET HE2 H N N 308 |
|
MET HE3 H N N 309 |
|
MET HXT H N N 310 |
|
NSM O1 O N N 311 |
|
NSM N N N N 312 |
|
NSM C1 C N N 313 |
|
NSM H11 H N N 314 |
|
NSM H12 H N N 315 |
|
NSM H13 H N N 316 |
|
PHE N N N N 317 |
|
PHE CA C N S 318 |
|
PHE C C N N 319 |
|
PHE O O N N 320 |
|
PHE CB C N N 321 |
|
PHE CG C Y N 322 |
|
PHE CD1 C Y N 323 |
|
PHE CD2 C Y N 324 |
|
PHE CE1 C Y N 325 |
|
PHE CE2 C Y N 326 |
|
PHE CZ C Y N 327 |
|
PHE OXT O N N 328 |
|
PHE H H N N 329 |
|
PHE H2 H N N 330 |
|
PHE HA H N N 331 |
|
PHE HB2 H N N 332 |
|
PHE HB3 H N N 333 |
|
PHE HD1 H N N 334 |
|
PHE HD2 H N N 335 |
|
PHE HE1 H N N 336 |
|
PHE HE2 H N N 337 |
|
PHE HZ H N N 338 |
|
PHE HXT H N N 339 |
|
PRO N N N N 340 |
|
PRO CA C N S 341 |
|
PRO C C N N 342 |
|
PRO O O N N 343 |
|
PRO CB C N N 344 |
|
PRO CG C N N 345 |
|
PRO CD C N N 346 |
|
PRO OXT O N N 347 |
|
PRO H H N N 348 |
|
PRO HA H N N 349 |
|
PRO HB2 H N N 350 |
|
PRO HB3 H N N 351 |
|
PRO HG2 H N N 352 |
|
PRO HG3 H N N 353 |
|
PRO HD2 H N N 354 |
|
PRO HD3 H N N 355 |
|
PRO HXT H N N 356 |
|
SER N N N N 357 |
|
SER CA C N S 358 |
|
SER C C N N 359 |
|
SER O O N N 360 |
|
SER CB C N N 361 |
|
SER OG O N N 362 |
|
SER OXT O N N 363 |
|
SER H H N N 364 |
|
SER H2 H N N 365 |
|
SER HA H N N 366 |
|
SER HB2 H N N 367 |
|
SER HB3 H N N 368 |
|
SER HG H N N 369 |
|
SER HXT H N N 370 |
|
SO4 S S N N 371 |
|
SO4 O1 O N N 372 |
|
SO4 O2 O N N 373 |
|
SO4 O3 O N N 374 |
|
SO4 O4 O N N 375 |
|
THR N N N N 376 |
|
THR CA C N S 377 |
|
THR C C N N 378 |
|
THR O O N N 379 |
|
THR CB C N R 380 |
|
THR OG1 O N N 381 |
|
THR CG2 C N N 382 |
|
THR OXT O N N 383 |
|
THR H H N N 384 |
|
THR H2 H N N 385 |
|
THR HA H N N 386 |
|
THR HB H N N 387 |
|
THR HG1 H N N 388 |
|
THR HG21 H N N 389 |
|
THR HG22 H N N 390 |
|
THR HG23 H N N 391 |
|
THR HXT H N N 392 |
|
TRP N N N N 393 |
|
TRP CA C N S 394 |
|
TRP C C N N 395 |
|
TRP O O N N 396 |
|
TRP CB C N N 397 |
|
TRP CG C Y N 398 |
|
TRP CD1 C Y N 399 |
|
TRP CD2 C Y N 400 |
|
TRP NE1 N Y N 401 |
|
TRP CE2 C Y N 402 |
|
TRP CE3 C Y N 403 |
|
TRP CZ2 C Y N 404 |
|
TRP CZ3 C Y N 405 |
|
TRP CH2 C Y N 406 |
|
TRP OXT O N N 407 |
|
TRP H H N N 408 |
|
TRP H2 H N N 409 |
|
TRP HA H N N 410 |
|
TRP HB2 H N N 411 |
|
TRP HB3 H N N 412 |
|
TRP HD1 H N N 413 |
|
TRP HE1 H N N 414 |
|
TRP HE3 H N N 415 |
|
TRP HZ2 H N N 416 |
|
TRP HZ3 H N N 417 |
|
TRP HH2 H N N 418 |
|
TRP HXT H N N 419 |
|
TYR N N N N 420 |
|
TYR CA C N S 421 |
|
TYR C C N N 422 |
|
TYR O O N N 423 |
|
TYR CB C N N 424 |
|
TYR CG C Y N 425 |
|
TYR CD1 C Y N 426 |
|
TYR CD2 C Y N 427 |
|
TYR CE1 C Y N 428 |
|
TYR CE2 C Y N 429 |
|
TYR CZ C Y N 430 |
|
TYR OH O N N 431 |
|
TYR OXT O N N 432 |
|
TYR H H N N 433 |
|
TYR H2 H N N 434 |
|
TYR HA H N N 435 |
|
TYR HB2 H N N 436 |
|
TYR HB3 H N N 437 |
|
TYR HD1 H N N 438 |
|
TYR HD2 H N N 439 |
|
TYR HE1 H N N 440 |
|
TYR HE2 H N N 441 |
|
TYR HH H N N 442 |
|
TYR HXT H N N 443 |
|
VAL N N N N 444 |
|
VAL CA C N S 445 |
|
VAL C C N N 446 |
|
VAL O O N N 447 |
|
VAL CB C N N 448 |
|
VAL CG1 C N N 449 |
|
VAL CG2 C N N 450 |
|
VAL OXT O N N 451 |
|
VAL H H N N 452 |
|
VAL H2 H N N 453 |
|
VAL HA H N N 454 |
|
VAL HB H N N 455 |
|
VAL HG11 H N N 456 |
|
VAL HG12 H N N 457 |
|
VAL HG13 H N N 458 |
|
VAL HG21 H N N 459 |
|
VAL HG22 H N N 460 |
|
VAL HG23 H N N 461 |
|
VAL HXT H N N 462 |
|
# |
|
loop_ |
|
_chem_comp_bond.comp_id |
|
_chem_comp_bond.atom_id_1 |
|
_chem_comp_bond.atom_id_2 |
|
_chem_comp_bond.value_order |
|
_chem_comp_bond.pdbx_aromatic_flag |
|
_chem_comp_bond.pdbx_stereo_config |
|
_chem_comp_bond.pdbx_ordinal |
|
ALA N CA sing N N 1 |
|
ALA N H sing N N 2 |
|
ALA N H2 sing N N 3 |
|
ALA CA C sing N N 4 |
|
ALA CA CB sing N N 5 |
|
ALA CA HA sing N N 6 |
|
ALA C O doub N N 7 |
|
ALA C OXT sing N N 8 |
|
ALA CB HB1 sing N N 9 |
|
ALA CB HB2 sing N N 10 |
|
ALA CB HB3 sing N N 11 |
|
ALA OXT HXT sing N N 12 |
|
ARG N CA sing N N 13 |
|
ARG N H sing N N 14 |
|
ARG N H2 sing N N 15 |
|
ARG CA C sing N N 16 |
|
ARG CA CB sing N N 17 |
|
ARG CA HA sing N N 18 |
|
ARG C O doub N N 19 |
|
ARG C OXT sing N N 20 |
|
ARG CB CG sing N N 21 |
|
ARG CB HB2 sing N N 22 |
|
ARG CB HB3 sing N N 23 |
|
ARG CG CD sing N N 24 |
|
ARG CG HG2 sing N N 25 |
|
ARG CG HG3 sing N N 26 |
|
ARG CD NE sing N N 27 |
|
ARG CD HD2 sing N N 28 |
|
ARG CD HD3 sing N N 29 |
|
ARG NE CZ sing N N 30 |
|
ARG NE HE sing N N 31 |
|
ARG CZ NH1 sing N N 32 |
|
ARG CZ NH2 doub N N 33 |
|
ARG NH1 HH11 sing N N 34 |
|
ARG NH1 HH12 sing N N 35 |
|
ARG NH2 HH21 sing N N 36 |
|
ARG NH2 HH22 sing N N 37 |
|
ARG OXT HXT sing N N 38 |
|
ASN N CA sing N N 39 |
|
ASN N H sing N N 40 |
|
ASN N H2 sing N N 41 |
|
ASN CA C sing N N 42 |
|
ASN CA CB sing N N 43 |
|
ASN CA HA sing N N 44 |
|
ASN C O doub N N 45 |
|
ASN C OXT sing N N 46 |
|
ASN CB CG sing N N 47 |
|
ASN CB HB2 sing N N 48 |
|
ASN CB HB3 sing N N 49 |
|
ASN CG OD1 doub N N 50 |
|
ASN CG ND2 sing N N 51 |
|
ASN ND2 HD21 sing N N 52 |
|
ASN ND2 HD22 sing N N 53 |
|
ASN OXT HXT sing N N 54 |
|
ASP N CA sing N N 55 |
|
ASP N H sing N N 56 |
|
ASP N H2 sing N N 57 |
|
ASP CA C sing N N 58 |
|
ASP CA CB sing N N 59 |
|
ASP CA HA sing N N 60 |
|
ASP C O doub N N 61 |
|
ASP C OXT sing N N 62 |
|
ASP CB CG sing N N 63 |
|
ASP CB HB2 sing N N 64 |
|
ASP CB HB3 sing N N 65 |
|
ASP CG OD1 doub N N 66 |
|
ASP CG OD2 sing N N 67 |
|
ASP OD2 HD2 sing N N 68 |
|
ASP OXT HXT sing N N 69 |
|
GLN N CA sing N N 70 |
|
GLN N H sing N N 71 |
|
GLN N H2 sing N N 72 |
|
GLN CA C sing N N 73 |
|
GLN CA CB sing N N 74 |
|
GLN CA HA sing N N 75 |
|
GLN C O doub N N 76 |
|
GLN C OXT sing N N 77 |
|
GLN CB CG sing N N 78 |
|
GLN CB HB2 sing N N 79 |
|
GLN CB HB3 sing N N 80 |
|
GLN CG CD sing N N 81 |
|
GLN CG HG2 sing N N 82 |
|
GLN CG HG3 sing N N 83 |
|
GLN CD OE1 doub N N 84 |
|
GLN CD NE2 sing N N 85 |
|
GLN NE2 HE21 sing N N 86 |
|
GLN NE2 HE22 sing N N 87 |
|
GLN OXT HXT sing N N 88 |
|
GLU N CA sing N N 89 |
|
GLU N H sing N N 90 |
|
GLU N H2 sing N N 91 |
|
GLU CA C sing N N 92 |
|
GLU CA CB sing N N 93 |
|
GLU CA HA sing N N 94 |
|
GLU C O doub N N 95 |
|
GLU C OXT sing N N 96 |
|
GLU CB CG sing N N 97 |
|
GLU CB HB2 sing N N 98 |
|
GLU CB HB3 sing N N 99 |
|
GLU CG CD sing N N 100 |
|
GLU CG HG2 sing N N 101 |
|
GLU CG HG3 sing N N 102 |
|
GLU CD OE1 doub N N 103 |
|
GLU CD OE2 sing N N 104 |
|
GLU OE2 HE2 sing N N 105 |
|
GLU OXT HXT sing N N 106 |
|
GLY N CA sing N N 107 |
|
GLY N H sing N N 108 |
|
GLY N H2 sing N N 109 |
|
GLY CA C sing N N 110 |
|
GLY CA HA2 sing N N 111 |
|
GLY CA HA3 sing N N 112 |
|
GLY C O doub N N 113 |
|
GLY C OXT sing N N 114 |
|
GLY OXT HXT sing N N 115 |
|
HEM CHA C1A sing N N 116 |
|
HEM CHA C4D doub N N 117 |
|
HEM CHA HHA sing N N 118 |
|
HEM CHB C4A sing N N 119 |
|
HEM CHB C1B doub N N 120 |
|
HEM CHB HHB sing N N 121 |
|
HEM CHC C4B sing N N 122 |
|
HEM CHC C1C doub N N 123 |
|
HEM CHC HHC sing N N 124 |
|
HEM CHD C4C doub N N 125 |
|
HEM CHD C1D sing N N 126 |
|
HEM CHD HHD sing N N 127 |
|
HEM C1A C2A doub Y N 128 |
|
HEM C1A NA sing Y N 129 |
|
HEM C2A C3A sing Y N 130 |
|
HEM C2A CAA sing N N 131 |
|
HEM C3A C4A doub Y N 132 |
|
HEM C3A CMA sing N N 133 |
|
HEM C4A NA sing Y N 134 |
|
HEM CMA HMA sing N N 135 |
|
HEM CMA HMAA sing N N 136 |
|
HEM CMA HMAB sing N N 137 |
|
HEM CAA CBA sing N N 138 |
|
HEM CAA HAA sing N N 139 |
|
HEM CAA HAAA sing N N 140 |
|
HEM CBA CGA sing N N 141 |
|
HEM CBA HBA sing N N 142 |
|
HEM CBA HBAA sing N N 143 |
|
HEM CGA O1A doub N N 144 |
|
HEM CGA O2A sing N N 145 |
|
HEM C1B C2B sing N N 146 |
|
HEM C1B NB sing N N 147 |
|
HEM C2B C3B doub N N 148 |
|
HEM C2B CMB sing N N 149 |
|
HEM C3B C4B sing N N 150 |
|
HEM C3B CAB sing N N 151 |
|
HEM C4B NB doub N N 152 |
|
HEM CMB HMB sing N N 153 |
|
HEM CMB HMBA sing N N 154 |
|
HEM CMB HMBB sing N N 155 |
|
HEM CAB CBB doub N N 156 |
|
HEM CAB HAB sing N N 157 |
|
HEM CBB HBB sing N N 158 |
|
HEM CBB HBBA sing N N 159 |
|
HEM C1C C2C sing Y N 160 |
|
HEM C1C NC sing Y N 161 |
|
HEM C2C C3C doub Y N 162 |
|
HEM C2C CMC sing N N 163 |
|
HEM C3C C4C sing Y N 164 |
|
HEM C3C CAC sing N N 165 |
|
HEM C4C NC sing Y N 166 |
|
HEM CMC HMC sing N N 167 |
|
HEM CMC HMCA sing N N 168 |
|
HEM CMC HMCB sing N N 169 |
|
HEM CAC CBC doub N N 170 |
|
HEM CAC HAC sing N N 171 |
|
HEM CBC HBC sing N N 172 |
|
HEM CBC HBCA sing N N 173 |
|
HEM C1D C2D sing N N 174 |
|
HEM C1D ND doub N N 175 |
|
HEM C2D C3D doub N N 176 |
|
HEM C2D CMD sing N N 177 |
|
HEM C3D C4D sing N N 178 |
|
HEM C3D CAD sing N N 179 |
|
HEM C4D ND sing N N 180 |
|
HEM CMD HMD sing N N 181 |
|
HEM CMD HMDA sing N N 182 |
|
HEM CMD HMDB sing N N 183 |
|
HEM CAD CBD sing N N 184 |
|
HEM CAD HAD sing N N 185 |
|
HEM CAD HADA sing N N 186 |
|
HEM CBD CGD sing N N 187 |
|
HEM CBD HBD sing N N 188 |
|
HEM CBD HBDA sing N N 189 |
|
HEM CGD O1D doub N N 190 |
|
HEM CGD O2D sing N N 191 |
|
HEM O2A H2A sing N N 192 |
|
HEM O2D H2D sing N N 193 |
|
HEM FE NA sing N N 194 |
|
HEM FE NB sing N N 195 |
|
HEM FE NC sing N N 196 |
|
HEM FE ND sing N N 197 |
|
HIS N CA sing N N 198 |
|
HIS N H sing N N 199 |
|
HIS N H2 sing N N 200 |
|
HIS CA C sing N N 201 |
|
HIS CA CB sing N N 202 |
|
HIS CA HA sing N N 203 |
|
HIS C O doub N N 204 |
|
HIS C OXT sing N N 205 |
|
HIS CB CG sing N N 206 |
|
HIS CB HB2 sing N N 207 |
|
HIS CB HB3 sing N N 208 |
|
HIS CG ND1 sing Y N 209 |
|
HIS CG CD2 doub Y N 210 |
|
HIS ND1 CE1 doub Y N 211 |
|
HIS ND1 HD1 sing N N 212 |
|
HIS CD2 NE2 sing Y N 213 |
|
HIS CD2 HD2 sing N N 214 |
|
HIS CE1 NE2 sing Y N 215 |
|
HIS CE1 HE1 sing N N 216 |
|
HIS NE2 HE2 sing N N 217 |
|
HIS OXT HXT sing N N 218 |
|
HOH O H1 sing N N 219 |
|
HOH O H2 sing N N 220 |
|
ILE N CA sing N N 221 |
|
ILE N H sing N N 222 |
|
ILE N H2 sing N N 223 |
|
ILE CA C sing N N 224 |
|
ILE CA CB sing N N 225 |
|
ILE CA HA sing N N 226 |
|
ILE C O doub N N 227 |
|
ILE C OXT sing N N 228 |
|
ILE CB CG1 sing N N 229 |
|
ILE CB CG2 sing N N 230 |
|
ILE CB HB sing N N 231 |
|
ILE CG1 CD1 sing N N 232 |
|
ILE CG1 HG12 sing N N 233 |
|
ILE CG1 HG13 sing N N 234 |
|
ILE CG2 HG21 sing N N 235 |
|
ILE CG2 HG22 sing N N 236 |
|
ILE CG2 HG23 sing N N 237 |
|
ILE CD1 HD11 sing N N 238 |
|
ILE CD1 HD12 sing N N 239 |
|
ILE CD1 HD13 sing N N 240 |
|
ILE OXT HXT sing N N 241 |
|
LEU N CA sing N N 242 |
|
LEU N H sing N N 243 |
|
LEU N H2 sing N N 244 |
|
LEU CA C sing N N 245 |
|
LEU CA CB sing N N 246 |
|
LEU CA HA sing N N 247 |
|
LEU C O doub N N 248 |
|
LEU C OXT sing N N 249 |
|
LEU CB CG sing N N 250 |
|
LEU CB HB2 sing N N 251 |
|
LEU CB HB3 sing N N 252 |
|
LEU CG CD1 sing N N 253 |
|
LEU CG CD2 sing N N 254 |
|
LEU CG HG sing N N 255 |
|
LEU CD1 HD11 sing N N 256 |
|
LEU CD1 HD12 sing N N 257 |
|
LEU CD1 HD13 sing N N 258 |
|
LEU CD2 HD21 sing N N 259 |
|
LEU CD2 HD22 sing N N 260 |
|
LEU CD2 HD23 sing N N 261 |
|
LEU OXT HXT sing N N 262 |
|
LYS N CA sing N N 263 |
|
LYS N H sing N N 264 |
|
LYS N H2 sing N N 265 |
|
LYS CA C sing N N 266 |
|
LYS CA CB sing N N 267 |
|
LYS CA HA sing N N 268 |
|
LYS C O doub N N 269 |
|
LYS C OXT sing N N 270 |
|
LYS CB CG sing N N 271 |
|
LYS CB HB2 sing N N 272 |
|
LYS CB HB3 sing N N 273 |
|
LYS CG CD sing N N 274 |
|
LYS CG HG2 sing N N 275 |
|
LYS CG HG3 sing N N 276 |
|
LYS CD CE sing N N 277 |
|
LYS CD HD2 sing N N 278 |
|
LYS CD HD3 sing N N 279 |
|
LYS CE NZ sing N N 280 |
|
LYS CE HE2 sing N N 281 |
|
LYS CE HE3 sing N N 282 |
|
LYS NZ HZ1 sing N N 283 |
|
LYS NZ HZ2 sing N N 284 |
|
LYS NZ HZ3 sing N N 285 |
|
LYS OXT HXT sing N N 286 |
|
MET N CA sing N N 287 |
|
MET N H sing N N 288 |
|
MET N H2 sing N N 289 |
|
MET CA C sing N N 290 |
|
MET CA CB sing N N 291 |
|
MET CA HA sing N N 292 |
|
MET C O doub N N 293 |
|
MET C OXT sing N N 294 |
|
MET CB CG sing N N 295 |
|
MET CB HB2 sing N N 296 |
|
MET CB HB3 sing N N 297 |
|
MET CG SD sing N N 298 |
|
MET CG HG2 sing N N 299 |
|
MET CG HG3 sing N N 300 |
|
MET SD CE sing N N 301 |
|
MET CE HE1 sing N N 302 |
|
MET CE HE2 sing N N 303 |
|
MET CE HE3 sing N N 304 |
|
MET OXT HXT sing N N 305 |
|
NSM O1 N doub N N 306 |
|
NSM N C1 sing N N 307 |
|
NSM C1 H11 sing N N 308 |
|
NSM C1 H12 sing N N 309 |
|
NSM C1 H13 sing N N 310 |
|
PHE N CA sing N N 311 |
|
PHE N H sing N N 312 |
|
PHE N H2 sing N N 313 |
|
PHE CA C sing N N 314 |
|
PHE CA CB sing N N 315 |
|
PHE CA HA sing N N 316 |
|
PHE C O doub N N 317 |
|
PHE C OXT sing N N 318 |
|
PHE CB CG sing N N 319 |
|
PHE CB HB2 sing N N 320 |
|
PHE CB HB3 sing N N 321 |
|
PHE CG CD1 doub Y N 322 |
|
PHE CG CD2 sing Y N 323 |
|
PHE CD1 CE1 sing Y N 324 |
|
PHE CD1 HD1 sing N N 325 |
|
PHE CD2 CE2 doub Y N 326 |
|
PHE CD2 HD2 sing N N 327 |
|
PHE CE1 CZ doub Y N 328 |
|
PHE CE1 HE1 sing N N 329 |
|
PHE CE2 CZ sing Y N 330 |
|
PHE CE2 HE2 sing N N 331 |
|
PHE CZ HZ sing N N 332 |
|
PHE OXT HXT sing N N 333 |
|
PRO N CA sing N N 334 |
|
PRO N CD sing N N 335 |
|
PRO N H sing N N 336 |
|
PRO CA C sing N N 337 |
|
PRO CA CB sing N N 338 |
|
PRO CA HA sing N N 339 |
|
PRO C O doub N N 340 |
|
PRO C OXT sing N N 341 |
|
PRO CB CG sing N N 342 |
|
PRO CB HB2 sing N N 343 |
|
PRO CB HB3 sing N N 344 |
|
PRO CG CD sing N N 345 |
|
PRO CG HG2 sing N N 346 |
|
PRO CG HG3 sing N N 347 |
|
PRO CD HD2 sing N N 348 |
|
PRO CD HD3 sing N N 349 |
|
PRO OXT HXT sing N N 350 |
|
SER N CA sing N N 351 |
|
SER N H sing N N 352 |
|
SER N H2 sing N N 353 |
|
SER CA C sing N N 354 |
|
SER CA CB sing N N 355 |
|
SER CA HA sing N N 356 |
|
SER C O doub N N 357 |
|
SER C OXT sing N N 358 |
|
SER CB OG sing N N 359 |
|
SER CB HB2 sing N N 360 |
|
SER CB HB3 sing N N 361 |
|
SER OG HG sing N N 362 |
|
SER OXT HXT sing N N 363 |
|
SO4 S O1 doub N N 364 |
|
SO4 S O2 doub N N 365 |
|
SO4 S O3 sing N N 366 |
|
SO4 S O4 sing N N 367 |
|
THR N CA sing N N 368 |
|
THR N H sing N N 369 |
|
THR N H2 sing N N 370 |
|
THR CA C sing N N 371 |
|
THR CA CB sing N N 372 |
|
THR CA HA sing N N 373 |
|
THR C O doub N N 374 |
|
THR C OXT sing N N 375 |
|
THR CB OG1 sing N N 376 |
|
THR CB CG2 sing N N 377 |
|
THR CB HB sing N N 378 |
|
THR OG1 HG1 sing N N 379 |
|
THR CG2 HG21 sing N N 380 |
|
THR CG2 HG22 sing N N 381 |
|
THR CG2 HG23 sing N N 382 |
|
THR OXT HXT sing N N 383 |
|
TRP N CA sing N N 384 |
|
TRP N H sing N N 385 |
|
TRP N H2 sing N N 386 |
|
TRP CA C sing N N 387 |
|
TRP CA CB sing N N 388 |
|
TRP CA HA sing N N 389 |
|
TRP C O doub N N 390 |
|
TRP C OXT sing N N 391 |
|
TRP CB CG sing N N 392 |
|
TRP CB HB2 sing N N 393 |
|
TRP CB HB3 sing N N 394 |
|
TRP CG CD1 doub Y N 395 |
|
TRP CG CD2 sing Y N 396 |
|
TRP CD1 NE1 sing Y N 397 |
|
TRP CD1 HD1 sing N N 398 |
|
TRP CD2 CE2 doub Y N 399 |
|
TRP CD2 CE3 sing Y N 400 |
|
TRP NE1 CE2 sing Y N 401 |
|
TRP NE1 HE1 sing N N 402 |
|
TRP CE2 CZ2 sing Y N 403 |
|
TRP CE3 CZ3 doub Y N 404 |
|
TRP CE3 HE3 sing N N 405 |
|
TRP CZ2 CH2 doub Y N 406 |
|
TRP CZ2 HZ2 sing N N 407 |
|
TRP CZ3 CH2 sing Y N 408 |
|
TRP CZ3 HZ3 sing N N 409 |
|
TRP CH2 HH2 sing N N 410 |
|
TRP OXT HXT sing N N 411 |
|
TYR N CA sing N N 412 |
|
TYR N H sing N N 413 |
|
TYR N H2 sing N N 414 |
|
TYR CA C sing N N 415 |
|
TYR CA CB sing N N 416 |
|
TYR CA HA sing N N 417 |
|
TYR C O doub N N 418 |
|
TYR C OXT sing N N 419 |
|
TYR CB CG sing N N 420 |
|
TYR CB HB2 sing N N 421 |
|
TYR CB HB3 sing N N 422 |
|
TYR CG CD1 doub Y N 423 |
|
TYR CG CD2 sing Y N 424 |
|
TYR CD1 CE1 sing Y N 425 |
|
TYR CD1 HD1 sing N N 426 |
|
TYR CD2 CE2 doub Y N 427 |
|
TYR CD2 HD2 sing N N 428 |
|
TYR CE1 CZ doub Y N 429 |
|
TYR CE1 HE1 sing N N 430 |
|
TYR CE2 CZ sing Y N 431 |
|
TYR CE2 HE2 sing N N 432 |
|
TYR CZ OH sing N N 433 |
|
TYR OH HH sing N N 434 |
|
TYR OXT HXT sing N N 435 |
|
VAL N CA sing N N 436 |
|
VAL N H sing N N 437 |
|
VAL N H2 sing N N 438 |
|
VAL CA C sing N N 439 |
|
VAL CA CB sing N N 440 |
|
VAL CA HA sing N N 441 |
|
VAL C O doub N N 442 |
|
VAL C OXT sing N N 443 |
|
VAL CB CG1 sing N N 444 |
|
VAL CB CG2 sing N N 445 |
|
VAL CB HB sing N N 446 |
|
VAL CG1 HG11 sing N N 447 |
|
VAL CG1 HG12 sing N N 448 |
|
VAL CG1 HG13 sing N N 449 |
|
VAL CG2 HG21 sing N N 450 |
|
VAL CG2 HG22 sing N N 451 |
|
VAL CG2 HG23 sing N N 452 |
|
VAL OXT HXT sing N N 453 |
|
# |
|
loop_ |
|
_pdbx_audit_support.funding_organization |
|
_pdbx_audit_support.country |
|
_pdbx_audit_support.grant_number |
|
_pdbx_audit_support.ordinal |
|
'National Science Foundation (NSF, United States)' 'United States' CHE-1566509 1 |
|
'National Science Foundation (NSF, United States)' 'United States' CHE-1213674 2 |
|
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 'United States' P20GM103640 3 |
|
# |
|
loop_ |
|
_pdbx_entity_instance_feature.ordinal |
|
_pdbx_entity_instance_feature.comp_id |
|
_pdbx_entity_instance_feature.asym_id |
|
_pdbx_entity_instance_feature.seq_num |
|
_pdbx_entity_instance_feature.auth_comp_id |
|
_pdbx_entity_instance_feature.auth_asym_id |
|
_pdbx_entity_instance_feature.auth_seq_num |
|
_pdbx_entity_instance_feature.feature_type |
|
_pdbx_entity_instance_feature.details |
|
1 HEM ? ? HEM ? ? 'SUBJECT OF INVESTIGATION' ? |
|
2 NSM ? ? NSM ? ? 'SUBJECT OF INVESTIGATION' ? |
|
# |
|
loop_ |
|
_pdbx_entity_nonpoly.entity_id |
|
_pdbx_entity_nonpoly.name |
|
_pdbx_entity_nonpoly.comp_id |
|
2 'PROTOPORPHYRIN IX CONTAINING FE' HEM |
|
3 NITROSOMETHANE NSM |
|
4 'SULFATE ION' SO4 |
|
5 water HOH |
|
# |
|
_pdbx_initial_refinement_model.id 1 |
|
_pdbx_initial_refinement_model.entity_id_list ? |
|
_pdbx_initial_refinement_model.type 'experimental model' |
|
_pdbx_initial_refinement_model.source_name PDB |
|
_pdbx_initial_refinement_model.accession_code 5ILE |
|
_pdbx_initial_refinement_model.details ? |
|
# |
|
_pdbx_struct_assembly_auth_evidence.id 1 |
|
_pdbx_struct_assembly_auth_evidence.assembly_id 1 |
|
_pdbx_struct_assembly_auth_evidence.experimental_support microscopy |
|
_pdbx_struct_assembly_auth_evidence.details 'UV-Vis spectroscopy supported ligand bound swMb-MeNO' |
|
# |
|
|
