data_4Y4S
# 
_entry.id   4Y4S 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.321 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   4Y4S         
WWPDB D_1000206696 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB '4Y1Q contains HasA Y75A monomer from Yersinia pseudotuberculosis'  4Y1Q unspecified 
PDB '4XZD contains the wild-type HasA from Yersinia pseudotuberculosis' 4XZD unspecified 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        4Y4S 
_pdbx_database_status.recvd_initial_deposition_date   2015-02-11 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Hino, T.'     1 
'Kanadani, M.' 2 
'Muroki, T.'   3 
'Ishimaru, Y.' 4 
'Wada, Y.'     5 
'Sato, T.'     6 
'Ozaki, S.'    7 
# 
_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            J.Inorg.Biochem. 
_citation.journal_id_ASTM           JIBIDJ 
_citation.journal_id_CSD            0525 
_citation.journal_id_ISSN           0162-0134 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            151 
_citation.language                  ? 
_citation.page_first                26 
_citation.page_last                 33 
_citation.title                     
;The crystal structure of heme acquisition system A from Yersinia pseudotuberculosis (HasAypt): Roles of the axial ligand Tyr75 and two distal arginines in heme binding
;
_citation.year                      2015 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1016/j.jinorgbio.2015.07.007 
_citation.pdbx_database_id_PubMed   26210321 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Kanadani, M.' 1 ? 
primary 'Sato, T.'     2 ? 
primary 'Hino, T.'     3 ? 
primary 'Nagano, S.'   4 ? 
primary 'Ozaki, S.'    5 ? 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     4Y4S 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     52.760 
_cell.length_a_esd                 ? 
_cell.length_b                     52.760 
_cell.length_b_esd                 ? 
_cell.length_c                     140.570 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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             ? 
# 
_symmetry.entry_id                         4Y4S 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                96 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 43 21 2' 
_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 'Extracellular heme acquisition hemophore HasA' 23556.930 1  ? Y75A ? ? 
2 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE'               616.487   1  ? ?    ? ? 
3 non-polymer syn 'SULFATE ION'                                   96.063    1  ? ?    ? ? 
4 water       nat water                                           18.015    66 ? ?    ? ? 
# 
_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       
;MRGSHHHHHHGSMSTTIQYNSNYADYSISSYLREWANNFGDIDQAPAETKDRGSFSGSSTLFSGTQYAIGSSHSNPEGMI
AEGDLKASFMPQHTFHGQIDTLQFGKDLATNAGGPSAGKHLEKIDITFNELDLSGEFDSGKSMTENHQGDMHKSVRGLMK
GNPDPMLEVMKAKGINVDTAFKDLSIASQYPDSGYMSDAPMVDTVGVMDSNDMLLAA
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MRGSHHHHHHGSMSTTIQYNSNYADYSISSYLREWANNFGDIDQAPAETKDRGSFSGSSTLFSGTQYAIGSSHSNPEGMI
AEGDLKASFMPQHTFHGQIDTLQFGKDLATNAGGPSAGKHLEKIDITFNELDLSGEFDSGKSMTENHQGDMHKSVRGLMK
GNPDPMLEVMKAKGINVDTAFKDLSIASQYPDSGYMSDAPMVDTVGVMDSNDMLLAA
;
_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   ARG n 
1 3   GLY n 
1 4   SER n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   HIS n 
1 9   HIS n 
1 10  HIS n 
1 11  GLY n 
1 12  SER n 
1 13  MET n 
1 14  SER n 
1 15  THR n 
1 16  THR n 
1 17  ILE n 
1 18  GLN n 
1 19  TYR n 
1 20  ASN n 
1 21  SER n 
1 22  ASN n 
1 23  TYR n 
1 24  ALA n 
1 25  ASP n 
1 26  TYR n 
1 27  SER n 
1 28  ILE n 
1 29  SER n 
1 30  SER n 
1 31  TYR n 
1 32  LEU n 
1 33  ARG n 
1 34  GLU n 
1 35  TRP n 
1 36  ALA n 
1 37  ASN n 
1 38  ASN n 
1 39  PHE n 
1 40  GLY n 
1 41  ASP n 
1 42  ILE n 
1 43  ASP n 
1 44  GLN n 
1 45  ALA n 
1 46  PRO n 
1 47  ALA n 
1 48  GLU n 
1 49  THR n 
1 50  LYS n 
1 51  ASP n 
1 52  ARG n 
1 53  GLY n 
1 54  SER n 
1 55  PHE n 
1 56  SER n 
1 57  GLY n 
1 58  SER n 
1 59  SER n 
1 60  THR n 
1 61  LEU n 
1 62  PHE n 
1 63  SER n 
1 64  GLY n 
1 65  THR n 
1 66  GLN n 
1 67  TYR n 
1 68  ALA n 
1 69  ILE n 
1 70  GLY n 
1 71  SER n 
1 72  SER n 
1 73  HIS n 
1 74  SER n 
1 75  ASN n 
1 76  PRO n 
1 77  GLU n 
1 78  GLY n 
1 79  MET n 
1 80  ILE n 
1 81  ALA n 
1 82  GLU n 
1 83  GLY n 
1 84  ASP n 
1 85  LEU n 
1 86  LYS n 
1 87  ALA n 
1 88  SER n 
1 89  PHE n 
1 90  MET n 
1 91  PRO n 
1 92  GLN n 
1 93  HIS n 
1 94  THR n 
1 95  PHE n 
1 96  HIS n 
1 97  GLY n 
1 98  GLN n 
1 99  ILE n 
1 100 ASP n 
1 101 THR n 
1 102 LEU n 
1 103 GLN n 
1 104 PHE n 
1 105 GLY n 
1 106 LYS n 
1 107 ASP n 
1 108 LEU n 
1 109 ALA n 
1 110 THR n 
1 111 ASN n 
1 112 ALA n 
1 113 GLY n 
1 114 GLY n 
1 115 PRO n 
1 116 SER n 
1 117 ALA n 
1 118 GLY n 
1 119 LYS n 
1 120 HIS n 
1 121 LEU n 
1 122 GLU n 
1 123 LYS n 
1 124 ILE n 
1 125 ASP n 
1 126 ILE n 
1 127 THR n 
1 128 PHE n 
1 129 ASN n 
1 130 GLU n 
1 131 LEU n 
1 132 ASP n 
1 133 LEU n 
1 134 SER n 
1 135 GLY n 
1 136 GLU n 
1 137 PHE n 
1 138 ASP n 
1 139 SER n 
1 140 GLY n 
1 141 LYS n 
1 142 SER n 
1 143 MET n 
1 144 THR n 
1 145 GLU n 
1 146 ASN n 
1 147 HIS n 
1 148 GLN n 
1 149 GLY n 
1 150 ASP n 
1 151 MET n 
1 152 HIS n 
1 153 LYS n 
1 154 SER n 
1 155 VAL n 
1 156 ARG n 
1 157 GLY n 
1 158 LEU n 
1 159 MET n 
1 160 LYS n 
1 161 GLY n 
1 162 ASN n 
1 163 PRO n 
1 164 ASP n 
1 165 PRO n 
1 166 MET n 
1 167 LEU n 
1 168 GLU n 
1 169 VAL n 
1 170 MET n 
1 171 LYS n 
1 172 ALA n 
1 173 LYS n 
1 174 GLY n 
1 175 ILE n 
1 176 ASN n 
1 177 VAL n 
1 178 ASP n 
1 179 THR n 
1 180 ALA n 
1 181 PHE n 
1 182 LYS n 
1 183 ASP n 
1 184 LEU n 
1 185 SER n 
1 186 ILE n 
1 187 ALA n 
1 188 SER n 
1 189 GLN n 
1 190 TYR n 
1 191 PRO n 
1 192 ASP n 
1 193 SER n 
1 194 GLY n 
1 195 TYR n 
1 196 MET n 
1 197 SER n 
1 198 ASP n 
1 199 ALA n 
1 200 PRO n 
1 201 MET n 
1 202 VAL n 
1 203 ASP n 
1 204 THR n 
1 205 VAL n 
1 206 GLY n 
1 207 VAL n 
1 208 MET n 
1 209 ASP n 
1 210 SER n 
1 211 ASN n 
1 212 ASP n 
1 213 MET n 
1 214 LEU n 
1 215 LEU n 
1 216 ALA n 
1 217 ALA 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                   217 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'HasA, YPTB0114' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    IP32953 
_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      'Yersinia pseudotuberculosis IP 32953' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     273123 
_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' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_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               M15 
_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          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       pQE-30 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q66G68_YERPS 
_struct_ref.pdbx_db_accession          Q66G68 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MSTTIQYNSNYADYSISSYLREWANNFGDIDQAPAETKDRGSFSGSSTLFSGTQYAIGSSHSNPEGMIAEGDLKYSFMPQ
HTFHGQIDTLQFGKDLATNAGGPSAGKHLEKIDITFNELDLSGEFDSGKSMTENHQGDMHKSVRGLMKGNPDPMLEVMKA
KGINVDTAFKDLSIASQYPDSGYMSDAPMVDTVGVMDSNDMLLAA
;
_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              4Y4S 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 13 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 217 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q66G68 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  205 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       205 
# 
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 4Y4S MET A 1  ? UNP Q66G68 ?   ?  'expression tag'      -11 1  
1 4Y4S ARG A 2  ? UNP Q66G68 ?   ?  'expression tag'      -10 2  
1 4Y4S GLY A 3  ? UNP Q66G68 ?   ?  'expression tag'      -9  3  
1 4Y4S SER A 4  ? UNP Q66G68 ?   ?  'expression tag'      -8  4  
1 4Y4S HIS A 5  ? UNP Q66G68 ?   ?  'expression tag'      -7  5  
1 4Y4S HIS A 6  ? UNP Q66G68 ?   ?  'expression tag'      -6  6  
1 4Y4S HIS A 7  ? UNP Q66G68 ?   ?  'expression tag'      -5  7  
1 4Y4S HIS A 8  ? UNP Q66G68 ?   ?  'expression tag'      -4  8  
1 4Y4S HIS A 9  ? UNP Q66G68 ?   ?  'expression tag'      -3  9  
1 4Y4S HIS A 10 ? UNP Q66G68 ?   ?  'expression tag'      -2  10 
1 4Y4S GLY A 11 ? UNP Q66G68 ?   ?  'expression tag'      -1  11 
1 4Y4S SER A 12 ? UNP Q66G68 ?   ?  'expression tag'      0   12 
1 4Y4S ALA A 87 ? UNP Q66G68 TYR 75 'engineered mutation' 75  13 
# 
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 
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                   4Y4S 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
loop_
_exptl_crystal.colour 
_exptl_crystal.density_diffrn 
_exptl_crystal.density_Matthews 
_exptl_crystal.density_method 
_exptl_crystal.density_percent_sol 
_exptl_crystal.description 
_exptl_crystal.F_000 
_exptl_crystal.id 
_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 
? ? 2.09 ? 41.05 ? ? 1 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
? ? ?    ? ?     ? ? 2 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              9.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '1 M Bicine pH 9.0, 1.8 M Ammnonium acetate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_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_detector.details                      ? 
_diffrn_detector.detector                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'RIGAKU JUPITER 210' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2012-11-13 
# 
_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 
# 
loop_
_diffrn_radiation_wavelength.id 
_diffrn_radiation_wavelength.wavelength 
_diffrn_radiation_wavelength.wt 
1 1.0000 1.0 
2 1.000  1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SPRING-8 BEAMLINE BL26B1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.000 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL26B1 
_diffrn_source.pdbx_synchrotron_site       SPring-8 
# 
_reflns.B_iso_Wilson_estimate            18.600 
_reflns.entry_id                         4Y4S 
_reflns.data_reduction_details           ? 
_reflns.data_reduction_method            ? 
_reflns.d_resolution_high                1.750 
_reflns.d_resolution_low                 49.395 
_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                       20936 
_reflns.number_obs                       20936 
_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             100.000 
_reflns.R_free_details                   ? 
_reflns.Rmerge_F_all                     ? 
_reflns.Rmerge_F_obs                     ? 
_reflns.Friedel_coverage                 ? 
_reflns.number_gt                        ? 
_reflns.threshold_expression             ? 
_reflns.pdbx_redundancy                  12.400 
_reflns.pdbx_Rmerge_I_obs                ? 
_reflns.pdbx_Rmerge_I_all                ? 
_reflns.pdbx_Rsym_value                  0.094 
_reflns.pdbx_netI_over_av_sigmaI         6.236 
_reflns.pdbx_netI_over_sigmaI            18.200 
_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                  0.098 
_reflns.pdbx_Rpim_I_all                  0.027 
_reflns.pdbx_d_opt                       ? 
_reflns.pdbx_number_measured_all         260147 
_reflns.pdbx_diffrn_id                   1 
_reflns.pdbx_ordinal                     1 
_reflns.pdbx_CC_half                     ? 
_reflns.pdbx_R_split                     ? 
# 
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_all 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_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_Rsym_value 
_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_R_split 
1.750 1.840  ? 1.500  23518 ? ? 2967 ? 99.900  ? ? ? ? 0.505 ? ? ? ? ? ? ? ? 7.900  0.505 ? ? 3.600  ? 0.185 0 1  1 ? ? 
1.840 1.960  ? 1.700  34599 ? ? 2840 ? 100.000 ? ? ? ? 0.454 ? ? ? ? ? ? ? ? 12.200 0.454 ? ? 5.500  ? 0.134 0 2  1 ? ? 
1.960 2.090  ? 2.200  36112 ? ? 2655 ? 100.000 ? ? ? ? 0.349 ? ? ? ? ? ? ? ? 13.600 0.349 ? ? 7.700  ? 0.098 0 3  1 ? ? 
2.090 2.260  ? 3.300  33887 ? ? 2482 ? 100.000 ? ? ? ? 0.231 ? ? ? ? ? ? ? ? 13.700 0.231 ? ? 11.400 ? 0.065 0 4  1 ? ? 
2.260 2.470  ? 4.400  31524 ? ? 2314 ? 100.000 ? ? ? ? 0.171 ? ? ? ? ? ? ? ? 13.600 0.171 ? ? 14.900 ? 0.048 0 5  1 ? ? 
2.470 2.770  ? 5.500  28603 ? ? 2106 ? 100.000 ? ? ? ? 0.128 ? ? ? ? ? ? ? ? 13.600 0.128 ? ? 20.300 ? 0.036 0 6  1 ? ? 
2.770 3.200  ? 7.500  25328 ? ? 1880 ? 100.000 ? ? ? ? 0.086 ? ? ? ? ? ? ? ? 13.500 0.086 ? ? 28.300 ? 0.024 0 7  1 ? ? 
3.200 3.910  ? 10.600 21364 ? ? 1610 ? 100.000 ? ? ? ? 0.057 ? ? ? ? ? ? ? ? 13.300 0.057 ? ? 40.900 ? 0.016 0 8  1 ? ? 
3.910 5.530  ? 12.800 16513 ? ? 1293 ? 100.000 ? ? ? ? 0.043 ? ? ? ? ? ? ? ? 12.800 0.043 ? ? 51.800 ? 0.012 0 9  1 ? ? 
5.530 32.953 ? 17.800 8699  ? ? 789  ? 99.400  ? ? ? ? 0.031 ? ? ? ? ? ? ? ? 11.000 0.031 ? ? 53.700 ? 0.010 0 10 1 ? ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                109.060 
_refine.B_iso_mean                               27.1671 
_refine.B_iso_min                                6.530 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_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                                 4Y4S 
_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                             32.9530 
_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                     20864 
_refine.ls_number_reflns_R_free                  1069 
_refine.ls_number_reflns_R_work                  19795 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.9800 
_refine.ls_percent_reflns_R_free                 5.1200 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2051 
_refine.ls_R_factor_R_free                       0.2397 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2033 
_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                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_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                          1.440 
_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               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          SAD 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_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                 20.0400 
_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                             ? 
_refine.overall_SU_ML                            0.2100 
_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.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.7500 
_refine_hist.d_res_low                        32.9530 
_refine_hist.pdbx_number_atoms_ligand         48 
_refine_hist.number_atoms_solvent             66 
_refine_hist.number_atoms_total               1291 
_refine_hist.pdbx_number_residues_total       155 
_refine_hist.pdbx_B_iso_mean_ligand           32.34 
_refine_hist.pdbx_B_iso_mean_solvent          28.36 
_refine_hist.pdbx_number_atoms_protein        1177 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
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' ? 0.016  ? 1255 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.657  ? 1706 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.077  ? 171  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.009  ? 220  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 17.686 ? 438  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_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 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_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_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
'X-RAY DIFFRACTION' 1.7501 1.8297  2537 . 133 2404 100.0000 . . . 0.3067 . 0.2887 . . . . . . 8 . . . 
'X-RAY DIFFRACTION' 1.8297 1.9262  2536 . 135 2401 100.0000 . . . 0.2999 . 0.2550 . . . . . . 8 . . . 
'X-RAY DIFFRACTION' 1.9262 2.0468  2559 . 123 2436 100.0000 . . . 0.2787 . 0.2251 . . . . . . 8 . . . 
'X-RAY DIFFRACTION' 2.0468 2.2049  2586 . 145 2441 100.0000 . . . 0.2345 . 0.2004 . . . . . . 8 . . . 
'X-RAY DIFFRACTION' 2.2049 2.4267  2566 . 151 2415 100.0000 . . . 0.2392 . 0.1887 . . . . . . 8 . . . 
'X-RAY DIFFRACTION' 2.4267 2.7777  2621 . 133 2488 100.0000 . . . 0.2252 . 0.1905 . . . . . . 8 . . . 
'X-RAY DIFFRACTION' 2.7777 3.4989  2642 . 126 2516 100.0000 . . . 0.2490 . 0.1987 . . . . . . 8 . . . 
'X-RAY DIFFRACTION' 3.4989 32.9584 2817 . 123 2694 100.0000 . . . 0.2071 . 0.1877 . . . . . . 8 . . . 
# 
_struct.entry_id                     4Y4S 
_struct.title                        'Crystal Structure of Y75A HasA dimer from Yersinia pseudotuberculosis' 
_struct.pdbx_descriptor              'Extracellular heme acquisition hemophore HasA' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               ? 
# 
_struct_keywords.entry_id        4Y4S 
_struct_keywords.text            'hemophore, heme acquisition, HEME BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'HEME BINDING 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 ? 
# 
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 ASN A 20  ? ALA A 24  ? ASN A 8   ALA A 12  5 ? 5  
HELX_P HELX_P2 AA2 SER A 27  ? ASN A 38  ? SER A 15  ASN A 26  1 ? 12 
HELX_P HELX_P3 AA3 GLY A 114 ? ALA A 117 ? GLY A 102 ALA A 105 5 ? 4  
HELX_P HELX_P4 AA4 LEU A 133 ? PHE A 137 ? LEU A 121 PHE A 125 5 ? 5  
HELX_P HELX_P5 AA5 MET A 151 ? LYS A 160 ? MET A 139 LYS A 148 1 ? 10 
HELX_P HELX_P6 AA6 PRO A 163 ? LYS A 173 ? PRO A 151 LYS A 161 1 ? 11 
HELX_P HELX_P7 AA7 ALA A 180 ? LEU A 184 ? ALA A 168 LEU A 172 5 ? 5  
# 
_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 
metalc1 metalc ? ? A HIS 96  NE2 ? ? ? 1_555 B HEM . FE ? ? A HIS 84  A HEM 301 1_555 ? ? ? ? ? ? ? 2.151 ? 
metalc2 metalc ? ? A HIS 152 NE2 ? ? ? 1_555 B HEM . FE ? ? A HIS 140 A HEM 301 7_555 ? ? ? ? ? ? ? 2.372 ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           59 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            47 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   THR 
_struct_mon_prot_cis.pdbx_label_seq_id_2    60 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    THR 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     48 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -5.69 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   4 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 SER A 63  ? GLY A 70  ? SER A 51  GLY A 58  
AA1 2 GLU A 77  ? LEU A 85  ? GLU A 65  LEU A 73  
AA1 3 THR A 101 ? THR A 110 ? THR A 89  THR A 98  
AA1 4 LYS A 119 ? ASN A 129 ? LYS A 107 ASN A 117 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N TYR A 67  ? N TYR A 55 O ALA A 81  ? O ALA A 69  
AA1 2 3 N GLY A 78  ? N GLY A 66 O GLY A 105 ? O GLY A 93  
AA1 3 4 N LEU A 102 ? N LEU A 90 O PHE A 128 ? O PHE A 116 
# 
loop_
_struct_site.id 
_struct_site.pdbx_evidence_code 
_struct_site.pdbx_auth_asym_id 
_struct_site.pdbx_auth_comp_id 
_struct_site.pdbx_auth_seq_id 
_struct_site.pdbx_auth_ins_code 
_struct_site.pdbx_num_residues 
_struct_site.details 
AC1 Software A HEM 301 ? 13 'binding site for residue HEM A 301' 
AC2 Software A SO4 302 ? 4  'binding site for residue SO4 A 302' 
# 
loop_
_struct_site_gen.id 
_struct_site_gen.site_id 
_struct_site_gen.pdbx_num_res 
_struct_site_gen.label_comp_id 
_struct_site_gen.label_asym_id 
_struct_site_gen.label_seq_id 
_struct_site_gen.pdbx_auth_ins_code 
_struct_site_gen.auth_comp_id 
_struct_site_gen.auth_asym_id 
_struct_site_gen.auth_seq_id 
_struct_site_gen.label_atom_id 
_struct_site_gen.label_alt_id 
_struct_site_gen.symmetry 
_struct_site_gen.details 
1  AC1 13 GLY A 57  ? GLY A 45  . ? 1_555 ? 
2  AC1 13 TYR A 67  ? TYR A 55  . ? 7_555 ? 
3  AC1 13 ILE A 69  ? ILE A 57  . ? 7_555 ? 
4  AC1 13 ALA A 81  ? ALA A 69  . ? 7_555 ? 
5  AC1 13 THR A 94  ? THR A 82  . ? 1_555 ? 
6  AC1 13 PHE A 95  ? PHE A 83  . ? 1_555 ? 
7  AC1 13 HIS A 96  ? HIS A 84  . ? 7_555 ? 
8  AC1 13 HIS A 96  ? HIS A 84  . ? 1_555 ? 
9  AC1 13 GLY A 97  ? GLY A 85  . ? 7_555 ? 
10 AC1 13 PHE A 137 ? PHE A 125 . ? 7_555 ? 
11 AC1 13 HIS A 152 ? HIS A 140 . ? 7_555 ? 
12 AC1 13 ARG A 156 ? ARG A 144 . ? 7_555 ? 
13 AC1 13 MET A 159 ? MET A 147 . ? 7_555 ? 
14 AC2 4  TYR A 19  ? TYR A 7   . ? 1_555 ? 
15 AC2 4  SER A 188 ? SER A 176 . ? 7_555 ? 
16 AC2 4  GLN A 189 ? GLN A 177 . ? 7_555 ? 
17 AC2 4  HOH D .   ? HOH A 431 . ? 7_555 ? 
# 
_atom_sites.entry_id                    4Y4S 
_atom_sites.fract_transf_matrix[1][1]   0.018954 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.018954 
_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]   0.007114 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
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   . MET A 1 13  ? -16.940 -24.442 22.427  1.00 38.24  ? 1   MET A N   1 
ATOM   2    C  CA  . MET A 1 13  ? -16.763 -22.990 22.365  1.00 30.45  ? 1   MET A CA  1 
ATOM   3    C  C   . MET A 1 13  ? -18.109 -22.286 22.421  1.00 33.32  ? 1   MET A C   1 
ATOM   4    O  O   . MET A 1 13  ? -19.033 -22.633 21.692  1.00 37.82  ? 1   MET A O   1 
ATOM   5    C  CB  . MET A 1 13  ? -16.021 -22.559 21.081  1.00 27.41  ? 1   MET A CB  1 
ATOM   6    C  CG  . MET A 1 13  ? -14.732 -23.327 20.801  1.00 33.28  ? 1   MET A CG  1 
ATOM   7    S  SD  . MET A 1 13  ? -13.577 -23.255 22.199  1.00 36.27  ? 1   MET A SD  1 
ATOM   8    C  CE  . MET A 1 13  ? -12.517 -24.673 21.802  1.00 28.70  ? 1   MET A CE  1 
ATOM   9    N  N   . SER A 1 14  ? -18.182 -21.280 23.274  1.00 19.15  ? 2   SER A N   1 
ATOM   10   C  CA  . SER A 1 14  ? -19.387 -20.547 23.526  1.00 20.33  ? 2   SER A CA  1 
ATOM   11   C  C   . SER A 1 14  ? -19.591 -19.510 22.417  1.00 23.29  ? 2   SER A C   1 
ATOM   12   O  O   . SER A 1 14  ? -18.627 -19.011 21.820  1.00 15.54  ? 2   SER A O   1 
ATOM   13   C  CB  . SER A 1 14  ? -19.301 -19.878 24.898  1.00 32.11  ? 2   SER A CB  1 
ATOM   14   O  OG  . SER A 1 14  ? -18.310 -18.849 24.883  1.00 22.32  ? 2   SER A OG  1 
ATOM   15   N  N   . THR A 1 15  ? -20.850 -19.206 22.140  1.00 16.91  ? 3   THR A N   1 
ATOM   16   C  CA  . THR A 1 15  ? -21.212 -18.246 21.138  1.00 18.35  ? 3   THR A CA  1 
ATOM   17   C  C   . THR A 1 15  ? -20.795 -16.855 21.586  1.00 22.83  ? 3   THR A C   1 
ATOM   18   O  O   . THR A 1 15  ? -20.996 -16.499 22.765  1.00 15.73  ? 3   THR A O   1 
ATOM   19   C  CB  . THR A 1 15  ? -22.746 -18.301 20.896  1.00 13.57  ? 3   THR A CB  1 
ATOM   20   O  OG1 . THR A 1 15  ? -23.108 -19.599 20.423  1.00 16.61  ? 3   THR A OG1 1 
ATOM   21   C  CG2 . THR A 1 15  ? -23.188 -17.213 19.939  1.00 12.80  ? 3   THR A CG2 1 
ATOM   22   N  N   . THR A 1 16  ? -20.205 -16.084 20.671  1.00 11.62  ? 4   THR A N   1 
ATOM   23   C  CA  . THR A 1 16  ? -19.910 -14.677 20.933  1.00 12.94  ? 4   THR A CA  1 
ATOM   24   C  C   . THR A 1 16  ? -20.517 -13.859 19.787  1.00 14.51  ? 4   THR A C   1 
ATOM   25   O  O   . THR A 1 16  ? -20.788 -14.407 18.695  1.00 12.78  ? 4   THR A O   1 
ATOM   26   C  CB  . THR A 1 16  ? -18.354 -14.402 21.084  1.00 13.28  ? 4   THR A CB  1 
ATOM   27   O  OG1 . THR A 1 16  ? -17.716 -14.751 19.842  1.00 13.33  ? 4   THR A OG1 1 
ATOM   28   C  CG2 . THR A 1 16  ? -17.787 -15.194 22.267  1.00 18.40  ? 4   THR A CG2 1 
ATOM   29   N  N   . ILE A 1 17  ? -20.809 -12.581 20.058  1.00 9.99   ? 5   ILE A N   1 
ATOM   30   C  CA  . ILE A 1 17  ? -21.493 -11.740 19.080  1.00 12.54  ? 5   ILE A CA  1 
ATOM   31   C  C   . ILE A 1 17  ? -20.798 -10.420 18.928  1.00 13.88  ? 5   ILE A C   1 
ATOM   32   O  O   . ILE A 1 17  ? -20.351 -9.813  19.930  1.00 13.94  ? 5   ILE A O   1 
ATOM   33   C  CB  . ILE A 1 17  ? -22.944 -11.462 19.497  1.00 13.86  ? 5   ILE A CB  1 
ATOM   34   C  CG1 . ILE A 1 17  ? -23.679 -12.780 19.601  1.00 13.40  ? 5   ILE A CG1 1 
ATOM   35   C  CG2 . ILE A 1 17  ? -23.635 -10.525 18.495  1.00 9.49   ? 5   ILE A CG2 1 
ATOM   36   C  CD1 . ILE A 1 17  ? -25.032 -12.616 20.293  1.00 14.03  ? 5   ILE A CD1 1 
ATOM   37   N  N   . GLN A 1 18  ? -20.656 -9.962  17.698  1.00 12.75  ? 6   GLN A N   1 
ATOM   38   C  CA  . GLN A 1 18  ? -20.013 -8.687  17.455  1.00 12.12  ? 6   GLN A CA  1 
ATOM   39   C  C   . GLN A 1 18  ? -21.004 -7.738  16.862  1.00 12.63  ? 6   GLN A C   1 
ATOM   40   O  O   . GLN A 1 18  ? -21.710 -8.114  15.924  1.00 14.37  ? 6   GLN A O   1 
ATOM   41   C  CB  . GLN A 1 18  ? -18.800 -8.838  16.508  1.00 13.33  ? 6   GLN A CB  1 
ATOM   42   C  CG  . GLN A 1 18  ? -17.712 -9.670  17.123  1.00 13.29  ? 6   GLN A CG  1 
ATOM   43   C  CD  . GLN A 1 18  ? -16.568 -9.903  16.145  1.00 18.60  ? 6   GLN A CD  1 
ATOM   44   O  OE1 . GLN A 1 18  ? -16.653 -10.792 15.327  1.00 13.01  ? 6   GLN A OE1 1 
ATOM   45   N  NE2 . GLN A 1 18  ? -15.521 -9.072  16.204  1.00 14.69  ? 6   GLN A NE2 1 
ATOM   46   N  N   . TYR A 1 19  ? -21.031 -6.492  17.332  1.00 14.45  ? 7   TYR A N   1 
ATOM   47   C  CA  . TYR A 1 19  ? -21.997 -5.566  16.745  1.00 16.74  ? 7   TYR A CA  1 
ATOM   48   C  C   . TYR A 1 19  ? -21.414 -4.221  16.367  1.00 18.20  ? 7   TYR A C   1 
ATOM   49   O  O   . TYR A 1 19  ? -20.458 -3.770  16.982  1.00 16.80  ? 7   TYR A O   1 
ATOM   50   C  CB  . TYR A 1 19  ? -23.179 -5.373  17.733  1.00 13.06  ? 7   TYR A CB  1 
ATOM   51   C  CG  . TYR A 1 19  ? -22.758 -4.722  19.049  1.00 13.90  ? 7   TYR A CG  1 
ATOM   52   C  CD1 . TYR A 1 19  ? -22.240 -5.484  20.087  1.00 14.34  ? 7   TYR A CD1 1 
ATOM   53   C  CD2 . TYR A 1 19  ? -22.858 -3.350  19.234  1.00 17.47  ? 7   TYR A CD2 1 
ATOM   54   C  CE1 . TYR A 1 19  ? -21.844 -4.879  21.352  1.00 14.57  ? 7   TYR A CE1 1 
ATOM   55   C  CE2 . TYR A 1 19  ? -22.477 -2.744  20.484  1.00 16.08  ? 7   TYR A CE2 1 
ATOM   56   C  CZ  . TYR A 1 19  ? -21.959 -3.510  21.488  1.00 19.67  ? 7   TYR A CZ  1 
ATOM   57   O  OH  . TYR A 1 19  ? -21.580 -2.945  22.655  1.00 21.30  ? 7   TYR A OH  1 
ATOM   58   N  N   . ASN A 1 20  ? -21.989 -3.587  15.348  1.00 15.43  ? 8   ASN A N   1 
ATOM   59   C  CA  . ASN A 1 20  ? -21.573 -2.248  14.966  1.00 16.44  ? 8   ASN A CA  1 
ATOM   60   C  C   . ASN A 1 20  ? -22.123 -1.235  16.005  1.00 22.55  ? 8   ASN A C   1 
ATOM   61   O  O   . ASN A 1 20  ? -23.216 -1.413  16.517  1.00 19.07  ? 8   ASN A O   1 
ATOM   62   C  CB  . ASN A 1 20  ? -22.052 -1.931  13.550  1.00 14.23  ? 8   ASN A CB  1 
ATOM   63   C  CG  . ASN A 1 20  ? -21.695 -0.526  13.111  1.00 28.79  ? 8   ASN A CG  1 
ATOM   64   O  OD1 . ASN A 1 20  ? -22.377 0.441   13.456  1.00 24.01  ? 8   ASN A OD1 1 
ATOM   65   N  ND2 . ASN A 1 20  ? -20.609 -0.401  12.359  1.00 28.77  ? 8   ASN A ND2 1 
ATOM   66   N  N   . SER A 1 21  ? -21.343 -0.215  16.349  1.00 20.86  ? 9   SER A N   1 
ATOM   67   C  CA  . SER A 1 21  ? -21.705 0.679   17.451  1.00 25.59  ? 9   SER A CA  1 
ATOM   68   C  C   . SER A 1 21  ? -23.056 1.352   17.237  1.00 18.54  ? 9   SER A C   1 
ATOM   69   O  O   . SER A 1 21  ? -23.692 1.778   18.195  1.00 23.42  ? 9   SER A O   1 
ATOM   70   C  CB  . SER A 1 21  ? -20.622 1.756   17.648  1.00 22.76  ? 9   SER A CB  1 
ATOM   71   O  OG  . SER A 1 21  ? -20.571 2.609   16.524  1.00 25.88  ? 9   SER A OG  1 
ATOM   72   N  N   . ASN A 1 22  ? -23.495 1.431   15.997  1.00 19.43  ? 10  ASN A N   1 
ATOM   73   C  CA  . ASN A 1 22  ? -24.782 2.018   15.708  1.00 19.91  ? 10  ASN A CA  1 
ATOM   74   C  C   . ASN A 1 22  ? -25.920 1.192   16.308  1.00 24.78  ? 10  ASN A C   1 
ATOM   75   O  O   . ASN A 1 22  ? -27.011 1.710   16.498  1.00 23.04  ? 10  ASN A O   1 
ATOM   76   C  CB  . ASN A 1 22  ? -24.967 2.184   14.203  1.00 22.31  ? 10  ASN A CB  1 
ATOM   77   C  CG  . ASN A 1 22  ? -23.972 3.183   13.599  1.00 34.54  ? 10  ASN A CG  1 
ATOM   78   O  OD1 . ASN A 1 22  ? -23.490 4.093   14.282  1.00 41.37  ? 10  ASN A OD1 1 
ATOM   79   N  ND2 . ASN A 1 22  ? -23.662 3.009   12.316  1.00 43.52  ? 10  ASN A ND2 1 
ATOM   80   N  N   . TYR A 1 23  ? -25.677 -0.077  16.618  1.00 20.88  ? 11  TYR A N   1 
ATOM   81   C  CA  . TYR A 1 23  ? -26.763 -0.905  17.158  1.00 18.60  ? 11  TYR A CA  1 
ATOM   82   C  C   . TYR A 1 23  ? -26.590 -1.220  18.641  1.00 17.34  ? 11  TYR A C   1 
ATOM   83   O  O   . TYR A 1 23  ? -27.228 -2.136  19.179  1.00 18.54  ? 11  TYR A O   1 
ATOM   84   C  CB  . TYR A 1 23  ? -26.898 -2.195  16.307  1.00 17.59  ? 11  TYR A CB  1 
ATOM   85   C  CG  . TYR A 1 23  ? -27.244 -1.843  14.883  1.00 23.38  ? 11  TYR A CG  1 
ATOM   86   C  CD1 . TYR A 1 23  ? -28.562 -1.637  14.509  1.00 18.70  ? 11  TYR A CD1 1 
ATOM   87   C  CD2 . TYR A 1 23  ? -26.254 -1.641  13.924  1.00 18.24  ? 11  TYR A CD2 1 
ATOM   88   C  CE1 . TYR A 1 23  ? -28.905 -1.260  13.218  1.00 18.58  ? 11  TYR A CE1 1 
ATOM   89   C  CE2 . TYR A 1 23  ? -26.581 -1.278  12.646  1.00 18.88  ? 11  TYR A CE2 1 
ATOM   90   C  CZ  . TYR A 1 23  ? -27.907 -1.087  12.293  1.00 21.49  ? 11  TYR A CZ  1 
ATOM   91   O  OH  . TYR A 1 23  ? -28.258 -0.704  11.028  1.00 21.28  ? 11  TYR A OH  1 
ATOM   92   N  N   . ALA A 1 24  ? -25.757 -0.433  19.328  1.00 17.17  ? 12  ALA A N   1 
ATOM   93   C  CA  . ALA A 1 24  ? -25.443 -0.685  20.732  1.00 18.61  ? 12  ALA A CA  1 
ATOM   94   C  C   . ALA A 1 24  ? -26.678 -0.733  21.619  1.00 13.49  ? 12  ALA A C   1 
ATOM   95   O  O   . ALA A 1 24  ? -26.723 -1.489  22.586  1.00 17.08  ? 12  ALA A O   1 
ATOM   96   C  CB  . ALA A 1 24  ? -24.466 0.397   21.251  1.00 23.12  ? 12  ALA A CB  1 
ATOM   97   N  N   . ASP A 1 25  ? -27.692 0.069   21.291  1.00 19.26  ? 13  ASP A N   1 
ATOM   98   C  CA  . ASP A 1 25  ? -28.899 0.101   22.148  1.00 22.13  ? 13  ASP A CA  1 
ATOM   99   C  C   . ASP A 1 25  ? -29.974 -0.916  21.735  1.00 28.96  ? 13  ASP A C   1 
ATOM   100  O  O   . ASP A 1 25  ? -30.983 -1.035  22.410  1.00 21.86  ? 13  ASP A O   1 
ATOM   101  C  CB  . ASP A 1 25  ? -29.540 1.502   22.155  1.00 27.98  ? 13  ASP A CB  1 
ATOM   102  C  CG  . ASP A 1 25  ? -28.653 2.570   22.800  1.00 26.56  ? 13  ASP A CG  1 
ATOM   103  O  OD1 . ASP A 1 25  ? -27.797 2.251   23.627  1.00 27.45  ? 13  ASP A OD1 1 
ATOM   104  O  OD2 . ASP A 1 25  ? -28.833 3.752   22.469  1.00 44.99  ? 13  ASP A OD2 1 
ATOM   105  N  N   . TYR A 1 26  ? -29.764 -1.631  20.627  1.00 19.18  ? 14  TYR A N   1 
ATOM   106  C  CA  . TYR A 1 26  ? -30.675 -2.687  20.169  1.00 16.88  ? 14  TYR A CA  1 
ATOM   107  C  C   . TYR A 1 26  ? -30.466 -3.991  20.916  1.00 16.50  ? 14  TYR A C   1 
ATOM   108  O  O   . TYR A 1 26  ? -29.366 -4.235  21.395  1.00 21.99  ? 14  TYR A O   1 
ATOM   109  C  CB  . TYR A 1 26  ? -30.458 -2.941  18.660  1.00 15.33  ? 14  TYR A CB  1 
ATOM   110  C  CG  . TYR A 1 26  ? -30.990 -1.907  17.697  1.00 18.42  ? 14  TYR A CG  1 
ATOM   111  C  CD1 . TYR A 1 26  ? -30.471 -0.613  17.628  1.00 16.08  ? 14  TYR A CD1 1 
ATOM   112  C  CD2 . TYR A 1 26  ? -31.952 -2.262  16.796  1.00 15.02  ? 14  TYR A CD2 1 
ATOM   113  C  CE1 . TYR A 1 26  ? -30.950 0.294   16.708  1.00 22.79  ? 14  TYR A CE1 1 
ATOM   114  C  CE2 . TYR A 1 26  ? -32.435 -1.383  15.882  1.00 20.28  ? 14  TYR A CE2 1 
ATOM   115  C  CZ  . TYR A 1 26  ? -31.933 -0.105  15.826  1.00 22.63  ? 14  TYR A CZ  1 
ATOM   116  O  OH  . TYR A 1 26  ? -32.459 0.738   14.865  1.00 25.00  ? 14  TYR A OH  1 
ATOM   117  N  N   . SER A 1 27  ? -31.501 -4.825  21.028  1.00 14.65  ? 15  SER A N   1 
ATOM   118  C  CA  . SER A 1 27  ? -31.338 -6.235  21.415  1.00 14.44  ? 15  SER A CA  1 
ATOM   119  C  C   . SER A 1 27  ? -31.272 -7.065  20.112  1.00 9.10   ? 15  SER A C   1 
ATOM   120  O  O   . SER A 1 27  ? -31.500 -6.547  19.007  1.00 12.44  ? 15  SER A O   1 
ATOM   121  C  CB  . SER A 1 27  ? -32.499 -6.739  22.276  1.00 14.13  ? 15  SER A CB  1 
ATOM   122  O  OG  . SER A 1 27  ? -33.677 -6.461  21.519  1.00 14.27  ? 15  SER A OG  1 
ATOM   123  N  N   . ILE A 1 28  ? -30.983 -8.348  20.245  1.00 10.72  ? 16  ILE A N   1 
ATOM   124  C  CA  . ILE A 1 28  ? -31.021 -9.251  19.090  1.00 9.01   ? 16  ILE A CA  1 
ATOM   125  C  C   . ILE A 1 28  ? -32.425 -9.241  18.534  1.00 12.09  ? 16  ILE A C   1 
ATOM   126  O  O   . ILE A 1 28  ? -32.643 -9.138  17.327  1.00 11.08  ? 16  ILE A O   1 
ATOM   127  C  CB  . ILE A 1 28  ? -30.654 -10.665 19.512  1.00 8.45   ? 16  ILE A CB  1 
ATOM   128  C  CG1 . ILE A 1 28  ? -29.176 -10.718 19.938  1.00 10.58  ? 16  ILE A CG1 1 
ATOM   129  C  CG2 . ILE A 1 28  ? -30.968 -11.689 18.370  1.00 13.13  ? 16  ILE A CG2 1 
ATOM   130  C  CD1 . ILE A 1 28  ? -28.836 -12.023 20.649  1.00 11.04  ? 16  ILE A CD1 1 
ATOM   131  N  N   . SER A 1 29  ? -33.384 -9.302  19.455  1.00 10.36  ? 17  SER A N   1 
ATOM   132  C  CA  . SER A 1 29  ? -34.796 -9.200  19.074  1.00 14.03  ? 17  SER A CA  1 
ATOM   133  C  C   . SER A 1 29  ? -35.169 -7.935  18.312  1.00 8.41   ? 17  SER A C   1 
ATOM   134  O  O   . SER A 1 29  ? -35.817 -8.013  17.273  1.00 13.83  ? 17  SER A O   1 
ATOM   135  C  CB  . SER A 1 29  ? -35.681 -9.344  20.332  1.00 13.97  ? 17  SER A CB  1 
ATOM   136  O  OG  . SER A 1 29  ? -37.018 -9.480  19.938  1.00 23.02  ? 17  SER A OG  1 
ATOM   137  N  N   . SER A 1 30  ? -34.764 -6.739  18.776  1.00 14.49  ? 18  SER A N   1 
ATOM   138  C  CA  . SER A 1 30  ? -35.218 -5.527  18.118  1.00 12.47  ? 18  SER A CA  1 
ATOM   139  C  C   . SER A 1 30  ? -34.414 -5.321  16.817  1.00 10.91  ? 18  SER A C   1 
ATOM   140  O  O   . SER A 1 30  ? -34.926 -4.782  15.863  1.00 12.75  ? 18  SER A O   1 
ATOM   141  C  CB  . SER A 1 30  ? -35.101 -4.310  19.035  1.00 13.36  ? 18  SER A CB  1 
ATOM   142  O  OG  . SER A 1 30  ? -33.758 -3.923  19.281  1.00 18.06  ? 18  SER A OG  1 
ATOM   143  N  N   . TYR A 1 31  ? -33.171 -5.803  16.781  1.00 11.58  ? 19  TYR A N   1 
ATOM   144  C  CA  . TYR A 1 31  ? -32.413 -5.740  15.541  1.00 11.95  ? 19  TYR A CA  1 
ATOM   145  C  C   . TYR A 1 31  ? -33.022 -6.640  14.484  1.00 12.94  ? 19  TYR A C   1 
ATOM   146  O  O   . TYR A 1 31  ? -33.159 -6.242  13.339  1.00 14.74  ? 19  TYR A O   1 
ATOM   147  C  CB  . TYR A 1 31  ? -30.908 -6.136  15.734  1.00 11.86  ? 19  TYR A CB  1 
ATOM   148  C  CG  . TYR A 1 31  ? -30.194 -6.113  14.395  1.00 10.42  ? 19  TYR A CG  1 
ATOM   149  C  CD1 . TYR A 1 31  ? -29.689 -4.931  13.886  1.00 13.02  ? 19  TYR A CD1 1 
ATOM   150  C  CD2 . TYR A 1 31  ? -30.096 -7.271  13.618  1.00 11.61  ? 19  TYR A CD2 1 
ATOM   151  C  CE1 . TYR A 1 31  ? -29.065 -4.902  12.625  1.00 17.69  ? 19  TYR A CE1 1 
ATOM   152  C  CE2 . TYR A 1 31  ? -29.487 -7.256  12.377  1.00 12.70  ? 19  TYR A CE2 1 
ATOM   153  C  CZ  . TYR A 1 31  ? -28.963 -6.098  11.893  1.00 14.85  ? 19  TYR A CZ  1 
ATOM   154  O  OH  . TYR A 1 31  ? -28.395 -6.120  10.648  1.00 14.29  ? 19  TYR A OH  1 
ATOM   155  N  N   . LEU A 1 32  ? -33.308 -7.875  14.829  1.00 14.18  ? 20  LEU A N   1 
ATOM   156  C  CA  . LEU A 1 32  ? -33.743 -8.784  13.786  1.00 10.22  ? 20  LEU A CA  1 
ATOM   157  C  C   . LEU A 1 32  ? -35.170 -8.399  13.364  1.00 15.96  ? 20  LEU A C   1 
ATOM   158  O  O   . LEU A 1 32  ? -35.531 -8.567  12.189  1.00 13.59  ? 20  LEU A O   1 
ATOM   159  C  CB  . LEU A 1 32  ? -33.665 -10.230 14.239  1.00 14.51  ? 20  LEU A CB  1 
ATOM   160  C  CG  . LEU A 1 32  ? -32.283 -10.887 14.291  1.00 11.66  ? 20  LEU A CG  1 
ATOM   161  C  CD1 . LEU A 1 32  ? -32.441 -12.351 14.828  1.00 13.80  ? 20  LEU A CD1 1 
ATOM   162  C  CD2 . LEU A 1 32  ? -31.558 -10.802 12.871  1.00 13.86  ? 20  LEU A CD2 1 
ATOM   163  N  N   . ARG A 1 33  ? -35.964 -7.846  14.292  1.00 13.98  ? 21  ARG A N   1 
ATOM   164  C  CA  . ARG A 1 33  ? -37.309 -7.450  13.875  1.00 13.89  ? 21  ARG A CA  1 
ATOM   165  C  C   . ARG A 1 33  ? -37.235 -6.322  12.851  1.00 17.04  ? 21  ARG A C   1 
ATOM   166  O  O   . ARG A 1 33  ? -37.906 -6.349  11.824  1.00 16.94  ? 21  ARG A O   1 
ATOM   167  C  CB  . ARG A 1 33  ? -38.199 -7.014  15.063  1.00 14.91  ? 21  ARG A CB  1 
ATOM   168  C  CG  . ARG A 1 33  ? -39.676 -7.029  14.571  1.00 19.26  ? 21  ARG A CG  1 
ATOM   169  C  CD  . ARG A 1 33  ? -40.734 -7.141  15.607  1.00 19.59  ? 21  ARG A CD  1 
ATOM   170  N  NE  . ARG A 1 33  ? -40.683 -8.317  16.488  1.00 17.87  ? 21  ARG A NE  1 
ATOM   171  C  CZ  . ARG A 1 33  ? -41.390 -9.434  16.315  1.00 14.28  ? 21  ARG A CZ  1 
ATOM   172  N  NH1 . ARG A 1 33  ? -42.166 -9.598  15.231  1.00 19.23  ? 21  ARG A NH1 1 
ATOM   173  N  NH2 . ARG A 1 33  ? -41.309 -10.401 17.221  1.00 16.02  ? 21  ARG A NH2 1 
ATOM   174  N  N   . GLU A 1 34  ? -36.397 -5.338  13.142  1.00 12.10  ? 22  GLU A N   1 
ATOM   175  C  CA  . GLU A 1 34  ? -36.147 -4.256  12.196  1.00 17.24  ? 22  GLU A CA  1 
ATOM   176  C  C   . GLU A 1 34  ? -35.564 -4.771  10.886  1.00 18.50  ? 22  GLU A C   1 
ATOM   177  O  O   . GLU A 1 34  ? -35.997 -4.364  9.837   1.00 16.36  ? 22  GLU A O   1 
ATOM   178  C  CB  . GLU A 1 34  ? -35.198 -3.228  12.792  1.00 15.36  ? 22  GLU A CB  1 
ATOM   179  C  CG  . GLU A 1 34  ? -34.928 -2.011  11.854  1.00 24.21  ? 22  GLU A CG  1 
ATOM   180  C  CD  . GLU A 1 34  ? -34.018 -0.959  12.495  1.00 35.19  ? 22  GLU A CD  1 
ATOM   181  O  OE1 . GLU A 1 34  ? -34.393 -0.409  13.558  1.00 30.98  ? 22  GLU A OE1 1 
ATOM   182  O  OE2 . GLU A 1 34  ? -32.918 -0.700  11.957  1.00 39.39  ? 22  GLU A OE2 1 
ATOM   183  N  N   . TRP A 1 35  ? -34.524 -5.600  10.948  1.00 14.36  ? 23  TRP A N   1 
ATOM   184  C  CA  . TRP A 1 35  ? -33.962 -6.180  9.714   1.00 16.23  ? 23  TRP A CA  1 
ATOM   185  C  C   . TRP A 1 35  ? -35.042 -6.938  8.930   1.00 17.87  ? 23  TRP A C   1 
ATOM   186  O  O   . TRP A 1 35  ? -35.187 -6.742  7.728   1.00 17.06  ? 23  TRP A O   1 
ATOM   187  C  CB  . TRP A 1 35  ? -32.782 -7.100  10.066  1.00 16.36  ? 23  TRP A CB  1 
ATOM   188  C  CG  . TRP A 1 35  ? -31.923 -7.540  8.898   1.00 14.72  ? 23  TRP A CG  1 
ATOM   189  C  CD1 . TRP A 1 35  ? -30.770 -6.949  8.449   1.00 19.13  ? 23  TRP A CD1 1 
ATOM   190  C  CD2 . TRP A 1 35  ? -32.141 -8.680  8.069   1.00 11.78  ? 23  TRP A CD2 1 
ATOM   191  N  NE1 . TRP A 1 35  ? -30.272 -7.653  7.364   1.00 14.47  ? 23  TRP A NE1 1 
ATOM   192  C  CE2 . TRP A 1 35  ? -31.098 -8.710  7.106   1.00 14.69  ? 23  TRP A CE2 1 
ATOM   193  C  CE3 . TRP A 1 35  ? -33.135 -9.667  8.013   1.00 17.09  ? 23  TRP A CE3 1 
ATOM   194  C  CZ2 . TRP A 1 35  ? -31.014 -9.705  6.132   1.00 10.86  ? 23  TRP A CZ2 1 
ATOM   195  C  CZ3 . TRP A 1 35  ? -33.052 -10.641 7.040   1.00 16.23  ? 23  TRP A CZ3 1 
ATOM   196  C  CH2 . TRP A 1 35  ? -32.006 -10.652 6.106   1.00 15.91  ? 23  TRP A CH2 1 
ATOM   197  N  N   . ALA A 1 36  ? -35.806 -7.788  9.610   1.00 16.07  ? 24  ALA A N   1 
ATOM   198  C  CA  . ALA A 1 36  ? -36.857 -8.544  8.954   1.00 18.95  ? 24  ALA A CA  1 
ATOM   199  C  C   . ALA A 1 36  ? -37.848 -7.627  8.259   1.00 17.69  ? 24  ALA A C   1 
ATOM   200  O  O   . ALA A 1 36  ? -38.256 -7.902  7.142   1.00 17.96  ? 24  ALA A O   1 
ATOM   201  C  CB  . ALA A 1 36  ? -37.593 -9.429  9.956   1.00 18.00  ? 24  ALA A CB  1 
ATOM   202  N  N   . ASN A 1 37  ? -38.261 -6.567  8.937   1.00 17.45  ? 25  ASN A N   1 
ATOM   203  C  CA  . ASN A 1 37  ? -39.277 -5.665  8.386   1.00 16.22  ? 25  ASN A CA  1 
ATOM   204  C  C   . ASN A 1 37  ? -38.734 -4.804  7.242   1.00 21.10  ? 25  ASN A C   1 
ATOM   205  O  O   . ASN A 1 37  ? -39.502 -4.347  6.414   1.00 29.13  ? 25  ASN A O   1 
ATOM   206  C  CB  . ASN A 1 37  ? -39.872 -4.756  9.497   1.00 18.95  ? 25  ASN A CB  1 
ATOM   207  C  CG  . ASN A 1 37  ? -40.976 -5.463  10.341  1.00 24.95  ? 25  ASN A CG  1 
ATOM   208  O  OD1 . ASN A 1 37  ? -42.168 -5.321  10.054  1.00 31.30  ? 25  ASN A OD1 1 
ATOM   209  N  ND2 . ASN A 1 37  ? -40.579 -6.212  11.369  1.00 19.08  ? 25  ASN A ND2 1 
ATOM   210  N  N   . ASN A 1 38  ? -37.426 -4.565  7.194   1.00 23.06  ? 26  ASN A N   1 
ATOM   211  C  CA  . ASN A 1 38  ? -36.845 -3.746  6.125   1.00 16.24  ? 26  ASN A CA  1 
ATOM   212  C  C   . ASN A 1 38  ? -36.250 -4.532  4.992   1.00 24.02  ? 26  ASN A C   1 
ATOM   213  O  O   . ASN A 1 38  ? -35.591 -3.947  4.160   1.00 24.94  ? 26  ASN A O   1 
ATOM   214  C  CB  . ASN A 1 38  ? -35.740 -2.831  6.665   1.00 21.48  ? 26  ASN A CB  1 
ATOM   215  C  CG  . ASN A 1 38  ? -36.283 -1.693  7.495   1.00 37.88  ? 26  ASN A CG  1 
ATOM   216  O  OD1 . ASN A 1 38  ? -37.463 -1.380  7.423   1.00 38.79  ? 26  ASN A OD1 1 
ATOM   217  N  ND2 . ASN A 1 38  ? -35.415 -1.058  8.284   1.00 40.37  ? 26  ASN A ND2 1 
ATOM   218  N  N   . PHE A 1 39  ? -36.445 -5.847  4.980   1.00 25.37  ? 27  PHE A N   1 
ATOM   219  C  CA  . PHE A 1 39  ? -35.864 -6.693  3.957   1.00 26.16  ? 27  PHE A CA  1 
ATOM   220  C  C   . PHE A 1 39  ? -36.543 -6.457  2.614   1.00 35.78  ? 27  PHE A C   1 
ATOM   221  O  O   . PHE A 1 39  ? -35.880 -6.127  1.644   1.00 36.07  ? 27  PHE A O   1 
ATOM   222  C  CB  . PHE A 1 39  ? -35.981 -8.164  4.309   1.00 20.95  ? 27  PHE A CB  1 
ATOM   223  C  CG  . PHE A 1 39  ? -35.182 -9.078  3.398   1.00 30.73  ? 27  PHE A CG  1 
ATOM   224  C  CD1 . PHE A 1 39  ? -33.828 -9.296  3.626   1.00 27.96  ? 27  PHE A CD1 1 
ATOM   225  C  CD2 . PHE A 1 39  ? -35.772 -9.693  2.310   1.00 22.05  ? 27  PHE A CD2 1 
ATOM   226  C  CE1 . PHE A 1 39  ? -33.073 -10.108 2.782   1.00 17.63  ? 27  PHE A CE1 1 
ATOM   227  C  CE2 . PHE A 1 39  ? -35.036 -10.531 1.463   1.00 29.57  ? 27  PHE A CE2 1 
ATOM   228  C  CZ  . PHE A 1 39  ? -33.674 -10.743 1.703   1.00 25.07  ? 27  PHE A CZ  1 
ATOM   229  N  N   . GLY A 1 40  ? -37.858 -6.678  2.574   1.00 36.09  ? 28  GLY A N   1 
ATOM   230  C  CA  . GLY A 1 40  ? -38.627 -6.583  1.349   1.00 42.14  ? 28  GLY A CA  1 
ATOM   231  C  C   . GLY A 1 40  ? -39.400 -5.294  1.292   1.00 45.60  ? 28  GLY A C   1 
ATOM   232  O  O   . GLY A 1 40  ? -38.807 -4.222  1.405   1.00 60.79  ? 28  GLY A O   1 
ATOM   233  N  N   . GLY A 1 57  ? -38.435 -21.881 -2.101  1.00 65.36  ? 45  GLY A N   1 
ATOM   234  C  CA  . GLY A 1 57  ? -38.496 -21.316 -3.438  1.00 71.44  ? 45  GLY A CA  1 
ATOM   235  C  C   . GLY A 1 57  ? -38.421 -19.797 -3.432  1.00 79.38  ? 45  GLY A C   1 
ATOM   236  O  O   . GLY A 1 57  ? -39.150 -19.131 -2.685  1.00 82.14  ? 45  GLY A O   1 
ATOM   237  N  N   . SER A 1 58  ? -37.546 -19.256 -4.281  1.00 64.62  ? 46  SER A N   1 
ATOM   238  C  CA  . SER A 1 58  ? -37.228 -17.820 -4.316  1.00 73.95  ? 46  SER A CA  1 
ATOM   239  C  C   . SER A 1 58  ? -38.416 -16.921 -4.723  1.00 76.84  ? 46  SER A C   1 
ATOM   240  O  O   . SER A 1 58  ? -39.465 -17.458 -5.087  1.00 86.79  ? 46  SER A O   1 
ATOM   241  C  CB  . SER A 1 58  ? -36.042 -17.596 -5.266  1.00 71.70  ? 46  SER A CB  1 
ATOM   242  O  OG  . SER A 1 58  ? -35.661 -16.239 -5.322  1.00 69.88  ? 46  SER A OG  1 
ATOM   243  N  N   . SER A 1 59  ? -38.210 -15.587 -4.647  1.00 69.97  ? 47  SER A N   1 
ATOM   244  C  CA  . SER A 1 59  ? -39.150 -14.467 -4.980  1.00 76.22  ? 47  SER A CA  1 
ATOM   245  C  C   . SER A 1 59  ? -39.156 -13.355 -3.895  1.00 80.29  ? 47  SER A C   1 
ATOM   246  O  O   . SER A 1 59  ? -39.702 -13.587 -2.810  1.00 82.95  ? 47  SER A O   1 
ATOM   247  C  CB  . SER A 1 59  ? -40.604 -14.954 -5.176  1.00 80.64  ? 47  SER A CB  1 
ATOM   248  O  OG  . SER A 1 59  ? -41.566 -13.919 -4.984  1.00 70.78  ? 47  SER A OG  1 
ATOM   249  N  N   . THR A 1 60  ? -38.575 -12.165 -4.135  1.00 77.10  ? 48  THR A N   1 
ATOM   250  C  CA  . THR A 1 60  ? -37.788 -11.781 -5.321  1.00 74.53  ? 48  THR A CA  1 
ATOM   251  C  C   . THR A 1 60  ? -36.315 -11.454 -4.945  1.00 65.50  ? 48  THR A C   1 
ATOM   252  O  O   . THR A 1 60  ? -35.906 -10.280 -4.838  1.00 49.96  ? 48  THR A O   1 
ATOM   253  C  CB  . THR A 1 60  ? -38.400 -10.552 -6.042  1.00 72.62  ? 48  THR A CB  1 
ATOM   254  O  OG1 . THR A 1 60  ? -37.392 -9.892  -6.826  1.00 65.09  ? 48  THR A OG1 1 
ATOM   255  C  CG2 . THR A 1 60  ? -38.980 -9.552  -5.037  1.00 67.99  ? 48  THR A CG2 1 
ATOM   256  N  N   . LEU A 1 61  ? -35.506 -12.490 -4.765  1.00 48.39  ? 49  LEU A N   1 
ATOM   257  C  CA  . LEU A 1 61  ? -34.296 -12.306 -3.989  1.00 33.74  ? 49  LEU A CA  1 
ATOM   258  C  C   . LEU A 1 61  ? -32.991 -12.580 -4.734  1.00 38.34  ? 49  LEU A C   1 
ATOM   259  O  O   . LEU A 1 61  ? -32.958 -13.203 -5.800  1.00 26.86  ? 49  LEU A O   1 
ATOM   260  C  CB  . LEU A 1 61  ? -34.382 -13.172 -2.717  1.00 40.75  ? 49  LEU A CB  1 
ATOM   261  C  CG  . LEU A 1 61  ? -34.180 -14.682 -2.809  1.00 39.71  ? 49  LEU A CG  1 
ATOM   262  C  CD1 . LEU A 1 61  ? -32.907 -15.080 -2.083  1.00 50.60  ? 49  LEU A CD1 1 
ATOM   263  C  CD2 . LEU A 1 61  ? -35.359 -15.476 -2.277  1.00 48.04  ? 49  LEU A CD2 1 
ATOM   264  N  N   . PHE A 1 62  ? -31.916 -12.063 -4.161  1.00 21.51  ? 50  PHE A N   1 
ATOM   265  C  CA  . PHE A 1 62  ? -30.555 -12.390 -4.571  1.00 19.58  ? 50  PHE A CA  1 
ATOM   266  C  C   . PHE A 1 62  ? -29.996 -13.451 -3.637  1.00 31.26  ? 50  PHE A C   1 
ATOM   267  O  O   . PHE A 1 62  ? -30.000 -13.274 -2.411  1.00 25.73  ? 50  PHE A O   1 
ATOM   268  C  CB  . PHE A 1 62  ? -29.673 -11.156 -4.539  1.00 22.07  ? 50  PHE A CB  1 
ATOM   269  C  CG  . PHE A 1 62  ? -28.251 -11.441 -4.911  1.00 28.36  ? 50  PHE A CG  1 
ATOM   270  C  CD1 . PHE A 1 62  ? -27.934 -11.893 -6.195  1.00 37.36  ? 50  PHE A CD1 1 
ATOM   271  C  CD2 . PHE A 1 62  ? -27.225 -11.262 -3.989  1.00 37.23  ? 50  PHE A CD2 1 
ATOM   272  C  CE1 . PHE A 1 62  ? -26.620 -12.165 -6.557  1.00 31.90  ? 50  PHE A CE1 1 
ATOM   273  C  CE2 . PHE A 1 62  ? -25.897 -11.534 -4.345  1.00 37.52  ? 50  PHE A CE2 1 
ATOM   274  C  CZ  . PHE A 1 62  ? -25.600 -11.987 -5.634  1.00 27.26  ? 50  PHE A CZ  1 
ATOM   275  N  N   . SER A 1 63  ? -29.566 -14.572 -4.194  1.00 20.35  ? 51  SER A N   1 
ATOM   276  C  CA  . SER A 1 63  ? -29.023 -15.649 -3.373  1.00 18.68  ? 51  SER A CA  1 
ATOM   277  C  C   . SER A 1 63  ? -27.700 -16.170 -3.962  1.00 25.70  ? 51  SER A C   1 
ATOM   278  O  O   . SER A 1 63  ? -27.545 -16.177 -5.170  1.00 23.06  ? 51  SER A O   1 
ATOM   279  C  CB  . SER A 1 63  ? -30.033 -16.780 -3.275  1.00 22.65  ? 51  SER A CB  1 
ATOM   280  O  OG  . SER A 1 63  ? -29.376 -17.989 -2.975  1.00 39.56  ? 51  SER A OG  1 
ATOM   281  N  N   . GLY A 1 64  ? -26.767 -16.643 -3.142  1.00 15.73  ? 52  GLY A N   1 
ATOM   282  C  CA  . GLY A 1 64  ? -25.462 -17.049 -3.671  1.00 15.70  ? 52  GLY A CA  1 
ATOM   283  C  C   . GLY A 1 64  ? -24.921 -18.211 -2.874  1.00 17.58  ? 52  GLY A C   1 
ATOM   284  O  O   . GLY A 1 64  ? -25.135 -18.255 -1.669  1.00 15.76  ? 52  GLY A O   1 
ATOM   285  N  N   . THR A 1 65  ? -24.233 -19.154 -3.512  1.00 8.15   ? 53  THR A N   1 
ATOM   286  C  CA  . THR A 1 65  ? -23.676 -20.259 -2.737  1.00 13.25  ? 53  THR A CA  1 
ATOM   287  C  C   . THR A 1 65  ? -22.240 -20.468 -3.117  1.00 15.02  ? 53  THR A C   1 
ATOM   288  O  O   . THR A 1 65  ? -21.891 -20.319 -4.294  1.00 15.43  ? 53  THR A O   1 
ATOM   289  C  CB  . THR A 1 65  ? -24.410 -21.573 -2.972  1.00 15.77  ? 53  THR A CB  1 
ATOM   290  O  OG1 . THR A 1 65  ? -25.788 -21.294 -3.224  1.00 31.61  ? 53  THR A OG1 1 
ATOM   291  C  CG2 . THR A 1 65  ? -24.311 -22.469 -1.711  1.00 24.05  ? 53  THR A CG2 1 
ATOM   292  N  N   . GLN A 1 66  ? -21.432 -20.796 -2.116  1.00 9.12   ? 54  GLN A N   1 
ATOM   293  C  CA  . GLN A 1 66  ? -20.057 -21.246 -2.334  1.00 9.01   ? 54  GLN A CA  1 
ATOM   294  C  C   . GLN A 1 66  ? -19.872 -22.565 -1.613  1.00 11.12  ? 54  GLN A C   1 
ATOM   295  O  O   . GLN A 1 66  ? -20.028 -22.631 -0.392  1.00 9.05   ? 54  GLN A O   1 
ATOM   296  C  CB  . GLN A 1 66  ? -19.039 -20.239 -1.829  1.00 9.29   ? 54  GLN A CB  1 
ATOM   297  C  CG  . GLN A 1 66  ? -17.566 -20.641 -2.194  1.00 7.54   ? 54  GLN A CG  1 
ATOM   298  C  CD  . GLN A 1 66  ? -16.514 -19.875 -1.437  1.00 12.53  ? 54  GLN A CD  1 
ATOM   299  O  OE1 . GLN A 1 66  ? -16.487 -19.922 -0.202  1.00 9.76   ? 54  GLN A OE1 1 
ATOM   300  N  NE2 . GLN A 1 66  ? -15.625 -19.173 -2.154  1.00 6.53   ? 54  GLN A NE2 1 
ATOM   301  N  N   . TYR A 1 67  ? -19.526 -23.604 -2.365  1.00 9.69   ? 55  TYR A N   1 
ATOM   302  C  CA  . TYR A 1 67  ? -19.108 -24.884 -1.804  1.00 12.95  ? 55  TYR A CA  1 
ATOM   303  C  C   . TYR A 1 67  ? -17.622 -25.071 -1.973  1.00 14.37  ? 55  TYR A C   1 
ATOM   304  O  O   . TYR A 1 67  ? -17.112 -24.947 -3.078  1.00 14.62  ? 55  TYR A O   1 
ATOM   305  C  CB  . TYR A 1 67  ? -19.838 -26.033 -2.516  1.00 10.23  ? 55  TYR A CB  1 
ATOM   306  C  CG  . TYR A 1 67  ? -21.336 -25.962 -2.453  1.00 11.77  ? 55  TYR A CG  1 
ATOM   307  C  CD1 . TYR A 1 67  ? -22.033 -26.520 -1.370  1.00 23.01  ? 55  TYR A CD1 1 
ATOM   308  C  CD2 . TYR A 1 67  ? -22.064 -25.343 -3.437  1.00 14.05  ? 55  TYR A CD2 1 
ATOM   309  C  CE1 . TYR A 1 67  ? -23.427 -26.463 -1.301  1.00 17.58  ? 55  TYR A CE1 1 
ATOM   310  C  CE2 . TYR A 1 67  ? -23.471 -25.298 -3.384  1.00 18.00  ? 55  TYR A CE2 1 
ATOM   311  C  CZ  . TYR A 1 67  ? -24.129 -25.846 -2.310  1.00 24.43  ? 55  TYR A CZ  1 
ATOM   312  O  OH  . TYR A 1 67  ? -25.498 -25.773 -2.223  1.00 29.78  ? 55  TYR A OH  1 
ATOM   313  N  N   . ALA A 1 68  ? -16.927 -25.402 -0.899  1.00 14.03  ? 56  ALA A N   1 
ATOM   314  C  CA  . ALA A 1 68  ? -15.501 -25.688 -0.966  1.00 10.39  ? 56  ALA A CA  1 
ATOM   315  C  C   . ALA A 1 68  ? -15.215 -27.104 -0.468  1.00 17.05  ? 56  ALA A C   1 
ATOM   316  O  O   . ALA A 1 68  ? -15.721 -27.501 0.577   1.00 23.03  ? 56  ALA A O   1 
ATOM   317  C  CB  . ALA A 1 68  ? -14.769 -24.717 -0.166  1.00 10.75  ? 56  ALA A CB  1 
ATOM   318  N  N   . ILE A 1 69  ? -14.410 -27.865 -1.200  1.00 15.08  ? 57  ILE A N   1 
ATOM   319  C  CA  . ILE A 1 69  ? -14.079 -29.225 -0.776  1.00 14.00  ? 57  ILE A CA  1 
ATOM   320  C  C   . ILE A 1 69  ? -12.566 -29.337 -0.867  1.00 17.82  ? 57  ILE A C   1 
ATOM   321  O  O   . ILE A 1 69  ? -12.003 -29.038 -1.912  1.00 15.08  ? 57  ILE A O   1 
ATOM   322  C  CB  . ILE A 1 69  ? -14.751 -30.300 -1.682  1.00 18.90  ? 57  ILE A CB  1 
ATOM   323  C  CG1 . ILE A 1 69  ? -16.069 -30.779 -1.097  1.00 35.17  ? 57  ILE A CG1 1 
ATOM   324  C  CG2 . ILE A 1 69  ? -13.924 -31.557 -1.678  1.00 29.34  ? 57  ILE A CG2 1 
ATOM   325  C  CD1 . ILE A 1 69  ? -17.104 -29.774 -1.051  1.00 41.09  ? 57  ILE A CD1 1 
ATOM   326  N  N   . GLY A 1 70  ? -11.898 -29.794 0.190   1.00 15.75  ? 58  GLY A N   1 
ATOM   327  C  CA  . GLY A 1 70  ? -10.453 -29.904 0.181   1.00 15.81  ? 58  GLY A CA  1 
ATOM   328  C  C   . GLY A 1 70  ? -9.980  -31.176 0.867   1.00 22.88  ? 58  GLY A C   1 
ATOM   329  O  O   . GLY A 1 70  ? -10.740 -31.804 1.600   1.00 20.46  ? 58  GLY A O   1 
ATOM   330  N  N   . SER A 1 71  ? -8.745  -31.594 0.606   1.00 22.03  ? 59  SER A N   1 
ATOM   331  C  CA  . SER A 1 71  ? -8.273  -32.845 1.212   1.00 32.11  ? 59  SER A CA  1 
ATOM   332  C  C   . SER A 1 71  ? -7.578  -32.554 2.549   1.00 36.03  ? 59  SER A C   1 
ATOM   333  O  O   . SER A 1 71  ? -7.452  -31.388 2.944   1.00 28.36  ? 59  SER A O   1 
ATOM   334  C  CB  . SER A 1 71  ? -7.331  -33.601 0.263   1.00 29.00  ? 59  SER A CB  1 
ATOM   335  O  OG  . SER A 1 71  ? -6.042  -33.022 0.237   1.00 41.11  ? 59  SER A OG  1 
ATOM   336  N  N   . SER A 1 72  ? -7.116  -33.605 3.229   1.00 44.06  ? 60  SER A N   1 
ATOM   337  C  CA  . SER A 1 72  ? -6.479  -33.455 4.544   1.00 51.10  ? 60  SER A CA  1 
ATOM   338  C  C   . SER A 1 72  ? -4.956  -33.642 4.514   1.00 48.52  ? 60  SER A C   1 
ATOM   339  O  O   . SER A 1 72  ? -4.309  -33.653 5.552   1.00 53.36  ? 60  SER A O   1 
ATOM   340  C  CB  . SER A 1 72  ? -7.090  -34.447 5.534   1.00 54.00  ? 60  SER A CB  1 
ATOM   341  O  OG  . SER A 1 72  ? -6.821  -35.772 5.114   1.00 53.07  ? 60  SER A OG  1 
ATOM   342  N  N   . HIS A 1 73  ? -4.390  -33.779 3.321   1.00 53.36  ? 61  HIS A N   1 
ATOM   343  C  CA  . HIS A 1 73  ? -2.959  -34.023 3.172   1.00 47.06  ? 61  HIS A CA  1 
ATOM   344  C  C   . HIS A 1 73  ? -2.208  -32.699 3.060   1.00 47.92  ? 61  HIS A C   1 
ATOM   345  O  O   . HIS A 1 73  ? -2.831  -31.646 2.975   1.00 47.47  ? 61  HIS A O   1 
ATOM   346  C  CB  . HIS A 1 73  ? -2.720  -34.924 1.964   1.00 50.92  ? 61  HIS A CB  1 
ATOM   347  C  CG  . HIS A 1 73  ? -3.437  -36.237 2.065   1.00 68.59  ? 61  HIS A CG  1 
ATOM   348  N  ND1 . HIS A 1 73  ? -3.506  -37.141 1.025   1.00 71.95  ? 61  HIS A ND1 1 
ATOM   349  C  CD2 . HIS A 1 73  ? -4.126  -36.792 3.092   1.00 62.85  ? 61  HIS A CD2 1 
ATOM   350  C  CE1 . HIS A 1 73  ? -4.204  -38.197 1.410   1.00 67.35  ? 61  HIS A CE1 1 
ATOM   351  N  NE2 . HIS A 1 73  ? -4.596  -38.008 2.657   1.00 63.95  ? 61  HIS A NE2 1 
ATOM   352  N  N   . SER A 1 74  ? -0.881  -32.715 3.094   1.00 39.98  ? 62  SER A N   1 
ATOM   353  C  CA  . SER A 1 74  ? -0.189  -31.426 3.073   1.00 48.21  ? 62  SER A CA  1 
ATOM   354  C  C   . SER A 1 74  ? -0.299  -30.893 1.664   1.00 45.44  ? 62  SER A C   1 
ATOM   355  O  O   . SER A 1 74  ? -0.468  -31.676 0.728   1.00 40.45  ? 62  SER A O   1 
ATOM   356  C  CB  . SER A 1 74  ? 1.269   -31.544 3.498   1.00 51.28  ? 62  SER A CB  1 
ATOM   357  O  OG  . SER A 1 74  ? 1.995   -32.331 2.575   1.00 56.01  ? 62  SER A OG  1 
ATOM   358  N  N   . ASN A 1 75  ? -0.211  -29.572 1.514   1.00 40.93  ? 63  ASN A N   1 
ATOM   359  C  CA  . ASN A 1 75  ? -0.481  -28.931 0.230   1.00 34.64  ? 63  ASN A CA  1 
ATOM   360  C  C   . ASN A 1 75  ? -1.778  -29.493 -0.376  1.00 34.29  ? 63  ASN A C   1 
ATOM   361  O  O   . ASN A 1 75  ? -1.790  -30.022 -1.480  1.00 30.93  ? 63  ASN A O   1 
ATOM   362  C  CB  . ASN A 1 75  ? 0.710   -29.134 -0.709  1.00 35.25  ? 63  ASN A CB  1 
ATOM   363  C  CG  . ASN A 1 75  ? 0.710   -28.167 -1.858  1.00 51.28  ? 63  ASN A CG  1 
ATOM   364  O  OD1 . ASN A 1 75  ? 1.140   -28.505 -2.960  1.00 57.51  ? 63  ASN A OD1 1 
ATOM   365  N  ND2 . ASN A 1 75  ? 0.235   -26.945 -1.612  1.00 51.50  ? 63  ASN A ND2 1 
ATOM   366  N  N   . PRO A 1 76  ? -2.878  -29.402 0.370   1.00 32.96  ? 64  PRO A N   1 
ATOM   367  C  CA  . PRO A 1 76  ? -4.043  -30.201 -0.020  1.00 22.72  ? 64  PRO A CA  1 
ATOM   368  C  C   . PRO A 1 76  ? -4.674  -29.677 -1.305  1.00 25.32  ? 64  PRO A C   1 
ATOM   369  O  O   . PRO A 1 76  ? -4.763  -28.462 -1.509  1.00 19.70  ? 64  PRO A O   1 
ATOM   370  C  CB  . PRO A 1 76  ? -5.002  -30.040 1.168   1.00 24.83  ? 64  PRO A CB  1 
ATOM   371  C  CG  . PRO A 1 76  ? -4.615  -28.690 1.749   1.00 19.91  ? 64  PRO A CG  1 
ATOM   372  C  CD  . PRO A 1 76  ? -3.143  -28.532 1.535   1.00 27.50  ? 64  PRO A CD  1 
ATOM   373  N  N   . GLU A 1 77  ? -5.096  -30.590 -2.172  1.00 16.91  ? 65  GLU A N   1 
ATOM   374  C  CA  . GLU A 1 77  ? -5.896  -30.198 -3.328  1.00 13.41  ? 65  GLU A CA  1 
ATOM   375  C  C   . GLU A 1 77  ? -7.244  -29.704 -2.854  1.00 14.95  ? 65  GLU A C   1 
ATOM   376  O  O   . GLU A 1 77  ? -7.783  -30.225 -1.871  1.00 16.81  ? 65  GLU A O   1 
ATOM   377  C  CB  . GLU A 1 77  ? -6.101  -31.346 -4.279  1.00 14.44  ? 65  GLU A CB  1 
ATOM   378  C  CG  . GLU A 1 77  ? -4.860  -31.694 -5.030  1.00 18.66  ? 65  GLU A CG  1 
ATOM   379  C  CD  . GLU A 1 77  ? -5.147  -32.752 -6.061  1.00 19.77  ? 65  GLU A CD  1 
ATOM   380  O  OE1 . GLU A 1 77  ? -6.229  -33.389 -5.986  1.00 19.11  ? 65  GLU A OE1 1 
ATOM   381  O  OE2 . GLU A 1 77  ? -4.291  -32.962 -6.926  1.00 23.92  ? 65  GLU A OE2 1 
ATOM   382  N  N   . GLY A 1 78  ? -7.797  -28.748 -3.587  1.00 15.81  ? 66  GLY A N   1 
ATOM   383  C  CA  . GLY A 1 78  ? -9.121  -28.251 -3.286  1.00 11.85  ? 66  GLY A CA  1 
ATOM   384  C  C   . GLY A 1 78  ? -9.923  -27.822 -4.493  1.00 13.61  ? 66  GLY A C   1 
ATOM   385  O  O   . GLY A 1 78  ? -9.395  -27.617 -5.587  1.00 14.76  ? 66  GLY A O   1 
ATOM   386  N  N   . MET A 1 79  ? -11.238 -27.731 -4.334  1.00 10.18  ? 67  MET A N   1 
ATOM   387  C  CA  . MET A 1 79  ? -12.034 -27.214 -5.432  1.00 11.31  ? 67  MET A CA  1 
ATOM   388  C  C   . MET A 1 79  ? -13.133 -26.357 -4.833  1.00 11.71  ? 67  MET A C   1 
ATOM   389  O  O   . MET A 1 79  ? -13.544 -26.571 -3.697  1.00 11.66  ? 67  MET A O   1 
ATOM   390  C  CB  . MET A 1 79  ? -12.632 -28.346 -6.238  1.00 9.32   ? 67  MET A CB  1 
ATOM   391  C  CG  . MET A 1 79  ? -13.448 -29.251 -5.387  1.00 12.82  ? 67  MET A CG  1 
ATOM   392  S  SD  . MET A 1 79  ? -14.246 -30.551 -6.372  1.00 25.28  ? 67  MET A SD  1 
ATOM   393  C  CE  . MET A 1 79  ? -15.126 -29.632 -7.581  1.00 7.64   ? 67  MET A CE  1 
ATOM   394  N  N   . ILE A 1 80  ? -13.627 -25.451 -5.650  1.00 9.13   ? 68  ILE A N   1 
ATOM   395  C  CA  . ILE A 1 80  ? -14.705 -24.537 -5.274  1.00 7.39   ? 68  ILE A CA  1 
ATOM   396  C  C   . ILE A 1 80  ? -15.766 -24.532 -6.358  1.00 15.26  ? 68  ILE A C   1 
ATOM   397  O  O   . ILE A 1 80  ? -15.449 -24.320 -7.547  1.00 9.66   ? 68  ILE A O   1 
ATOM   398  C  CB  . ILE A 1 80  ? -14.124 -23.117 -5.074  1.00 9.69   ? 68  ILE A CB  1 
ATOM   399  C  CG1 . ILE A 1 80  ? -13.160 -23.108 -3.901  1.00 12.37  ? 68  ILE A CG1 1 
ATOM   400  C  CG2 . ILE A 1 80  ? -15.240 -22.086 -4.809  1.00 16.79  ? 68  ILE A CG2 1 
ATOM   401  C  CD1 . ILE A 1 80  ? -12.640 -21.732 -3.643  1.00 8.03   ? 68  ILE A CD1 1 
ATOM   402  N  N   . ALA A 1 81  ? -17.014 -24.796 -5.960  1.00 8.99   ? 69  ALA A N   1 
ATOM   403  C  CA  . ALA A 1 81  ? -18.142 -24.563 -6.829  1.00 8.15   ? 69  ALA A CA  1 
ATOM   404  C  C   . ALA A 1 81  ? -18.958 -23.360 -6.314  1.00 13.88  ? 69  ALA A C   1 
ATOM   405  O  O   . ALA A 1 81  ? -19.315 -23.295 -5.139  1.00 12.31  ? 69  ALA A O   1 
ATOM   406  C  CB  . ALA A 1 81  ? -19.029 -25.848 -6.919  1.00 10.84  ? 69  ALA A CB  1 
ATOM   407  N  N   . GLU A 1 82  ? -19.289 -22.426 -7.187  1.00 10.84  ? 70  GLU A N   1 
ATOM   408  C  CA  . GLU A 1 82  ? -19.950 -21.204 -6.737  1.00 7.69   ? 70  GLU A CA  1 
ATOM   409  C  C   . GLU A 1 82  ? -20.970 -20.749 -7.760  1.00 11.24  ? 70  GLU A C   1 
ATOM   410  O  O   . GLU A 1 82  ? -20.848 -21.003 -8.969  1.00 12.98  ? 70  GLU A O   1 
ATOM   411  C  CB  . GLU A 1 82  ? -18.868 -20.125 -6.510  1.00 10.27  ? 70  GLU A CB  1 
ATOM   412  C  CG  . GLU A 1 82  ? -19.366 -18.779 -5.951  1.00 10.83  ? 70  GLU A CG  1 
ATOM   413  C  CD  . GLU A 1 82  ? -19.905 -17.878 -7.063  1.00 21.12  ? 70  GLU A CD  1 
ATOM   414  O  OE1 . GLU A 1 82  ? -19.578 -18.091 -8.245  1.00 17.37  ? 70  GLU A OE1 1 
ATOM   415  O  OE2 . GLU A 1 82  ? -20.652 -16.937 -6.748  1.00 21.69  ? 70  GLU A OE2 1 
ATOM   416  N  N   . GLY A 1 83  ? -21.995 -20.079 -7.282  1.00 11.26  ? 71  GLY A N   1 
ATOM   417  C  CA  . GLY A 1 83  ? -22.925 -19.458 -8.194  1.00 20.71  ? 71  GLY A CA  1 
ATOM   418  C  C   . GLY A 1 83  ? -23.764 -18.461 -7.447  1.00 25.21  ? 71  GLY A C   1 
ATOM   419  O  O   . GLY A 1 83  ? -23.723 -18.435 -6.224  1.00 22.51  ? 71  GLY A O   1 
ATOM   420  N  N   . ASP A 1 84  ? -24.473 -17.599 -8.167  1.00 17.55  ? 72  ASP A N   1 
ATOM   421  C  CA  . ASP A 1 84  ? -25.519 -16.811 -7.527  1.00 24.15  ? 72  ASP A CA  1 
ATOM   422  C  C   . ASP A 1 84  ? -26.678 -16.652 -8.494  1.00 26.47  ? 72  ASP A C   1 
ATOM   423  O  O   . ASP A 1 84  ? -26.593 -17.066 -9.643  1.00 24.61  ? 72  ASP A O   1 
ATOM   424  C  CB  . ASP A 1 84  ? -25.001 -15.453 -7.014  1.00 21.79  ? 72  ASP A CB  1 
ATOM   425  C  CG  . ASP A 1 84  ? -24.264 -14.643 -8.068  1.00 30.63  ? 72  ASP A CG  1 
ATOM   426  O  OD1 . ASP A 1 84  ? -24.811 -14.432 -9.166  1.00 32.60  ? 72  ASP A OD1 1 
ATOM   427  O  OD2 . ASP A 1 84  ? -23.138 -14.188 -7.786  1.00 28.52  ? 72  ASP A OD2 1 
ATOM   428  N  N   . LEU A 1 85  ? -27.762 -16.081 -7.998  1.00 23.12  ? 73  LEU A N   1 
ATOM   429  C  CA  . LEU A 1 85  ? -29.047 -16.091 -8.681  1.00 32.69  ? 73  LEU A CA  1 
ATOM   430  C  C   . LEU A 1 85  ? -29.994 -14.967 -8.227  1.00 38.35  ? 73  LEU A C   1 
ATOM   431  O  O   . LEU A 1 85  ? -30.010 -14.607 -7.029  1.00 24.40  ? 73  LEU A O   1 
ATOM   432  C  CB  . LEU A 1 85  ? -29.747 -17.425 -8.439  1.00 28.33  ? 73  LEU A CB  1 
ATOM   433  C  CG  . LEU A 1 85  ? -31.205 -17.530 -8.898  1.00 40.00  ? 73  LEU A CG  1 
ATOM   434  C  CD1 . LEU A 1 85  ? -31.319 -17.654 -10.423 1.00 33.12  ? 73  LEU A CD1 1 
ATOM   435  C  CD2 . LEU A 1 85  ? -31.961 -18.647 -8.163  1.00 48.31  ? 73  LEU A CD2 1 
ATOM   436  N  N   . LYS A 1 86  ? -30.779 -14.462 -9.196  1.00 38.55  ? 74  LYS A N   1 
ATOM   437  C  CA  . LYS A 1 86  ? -32.082 -13.776 -9.003  1.00 46.99  ? 74  LYS A CA  1 
ATOM   438  C  C   . LYS A 1 86  ? -33.224 -14.636 -8.402  1.00 52.04  ? 74  LYS A C   1 
ATOM   439  O  O   . LYS A 1 86  ? -33.024 -15.331 -7.402  1.00 63.15  ? 74  LYS A O   1 
ATOM   440  C  CB  . LYS A 1 86  ? -32.568 -13.209 -10.338 1.00 46.82  ? 74  LYS A CB  1 
ATOM   441  C  CG  . LYS A 1 86  ? -32.025 -11.828 -10.634 1.00 60.50  ? 74  LYS A CG  1 
ATOM   442  C  CD  . LYS A 1 86  ? -31.188 -11.311 -9.469  1.00 48.64  ? 74  LYS A CD  1 
ATOM   443  C  CE  . LYS A 1 86  ? -31.103 -9.790  -9.455  1.00 68.70  ? 74  LYS A CE  1 
ATOM   444  N  NZ  . LYS A 1 86  ? -30.276 -9.299  -8.310  1.00 56.53  ? 74  LYS A NZ  1 
ATOM   445  N  N   . ALA A 1 87  ? -34.418 -14.613 -9.002  1.00 55.73  ? 75  ALA A N   1 
ATOM   446  C  CA  . ALA A 1 87  ? -35.606 -14.911 -8.187  1.00 68.56  ? 75  ALA A CA  1 
ATOM   447  C  C   . ALA A 1 87  ? -36.812 -15.687 -8.750  1.00 80.69  ? 75  ALA A C   1 
ATOM   448  O  O   . ALA A 1 87  ? -37.565 -15.120 -9.552  1.00 79.93  ? 75  ALA A O   1 
ATOM   449  C  CB  . ALA A 1 87  ? -36.123 -13.601 -7.660  1.00 54.40  ? 75  ALA A CB  1 
ATOM   450  N  N   . SER A 1 88  ? -36.952 -16.959 -8.317  1.00 79.94  ? 76  SER A N   1 
ATOM   451  C  CA  . SER A 1 88  ? -38.237 -17.670 -8.040  1.00 73.54  ? 76  SER A CA  1 
ATOM   452  C  C   . SER A 1 88  ? -38.232 -19.213 -8.085  1.00 71.24  ? 76  SER A C   1 
ATOM   453  O  O   . SER A 1 88  ? -38.783 -19.868 -7.196  1.00 63.03  ? 76  SER A O   1 
ATOM   454  C  CB  . SER A 1 88  ? -39.364 -17.203 -8.964  1.00 73.29  ? 76  SER A CB  1 
ATOM   455  O  OG  . SER A 1 88  ? -39.893 -15.972 -8.493  1.00 67.42  ? 76  SER A OG  1 
ATOM   456  N  N   . PHE A 1 89  ? -37.632 -19.804 -9.108  1.00 84.07  ? 77  PHE A N   1 
ATOM   457  C  CA  . PHE A 1 89  ? -38.044 -21.154 -9.474  1.00 81.52  ? 77  PHE A CA  1 
ATOM   458  C  C   . PHE A 1 89  ? -36.895 -22.138 -9.756  1.00 78.89  ? 77  PHE A C   1 
ATOM   459  O  O   . PHE A 1 89  ? -35.735 -21.878 -9.415  1.00 64.28  ? 77  PHE A O   1 
ATOM   460  C  CB  . PHE A 1 89  ? -38.982 -21.043 -10.693 1.00 86.75  ? 77  PHE A CB  1 
ATOM   461  C  CG  . PHE A 1 89  ? -39.878 -22.238 -10.901 1.00 93.16  ? 77  PHE A CG  1 
ATOM   462  C  CD1 . PHE A 1 89  ? -40.509 -22.855 -9.825  1.00 88.99  ? 77  PHE A CD1 1 
ATOM   463  C  CD2 . PHE A 1 89  ? -40.085 -22.743 -12.181 1.00 81.33  ? 77  PHE A CD2 1 
ATOM   464  C  CE1 . PHE A 1 89  ? -41.329 -23.952 -10.027 1.00 92.46  ? 77  PHE A CE1 1 
ATOM   465  C  CE2 . PHE A 1 89  ? -40.902 -23.835 -12.388 1.00 80.74  ? 77  PHE A CE2 1 
ATOM   466  C  CZ  . PHE A 1 89  ? -41.526 -24.443 -11.312 1.00 91.48  ? 77  PHE A CZ  1 
ATOM   467  N  N   . MET A 1 90  ? -37.260 -23.257 -10.393 1.00 91.30  ? 78  MET A N   1 
ATOM   468  C  CA  . MET A 1 90  ? -36.391 -24.402 -10.721 1.00 87.58  ? 78  MET A CA  1 
ATOM   469  C  C   . MET A 1 90  ? -35.072 -24.116 -11.462 1.00 90.57  ? 78  MET A C   1 
ATOM   470  O  O   . MET A 1 90  ? -33.992 -24.376 -10.894 1.00 81.85  ? 78  MET A O   1 
ATOM   471  C  CB  . MET A 1 90  ? -37.170 -25.419 -11.574 1.00 86.87  ? 78  MET A CB  1 
ATOM   472  C  CG  . MET A 1 90  ? -38.095 -26.362 -10.807 1.00 89.73  ? 78  MET A CG  1 
ATOM   473  S  SD  . MET A 1 90  ? -38.885 -27.555 -11.916 1.00 109.06 ? 78  MET A SD  1 
ATOM   474  C  CE  . MET A 1 90  ? -40.352 -27.990 -10.976 1.00 83.60  ? 78  MET A CE  1 
ATOM   475  N  N   . PRO A 1 91  ? -35.155 -23.555 -12.706 1.00 88.35  ? 79  PRO A N   1 
ATOM   476  C  CA  . PRO A 1 91  ? -34.141 -23.806 -13.734 1.00 87.59  ? 79  PRO A CA  1 
ATOM   477  C  C   . PRO A 1 91  ? -33.369 -25.097 -13.489 1.00 86.44  ? 79  PRO A C   1 
ATOM   478  O  O   . PRO A 1 91  ? -32.188 -25.074 -13.125 1.00 73.95  ? 79  PRO A O   1 
ATOM   479  C  CB  . PRO A 1 91  ? -33.293 -22.544 -13.643 1.00 75.97  ? 79  PRO A CB  1 
ATOM   480  C  CG  . PRO A 1 91  ? -34.413 -21.424 -13.356 1.00 75.59  ? 79  PRO A CG  1 
ATOM   481  C  CD  . PRO A 1 91  ? -35.703 -22.207 -12.940 1.00 72.91  ? 79  PRO A CD  1 
ATOM   482  N  N   . GLN A 1 92  ? -34.104 -26.198 -13.695 1.00 85.41  ? 80  GLN A N   1 
ATOM   483  C  CA  . GLN A 1 92  ? -33.704 -27.584 -13.414 1.00 83.04  ? 80  GLN A CA  1 
ATOM   484  C  C   . GLN A 1 92  ? -33.634 -27.887 -11.907 1.00 79.14  ? 80  GLN A C   1 
ATOM   485  O  O   . GLN A 1 92  ? -32.628 -28.414 -11.409 1.00 71.89  ? 80  GLN A O   1 
ATOM   486  C  CB  . GLN A 1 92  ? -32.372 -27.922 -14.089 1.00 70.39  ? 80  GLN A CB  1 
ATOM   487  C  CG  . GLN A 1 92  ? -32.353 -27.674 -15.599 1.00 71.44  ? 80  GLN A CG  1 
ATOM   488  C  CD  . GLN A 1 92  ? -33.716 -27.866 -16.251 1.00 85.69  ? 80  GLN A CD  1 
ATOM   489  O  OE1 . GLN A 1 92  ? -34.275 -28.969 -16.255 1.00 84.21  ? 80  GLN A OE1 1 
ATOM   490  N  NE2 . GLN A 1 92  ? -34.262 -26.780 -16.800 1.00 86.96  ? 80  GLN A NE2 1 
ATOM   491  N  N   . HIS A 1 93  ? -34.719 -27.535 -11.212 1.00 75.40  ? 81  HIS A N   1 
ATOM   492  C  CA  . HIS A 1 93  ? -35.016 -27.961 -9.843  1.00 76.14  ? 81  HIS A CA  1 
ATOM   493  C  C   . HIS A 1 93  ? -33.811 -27.921 -8.883  1.00 68.14  ? 81  HIS A C   1 
ATOM   494  O  O   . HIS A 1 93  ? -33.426 -28.947 -8.301  1.00 61.41  ? 81  HIS A O   1 
ATOM   495  C  CB  . HIS A 1 93  ? -35.635 -29.374 -9.874  1.00 81.59  ? 81  HIS A CB  1 
ATOM   496  C  CG  . HIS A 1 93  ? -36.195 -29.835 -8.558  1.00 81.97  ? 81  HIS A CG  1 
ATOM   497  N  ND1 . HIS A 1 93  ? -35.410 -30.387 -7.566  1.00 84.66  ? 81  HIS A ND1 1 
ATOM   498  C  CD2 . HIS A 1 93  ? -37.463 -29.845 -8.081  1.00 78.50  ? 81  HIS A CD2 1 
ATOM   499  C  CE1 . HIS A 1 93  ? -36.168 -30.705 -6.530  1.00 84.07  ? 81  HIS A CE1 1 
ATOM   500  N  NE2 . HIS A 1 93  ? -37.418 -30.389 -6.818  1.00 83.67  ? 81  HIS A NE2 1 
ATOM   501  N  N   . THR A 1 94  ? -33.204 -26.741 -8.739  1.00 40.44  ? 82  THR A N   1 
ATOM   502  C  CA  . THR A 1 94  ? -32.322 -26.505 -7.597  1.00 36.39  ? 82  THR A CA  1 
ATOM   503  C  C   . THR A 1 94  ? -32.256 -25.021 -7.264  1.00 36.50  ? 82  THR A C   1 
ATOM   504  O  O   . THR A 1 94  ? -32.275 -24.153 -8.161  1.00 30.92  ? 82  THR A O   1 
ATOM   505  C  CB  . THR A 1 94  ? -30.896 -27.061 -7.832  1.00 39.79  ? 82  THR A CB  1 
ATOM   506  O  OG1 . THR A 1 94  ? -30.148 -27.021 -6.606  1.00 35.46  ? 82  THR A OG1 1 
ATOM   507  C  CG2 . THR A 1 94  ? -30.157 -26.307 -8.957  1.00 35.80  ? 82  THR A CG2 1 
ATOM   508  N  N   . PHE A 1 95  ? -32.212 -24.737 -5.962  1.00 28.85  ? 83  PHE A N   1 
ATOM   509  C  CA  . PHE A 1 95  ? -32.089 -23.367 -5.468  1.00 26.32  ? 83  PHE A CA  1 
ATOM   510  C  C   . PHE A 1 95  ? -30.605 -23.032 -5.164  1.00 27.19  ? 83  PHE A C   1 
ATOM   511  O  O   . PHE A 1 95  ? -30.023 -22.092 -5.713  1.00 25.68  ? 83  PHE A O   1 
ATOM   512  C  CB  . PHE A 1 95  ? -32.958 -23.164 -4.221  1.00 23.11  ? 83  PHE A CB  1 
ATOM   513  C  CG  . PHE A 1 95  ? -32.914 -21.768 -3.692  1.00 30.39  ? 83  PHE A CG  1 
ATOM   514  C  CD1 . PHE A 1 95  ? -33.512 -20.741 -4.386  1.00 22.41  ? 83  PHE A CD1 1 
ATOM   515  C  CD2 . PHE A 1 95  ? -32.251 -21.478 -2.496  1.00 31.96  ? 83  PHE A CD2 1 
ATOM   516  C  CE1 . PHE A 1 95  ? -33.455 -19.431 -3.898  1.00 34.26  ? 83  PHE A CE1 1 
ATOM   517  C  CE2 . PHE A 1 95  ? -32.196 -20.178 -2.005  1.00 31.12  ? 83  PHE A CE2 1 
ATOM   518  C  CZ  . PHE A 1 95  ? -32.804 -19.156 -2.709  1.00 34.45  ? 83  PHE A CZ  1 
ATOM   519  N  N   . HIS A 1 96  ? -29.987 -23.824 -4.307  1.00 23.10  ? 84  HIS A N   1 
ATOM   520  C  CA  . HIS A 1 96  ? -28.589 -23.588 -3.951  1.00 27.66  ? 84  HIS A CA  1 
ATOM   521  C  C   . HIS A 1 96  ? -27.589 -24.087 -5.000  1.00 27.08  ? 84  HIS A C   1 
ATOM   522  O  O   . HIS A 1 96  ? -26.406 -23.695 -4.987  1.00 27.75  ? 84  HIS A O   1 
ATOM   523  C  CB  . HIS A 1 96  ? -28.304 -24.256 -2.616  1.00 25.54  ? 84  HIS A CB  1 
ATOM   524  C  CG  . HIS A 1 96  ? -29.094 -23.668 -1.506  1.00 32.42  ? 84  HIS A CG  1 
ATOM   525  N  ND1 . HIS A 1 96  ? -28.987 -22.338 -1.163  1.00 19.13  ? 84  HIS A ND1 1 
ATOM   526  C  CD2 . HIS A 1 96  ? -30.019 -24.204 -0.675  1.00 23.37  ? 84  HIS A CD2 1 
ATOM   527  C  CE1 . HIS A 1 96  ? -29.820 -22.074 -0.177  1.00 26.35  ? 84  HIS A CE1 1 
ATOM   528  N  NE2 . HIS A 1 96  ? -30.444 -23.190 0.140   1.00 24.56  ? 84  HIS A NE2 1 
ATOM   529  N  N   . GLY A 1 97  ? -28.076 -24.955 -5.886  1.00 26.74  ? 85  GLY A N   1 
ATOM   530  C  CA  . GLY A 1 97  ? -27.266 -25.544 -6.930  1.00 25.93  ? 85  GLY A CA  1 
ATOM   531  C  C   . GLY A 1 97  ? -27.134 -24.668 -8.161  1.00 27.44  ? 85  GLY A C   1 
ATOM   532  O  O   . GLY A 1 97  ? -26.638 -25.113 -9.184  1.00 30.46  ? 85  GLY A O   1 
ATOM   533  N  N   . GLN A 1 98  ? -27.567 -23.419 -8.066  1.00 26.83  ? 86  GLN A N   1 
ATOM   534  C  CA  . GLN A 1 98  ? -27.395 -22.486 -9.171  1.00 30.79  ? 86  GLN A CA  1 
ATOM   535  C  C   . GLN A 1 98  ? -25.915 -22.101 -9.307  1.00 25.10  ? 86  GLN A C   1 
ATOM   536  O  O   . GLN A 1 98  ? -25.491 -21.019 -8.918  1.00 37.52  ? 86  GLN A O   1 
ATOM   537  C  CB  . GLN A 1 98  ? -28.305 -21.278 -8.959  1.00 30.09  ? 86  GLN A CB  1 
ATOM   538  C  CG  . GLN A 1 98  ? -29.796 -21.658 -9.030  1.00 35.61  ? 86  GLN A CG  1 
ATOM   539  C  CD  . GLN A 1 98  ? -30.297 -21.866 -10.461 1.00 36.19  ? 86  GLN A CD  1 
ATOM   540  O  OE1 . GLN A 1 98  ? -29.536 -22.178 -11.363 1.00 74.22  ? 86  GLN A OE1 1 
ATOM   541  N  NE2 . GLN A 1 98  ? -31.584 -21.661 -10.663 1.00 67.09  ? 86  GLN A NE2 1 
ATOM   542  N  N   . ILE A 1 99  ? -25.148 -23.044 -9.828  1.00 21.95  ? 87  ILE A N   1 
ATOM   543  C  CA  . ILE A 1 99  ? -23.679 -23.013 -9.857  1.00 24.11  ? 87  ILE A CA  1 
ATOM   544  C  C   . ILE A 1 99  ? -23.232 -22.635 -11.243 1.00 18.26  ? 87  ILE A C   1 
ATOM   545  O  O   . ILE A 1 99  ? -23.627 -23.327 -12.169 1.00 22.75  ? 87  ILE A O   1 
ATOM   546  C  CB  . ILE A 1 99  ? -23.070 -24.406 -9.564  1.00 27.34  ? 87  ILE A CB  1 
ATOM   547  C  CG1 . ILE A 1 99  ? -23.459 -24.909 -8.166  1.00 24.59  ? 87  ILE A CG1 1 
ATOM   548  C  CG2 . ILE A 1 99  ? -21.544 -24.428 -9.855  1.00 15.56  ? 87  ILE A CG2 1 
ATOM   549  C  CD1 . ILE A 1 99  ? -22.931 -24.097 -7.063  1.00 23.55  ? 87  ILE A CD1 1 
ATOM   550  N  N   . ASP A 1 100 ? -22.398 -21.605 -11.391 1.00 12.56  ? 88  ASP A N   1 
ATOM   551  C  CA  . ASP A 1 100 ? -21.872 -21.293 -12.729 1.00 19.68  ? 88  ASP A CA  1 
ATOM   552  C  C   . ASP A 1 100 ? -20.359 -21.111 -12.811 1.00 12.92  ? 88  ASP A C   1 
ATOM   553  O  O   . ASP A 1 100 ? -19.823 -20.809 -13.877 1.00 14.14  ? 88  ASP A O   1 
ATOM   554  C  CB  . ASP A 1 100 ? -22.603 -20.079 -13.311 1.00 20.82  ? 88  ASP A CB  1 
ATOM   555  C  CG  . ASP A 1 100 ? -22.244 -18.762 -12.654 1.00 21.49  ? 88  ASP A CG  1 
ATOM   556  O  OD1 . ASP A 1 100 ? -21.468 -18.699 -11.703 1.00 23.91  ? 88  ASP A OD1 1 
ATOM   557  O  OD2 . ASP A 1 100 ? -22.773 -17.735 -13.121 1.00 42.50  ? 88  ASP A OD2 1 
ATOM   558  N  N   . THR A 1 101 ? -19.667 -21.348 -11.708 1.00 9.49   ? 89  THR A N   1 
ATOM   559  C  CA  . THR A 1 101 ? -18.222 -21.275 -11.710 1.00 10.17  ? 89  THR A CA  1 
ATOM   560  C  C   . THR A 1 101 ? -17.633 -22.476 -10.973 1.00 12.06  ? 89  THR A C   1 
ATOM   561  O  O   . THR A 1 101 ? -18.107 -22.855 -9.894  1.00 11.55  ? 89  THR A O   1 
ATOM   562  C  CB  . THR A 1 101 ? -17.751 -19.994 -11.044 1.00 13.47  ? 89  THR A CB  1 
ATOM   563  O  OG1 . THR A 1 101 ? -18.479 -18.887 -11.613 1.00 19.62  ? 89  THR A OG1 1 
ATOM   564  C  CG2 . THR A 1 101 ? -16.298 -19.800 -11.247 1.00 19.02  ? 89  THR A CG2 1 
ATOM   565  N  N   . LEU A 1 102 ? -16.545 -23.019 -11.501 1.00 10.70  ? 90  LEU A N   1 
ATOM   566  C  CA  . LEU A 1 102 ? -16.002 -24.199 -10.904 1.00 8.70   ? 90  LEU A CA  1 
ATOM   567  C  C   . LEU A 1 102 ? -14.492 -24.058 -10.999 1.00 10.03  ? 90  LEU A C   1 
ATOM   568  O  O   . LEU A 1 102 ? -13.960 -23.755 -12.063 1.00 12.89  ? 90  LEU A O   1 
ATOM   569  C  CB  . LEU A 1 102 ? -16.544 -25.435 -11.670 1.00 10.84  ? 90  LEU A CB  1 
ATOM   570  C  CG  . LEU A 1 102 ? -16.062 -26.755 -11.115 1.00 13.83  ? 90  LEU A CG  1 
ATOM   571  C  CD1 . LEU A 1 102 ? -16.601 -26.922 -9.711  1.00 10.58  ? 90  LEU A CD1 1 
ATOM   572  C  CD2 . LEU A 1 102 ? -16.465 -27.927 -12.009 1.00 15.40  ? 90  LEU A CD2 1 
ATOM   573  N  N   . GLN A 1 103 ? -13.797 -24.268 -9.899  1.00 10.75  ? 91  GLN A N   1 
ATOM   574  C  CA  . GLN A 1 103 ? -12.369 -23.922 -9.836  1.00 9.97   ? 91  GLN A CA  1 
ATOM   575  C  C   . GLN A 1 103 ? -11.618 -25.003 -9.140  1.00 11.85  ? 91  GLN A C   1 
ATOM   576  O  O   . GLN A 1 103 ? -12.060 -25.506 -8.107  1.00 9.42   ? 91  GLN A O   1 
ATOM   577  C  CB  . GLN A 1 103 ? -12.167 -22.576 -9.120  1.00 13.86  ? 91  GLN A CB  1 
ATOM   578  C  CG  . GLN A 1 103 ? -10.763 -22.001 -9.151  1.00 10.95  ? 91  GLN A CG  1 
ATOM   579  C  CD  . GLN A 1 103 ? -10.783 -20.635 -8.508  1.00 15.23  ? 91  GLN A CD  1 
ATOM   580  O  OE1 . GLN A 1 103 ? -10.944 -20.547 -7.278  1.00 15.42  ? 91  GLN A OE1 1 
ATOM   581  N  NE2 . GLN A 1 103 ? -10.676 -19.568 -9.316  1.00 11.68  ? 91  GLN A NE2 1 
ATOM   582  N  N   . PHE A 1 104 ? -10.464 -25.335 -9.684  1.00 7.97   ? 92  PHE A N   1 
ATOM   583  C  CA  . PHE A 1 104 ? -9.630  -26.386 -9.104  1.00 9.34   ? 92  PHE A CA  1 
ATOM   584  C  C   . PHE A 1 104 ? -8.233  -25.869 -8.771  1.00 11.35  ? 92  PHE A C   1 
ATOM   585  O  O   . PHE A 1 104 ? -7.652  -25.104 -9.536  1.00 11.31  ? 92  PHE A O   1 
ATOM   586  C  CB  . PHE A 1 104 ? -9.488  -27.559 -10.098 1.00 9.23   ? 92  PHE A CB  1 
ATOM   587  C  CG  . PHE A 1 104 ? -10.749 -28.277 -10.368 1.00 9.42   ? 92  PHE A CG  1 
ATOM   588  C  CD1 . PHE A 1 104 ? -11.134 -29.381 -9.592  1.00 15.22  ? 92  PHE A CD1 1 
ATOM   589  C  CD2 . PHE A 1 104 ? -11.562 -27.861 -11.417 1.00 11.96  ? 92  PHE A CD2 1 
ATOM   590  C  CE1 . PHE A 1 104 ? -12.345 -30.046 -9.832  1.00 13.34  ? 92  PHE A CE1 1 
ATOM   591  C  CE2 . PHE A 1 104 ? -12.743 -28.518 -11.694 1.00 10.79  ? 92  PHE A CE2 1 
ATOM   592  C  CZ  . PHE A 1 104 ? -13.161 -29.594 -10.894 1.00 11.95  ? 92  PHE A CZ  1 
ATOM   593  N  N   . GLY A 1 105 ? -7.659  -26.345 -7.672  1.00 15.51  ? 93  GLY A N   1 
ATOM   594  C  CA  . GLY A 1 105 ? -6.289  -26.027 -7.355  1.00 12.29  ? 93  GLY A CA  1 
ATOM   595  C  C   . GLY A 1 105 ? -5.819  -26.609 -6.032  1.00 13.98  ? 93  GLY A C   1 
ATOM   596  O  O   . GLY A 1 105 ? -6.165  -27.746 -5.681  1.00 13.73  ? 93  GLY A O   1 
ATOM   597  N  N   . LYS A 1 106 ? -5.044  -25.830 -5.286  1.00 14.07  ? 94  LYS A N   1 
ATOM   598  C  CA  . LYS A 1 106 ? -4.662  -26.233 -3.927  1.00 14.18  ? 94  LYS A CA  1 
ATOM   599  C  C   . LYS A 1 106 ? -4.809  -25.119 -2.873  1.00 15.61  ? 94  LYS A C   1 
ATOM   600  O  O   . LYS A 1 106 ? -4.835  -23.918 -3.216  1.00 14.23  ? 94  LYS A O   1 
ATOM   601  C  CB  . LYS A 1 106 ? -3.215  -26.700 -3.907  1.00 20.66  ? 94  LYS A CB  1 
ATOM   602  C  CG  . LYS A 1 106 ? -2.948  -27.868 -4.844  1.00 23.30  ? 94  LYS A CG  1 
ATOM   603  C  CD  . LYS A 1 106 ? -1.563  -27.784 -5.394  1.00 42.65  ? 94  LYS A CD  1 
ATOM   604  C  CE  . LYS A 1 106 ? -0.823  -29.106 -5.287  1.00 42.42  ? 94  LYS A CE  1 
ATOM   605  N  NZ  . LYS A 1 106 ? 0.608   -28.967 -5.745  1.00 54.90  ? 94  LYS A NZ  1 
ATOM   606  N  N   . ASP A 1 107 ? -4.843  -25.569 -1.612  1.00 16.75  ? 95  ASP A N   1 
ATOM   607  C  CA  . ASP A 1 107 ? -4.683  -24.728 -0.422  1.00 15.17  ? 95  ASP A CA  1 
ATOM   608  C  C   . ASP A 1 107 ? -5.866  -23.801 -0.204  1.00 11.94  ? 95  ASP A C   1 
ATOM   609  O  O   . ASP A 1 107 ? -5.766  -22.595 -0.342  1.00 16.08  ? 95  ASP A O   1 
ATOM   610  C  CB  . ASP A 1 107 ? -3.386  -23.931 -0.550  1.00 15.61  ? 95  ASP A CB  1 
ATOM   611  C  CG  . ASP A 1 107 ? -2.167  -24.830 -0.685  1.00 26.37  ? 95  ASP A CG  1 
ATOM   612  O  OD1 . ASP A 1 107 ? -2.139  -25.882 -0.020  1.00 27.05  ? 95  ASP A OD1 1 
ATOM   613  O  OD2 . ASP A 1 107 ? -1.251  -24.488 -1.454  1.00 28.36  ? 95  ASP A OD2 1 
ATOM   614  N  N   . LEU A 1 108 ? -7.005  -24.386 0.073   1.00 10.22  ? 96  LEU A N   1 
ATOM   615  C  CA  . LEU A 1 108 ? -8.133  -23.569 0.526   1.00 13.81  ? 96  LEU A CA  1 
ATOM   616  C  C   . LEU A 1 108 ? -7.754  -22.708 1.723   1.00 21.87  ? 96  LEU A C   1 
ATOM   617  O  O   . LEU A 1 108 ? -7.085  -23.181 2.634   1.00 16.59  ? 96  LEU A O   1 
ATOM   618  C  CB  . LEU A 1 108 ? -9.327  -24.466 0.860   1.00 10.30  ? 96  LEU A CB  1 
ATOM   619  C  CG  . LEU A 1 108 ? -10.062 -25.039 -0.367  1.00 12.69  ? 96  LEU A CG  1 
ATOM   620  C  CD1 . LEU A 1 108 ? -10.978 -26.154 0.123   1.00 13.26  ? 96  LEU A CD1 1 
ATOM   621  C  CD2 . LEU A 1 108 ? -10.901 -23.989 -1.099  1.00 11.99  ? 96  LEU A CD2 1 
ATOM   622  N  N   . ALA A 1 109 ? -8.169  -21.435 1.694   1.00 19.05  ? 97  ALA A N   1 
ATOM   623  C  CA  . ALA A 1 109 ? -7.846  -20.475 2.743   1.00 18.89  ? 97  ALA A CA  1 
ATOM   624  C  C   . ALA A 1 109 ? -9.023  -19.535 2.993   1.00 19.39  ? 97  ALA A C   1 
ATOM   625  O  O   . ALA A 1 109 ? -9.889  -19.382 2.149   1.00 12.53  ? 97  ALA A O   1 
ATOM   626  C  CB  . ALA A 1 109 ? -6.589  -19.670 2.355   1.00 16.27  ? 97  ALA A CB  1 
ATOM   627  N  N   . THR A 1 110 ? -9.069  -18.926 4.174   1.00 9.63   ? 98  THR A N   1 
ATOM   628  C  CA  . THR A 1 110 ? -10.183 -18.061 4.532   1.00 10.52  ? 98  THR A CA  1 
ATOM   629  C  C   . THR A 1 110 ? -9.979  -16.730 3.897   1.00 16.13  ? 98  THR A C   1 
ATOM   630  O  O   . THR A 1 110 ? -8.852  -16.233 3.844   1.00 15.21  ? 98  THR A O   1 
ATOM   631  C  CB  . THR A 1 110 ? -10.287 -17.954 6.107   1.00 10.31  ? 98  THR A CB  1 
ATOM   632  O  OG1 . THR A 1 110 ? -10.552 -19.241 6.643   1.00 12.14  ? 98  THR A OG1 1 
ATOM   633  C  CG2 . THR A 1 110 ? -11.424 -17.016 6.564   1.00 11.58  ? 98  THR A CG2 1 
ATOM   634  N  N   . ASN A 1 111 ? -11.054 -16.138 3.387   1.00 9.50   ? 99  ASN A N   1 
ATOM   635  C  CA  . ASN A 1 111 ? -10.959 -14.839 2.759   1.00 12.45  ? 99  ASN A CA  1 
ATOM   636  C  C   . ASN A 1 111 ? -10.675 -13.757 3.790   1.00 16.82  ? 99  ASN A C   1 
ATOM   637  O  O   . ASN A 1 111 ? -10.859 -13.960 5.000   1.00 15.94  ? 99  ASN A O   1 
ATOM   638  C  CB  . ASN A 1 111 ? -12.243 -14.513 1.974   1.00 15.00  ? 99  ASN A CB  1 
ATOM   639  C  CG  . ASN A 1 111 ? -12.356 -15.347 0.694   1.00 12.13  ? 99  ASN A CG  1 
ATOM   640  O  OD1 . ASN A 1 111 ? -11.351 -15.588 0.050   1.00 15.55  ? 99  ASN A OD1 1 
ATOM   641  N  ND2 . ASN A 1 111 ? -13.543 -15.794 0.356   1.00 11.62  ? 99  ASN A ND2 1 
ATOM   642  N  N   . ALA A 1 112 ? -10.144 -12.646 3.307   1.00 18.98  ? 100 ALA A N   1 
ATOM   643  C  CA  . ALA A 1 112 ? -10.060 -11.432 4.106   1.00 23.99  ? 100 ALA A CA  1 
ATOM   644  C  C   . ALA A 1 112 ? -11.439 -11.078 4.612   1.00 24.12  ? 100 ALA A C   1 
ATOM   645  O  O   . ALA A 1 112 ? -12.412 -11.134 3.878   1.00 29.34  ? 100 ALA A O   1 
ATOM   646  C  CB  . ALA A 1 112 ? -9.511  -10.301 3.279   1.00 24.04  ? 100 ALA A CB  1 
ATOM   647  N  N   . GLY A 1 113 ? -11.555 -10.710 5.862   1.00 23.63  ? 101 GLY A N   1 
ATOM   648  C  CA  . GLY A 1 113 ? -12.874 -10.310 6.299   1.00 26.77  ? 101 GLY A CA  1 
ATOM   649  C  C   . GLY A 1 113 ? -13.501 -11.399 7.123   1.00 26.44  ? 101 GLY A C   1 
ATOM   650  O  O   . GLY A 1 113 ? -14.646 -11.286 7.517   1.00 32.69  ? 101 GLY A O   1 
ATOM   651  N  N   . GLY A 1 114 ? -12.751 -12.465 7.377   1.00 18.40  ? 102 GLY A N   1 
ATOM   652  C  CA  . GLY A 1 114 ? -13.183 -13.427 8.352   1.00 18.62  ? 102 GLY A CA  1 
ATOM   653  C  C   . GLY A 1 114 ? -13.933 -14.619 7.828   1.00 18.14  ? 102 GLY A C   1 
ATOM   654  O  O   . GLY A 1 114 ? -14.195 -14.772 6.634   1.00 17.08  ? 102 GLY A O   1 
ATOM   655  N  N   . PRO A 1 115 ? -14.278 -15.503 8.738   1.00 14.68  ? 103 PRO A N   1 
ATOM   656  C  CA  . PRO A 1 115 ? -14.899 -16.781 8.365   1.00 14.41  ? 103 PRO A CA  1 
ATOM   657  C  C   . PRO A 1 115 ? -16.193 -16.572 7.568   1.00 18.62  ? 103 PRO A C   1 
ATOM   658  O  O   . PRO A 1 115 ? -16.455 -17.348 6.638   1.00 10.55  ? 103 PRO A O   1 
ATOM   659  C  CB  . PRO A 1 115 ? -15.158 -17.446 9.733   1.00 17.46  ? 103 PRO A CB  1 
ATOM   660  C  CG  . PRO A 1 115 ? -14.078 -16.835 10.623  1.00 22.36  ? 103 PRO A CG  1 
ATOM   661  C  CD  . PRO A 1 115 ? -13.929 -15.422 10.173  1.00 19.88  ? 103 PRO A CD  1 
ATOM   662  N  N   . SER A 1 116 ? -16.949 -15.519 7.894   1.00 11.83  ? 104 SER A N   1 
ATOM   663  C  CA  . SER A 1 116 ? -18.195 -15.203 7.188   1.00 14.05  ? 104 SER A CA  1 
ATOM   664  C  C   . SER A 1 116 ? -17.969 -15.037 5.685   1.00 12.56  ? 104 SER A C   1 
ATOM   665  O  O   . SER A 1 116 ? -18.852 -15.354 4.874   1.00 14.18  ? 104 SER A O   1 
ATOM   666  C  CB  . SER A 1 116 ? -18.801 -13.922 7.760   1.00 11.38  ? 104 SER A CB  1 
ATOM   667  O  OG  . SER A 1 116 ? -19.462 -14.187 8.991   1.00 19.12  ? 104 SER A OG  1 
ATOM   668  N  N   . ALA A 1 117 ? -16.778 -14.553 5.325   1.00 14.80  ? 105 ALA A N   1 
ATOM   669  C  CA  . ALA A 1 117 ? -16.456 -14.230 3.915   1.00 11.25  ? 105 ALA A CA  1 
ATOM   670  C  C   . ALA A 1 117 ? -16.093 -15.440 3.027   1.00 10.30  ? 105 ALA A C   1 
ATOM   671  O  O   . ALA A 1 117 ? -15.789 -15.287 1.847   1.00 11.59  ? 105 ALA A O   1 
ATOM   672  C  CB  . ALA A 1 117 ? -15.304 -13.187 3.893   1.00 12.98  ? 105 ALA A CB  1 
ATOM   673  N  N   . GLY A 1 118 ? -16.132 -16.637 3.578   1.00 8.42   ? 106 GLY A N   1 
ATOM   674  C  CA  . GLY A 1 118 ? -15.921 -17.834 2.780   1.00 8.59   ? 106 GLY A CA  1 
ATOM   675  C  C   . GLY A 1 118 ? -14.443 -18.071 2.466   1.00 18.26  ? 106 GLY A C   1 
ATOM   676  O  O   . GLY A 1 118 ? -13.533 -17.540 3.147   1.00 11.34  ? 106 GLY A O   1 
ATOM   677  N  N   . LYS A 1 119 ? -14.218 -18.845 1.401   1.00 12.06  ? 107 LYS A N   1 
ATOM   678  C  CA  . LYS A 1 119 ? -12.900 -19.386 1.082   1.00 8.39   ? 107 LYS A CA  1 
ATOM   679  C  C   . LYS A 1 119 ? -12.343 -18.908 -0.256  1.00 10.09  ? 107 LYS A C   1 
ATOM   680  O  O   . LYS A 1 119 ? -13.089 -18.432 -1.089  1.00 11.30  ? 107 LYS A O   1 
ATOM   681  C  CB  . LYS A 1 119 ? -13.002 -20.914 1.066   1.00 11.29  ? 107 LYS A CB  1 
ATOM   682  C  CG  . LYS A 1 119 ? -13.548 -21.563 2.348   1.00 11.09  ? 107 LYS A CG  1 
ATOM   683  C  CD  . LYS A 1 119 ? -12.625 -21.298 3.548   1.00 12.13  ? 107 LYS A CD  1 
ATOM   684  C  CE  . LYS A 1 119 ? -12.992 -22.173 4.784   1.00 17.51  ? 107 LYS A CE  1 
ATOM   685  N  NZ  . LYS A 1 119 ? -14.328 -21.720 5.380   1.00 24.94  ? 107 LYS A NZ  1 
ATOM   686  N  N   . HIS A 1 120 ? -11.031 -19.041 -0.463  1.00 10.84  ? 108 HIS A N   1 
ATOM   687  C  CA  . HIS A 1 120 ? -10.462 -18.941 -1.818  1.00 10.43  ? 108 HIS A CA  1 
ATOM   688  C  C   . HIS A 1 120 ? -9.399  -20.013 -1.925  1.00 11.54  ? 108 HIS A C   1 
ATOM   689  O  O   . HIS A 1 120 ? -8.971  -20.532 -0.922  1.00 13.67  ? 108 HIS A O   1 
ATOM   690  C  CB  . HIS A 1 120 ? -9.833  -17.579 -2.121  1.00 14.78  ? 108 HIS A CB  1 
ATOM   691  C  CG  . HIS A 1 120 ? -8.702  -17.236 -1.196  1.00 14.15  ? 108 HIS A CG  1 
ATOM   692  N  ND1 . HIS A 1 120 ? -8.894  -16.597 0.003   1.00 18.48  ? 108 HIS A ND1 1 
ATOM   693  C  CD2 . HIS A 1 120 ? -7.369  -17.465 -1.293  1.00 18.76  ? 108 HIS A CD2 1 
ATOM   694  C  CE1 . HIS A 1 120 ? -7.726  -16.448 0.619   1.00 19.76  ? 108 HIS A CE1 1 
ATOM   695  N  NE2 . HIS A 1 120 ? -6.786  -16.964 -0.150  1.00 17.24  ? 108 HIS A NE2 1 
ATOM   696  N  N   . LEU A 1 121 ? -8.997  -20.358 -3.138  1.00 9.30   ? 109 LEU A N   1 
ATOM   697  C  CA  . LEU A 1 121 ? -7.831  -21.244 -3.304  1.00 10.07  ? 109 LEU A CA  1 
ATOM   698  C  C   . LEU A 1 121 ? -6.547  -20.404 -3.389  1.00 8.56   ? 109 LEU A C   1 
ATOM   699  O  O   . LEU A 1 121 ? -6.452  -19.466 -4.220  1.00 14.67  ? 109 LEU A O   1 
ATOM   700  C  CB  . LEU A 1 121 ? -7.979  -22.094 -4.585  1.00 10.38  ? 109 LEU A CB  1 
ATOM   701  C  CG  . LEU A 1 121 ? -9.012  -23.212 -4.512  1.00 9.56   ? 109 LEU A CG  1 
ATOM   702  C  CD1 . LEU A 1 121 ? -9.593  -23.573 -5.923  1.00 10.13  ? 109 LEU A CD1 1 
ATOM   703  C  CD2 . LEU A 1 121 ? -8.433  -24.497 -3.712  1.00 13.97  ? 109 LEU A CD2 1 
ATOM   704  N  N   . GLU A 1 122 ? -5.544  -20.730 -2.565  1.00 13.97  ? 110 GLU A N   1 
ATOM   705  C  CA  . GLU A 1 122 ? -4.243  -20.015 -2.663  1.00 18.95  ? 110 GLU A CA  1 
ATOM   706  C  C   . GLU A 1 122 ? -3.534  -20.283 -3.992  1.00 22.97  ? 110 GLU A C   1 
ATOM   707  O  O   . GLU A 1 122 ? -2.859  -19.413 -4.553  1.00 17.80  ? 110 GLU A O   1 
ATOM   708  C  CB  . GLU A 1 122 ? -3.298  -20.414 -1.535  1.00 13.82  ? 110 GLU A CB  1 
ATOM   709  C  CG  . GLU A 1 122 ? -3.835  -20.173 -0.174  1.00 29.94  ? 110 GLU A CG  1 
ATOM   710  C  CD  . GLU A 1 122 ? -3.484  -18.841 0.365   1.00 36.94  ? 110 GLU A CD  1 
ATOM   711  O  OE1 . GLU A 1 122 ? -3.929  -17.800 -0.188  1.00 46.03  ? 110 GLU A OE1 1 
ATOM   712  O  OE2 . GLU A 1 122 ? -2.766  -18.845 1.369   1.00 41.45  ? 110 GLU A OE2 1 
ATOM   713  N  N   . LYS A 1 123 ? -3.690  -21.497 -4.483  1.00 18.78  ? 111 LYS A N   1 
ATOM   714  C  CA  . LYS A 1 123 ? -3.084  -21.877 -5.771  1.00 16.88  ? 111 LYS A CA  1 
ATOM   715  C  C   . LYS A 1 123 ? -4.205  -22.275 -6.700  1.00 13.69  ? 111 LYS A C   1 
ATOM   716  O  O   . LYS A 1 123 ? -4.856  -23.294 -6.479  1.00 21.09  ? 111 LYS A O   1 
ATOM   717  C  CB  . LYS A 1 123 ? -2.101  -23.043 -5.626  1.00 18.26  ? 111 LYS A CB  1 
ATOM   718  C  CG  . LYS A 1 123 ? -0.810  -22.694 -4.849  1.00 30.75  ? 111 LYS A CG  1 
ATOM   719  C  CD  . LYS A 1 123 ? -0.090  -23.976 -4.384  1.00 43.62  ? 111 LYS A CD  1 
ATOM   720  C  CE  . LYS A 1 123 ? 1.095   -23.692 -3.435  1.00 43.19  ? 111 LYS A CE  1 
ATOM   721  N  NZ  . LYS A 1 123 ? 2.408   -23.684 -4.139  1.00 52.52  ? 111 LYS A NZ  1 
ATOM   722  N  N   . ILE A 1 124 ? -4.404  -21.485 -7.740  1.00 16.37  ? 112 ILE A N   1 
ATOM   723  C  CA  . ILE A 1 124 ? -5.468  -21.702 -8.673  1.00 15.00  ? 112 ILE A CA  1 
ATOM   724  C  C   . ILE A 1 124 ? -4.943  -22.317 -9.921  1.00 16.98  ? 112 ILE A C   1 
ATOM   725  O  O   . ILE A 1 124 ? -4.153  -21.680 -10.597 1.00 17.24  ? 112 ILE A O   1 
ATOM   726  C  CB  . ILE A 1 124 ? -6.155  -20.391 -9.038  1.00 14.04  ? 112 ILE A CB  1 
ATOM   727  C  CG1 . ILE A 1 124 ? -6.859  -19.858 -7.782  1.00 16.28  ? 112 ILE A CG1 1 
ATOM   728  C  CG2 . ILE A 1 124 ? -7.118  -20.625 -10.203 1.00 13.91  ? 112 ILE A CG2 1 
ATOM   729  C  CD1 . ILE A 1 124 ? -7.503  -18.473 -7.926  1.00 16.29  ? 112 ILE A CD1 1 
ATOM   730  N  N   . ASP A 1 125 ? -5.377  -23.530 -10.254 1.00 12.83  ? 113 ASP A N   1 
ATOM   731  C  CA  . ASP A 1 125 ? -4.851  -24.163 -11.466 1.00 12.19  ? 113 ASP A CA  1 
ATOM   732  C  C   . ASP A 1 125 ? -5.778  -23.866 -12.654 1.00 17.43  ? 113 ASP A C   1 
ATOM   733  O  O   . ASP A 1 125 ? -5.325  -23.427 -13.711 1.00 14.02  ? 113 ASP A O   1 
ATOM   734  C  CB  . ASP A 1 125 ? -4.698  -25.707 -11.329 1.00 13.28  ? 113 ASP A CB  1 
ATOM   735  C  CG  . ASP A 1 125 ? -3.790  -26.144 -10.185 1.00 16.20  ? 113 ASP A CG  1 
ATOM   736  O  OD1 . ASP A 1 125 ? -2.888  -25.388 -9.760  1.00 14.73  ? 113 ASP A OD1 1 
ATOM   737  O  OD2 . ASP A 1 125 ? -4.007  -27.289 -9.715  1.00 17.50  ? 113 ASP A OD2 1 
ATOM   738  N  N   . ILE A 1 126 ? -7.081  -24.151 -12.508 1.00 15.85  ? 114 ILE A N   1 
ATOM   739  C  CA  . ILE A 1 126 ? -7.994  -24.037 -13.643 1.00 8.63   ? 114 ILE A CA  1 
ATOM   740  C  C   . ILE A 1 126 ? -9.315  -23.473 -13.126 1.00 11.67  ? 114 ILE A C   1 
ATOM   741  O  O   . ILE A 1 126 ? -9.755  -23.848 -12.051 1.00 9.75   ? 114 ILE A O   1 
ATOM   742  C  CB  . ILE A 1 126 ? -8.216  -25.434 -14.350 1.00 17.09  ? 114 ILE A CB  1 
ATOM   743  C  CG1 . ILE A 1 126 ? -6.994  -25.812 -15.214 1.00 21.01  ? 114 ILE A CG1 1 
ATOM   744  C  CG2 . ILE A 1 126 ? -9.298  -25.345 -15.383 1.00 17.34  ? 114 ILE A CG2 1 
ATOM   745  C  CD1 . ILE A 1 126 ? -5.980  -26.502 -14.517 1.00 32.13  ? 114 ILE A CD1 1 
ATOM   746  N  N   . THR A 1 127 ? -9.913  -22.558 -13.851 1.00 11.62  ? 115 THR A N   1 
ATOM   747  C  CA  . THR A 1 127 ? -11.217 -21.989 -13.493 1.00 14.24  ? 115 THR A CA  1 
ATOM   748  C  C   . THR A 1 127 ? -12.177 -22.112 -14.694 1.00 12.87  ? 115 THR A C   1 
ATOM   749  O  O   . THR A 1 127 ? -11.823 -21.675 -15.822 1.00 13.53  ? 115 THR A O   1 
ATOM   750  C  CB  . THR A 1 127 ? -11.132 -20.488 -13.129 1.00 12.00  ? 115 THR A CB  1 
ATOM   751  O  OG1 . THR A 1 127 ? -10.164 -20.291 -12.108 1.00 13.87  ? 115 THR A OG1 1 
ATOM   752  C  CG2 . THR A 1 127 ? -12.521 -19.941 -12.725 1.00 14.56  ? 115 THR A CG2 1 
ATOM   753  N  N   . PHE A 1 128 ? -13.345 -22.716 -14.472 1.00 9.26   ? 116 PHE A N   1 
ATOM   754  C  CA  . PHE A 1 128 ? -14.402 -22.739 -15.467 1.00 10.95  ? 116 PHE A CA  1 
ATOM   755  C  C   . PHE A 1 128 ? -15.404 -21.625 -15.217 1.00 13.84  ? 116 PHE A C   1 
ATOM   756  O  O   . PHE A 1 128 ? -16.079 -21.613 -14.195 1.00 11.49  ? 116 PHE A O   1 
ATOM   757  C  CB  . PHE A 1 128 ? -15.147 -24.076 -15.474 1.00 12.39  ? 116 PHE A CB  1 
ATOM   758  C  CG  . PHE A 1 128 ? -14.281 -25.256 -15.793 1.00 14.07  ? 116 PHE A CG  1 
ATOM   759  C  CD1 . PHE A 1 128 ? -13.439 -25.812 -14.827 1.00 10.92  ? 116 PHE A CD1 1 
ATOM   760  C  CD2 . PHE A 1 128 ? -14.320 -25.827 -17.075 1.00 15.52  ? 116 PHE A CD2 1 
ATOM   761  C  CE1 . PHE A 1 128 ? -12.622 -26.907 -15.118 1.00 12.82  ? 116 PHE A CE1 1 
ATOM   762  C  CE2 . PHE A 1 128 ? -13.502 -26.929 -17.392 1.00 17.66  ? 116 PHE A CE2 1 
ATOM   763  C  CZ  . PHE A 1 128 ? -12.650 -27.470 -16.407 1.00 15.85  ? 116 PHE A CZ  1 
ATOM   764  N  N   . ASN A 1 129 ? -15.503 -20.708 -16.155 1.00 12.13  ? 117 ASN A N   1 
ATOM   765  C  CA  . ASN A 1 129 ? -16.418 -19.551 -16.026 1.00 8.97   ? 117 ASN A CA  1 
ATOM   766  C  C   . ASN A 1 129 ? -17.665 -19.768 -16.859 1.00 13.89  ? 117 ASN A C   1 
ATOM   767  O  O   . ASN A 1 129 ? -17.567 -20.294 -17.976 1.00 10.48  ? 117 ASN A O   1 
ATOM   768  C  CB  . ASN A 1 129 ? -15.698 -18.263 -16.447 1.00 15.28  ? 117 ASN A CB  1 
ATOM   769  C  CG  . ASN A 1 129 ? -14.548 -17.946 -15.560 1.00 14.74  ? 117 ASN A CG  1 
ATOM   770  O  OD1 . ASN A 1 129 ? -14.689 -17.943 -14.332 1.00 14.09  ? 117 ASN A OD1 1 
ATOM   771  N  ND2 . ASN A 1 129 ? -13.372 -17.685 -16.140 1.00 12.28  ? 117 ASN A ND2 1 
ATOM   772  N  N   . GLU A 1 130 ? -18.835 -19.374 -16.343 1.00 11.78  ? 118 GLU A N   1 
ATOM   773  C  CA  . GLU A 1 130 ? -20.108 -19.592 -17.043 1.00 13.27  ? 118 GLU A CA  1 
ATOM   774  C  C   . GLU A 1 130 ? -20.279 -21.038 -17.472 1.00 17.78  ? 118 GLU A C   1 
ATOM   775  O  O   . GLU A 1 130 ? -20.584 -21.357 -18.631 1.00 16.09  ? 118 GLU A O   1 
ATOM   776  C  CB  . GLU A 1 130 ? -20.229 -18.688 -18.287 1.00 23.69  ? 118 GLU A CB  1 
ATOM   777  C  CG  . GLU A 1 130 ? -20.042 -17.242 -17.958 1.00 20.81  ? 118 GLU A CG  1 
ATOM   778  C  CD  . GLU A 1 130 ? -21.245 -16.665 -17.240 1.00 24.74  ? 118 GLU A CD  1 
ATOM   779  O  OE1 . GLU A 1 130 ? -21.117 -15.561 -16.675 1.00 37.11  ? 118 GLU A OE1 1 
ATOM   780  O  OE2 . GLU A 1 130 ? -22.314 -17.319 -17.217 1.00 32.95  ? 118 GLU A OE2 1 
ATOM   781  N  N   . LEU A 1 131 ? -20.075 -21.917 -16.517 1.00 13.95  ? 119 LEU A N   1 
ATOM   782  C  CA  . LEU A 1 131 ? -20.314 -23.337 -16.695 1.00 10.57  ? 119 LEU A CA  1 
ATOM   783  C  C   . LEU A 1 131 ? -21.552 -23.658 -15.911 1.00 18.68  ? 119 LEU A C   1 
ATOM   784  O  O   . LEU A 1 131 ? -21.458 -23.845 -14.713 1.00 17.11  ? 119 LEU A O   1 
ATOM   785  C  CB  . LEU A 1 131 ? -19.125 -24.157 -16.145 1.00 14.83  ? 119 LEU A CB  1 
ATOM   786  C  CG  . LEU A 1 131 ? -19.360 -25.665 -16.087 1.00 19.07  ? 119 LEU A CG  1 
ATOM   787  C  CD1 . LEU A 1 131 ? -19.783 -26.217 -17.465 1.00 19.45  ? 119 LEU A CD1 1 
ATOM   788  C  CD2 . LEU A 1 131 ? -18.114 -26.422 -15.519 1.00 16.73  ? 119 LEU A CD2 1 
ATOM   789  N  N   . ASP A 1 132 ? -22.699 -23.717 -16.553 1.00 18.28  ? 120 ASP A N   1 
ATOM   790  C  CA  . ASP A 1 132 ? -23.975 -23.847 -15.824 1.00 20.63  ? 120 ASP A CA  1 
ATOM   791  C  C   . ASP A 1 132 ? -24.240 -25.267 -15.345 1.00 22.33  ? 120 ASP A C   1 
ATOM   792  O  O   . ASP A 1 132 ? -24.652 -26.107 -16.129 1.00 25.09  ? 120 ASP A O   1 
ATOM   793  C  CB  . ASP A 1 132 ? -25.126 -23.394 -16.725 1.00 32.60  ? 120 ASP A CB  1 
ATOM   794  C  CG  . ASP A 1 132 ? -26.456 -23.313 -15.995 1.00 40.35  ? 120 ASP A CG  1 
ATOM   795  O  OD1 . ASP A 1 132 ? -26.505 -23.623 -14.786 1.00 32.38  ? 120 ASP A OD1 1 
ATOM   796  O  OD2 . ASP A 1 132 ? -27.460 -22.936 -16.644 1.00 44.54  ? 120 ASP A OD2 1 
ATOM   797  N  N   . LEU A 1 133 ? -24.023 -25.531 -14.057 1.00 18.08  ? 121 LEU A N   1 
ATOM   798  C  CA  . LEU A 1 133 ? -24.195 -26.865 -13.523 1.00 23.97  ? 121 LEU A CA  1 
ATOM   799  C  C   . LEU A 1 133 ? -25.532 -27.050 -12.814 1.00 27.17  ? 121 LEU A C   1 
ATOM   800  O  O   . LEU A 1 133 ? -25.768 -28.097 -12.210 1.00 30.92  ? 121 LEU A O   1 
ATOM   801  C  CB  . LEU A 1 133 ? -23.055 -27.191 -12.561 1.00 23.44  ? 121 LEU A CB  1 
ATOM   802  C  CG  . LEU A 1 133 ? -21.683 -27.167 -13.233 1.00 24.86  ? 121 LEU A CG  1 
ATOM   803  C  CD1 . LEU A 1 133 ? -20.555 -27.412 -12.200 1.00 27.08  ? 121 LEU A CD1 1 
ATOM   804  C  CD2 . LEU A 1 133 ? -21.678 -28.222 -14.314 1.00 23.54  ? 121 LEU A CD2 1 
ATOM   805  N  N   . SER A 1 134 ? -26.411 -26.056 -12.886 1.00 26.78  ? 122 SER A N   1 
ATOM   806  C  CA  . SER A 1 134 ? -27.692 -26.137 -12.166 1.00 28.07  ? 122 SER A CA  1 
ATOM   807  C  C   . SER A 1 134 ? -28.507 -27.390 -12.518 1.00 43.13  ? 122 SER A C   1 
ATOM   808  O  O   . SER A 1 134 ? -29.161 -27.963 -11.657 1.00 33.05  ? 122 SER A O   1 
ATOM   809  C  CB  . SER A 1 134 ? -28.547 -24.896 -12.434 1.00 32.37  ? 122 SER A CB  1 
ATOM   810  O  OG  . SER A 1 134 ? -29.014 -24.862 -13.779 1.00 28.95  ? 122 SER A OG  1 
ATOM   811  N  N   . GLY A 1 135 ? -28.454 -27.815 -13.779 1.00 36.56  ? 123 GLY A N   1 
ATOM   812  C  CA  . GLY A 1 135 ? -29.227 -28.962 -14.230 1.00 35.45  ? 123 GLY A CA  1 
ATOM   813  C  C   . GLY A 1 135 ? -28.663 -30.324 -13.884 1.00 43.70  ? 123 GLY A C   1 
ATOM   814  O  O   . GLY A 1 135 ? -29.264 -31.353 -14.215 1.00 37.00  ? 123 GLY A O   1 
ATOM   815  N  N   . GLU A 1 136 ? -27.514 -30.331 -13.211 1.00 30.12  ? 124 GLU A N   1 
ATOM   816  C  CA  . GLU A 1 136 ? -26.889 -31.576 -12.772 1.00 42.55  ? 124 GLU A CA  1 
ATOM   817  C  C   . GLU A 1 136 ? -27.181 -31.832 -11.279 1.00 42.43  ? 124 GLU A C   1 
ATOM   818  O  O   . GLU A 1 136 ? -26.592 -32.712 -10.647 1.00 37.76  ? 124 GLU A O   1 
ATOM   819  C  CB  . GLU A 1 136 ? -25.378 -31.546 -13.056 1.00 42.62  ? 124 GLU A CB  1 
ATOM   820  C  CG  . GLU A 1 136 ? -25.010 -31.832 -14.534 1.00 38.28  ? 124 GLU A CG  1 
ATOM   821  C  CD  . GLU A 1 136 ? -25.546 -30.792 -15.525 1.00 43.32  ? 124 GLU A CD  1 
ATOM   822  O  OE1 . GLU A 1 136 ? -25.389 -29.564 -15.298 1.00 43.64  ? 124 GLU A OE1 1 
ATOM   823  O  OE2 . GLU A 1 136 ? -26.125 -31.206 -16.547 1.00 52.59  ? 124 GLU A OE2 1 
ATOM   824  N  N   . PHE A 1 137 ? -28.113 -31.054 -10.733 1.00 44.97  ? 125 PHE A N   1 
ATOM   825  C  CA  . PHE A 1 137 ? -28.710 -31.335 -9.422  1.00 46.51  ? 125 PHE A CA  1 
ATOM   826  C  C   . PHE A 1 137 ? -30.188 -31.655 -9.588  1.00 58.15  ? 125 PHE A C   1 
ATOM   827  O  O   . PHE A 1 137 ? -30.888 -30.995 -10.371 1.00 55.52  ? 125 PHE A O   1 
ATOM   828  C  CB  . PHE A 1 137 ? -28.538 -30.155 -8.467  1.00 42.69  ? 125 PHE A CB  1 
ATOM   829  C  CG  . PHE A 1 137 ? -27.115 -29.838 -8.178  1.00 36.43  ? 125 PHE A CG  1 
ATOM   830  C  CD1 . PHE A 1 137 ? -26.439 -30.509 -7.185  1.00 35.01  ? 125 PHE A CD1 1 
ATOM   831  C  CD2 . PHE A 1 137 ? -26.440 -28.890 -8.923  1.00 36.09  ? 125 PHE A CD2 1 
ATOM   832  C  CE1 . PHE A 1 137 ? -25.108 -30.228 -6.928  1.00 31.20  ? 125 PHE A CE1 1 
ATOM   833  C  CE2 . PHE A 1 137 ? -25.103 -28.609 -8.668  1.00 44.42  ? 125 PHE A CE2 1 
ATOM   834  C  CZ  . PHE A 1 137 ? -24.444 -29.278 -7.660  1.00 34.87  ? 125 PHE A CZ  1 
ATOM   835  N  N   . ASP A 1 138 ? -30.641 -32.669 -8.852  1.00 52.13  ? 126 ASP A N   1 
ATOM   836  C  CA  . ASP A 1 138 ? -32.043 -33.079 -8.828  1.00 68.91  ? 126 ASP A CA  1 
ATOM   837  C  C   . ASP A 1 138 ? -32.260 -34.249 -7.868  1.00 77.76  ? 126 ASP A C   1 
ATOM   838  O  O   . ASP A 1 138 ? -32.421 -35.396 -8.298  1.00 82.39  ? 126 ASP A O   1 
ATOM   839  C  CB  . ASP A 1 138 ? -32.525 -33.472 -10.224 1.00 75.05  ? 126 ASP A CB  1 
ATOM   840  C  CG  . ASP A 1 138 ? -34.012 -33.249 -10.400 1.00 87.60  ? 126 ASP A CG  1 
ATOM   841  O  OD1 . ASP A 1 138 ? -34.396 -32.121 -10.782 1.00 85.59  ? 126 ASP A OD1 1 
ATOM   842  O  OD2 . ASP A 1 138 ? -34.796 -34.193 -10.144 1.00 90.09  ? 126 ASP A OD2 1 
ATOM   843  N  N   . ASP A 1 150 ? -24.800 -35.668 -13.373 1.00 39.72  ? 138 ASP A N   1 
ATOM   844  C  CA  . ASP A 1 150 ? -25.112 -35.437 -11.963 1.00 51.27  ? 138 ASP A CA  1 
ATOM   845  C  C   . ASP A 1 150 ? -23.870 -35.031 -11.166 1.00 51.74  ? 138 ASP A C   1 
ATOM   846  O  O   . ASP A 1 150 ? -22.851 -35.746 -11.138 1.00 45.67  ? 138 ASP A O   1 
ATOM   847  C  CB  . ASP A 1 150 ? -25.759 -36.675 -11.341 1.00 58.41  ? 138 ASP A CB  1 
ATOM   848  C  CG  . ASP A 1 150 ? -25.915 -36.561 -9.824  1.00 47.35  ? 138 ASP A CG  1 
ATOM   849  O  OD1 . ASP A 1 150 ? -24.913 -36.801 -9.113  1.00 39.00  ? 138 ASP A OD1 1 
ATOM   850  O  OD2 . ASP A 1 150 ? -27.036 -36.261 -9.346  1.00 48.22  ? 138 ASP A OD2 1 
ATOM   851  N  N   . MET A 1 151 ? -23.979 -33.886 -10.499 1.00 39.03  ? 139 MET A N   1 
ATOM   852  C  CA  . MET A 1 151 ? -22.843 -33.273 -9.837  1.00 39.50  ? 139 MET A CA  1 
ATOM   853  C  C   . MET A 1 151 ? -22.285 -34.064 -8.654  1.00 31.13  ? 139 MET A C   1 
ATOM   854  O  O   . MET A 1 151 ? -21.067 -34.115 -8.513  1.00 30.56  ? 139 MET A O   1 
ATOM   855  C  CB  . MET A 1 151 ? -23.203 -31.857 -9.386  1.00 41.65  ? 139 MET A CB  1 
ATOM   856  C  CG  . MET A 1 151 ? -22.672 -30.774 -10.313 1.00 55.06  ? 139 MET A CG  1 
ATOM   857  S  SD  . MET A 1 151 ? -20.856 -30.581 -10.234 1.00 54.91  ? 139 MET A SD  1 
ATOM   858  C  CE  . MET A 1 151 ? -20.658 -29.328 -8.968  1.00 47.85  ? 139 MET A CE  1 
ATOM   859  N  N   . HIS A 1 152 ? -23.125 -34.681 -7.814  1.00 22.76  ? 140 HIS A N   1 
ATOM   860  C  CA  . HIS A 1 152 ? -22.558 -35.381 -6.665  1.00 24.22  ? 140 HIS A CA  1 
ATOM   861  C  C   . HIS A 1 152 ? -21.743 -36.553 -7.118  1.00 19.96  ? 140 HIS A C   1 
ATOM   862  O  O   . HIS A 1 152 ? -20.644 -36.771 -6.599  1.00 24.73  ? 140 HIS A O   1 
ATOM   863  C  CB  . HIS A 1 152 ? -23.619 -35.871 -5.687  1.00 32.84  ? 140 HIS A CB  1 
ATOM   864  C  CG  . HIS A 1 152 ? -24.185 -34.788 -4.838  1.00 27.86  ? 140 HIS A CG  1 
ATOM   865  N  ND1 . HIS A 1 152 ? -25.446 -34.277 -5.041  1.00 34.28  ? 140 HIS A ND1 1 
ATOM   866  C  CD2 . HIS A 1 152 ? -23.643 -34.071 -3.826  1.00 27.69  ? 140 HIS A CD2 1 
ATOM   867  C  CE1 . HIS A 1 152 ? -25.678 -33.322 -4.159  1.00 40.50  ? 140 HIS A CE1 1 
ATOM   868  N  NE2 . HIS A 1 152 ? -24.599 -33.175 -3.413  1.00 30.71  ? 140 HIS A NE2 1 
ATOM   869  N  N   . LYS A 1 153 ? -22.243 -37.283 -8.117  1.00 23.75  ? 141 LYS A N   1 
ATOM   870  C  CA  . LYS A 1 153 ? -21.495 -38.430 -8.616  1.00 25.52  ? 141 LYS A CA  1 
ATOM   871  C  C   . LYS A 1 153 ? -20.144 -37.935 -9.168  1.00 21.69  ? 141 LYS A C   1 
ATOM   872  O  O   . LYS A 1 153 ? -19.101 -38.563 -8.967  1.00 32.71  ? 141 LYS A O   1 
ATOM   873  C  CB  . LYS A 1 153 ? -22.308 -39.190 -9.681  1.00 33.04  ? 141 LYS A CB  1 
ATOM   874  N  N   . SER A 1 154 ? -20.169 -36.791 -9.836  1.00 22.86  ? 142 SER A N   1 
ATOM   875  C  CA  . SER A 1 154 ? -18.947 -36.165 -10.348 1.00 23.43  ? 142 SER A CA  1 
ATOM   876  C  C   . SER A 1 154 ? -17.936 -35.779 -9.285  1.00 21.63  ? 142 SER A C   1 
ATOM   877  O  O   . SER A 1 154 ? -16.738 -36.117 -9.394  1.00 20.85  ? 142 SER A O   1 
ATOM   878  C  CB  . SER A 1 154 ? -19.294 -34.919 -11.162 1.00 25.17  ? 142 SER A CB  1 
ATOM   879  O  OG  . SER A 1 154 ? -19.874 -35.316 -12.384 1.00 21.65  ? 142 SER A OG  1 
ATOM   880  N  N   . VAL A 1 155 ? -18.405 -35.070 -8.263  1.00 26.46  ? 143 VAL A N   1 
ATOM   881  C  CA  . VAL A 1 155 ? -17.534 -34.666 -7.152  1.00 19.74  ? 143 VAL A CA  1 
ATOM   882  C  C   . VAL A 1 155 ? -17.035 -35.876 -6.363  1.00 23.59  ? 143 VAL A C   1 
ATOM   883  O  O   . VAL A 1 155 ? -15.840 -35.979 -6.078  1.00 24.55  ? 143 VAL A O   1 
ATOM   884  C  CB  . VAL A 1 155 ? -18.260 -33.703 -6.221  1.00 21.65  ? 143 VAL A CB  1 
ATOM   885  C  CG1 . VAL A 1 155 ? -17.329 -33.247 -5.083  1.00 27.78  ? 143 VAL A CG1 1 
ATOM   886  C  CG2 . VAL A 1 155 ? -18.768 -32.502 -7.005  1.00 20.71  ? 143 VAL A CG2 1 
ATOM   887  N  N   . ARG A 1 156 ? -17.926 -36.807 -6.027  1.00 18.75  ? 144 ARG A N   1 
ATOM   888  C  CA  . ARG A 1 156 ? -17.475 -37.999 -5.333  1.00 18.76  ? 144 ARG A CA  1 
ATOM   889  C  C   . ARG A 1 156 ? -16.483 -38.798 -6.171  1.00 20.33  ? 144 ARG A C   1 
ATOM   890  O  O   . ARG A 1 156 ? -15.511 -39.342 -5.630  1.00 25.28  ? 144 ARG A O   1 
ATOM   891  C  CB  . ARG A 1 156 ? -18.670 -38.877 -4.931  1.00 34.41  ? 144 ARG A CB  1 
ATOM   892  C  CG  . ARG A 1 156 ? -18.248 -40.238 -4.318  1.00 43.34  ? 144 ARG A CG  1 
ATOM   893  C  CD  . ARG A 1 156 ? -19.345 -40.909 -3.466  1.00 63.00  ? 144 ARG A CD  1 
ATOM   894  N  NE  . ARG A 1 156 ? -18.887 -41.182 -2.100  1.00 67.45  ? 144 ARG A NE  1 
ATOM   895  C  CZ  . ARG A 1 156 ? -19.260 -40.489 -1.025  1.00 71.24  ? 144 ARG A CZ  1 
ATOM   896  N  NH1 . ARG A 1 156 ? -20.123 -39.480 -1.141  1.00 71.97  ? 144 ARG A NH1 1 
ATOM   897  N  NH2 . ARG A 1 156 ? -18.777 -40.809 0.172   1.00 72.56  ? 144 ARG A NH2 1 
ATOM   898  N  N   . GLY A 1 157 ? -16.688 -38.822 -7.492  1.00 22.10  ? 145 GLY A N   1 
ATOM   899  C  CA  . GLY A 1 157 ? -15.796 -39.565 -8.367  1.00 21.48  ? 145 GLY A CA  1 
ATOM   900  C  C   . GLY A 1 157 ? -14.422 -38.977 -8.238  1.00 11.84  ? 145 GLY A C   1 
ATOM   901  O  O   . GLY A 1 157 ? -13.383 -39.653 -8.054  1.00 18.01  ? 145 GLY A O   1 
ATOM   902  N  N   . LEU A 1 158 ? -14.405 -37.652 -8.297  1.00 19.37  ? 146 LEU A N   1 
ATOM   903  C  CA  . LEU A 1 158 ? -13.162 -36.934 -8.274  1.00 21.42  ? 146 LEU A CA  1 
ATOM   904  C  C   . LEU A 1 158 ? -12.339 -37.289 -7.030  1.00 23.91  ? 146 LEU A C   1 
ATOM   905  O  O   . LEU A 1 158 ? -11.129 -37.513 -7.074  1.00 25.42  ? 146 LEU A O   1 
ATOM   906  C  CB  . LEU A 1 158 ? -13.453 -35.426 -8.339  1.00 20.51  ? 146 LEU A CB  1 
ATOM   907  C  CG  . LEU A 1 158 ? -13.652 -34.865 -9.750  1.00 24.67  ? 146 LEU A CG  1 
ATOM   908  C  CD1 . LEU A 1 158 ? -13.957 -33.378 -9.686  1.00 25.53  ? 146 LEU A CD1 1 
ATOM   909  C  CD2 . LEU A 1 158 ? -12.432 -35.093 -10.591 1.00 19.27  ? 146 LEU A CD2 1 
ATOM   910  N  N   . MET A 1 159 ? -13.029 -37.362 -5.913  1.00 21.95  ? 147 MET A N   1 
ATOM   911  C  CA  . MET A 1 159 ? -12.390 -37.620 -4.637  1.00 22.62  ? 147 MET A CA  1 
ATOM   912  C  C   . MET A 1 159 ? -11.822 -39.019 -4.538  1.00 29.52  ? 147 MET A C   1 
ATOM   913  O  O   . MET A 1 159 ? -10.910 -39.268 -3.733  1.00 27.91  ? 147 MET A O   1 
ATOM   914  C  CB  . MET A 1 159 ? -13.400 -37.364 -3.522  1.00 20.24  ? 147 MET A CB  1 
ATOM   915  C  CG  . MET A 1 159 ? -13.874 -35.933 -3.586  1.00 35.02  ? 147 MET A CG  1 
ATOM   916  S  SD  . MET A 1 159 ? -15.199 -35.567 -2.456  1.00 36.55  ? 147 MET A SD  1 
ATOM   917  C  CE  . MET A 1 159 ? -14.324 -35.915 -0.936  1.00 41.43  ? 147 MET A CE  1 
ATOM   918  N  N   . LYS A 1 160 ? -12.330 -39.932 -5.371  1.00 29.53  ? 148 LYS A N   1 
ATOM   919  C  CA  . LYS A 1 160 ? -11.825 -41.298 -5.318  1.00 25.64  ? 148 LYS A CA  1 
ATOM   920  C  C   . LYS A 1 160 ? -11.017 -41.636 -6.580  1.00 25.90  ? 148 LYS A C   1 
ATOM   921  O  O   . LYS A 1 160 ? -10.830 -42.800 -6.952  1.00 22.58  ? 148 LYS A O   1 
ATOM   922  C  CB  . LYS A 1 160 ? -12.966 -42.275 -5.085  1.00 24.97  ? 148 LYS A CB  1 
ATOM   923  C  CG  . LYS A 1 160 ? -14.099 -42.122 -6.020  1.00 29.38  ? 148 LYS A CG  1 
ATOM   924  C  CD  . LYS A 1 160 ? -15.389 -42.507 -5.351  1.00 36.58  ? 148 LYS A CD  1 
ATOM   925  C  CE  . LYS A 1 160 ? -15.440 -43.987 -5.199  1.00 38.01  ? 148 LYS A CE  1 
ATOM   926  N  NZ  . LYS A 1 160 ? -16.838 -44.448 -5.342  1.00 53.26  ? 148 LYS A NZ  1 
ATOM   927  N  N   . GLY A 1 161 ? -10.457 -40.606 -7.198  1.00 23.81  ? 149 GLY A N   1 
ATOM   928  C  CA  . GLY A 1 161 ? -9.535  -40.852 -8.291  1.00 19.57  ? 149 GLY A CA  1 
ATOM   929  C  C   . GLY A 1 161 ? -10.204 -41.024 -9.638  1.00 20.84  ? 149 GLY A C   1 
ATOM   930  O  O   . GLY A 1 161 ? -9.556  -41.492 -10.574 1.00 23.50  ? 149 GLY A O   1 
ATOM   931  N  N   . ASN A 1 162 ? -11.480 -40.668 -9.726  1.00 19.16  ? 150 ASN A N   1 
ATOM   932  C  CA  . ASN A 1 162 ? -12.255 -40.893 -10.950 1.00 17.89  ? 150 ASN A CA  1 
ATOM   933  C  C   . ASN A 1 162 ? -12.883 -39.625 -11.540 1.00 16.53  ? 150 ASN A C   1 
ATOM   934  O  O   . ASN A 1 162 ? -13.938 -39.202 -11.063 1.00 15.75  ? 150 ASN A O   1 
ATOM   935  C  CB  . ASN A 1 162 ? -13.376 -41.891 -10.700 1.00 16.03  ? 150 ASN A CB  1 
ATOM   936  C  CG  . ASN A 1 162 ? -14.034 -42.360 -11.977 1.00 23.48  ? 150 ASN A CG  1 
ATOM   937  O  OD1 . ASN A 1 162 ? -13.761 -41.822 -13.065 1.00 15.14  ? 150 ASN A OD1 1 
ATOM   938  N  ND2 . ASN A 1 162 ? -14.889 -43.404 -11.871 1.00 13.54  ? 150 ASN A ND2 1 
ATOM   939  N  N   . PRO A 1 163 ? -12.283 -39.074 -12.614 1.00 17.12  ? 151 PRO A N   1 
ATOM   940  C  CA  . PRO A 1 163 ? -12.807 -37.860 -13.279 1.00 14.50  ? 151 PRO A CA  1 
ATOM   941  C  C   . PRO A 1 163 ? -13.929 -38.121 -14.278 1.00 14.11  ? 151 PRO A C   1 
ATOM   942  O  O   . PRO A 1 163 ? -14.499 -37.183 -14.830 1.00 14.31  ? 151 PRO A O   1 
ATOM   943  C  CB  . PRO A 1 163 ? -11.572 -37.339 -14.029 1.00 12.94  ? 151 PRO A CB  1 
ATOM   944  C  CG  . PRO A 1 163 ? -10.912 -38.650 -14.494 1.00 15.97  ? 151 PRO A CG  1 
ATOM   945  C  CD  . PRO A 1 163 ? -11.018 -39.530 -13.228 1.00 15.99  ? 151 PRO A CD  1 
ATOM   946  N  N   . ASP A 1 164 ? -14.268 -39.394 -14.500 1.00 11.70  ? 152 ASP A N   1 
ATOM   947  C  CA  . ASP A 1 164 ? -15.072 -39.741 -15.660 1.00 14.95  ? 152 ASP A CA  1 
ATOM   948  C  C   . ASP A 1 164 ? -16.455 -39.077 -15.626 1.00 12.43  ? 152 ASP A C   1 
ATOM   949  O  O   . ASP A 1 164 ? -16.879 -38.478 -16.625 1.00 13.42  ? 152 ASP A O   1 
ATOM   950  C  CB  . ASP A 1 164 ? -15.210 -41.278 -15.812 1.00 16.16  ? 152 ASP A CB  1 
ATOM   951  C  CG  . ASP A 1 164 ? -13.899 -41.964 -16.240 1.00 15.78  ? 152 ASP A CG  1 
ATOM   952  O  OD1 . ASP A 1 164 ? -12.948 -41.256 -16.633 1.00 14.11  ? 152 ASP A OD1 1 
ATOM   953  O  OD2 . ASP A 1 164 ? -13.816 -43.237 -16.189 1.00 15.61  ? 152 ASP A OD2 1 
ATOM   954  N  N   . PRO A 1 165 ? -17.172 -39.167 -14.497 1.00 14.18  ? 153 PRO A N   1 
ATOM   955  C  CA  . PRO A 1 165 ? -18.497 -38.514 -14.494 1.00 15.27  ? 153 PRO A CA  1 
ATOM   956  C  C   . PRO A 1 165 ? -18.427 -36.965 -14.657 1.00 9.84   ? 153 PRO A C   1 
ATOM   957  O  O   . PRO A 1 165 ? -19.275 -36.382 -15.334 1.00 14.78  ? 153 PRO A O   1 
ATOM   958  C  CB  . PRO A 1 165 ? -19.075 -38.883 -13.125 1.00 17.75  ? 153 PRO A CB  1 
ATOM   959  C  CG  . PRO A 1 165 ? -18.204 -39.934 -12.561 1.00 18.45  ? 153 PRO A CG  1 
ATOM   960  C  CD  . PRO A 1 165 ? -16.919 -39.961 -13.274 1.00 13.29  ? 153 PRO A CD  1 
ATOM   961  N  N   . MET A 1 166 ? -17.426 -36.316 -14.072 1.00 14.66  ? 154 MET A N   1 
ATOM   962  C  CA  . MET A 1 166 ? -17.223 -34.866 -14.284 1.00 15.74  ? 154 MET A CA  1 
ATOM   963  C  C   . MET A 1 166 ? -16.969 -34.550 -15.782 1.00 15.32  ? 154 MET A C   1 
ATOM   964  O  O   . MET A 1 166 ? -17.612 -33.674 -16.375 1.00 18.18  ? 154 MET A O   1 
ATOM   965  C  CB  . MET A 1 166 ? -16.074 -34.341 -13.413 1.00 17.00  ? 154 MET A CB  1 
ATOM   966  C  CG  . MET A 1 166 ? -15.917 -32.806 -13.499 1.00 21.63  ? 154 MET A CG  1 
ATOM   967  S  SD  . MET A 1 166 ? -17.384 -31.910 -12.896 1.00 25.63  ? 154 MET A SD  1 
ATOM   968  C  CE  . MET A 1 166 ? -17.062 -32.016 -11.159 1.00 33.22  ? 154 MET A CE  1 
ATOM   969  N  N   . LEU A 1 167 ? -16.110 -35.345 -16.399 1.00 10.80  ? 155 LEU A N   1 
ATOM   970  C  CA  . LEU A 1 167 ? -15.800 -35.222 -17.805 1.00 11.04  ? 155 LEU A CA  1 
ATOM   971  C  C   . LEU A 1 167 ? -17.053 -35.428 -18.646 1.00 14.09  ? 155 LEU A C   1 
ATOM   972  O  O   . LEU A 1 167 ? -17.246 -34.720 -19.607 1.00 14.13  ? 155 LEU A O   1 
ATOM   973  C  CB  . LEU A 1 167 ? -14.673 -36.209 -18.173 1.00 12.29  ? 155 LEU A CB  1 
ATOM   974  C  CG  . LEU A 1 167 ? -13.344 -35.823 -17.578 1.00 13.44  ? 155 LEU A CG  1 
ATOM   975  C  CD1 . LEU A 1 167 ? -12.303 -36.915 -17.705 1.00 15.31  ? 155 LEU A CD1 1 
ATOM   976  C  CD2 . LEU A 1 167 ? -12.807 -34.477 -18.114 1.00 11.98  ? 155 LEU A CD2 1 
ATOM   977  N  N   . GLU A 1 168 ? -17.949 -36.356 -18.280 1.00 14.40  ? 156 GLU A N   1 
ATOM   978  C  CA  . GLU A 1 168 ? -19.183 -36.532 -19.073 1.00 15.19  ? 156 GLU A CA  1 
ATOM   979  C  C   . GLU A 1 168 ? -20.117 -35.328 -18.961 1.00 17.48  ? 156 GLU A C   1 
ATOM   980  O  O   . GLU A 1 168 ? -20.800 -34.977 -19.912 1.00 13.91  ? 156 GLU A O   1 
ATOM   981  C  CB  . GLU A 1 168 ? -19.943 -37.798 -18.667 1.00 16.51  ? 156 GLU A CB  1 
ATOM   982  C  CG  . GLU A 1 168 ? -19.191 -39.099 -19.024 1.00 13.47  ? 156 GLU A CG  1 
ATOM   983  C  CD  . GLU A 1 168 ? -18.955 -39.248 -20.564 1.00 13.45  ? 156 GLU A CD  1 
ATOM   984  O  OE1 . GLU A 1 168 ? -19.828 -38.859 -21.363 1.00 16.52  ? 156 GLU A OE1 1 
ATOM   985  O  OE2 . GLU A 1 168 ? -17.902 -39.771 -20.920 1.00 17.79  ? 156 GLU A OE2 1 
ATOM   986  N  N   . VAL A 1 169 ? -20.156 -34.716 -17.795 1.00 14.79  ? 157 VAL A N   1 
ATOM   987  C  CA  . VAL A 1 169 ? -20.975 -33.518 -17.631 1.00 19.09  ? 157 VAL A CA  1 
ATOM   988  C  C   . VAL A 1 169 ? -20.404 -32.431 -18.546 1.00 15.00  ? 157 VAL A C   1 
ATOM   989  O  O   . VAL A 1 169 ? -21.139 -31.771 -19.245 1.00 18.43  ? 157 VAL A O   1 
ATOM   990  C  CB  . VAL A 1 169 ? -21.010 -33.075 -16.161 1.00 20.94  ? 157 VAL A CB  1 
ATOM   991  C  CG1 . VAL A 1 169 ? -21.307 -31.565 -16.019 1.00 21.84  ? 157 VAL A CG1 1 
ATOM   992  C  CG2 . VAL A 1 169 ? -22.070 -33.880 -15.418 1.00 26.67  ? 157 VAL A CG2 1 
ATOM   993  N  N   . MET A 1 170 ? -19.085 -32.273 -18.552 1.00 16.00  ? 158 MET A N   1 
ATOM   994  C  CA  . MET A 1 170 ? -18.455 -31.233 -19.357 1.00 16.07  ? 158 MET A CA  1 
ATOM   995  C  C   . MET A 1 170 ? -18.667 -31.501 -20.836 1.00 17.36  ? 158 MET A C   1 
ATOM   996  O  O   . MET A 1 170 ? -19.009 -30.596 -21.608 1.00 18.11  ? 158 MET A O   1 
ATOM   997  C  CB  . MET A 1 170 ? -16.973 -31.113 -19.019 1.00 13.21  ? 158 MET A CB  1 
ATOM   998  C  CG  . MET A 1 170 ? -16.831 -30.460 -17.664 1.00 14.97  ? 158 MET A CG  1 
ATOM   999  S  SD  . MET A 1 170 ? -15.183 -30.459 -17.142 1.00 19.63  ? 158 MET A SD  1 
ATOM   1000 C  CE  . MET A 1 170 ? -15.433 -29.524 -15.594 1.00 18.84  ? 158 MET A CE  1 
ATOM   1001 N  N   . LYS A 1 171 ? -18.528 -32.753 -21.236 1.00 17.40  ? 159 LYS A N   1 
ATOM   1002 C  CA  . LYS A 1 171 ? -18.706 -33.098 -22.651 1.00 14.17  ? 159 LYS A CA  1 
ATOM   1003 C  C   . LYS A 1 171 ? -20.112 -32.841 -23.122 1.00 21.84  ? 159 LYS A C   1 
ATOM   1004 O  O   . LYS A 1 171 ? -20.311 -32.349 -24.242 1.00 23.60  ? 159 LYS A O   1 
ATOM   1005 C  CB  . LYS A 1 171 ? -18.325 -34.568 -22.905 1.00 14.72  ? 159 LYS A CB  1 
ATOM   1006 C  CG  . LYS A 1 171 ? -16.822 -34.755 -22.915 1.00 18.09  ? 159 LYS A CG  1 
ATOM   1007 C  CD  . LYS A 1 171 ? -16.434 -36.145 -23.383 1.00 26.10  ? 159 LYS A CD  1 
ATOM   1008 C  CE  . LYS A 1 171 ? -16.792 -37.183 -22.361 1.00 27.85  ? 159 LYS A CE  1 
ATOM   1009 N  NZ  . LYS A 1 171 ? -16.298 -38.534 -22.822 1.00 31.28  ? 159 LYS A NZ  1 
ATOM   1010 N  N   . ALA A 1 172 ? -21.087 -33.117 -22.261 1.00 18.18  ? 160 ALA A N   1 
ATOM   1011 C  CA  . ALA A 1 172 ? -22.471 -32.905 -22.627 1.00 21.29  ? 160 ALA A CA  1 
ATOM   1012 C  C   . ALA A 1 172 ? -22.802 -31.414 -22.800 1.00 26.13  ? 160 ALA A C   1 
ATOM   1013 O  O   . ALA A 1 172 ? -23.789 -31.084 -23.418 1.00 22.18  ? 160 ALA A O   1 
ATOM   1014 C  CB  . ALA A 1 172 ? -23.400 -33.550 -21.602 1.00 25.81  ? 160 ALA A CB  1 
ATOM   1015 N  N   . LYS A 1 173 ? -21.975 -30.524 -22.273 1.00 21.59  ? 161 LYS A N   1 
ATOM   1016 C  CA  . LYS A 1 173 ? -22.140 -29.088 -22.528 1.00 28.68  ? 161 LYS A CA  1 
ATOM   1017 C  C   . LYS A 1 173 ? -21.402 -28.605 -23.782 1.00 27.19  ? 161 LYS A C   1 
ATOM   1018 O  O   . LYS A 1 173 ? -21.452 -27.426 -24.134 1.00 33.42  ? 161 LYS A O   1 
ATOM   1019 C  CB  . LYS A 1 173 ? -21.684 -28.293 -21.310 1.00 20.48  ? 161 LYS A CB  1 
ATOM   1020 C  CG  . LYS A 1 173 ? -22.792 -28.181 -20.324 1.00 31.57  ? 161 LYS A CG  1 
ATOM   1021 C  CD  . LYS A 1 173 ? -22.342 -28.300 -18.908 1.00 31.36  ? 161 LYS A CD  1 
ATOM   1022 C  CE  . LYS A 1 173 ? -23.577 -28.388 -18.013 1.00 32.14  ? 161 LYS A CE  1 
ATOM   1023 N  NZ  . LYS A 1 173 ? -24.822 -27.829 -18.631 1.00 46.00  ? 161 LYS A NZ  1 
ATOM   1024 N  N   . GLY A 1 174 ? -20.705 -29.505 -24.453 1.00 25.57  ? 162 GLY A N   1 
ATOM   1025 C  CA  . GLY A 1 174 ? -20.017 -29.137 -25.675 1.00 29.69  ? 162 GLY A CA  1 
ATOM   1026 C  C   . GLY A 1 174 ? -18.566 -28.796 -25.439 1.00 31.28  ? 162 GLY A C   1 
ATOM   1027 O  O   . GLY A 1 174 ? -17.849 -28.357 -26.331 1.00 29.82  ? 162 GLY A O   1 
ATOM   1028 N  N   . ILE A 1 175 ? -18.107 -29.009 -24.221 1.00 19.63  ? 163 ILE A N   1 
ATOM   1029 C  CA  . ILE A 1 175 ? -16.712 -28.746 -23.949 1.00 11.99  ? 163 ILE A CA  1 
ATOM   1030 C  C   . ILE A 1 175 ? -15.837 -29.934 -24.413 1.00 19.47  ? 163 ILE A C   1 
ATOM   1031 O  O   . ILE A 1 175 ? -16.124 -31.115 -24.124 1.00 18.62  ? 163 ILE A O   1 
ATOM   1032 C  CB  . ILE A 1 175 ? -16.486 -28.478 -22.457 1.00 15.37  ? 163 ILE A CB  1 
ATOM   1033 C  CG1 . ILE A 1 175 ? -17.363 -27.285 -21.996 1.00 16.98  ? 163 ILE A CG1 1 
ATOM   1034 C  CG2 . ILE A 1 175 ? -15.031 -28.233 -22.185 1.00 15.57  ? 163 ILE A CG2 1 
ATOM   1035 C  CD1 . ILE A 1 175 ? -17.482 -27.170 -20.518 1.00 14.58  ? 163 ILE A CD1 1 
ATOM   1036 N  N   . ASN A 1 176 ? -14.777 -29.592 -25.114 1.00 18.54  ? 164 ASN A N   1 
ATOM   1037 C  CA  . ASN A 1 176 ? -13.802 -30.559 -25.573 1.00 21.00  ? 164 ASN A CA  1 
ATOM   1038 C  C   . ASN A 1 176 ? -12.799 -30.844 -24.485 1.00 15.49  ? 164 ASN A C   1 
ATOM   1039 O  O   . ASN A 1 176 ? -11.976 -29.973 -24.144 1.00 18.94  ? 164 ASN A O   1 
ATOM   1040 C  CB  . ASN A 1 176 ? -13.098 -30.034 -26.815 1.00 16.55  ? 164 ASN A CB  1 
ATOM   1041 C  CG  . ASN A 1 176 ? -12.184 -31.079 -27.448 1.00 21.37  ? 164 ASN A CG  1 
ATOM   1042 O  OD1 . ASN A 1 176 ? -11.294 -31.628 -26.809 1.00 17.51  ? 164 ASN A OD1 1 
ATOM   1043 N  ND2 . ASN A 1 176 ? -12.430 -31.371 -28.709 1.00 30.67  ? 164 ASN A ND2 1 
ATOM   1044 N  N   . VAL A 1 177 ? -12.836 -32.061 -23.927 1.00 12.24  ? 165 VAL A N   1 
ATOM   1045 C  CA  . VAL A 1 177 ? -11.961 -32.348 -22.803 1.00 13.48  ? 165 VAL A CA  1 
ATOM   1046 C  C   . VAL A 1 177 ? -10.651 -33.042 -23.177 1.00 16.84  ? 165 VAL A C   1 
ATOM   1047 O  O   . VAL A 1 177 ? -9.880  -33.383 -22.282 1.00 13.96  ? 165 VAL A O   1 
ATOM   1048 C  CB  . VAL A 1 177 ? -12.686 -33.207 -21.740 1.00 14.97  ? 165 VAL A CB  1 
ATOM   1049 C  CG1 . VAL A 1 177 ? -13.968 -32.513 -21.362 1.00 11.50  ? 165 VAL A CG1 1 
ATOM   1050 C  CG2 . VAL A 1 177 ? -13.028 -34.615 -22.293 1.00 12.62  ? 165 VAL A CG2 1 
ATOM   1051 N  N   . ASP A 1 178 ? -10.436 -33.304 -24.476 1.00 15.06  ? 166 ASP A N   1 
ATOM   1052 C  CA  . ASP A 1 178 ? -9.212  -33.994 -24.962 1.00 17.57  ? 166 ASP A CA  1 
ATOM   1053 C  C   . ASP A 1 178 ? -8.242  -33.114 -25.774 1.00 23.87  ? 166 ASP A C   1 
ATOM   1054 O  O   . ASP A 1 178 ? -7.491  -33.621 -26.618 1.00 17.21  ? 166 ASP A O   1 
ATOM   1055 C  CB  . ASP A 1 178 ? -9.620  -35.202 -25.837 1.00 13.69  ? 166 ASP A CB  1 
ATOM   1056 C  CG  . ASP A 1 178 ? -10.416 -36.229 -25.056 1.00 17.98  ? 166 ASP A CG  1 
ATOM   1057 O  OD1 . ASP A 1 178 ? -9.907  -36.751 -24.035 1.00 22.53  ? 166 ASP A OD1 1 
ATOM   1058 O  OD2 . ASP A 1 178 ? -11.560 -36.501 -25.464 1.00 25.92  ? 166 ASP A OD2 1 
ATOM   1059 N  N   . THR A 1 179 ? -8.290  -31.807 -25.536 1.00 18.10  ? 167 THR A N   1 
ATOM   1060 C  CA  . THR A 1 179 ? -7.457  -30.797 -26.242 1.00 15.64  ? 167 THR A CA  1 
ATOM   1061 C  C   . THR A 1 179 ? -6.616  -30.096 -25.215 1.00 20.22  ? 167 THR A C   1 
ATOM   1062 O  O   . THR A 1 179 ? -7.135  -29.713 -24.145 1.00 16.39  ? 167 THR A O   1 
ATOM   1063 C  CB  . THR A 1 179 ? -8.310  -29.749 -26.957 1.00 17.49  ? 167 THR A CB  1 
ATOM   1064 O  OG1 . THR A 1 179 ? -9.138  -30.415 -27.909 1.00 20.42  ? 167 THR A OG1 1 
ATOM   1065 C  CG2 . THR A 1 179 ? -7.455  -28.684 -27.640 1.00 17.00  ? 167 THR A CG2 1 
ATOM   1066 N  N   . ALA A 1 180 ? -5.325  -29.938 -25.478 1.00 18.05  ? 168 ALA A N   1 
ATOM   1067 C  CA  . ALA A 1 180 ? -4.504  -29.217 -24.528 1.00 14.67  ? 168 ALA A CA  1 
ATOM   1068 C  C   . ALA A 1 180 ? -5.042  -27.794 -24.355 1.00 14.46  ? 168 ALA A C   1 
ATOM   1069 O  O   . ALA A 1 180 ? -5.526  -27.201 -25.316 1.00 19.25  ? 168 ALA A O   1 
ATOM   1070 C  CB  . ALA A 1 180 ? -3.021  -29.190 -24.977 1.00 15.72  ? 168 ALA A CB  1 
ATOM   1071 N  N   . PHE A 1 181 ? -4.938  -27.277 -23.129 1.00 15.71  ? 169 PHE A N   1 
ATOM   1072 C  CA  . PHE A 1 181 ? -5.412  -25.934 -22.786 1.00 16.56  ? 169 PHE A CA  1 
ATOM   1073 C  C   . PHE A 1 181 ? -4.841  -24.892 -23.744 1.00 15.01  ? 169 PHE A C   1 
ATOM   1074 O  O   . PHE A 1 181 ? -5.584  -24.054 -24.223 1.00 17.86  ? 169 PHE A O   1 
ATOM   1075 C  CB  . PHE A 1 181 ? -5.058  -25.586 -21.317 1.00 16.14  ? 169 PHE A CB  1 
ATOM   1076 C  CG  . PHE A 1 181 ? -5.945  -26.249 -20.326 1.00 15.14  ? 169 PHE A CG  1 
ATOM   1077 C  CD1 . PHE A 1 181 ? -7.322  -25.947 -20.308 1.00 14.98  ? 169 PHE A CD1 1 
ATOM   1078 C  CD2 . PHE A 1 181 ? -5.476  -27.224 -19.496 1.00 17.65  ? 169 PHE A CD2 1 
ATOM   1079 C  CE1 . PHE A 1 181 ? -8.165  -26.596 -19.405 1.00 12.01  ? 169 PHE A CE1 1 
ATOM   1080 C  CE2 . PHE A 1 181 ? -6.341  -27.878 -18.574 1.00 12.74  ? 169 PHE A CE2 1 
ATOM   1081 C  CZ  . PHE A 1 181 ? -7.668  -27.554 -18.559 1.00 13.66  ? 169 PHE A CZ  1 
ATOM   1082 N  N   . LYS A 1 182 ? -3.549  -24.982 -24.056 1.00 20.27  ? 170 LYS A N   1 
ATOM   1083 C  CA  . LYS A 1 182 ? -2.926  -24.062 -25.022 1.00 19.76  ? 170 LYS A CA  1 
ATOM   1084 C  C   . LYS A 1 182 ? -3.600  -24.032 -26.392 1.00 22.53  ? 170 LYS A C   1 
ATOM   1085 O  O   . LYS A 1 182 ? -3.602  -22.991 -27.046 1.00 24.52  ? 170 LYS A O   1 
ATOM   1086 C  CB  . LYS A 1 182 ? -1.434  -24.401 -25.170 1.00 21.25  ? 170 LYS A CB  1 
ATOM   1087 C  CG  . LYS A 1 182 ? -1.113  -25.727 -25.866 1.00 16.02  ? 170 LYS A CG  1 
ATOM   1088 C  CD  . LYS A 1 182 ? 0.346   -26.063 -25.643 1.00 21.07  ? 170 LYS A CD  1 
ATOM   1089 C  CE  . LYS A 1 182 ? 0.744   -27.306 -26.475 1.00 37.06  ? 170 LYS A CE  1 
ATOM   1090 N  NZ  . LYS A 1 182 ? 2.114   -27.837 -26.130 1.00 41.59  ? 170 LYS A NZ  1 
ATOM   1091 N  N   . ASP A 1 183 ? -4.210  -25.149 -26.814 1.00 19.53  ? 171 ASP A N   1 
ATOM   1092 C  CA  . ASP A 1 183 ? -4.878  -25.252 -28.116 1.00 19.73  ? 171 ASP A CA  1 
ATOM   1093 C  C   . ASP A 1 183 ? -6.364  -25.170 -27.990 1.00 18.86  ? 171 ASP A C   1 
ATOM   1094 O  O   . ASP A 1 183 ? -7.079  -25.048 -28.957 1.00 18.86  ? 171 ASP A O   1 
ATOM   1095 C  CB  . ASP A 1 183 ? -4.509  -26.577 -28.830 1.00 23.43  ? 171 ASP A CB  1 
ATOM   1096 C  CG  . ASP A 1 183 ? -3.009  -26.736 -28.995 1.00 24.48  ? 171 ASP A CG  1 
ATOM   1097 O  OD1 . ASP A 1 183 ? -2.376  -25.719 -29.318 1.00 24.32  ? 171 ASP A OD1 1 
ATOM   1098 O  OD2 . ASP A 1 183 ? -2.457  -27.828 -28.722 1.00 30.18  ? 171 ASP A OD2 1 
ATOM   1099 N  N   . LEU A 1 184 ? -6.862  -25.204 -26.774 1.00 18.91  ? 172 LEU A N   1 
ATOM   1100 C  CA  . LEU A 1 184 ? -8.303  -25.202 -26.603 1.00 13.27  ? 172 LEU A CA  1 
ATOM   1101 C  C   . LEU A 1 184 ? -8.873  -23.799 -26.785 1.00 17.84  ? 172 LEU A C   1 
ATOM   1102 O  O   . LEU A 1 184 ? -8.466  -22.876 -26.084 1.00 20.49  ? 172 LEU A O   1 
ATOM   1103 C  CB  . LEU A 1 184 ? -8.645  -25.715 -25.190 1.00 13.17  ? 172 LEU A CB  1 
ATOM   1104 C  CG  . LEU A 1 184 ? -10.096 -25.948 -24.853 1.00 16.05  ? 172 LEU A CG  1 
ATOM   1105 C  CD1 . LEU A 1 184 ? -10.813 -26.998 -25.713 1.00 15.80  ? 172 LEU A CD1 1 
ATOM   1106 C  CD2 . LEU A 1 184 ? -10.182 -26.334 -23.334 1.00 12.48  ? 172 LEU A CD2 1 
ATOM   1107 N  N   . SER A 1 185 ? -9.848  -23.662 -27.663 1.00 20.57  ? 173 SER A N   1 
ATOM   1108 C  CA  . SER A 1 185 ? -10.266 -22.351 -28.136 1.00 18.96  ? 173 SER A CA  1 
ATOM   1109 C  C   . SER A 1 185 ? -10.885 -21.487 -27.018 1.00 24.73  ? 173 SER A C   1 
ATOM   1110 O  O   . SER A 1 185 ? -10.665 -20.260 -26.981 1.00 16.65  ? 173 SER A O   1 
ATOM   1111 C  CB  . SER A 1 185 ? -11.257 -22.503 -29.264 1.00 20.12  ? 173 SER A CB  1 
ATOM   1112 O  OG  . SER A 1 185 ? -11.630 -21.216 -29.743 1.00 29.19  ? 173 SER A OG  1 
ATOM   1113 N  N   . ILE A 1 186 ? -11.646 -22.130 -26.120 1.00 19.90  ? 174 ILE A N   1 
ATOM   1114 C  CA  . ILE A 1 186 ? -12.386 -21.403 -25.071 1.00 17.98  ? 174 ILE A CA  1 
ATOM   1115 C  C   . ILE A 1 186 ? -11.497 -21.146 -23.837 1.00 13.05  ? 174 ILE A C   1 
ATOM   1116 O  O   . ILE A 1 186 ? -11.926 -20.562 -22.825 1.00 13.55  ? 174 ILE A O   1 
ATOM   1117 C  CB  . ILE A 1 186 ? -13.654 -22.178 -24.666 1.00 15.56  ? 174 ILE A CB  1 
ATOM   1118 C  CG1 . ILE A 1 186 ? -13.306 -23.552 -24.061 1.00 13.89  ? 174 ILE A CG1 1 
ATOM   1119 C  CG2 . ILE A 1 186 ? -14.592 -22.334 -25.860 1.00 15.48  ? 174 ILE A CG2 1 
ATOM   1120 C  CD1 . ILE A 1 186 ? -14.478 -24.202 -23.371 1.00 16.74  ? 174 ILE A CD1 1 
ATOM   1121 N  N   . ALA A 1 187 ? -10.250 -21.600 -23.900 1.00 14.17  ? 175 ALA A N   1 
ATOM   1122 C  CA  . ALA A 1 187 ? -9.369  -21.498 -22.760 1.00 14.30  ? 175 ALA A CA  1 
ATOM   1123 C  C   . ALA A 1 187 ? -8.429  -20.332 -22.963 1.00 20.72  ? 175 ALA A C   1 
ATOM   1124 O  O   . ALA A 1 187 ? -8.077  -20.034 -24.099 1.00 19.39  ? 175 ALA A O   1 
ATOM   1125 C  CB  . ALA A 1 187 ? -8.595  -22.782 -22.576 1.00 18.26  ? 175 ALA A CB  1 
ATOM   1126 N  N   . SER A 1 188 ? -8.037  -19.664 -21.878 1.00 16.00  ? 176 SER A N   1 
ATOM   1127 C  CA  . SER A 1 188 ? -6.988  -18.684 -21.935 1.00 15.63  ? 176 SER A CA  1 
ATOM   1128 C  C   . SER A 1 188 ? -6.052  -18.827 -20.748 1.00 17.70  ? 176 SER A C   1 
ATOM   1129 O  O   . SER A 1 188 ? -6.441  -19.297 -19.667 1.00 15.55  ? 176 SER A O   1 
ATOM   1130 C  CB  . SER A 1 188 ? -7.583  -17.275 -21.993 1.00 15.89  ? 176 SER A CB  1 
ATOM   1131 O  OG  . SER A 1 188 ? -8.124  -16.897 -20.722 1.00 13.71  ? 176 SER A OG  1 
ATOM   1132 N  N   . GLN A 1 189 ? -4.798  -18.433 -20.919 1.00 13.20  ? 177 GLN A N   1 
ATOM   1133 C  CA  . GLN A 1 189 ? -3.841  -18.515 -19.849 1.00 15.28  ? 177 GLN A CA  1 
ATOM   1134 C  C   . GLN A 1 189 ? -3.871  -17.313 -18.910 1.00 22.19  ? 177 GLN A C   1 
ATOM   1135 O  O   . GLN A 1 189 ? -3.931  -16.173 -19.369 1.00 22.05  ? 177 GLN A O   1 
ATOM   1136 C  CB  . GLN A 1 189 ? -2.426  -18.666 -20.450 1.00 19.61  ? 177 GLN A CB  1 
ATOM   1137 C  CG  . GLN A 1 189 ? -1.389  -19.110 -19.464 1.00 19.23  ? 177 GLN A CG  1 
ATOM   1138 C  CD  . GLN A 1 189 ? -0.036  -19.351 -20.119 1.00 39.00  ? 177 GLN A CD  1 
ATOM   1139 O  OE1 . GLN A 1 189 ? 0.203   -20.406 -20.729 1.00 28.15  ? 177 GLN A OE1 1 
ATOM   1140 N  NE2 . GLN A 1 189 ? 0.852   -18.370 -20.004 1.00 35.12  ? 177 GLN A NE2 1 
ATOM   1141 N  N   . TYR A 1 190 ? -3.864  -17.580 -17.602 1.00 15.55  ? 178 TYR A N   1 
ATOM   1142 C  CA  . TYR A 1 190 ? -3.621  -16.555 -16.580 1.00 15.26  ? 178 TYR A CA  1 
ATOM   1143 C  C   . TYR A 1 190 ? -2.260  -15.899 -16.822 1.00 22.95  ? 178 TYR A C   1 
ATOM   1144 O  O   . TYR A 1 190 ? -1.323  -16.579 -17.230 1.00 20.32  ? 178 TYR A O   1 
ATOM   1145 C  CB  . TYR A 1 190 ? -3.621  -17.171 -15.165 1.00 13.79  ? 178 TYR A CB  1 
ATOM   1146 C  CG  . TYR A 1 190 ? -4.998  -17.500 -14.569 1.00 16.51  ? 178 TYR A CG  1 
ATOM   1147 C  CD1 . TYR A 1 190 ? -5.933  -16.501 -14.341 1.00 16.46  ? 178 TYR A CD1 1 
ATOM   1148 C  CD2 . TYR A 1 190 ? -5.316  -18.810 -14.170 1.00 18.70  ? 178 TYR A CD2 1 
ATOM   1149 C  CE1 . TYR A 1 190 ? -7.175  -16.790 -13.775 1.00 14.37  ? 178 TYR A CE1 1 
ATOM   1150 C  CE2 . TYR A 1 190 ? -6.544  -19.107 -13.576 1.00 17.27  ? 178 TYR A CE2 1 
ATOM   1151 C  CZ  . TYR A 1 190 ? -7.471  -18.098 -13.382 1.00 13.13  ? 178 TYR A CZ  1 
ATOM   1152 O  OH  . TYR A 1 190 ? -8.711  -18.395 -12.811 1.00 16.64  ? 178 TYR A OH  1 
ATOM   1153 N  N   . PRO A 1 191 ? -2.137  -14.595 -16.522 1.00 18.60  ? 179 PRO A N   1 
ATOM   1154 C  CA  . PRO A 1 191 ? -0.823  -13.923 -16.555 1.00 27.57  ? 179 PRO A CA  1 
ATOM   1155 C  C   . PRO A 1 191 ? 0.105   -14.546 -15.521 1.00 30.67  ? 179 PRO A C   1 
ATOM   1156 O  O   . PRO A 1 191 ? -0.413  -14.971 -14.508 1.00 42.75  ? 179 PRO A O   1 
ATOM   1157 C  CB  . PRO A 1 191 ? -1.133  -12.473 -16.175 1.00 31.65  ? 179 PRO A CB  1 
ATOM   1158 C  CG  . PRO A 1 191 ? -2.639  -12.341 -16.143 1.00 27.37  ? 179 PRO A CG  1 
ATOM   1159 C  CD  . PRO A 1 191 ? -3.220  -13.721 -16.017 1.00 21.84  ? 179 PRO A CD  1 
ATOM   1160 N  N   . ASP A 1 192 ? 1.422   -14.565 -15.754 1.00 53.44  ? 180 ASP A N   1 
ATOM   1161 C  CA  . ASP A 1 192 ? 2.432   -15.253 -14.901 1.00 57.01  ? 180 ASP A CA  1 
ATOM   1162 C  C   . ASP A 1 192 ? 1.948   -16.407 -13.956 1.00 71.77  ? 180 ASP A C   1 
ATOM   1163 O  O   . ASP A 1 192 ? 2.339   -17.563 -14.187 1.00 67.74  ? 180 ASP A O   1 
ATOM   1164 C  CB  . ASP A 1 192 ? 3.227   -14.218 -14.072 1.00 47.18  ? 180 ASP A CB  1 
ATOM   1165 C  CG  . ASP A 1 192 ? 2.339   -13.328 -13.215 1.00 59.53  ? 180 ASP A CG  1 
ATOM   1166 O  OD1 . ASP A 1 192 ? 1.803   -12.336 -13.759 1.00 59.39  ? 180 ASP A OD1 1 
ATOM   1167 O  OD2 . ASP A 1 192 ? 2.196   -13.605 -12.000 1.00 56.27  ? 180 ASP A OD2 1 
ATOM   1168 N  N   . SER A 1 193 ? 1.136   -16.133 -12.917 1.00 65.53  ? 181 SER A N   1 
ATOM   1169 C  CA  . SER A 1 193 ? 0.737   -17.205 -11.959 1.00 67.01  ? 181 SER A CA  1 
ATOM   1170 C  C   . SER A 1 193 ? -0.723  -17.188 -11.401 1.00 65.70  ? 181 SER A C   1 
ATOM   1171 O  O   . SER A 1 193 ? -1.157  -18.153 -10.746 1.00 62.55  ? 181 SER A O   1 
ATOM   1172 C  CB  . SER A 1 193 ? 1.714   -17.226 -10.760 1.00 62.46  ? 181 SER A CB  1 
ATOM   1173 O  OG  . SER A 1 193 ? 1.347   -16.312 -9.733  1.00 59.38  ? 181 SER A OG  1 
ATOM   1174 N  N   . GLY A 1 194 ? -1.481  -16.123 -11.654 1.00 65.95  ? 182 GLY A N   1 
ATOM   1175 C  CA  . GLY A 1 194 ? -2.845  -16.033 -11.152 1.00 57.40  ? 182 GLY A CA  1 
ATOM   1176 C  C   . GLY A 1 194 ? -3.498  -14.716 -11.520 1.00 51.65  ? 182 GLY A C   1 
ATOM   1177 O  O   . GLY A 1 194 ? -2.879  -13.890 -12.194 1.00 56.22  ? 182 GLY A O   1 
HETATM 1178 C  CHA . HEM B 2 .   ? -31.821 -26.925 0.957   1.00 24.44  ? 301 HEM A CHA 1 
HETATM 1179 C  CHB . HEM B 2 .   ? -29.180 -24.124 3.974   1.00 23.58  ? 301 HEM A CHB 1 
HETATM 1180 C  CHC . HEM B 2 .   ? -31.714 -20.237 2.546   1.00 22.47  ? 301 HEM A CHC 1 
HETATM 1181 C  CHD . HEM B 2 .   ? -34.481 -23.060 -0.287  1.00 33.34  ? 301 HEM A CHD 1 
HETATM 1182 C  C1A . HEM B 2 .   ? -30.941 -26.442 1.901   1.00 32.58  ? 301 HEM A C1A 1 
HETATM 1183 C  C2A . HEM B 2 .   ? -30.057 -27.297 2.631   1.00 40.52  ? 301 HEM A C2A 1 
HETATM 1184 C  C3A . HEM B 2 .   ? -29.309 -26.579 3.470   1.00 31.46  ? 301 HEM A C3A 1 
HETATM 1185 C  C4A . HEM B 2 .   ? -29.709 -25.196 3.287   1.00 33.74  ? 301 HEM A C4A 1 
HETATM 1186 C  CMA . HEM B 2 .   ? -28.225 -27.076 4.464   1.00 32.15  ? 301 HEM A CMA 1 
HETATM 1187 C  CAA . HEM B 2 .   ? -30.087 -28.809 2.397   1.00 52.56  ? 301 HEM A CAA 1 
HETATM 1188 C  CBA . HEM B 2 .   ? -28.711 -29.380 2.125   1.00 54.14  ? 301 HEM A CBA 1 
HETATM 1189 C  CGA . HEM B 2 .   ? -27.680 -28.626 1.327   1.00 51.33  ? 301 HEM A CGA 1 
HETATM 1190 O  O1A . HEM B 2 .   ? -26.964 -29.349 0.603   1.00 57.74  ? 301 HEM A O1A 1 
HETATM 1191 O  O2A . HEM B 2 .   ? -27.521 -27.372 1.345   1.00 60.79  ? 301 HEM A O2A 1 
HETATM 1192 C  C1B . HEM B 2 .   ? -29.623 -22.835 3.861   1.00 25.01  ? 301 HEM A C1B 1 
HETATM 1193 C  C2B . HEM B 2 .   ? -29.118 -21.688 4.580   1.00 22.55  ? 301 HEM A C2B 1 
HETATM 1194 C  C3B . HEM B 2 .   ? -29.778 -20.601 4.180   1.00 20.43  ? 301 HEM A C3B 1 
HETATM 1195 C  C4B . HEM B 2 .   ? -30.777 -21.019 3.188   1.00 23.52  ? 301 HEM A C4B 1 
HETATM 1196 C  CMB . HEM B 2 .   ? -27.984 -21.672 5.616   1.00 27.36  ? 301 HEM A CMB 1 
HETATM 1197 C  CAB . HEM B 2 .   ? -29.431 -19.225 4.796   1.00 28.10  ? 301 HEM A CAB 1 
HETATM 1198 C  CBB . HEM B 2 .   ? -29.700 -18.072 4.203   1.00 33.66  ? 301 HEM A CBB 1 
HETATM 1199 C  C1C . HEM B 2 .   ? -32.726 -20.661 1.700   1.00 27.26  ? 301 HEM A C1C 1 
HETATM 1200 C  C2C . HEM B 2 .   ? -33.802 -19.849 1.151   1.00 32.70  ? 301 HEM A C2C 1 
HETATM 1201 C  C3C . HEM B 2 .   ? -34.560 -20.653 0.371   1.00 29.08  ? 301 HEM A C3C 1 
HETATM 1202 C  C4C . HEM B 2 .   ? -33.993 -21.976 0.414   1.00 29.18  ? 301 HEM A C4C 1 
HETATM 1203 C  CMC . HEM B 2 .   ? -33.999 -18.334 1.459   1.00 33.73  ? 301 HEM A CMC 1 
HETATM 1204 C  CAC . HEM B 2 .   ? -35.830 -20.360 -0.460  1.00 36.48  ? 301 HEM A CAC 1 
HETATM 1205 C  CBC . HEM B 2 .   ? -36.454 -19.179 -0.538  1.00 46.68  ? 301 HEM A CBC 1 
HETATM 1206 C  C1D . HEM B 2 .   ? -33.983 -24.348 -0.294  1.00 31.79  ? 301 HEM A C1D 1 
HETATM 1207 C  C2D . HEM B 2 .   ? -34.430 -25.411 -1.173  1.00 34.50  ? 301 HEM A C2D 1 
HETATM 1208 C  C3D . HEM B 2 .   ? -33.594 -26.636 -0.808  1.00 31.17  ? 301 HEM A C3D 1 
HETATM 1209 C  C4D . HEM B 2 .   ? -32.744 -26.184 0.274   1.00 31.94  ? 301 HEM A C4D 1 
HETATM 1210 C  CMD . HEM B 2 .   ? -35.512 -25.321 -2.271  1.00 41.95  ? 301 HEM A CMD 1 
HETATM 1211 C  CAD . HEM B 2 .   ? -33.691 -28.041 -1.450  1.00 33.76  ? 301 HEM A CAD 1 
HETATM 1212 C  CBD . HEM B 2 .   ? -32.510 -28.300 -2.395  1.00 32.83  ? 301 HEM A CBD 1 
HETATM 1213 C  CGD . HEM B 2 .   ? -32.162 -27.143 -3.318  1.00 32.94  ? 301 HEM A CGD 1 
HETATM 1214 O  O1D . HEM B 2 .   ? -32.990 -26.860 -4.230  1.00 40.22  ? 301 HEM A O1D 1 
HETATM 1215 O  O2D . HEM B 2 .   ? -31.054 -26.526 -3.188  1.00 28.96  ? 301 HEM A O2D 1 
HETATM 1216 N  NA  . HEM B 2 .   ? -30.707 -25.149 2.323   1.00 23.20  ? 301 HEM A NA  1 
HETATM 1217 N  NB  . HEM B 2 .   ? -30.637 -22.392 3.035   1.00 19.16  ? 301 HEM A NB  1 
HETATM 1218 N  NC  . HEM B 2 .   ? -32.880 -21.955 1.234   1.00 24.33  ? 301 HEM A NC  1 
HETATM 1219 N  ND  . HEM B 2 .   ? -32.987 -24.848 0.529   1.00 25.50  ? 301 HEM A ND  1 
HETATM 1220 FE FE  . HEM B 2 .   ? -31.768 -23.602 1.785   1.00 24.44  ? 301 HEM A FE  1 
HETATM 1221 S  S   . SO4 C 3 .   ? -18.607 -3.745  24.584  1.00 26.31  ? 302 SO4 A S   1 
HETATM 1222 O  O1  . SO4 C 3 .   ? -19.955 -4.231  24.259  1.00 28.14  ? 302 SO4 A O1  1 
HETATM 1223 O  O2  . SO4 C 3 .   ? -17.718 -3.795  23.419  1.00 14.68  ? 302 SO4 A O2  1 
HETATM 1224 O  O3  . SO4 C 3 .   ? -18.086 -4.629  25.599  1.00 26.59  ? 302 SO4 A O3  1 
HETATM 1225 O  O4  . SO4 C 3 .   ? -18.718 -2.368  25.036  1.00 33.18  ? 302 SO4 A O4  1 
HETATM 1226 O  O   . HOH D 4 .   ? -35.295 -9.883  -7.599  1.00 43.04  ? 401 HOH A O   1 
HETATM 1227 O  O   . HOH D 4 .   ? -17.346 -44.136 -7.532  1.00 55.61  ? 402 HOH A O   1 
HETATM 1228 O  O   . HOH D 4 .   ? -3.155  -19.124 -11.227 1.00 25.84  ? 403 HOH A O   1 
HETATM 1229 O  O   . HOH D 4 .   ? -13.508 -10.682 1.799   1.00 29.70  ? 404 HOH A O   1 
HETATM 1230 O  O   . HOH D 4 .   ? -21.376 -37.021 -21.826 1.00 21.44  ? 405 HOH A O   1 
HETATM 1231 O  O   . HOH D 4 .   ? -16.625 -10.630 8.942   1.00 26.73  ? 406 HOH A O   1 
HETATM 1232 O  O   . HOH D 4 .   ? -19.452 -16.607 25.116  1.00 18.48  ? 407 HOH A O   1 
HETATM 1233 O  O   . HOH D 4 .   ? -4.471  -33.310 -1.724  1.00 30.45  ? 408 HOH A O   1 
HETATM 1234 O  O   . HOH D 4 .   ? -13.667 -20.029 -28.790 1.00 32.10  ? 409 HOH A O   1 
HETATM 1235 O  O   . HOH D 4 .   ? -16.215 -18.387 22.342  1.00 19.82  ? 410 HOH A O   1 
HETATM 1236 O  O   . HOH D 4 .   ? -6.959  -33.258 -29.129 1.00 25.36  ? 411 HOH A O   1 
HETATM 1237 O  O   . HOH D 4 .   ? -5.083  -13.941 -18.724 1.00 21.10  ? 412 HOH A O   1 
HETATM 1238 O  O   . HOH D 4 .   ? -38.076 -10.832 21.886  1.00 29.03  ? 413 HOH A O   1 
HETATM 1239 O  O   . HOH D 4 .   ? -20.757 -16.397 -9.918  1.00 33.13  ? 414 HOH A O   1 
HETATM 1240 O  O   . HOH D 4 .   ? -1.487  -23.215 -10.392 1.00 27.75  ? 415 HOH A O   1 
HETATM 1241 O  O   . HOH D 4 .   ? -18.445 -17.750 -14.028 1.00 20.98  ? 416 HOH A O   1 
HETATM 1242 O  O   . HOH D 4 .   ? -13.724 -16.206 -12.549 1.00 20.20  ? 417 HOH A O   1 
HETATM 1243 O  O   . HOH D 4 .   ? -11.832 -18.045 -25.991 1.00 22.08  ? 418 HOH A O   1 
HETATM 1244 O  O   . HOH D 4 .   ? -17.356 -21.968 1.318   1.00 12.81  ? 419 HOH A O   1 
HETATM 1245 O  O   . HOH D 4 .   ? -17.894 -10.697 20.620  1.00 16.83  ? 420 HOH A O   1 
HETATM 1246 O  O   . HOH D 4 .   ? -7.378  -15.298 -18.649 1.00 22.83  ? 421 HOH A O   1 
HETATM 1247 O  O   . HOH D 4 .   ? -9.526  -30.140 -22.913 1.00 11.78  ? 422 HOH A O   1 
HETATM 1248 O  O   . HOH D 4 .   ? -10.435 -18.977 -5.111  1.00 15.94  ? 423 HOH A O   1 
HETATM 1249 O  O   . HOH D 4 .   ? -16.614 -21.940 3.894   1.00 17.15  ? 424 HOH A O   1 
HETATM 1250 O  O   . HOH D 4 .   ? -14.390 -18.898 5.721   1.00 17.51  ? 425 HOH A O   1 
HETATM 1251 O  O   . HOH D 4 .   ? -5.768  -25.584 2.963   1.00 31.25  ? 426 HOH A O   1 
HETATM 1252 O  O   . HOH D 4 .   ? -9.933  -16.143 -11.776 1.00 23.86  ? 427 HOH A O   1 
HETATM 1253 O  O   . HOH D 4 .   ? -11.984 -44.769 -8.512  1.00 20.19  ? 428 HOH A O   1 
HETATM 1254 O  O   . HOH D 4 .   ? -3.019  -19.067 -7.803  1.00 30.32  ? 429 HOH A O   1 
HETATM 1255 O  O   . HOH D 4 .   ? 3.530   -17.536 -16.715 1.00 57.46  ? 430 HOH A O   1 
HETATM 1256 O  O   . HOH D 4 .   ? -6.022  -21.559 -25.737 1.00 22.78  ? 431 HOH A O   1 
HETATM 1257 O  O   . HOH D 4 .   ? -16.940 -13.710 10.129  1.00 19.62  ? 432 HOH A O   1 
HETATM 1258 O  O   . HOH D 4 .   ? -14.882 -11.569 13.288  1.00 26.87  ? 433 HOH A O   1 
HETATM 1259 O  O   . HOH D 4 .   ? -0.234  -18.592 -15.535 1.00 22.47  ? 434 HOH A O   1 
HETATM 1260 O  O   . HOH D 4 .   ? -13.111 -40.271 -19.329 1.00 30.75  ? 435 HOH A O   1 
HETATM 1261 O  O   . HOH D 4 .   ? -22.873 -20.384 23.853  1.00 28.61  ? 436 HOH A O   1 
HETATM 1262 O  O   . HOH D 4 .   ? -8.159  -28.651 2.180   1.00 23.97  ? 437 HOH A O   1 
HETATM 1263 O  O   . HOH D 4 .   ? -9.556  -12.197 0.455   1.00 38.28  ? 438 HOH A O   1 
HETATM 1264 O  O   . HOH D 4 .   ? -21.818 -37.870 -15.492 1.00 21.68  ? 439 HOH A O   1 
HETATM 1265 O  O   . HOH D 4 .   ? -16.471 -9.854  5.688   1.00 22.47  ? 440 HOH A O   1 
HETATM 1266 O  O   . HOH D 4 .   ? -38.795 -7.485  18.667  1.00 27.92  ? 441 HOH A O   1 
HETATM 1267 O  O   . HOH D 4 .   ? -23.255 -24.119 -19.444 1.00 32.49  ? 442 HOH A O   1 
HETATM 1268 O  O   . HOH D 4 .   ? -14.247 -34.179 -25.631 1.00 26.39  ? 443 HOH A O   1 
HETATM 1269 O  O   . HOH D 4 .   ? -28.238 -19.230 -0.289  1.00 30.17  ? 444 HOH A O   1 
HETATM 1270 O  O   . HOH D 4 .   ? -17.166 -25.278 -25.738 1.00 28.38  ? 445 HOH A O   1 
HETATM 1271 O  O   . HOH D 4 .   ? -21.921 -12.444 -16.758 1.00 34.18  ? 446 HOH A O   1 
HETATM 1272 O  O   . HOH D 4 .   ? -22.933 -37.945 -2.296  1.00 50.91  ? 447 HOH A O   1 
HETATM 1273 O  O   . HOH D 4 .   ? -31.279 -2.762  9.710   1.00 37.57  ? 448 HOH A O   1 
HETATM 1274 O  O   . HOH D 4 .   ? -20.952 -17.847 27.203  1.00 30.30  ? 449 HOH A O   1 
HETATM 1275 O  O   . HOH D 4 .   ? -21.693 -36.017 -24.463 1.00 34.24  ? 450 HOH A O   1 
HETATM 1276 O  O   . HOH D 4 .   ? -21.967 -21.520 25.483  1.00 49.55  ? 451 HOH A O   1 
HETATM 1277 O  O   . HOH D 4 .   ? -15.781 -37.214 -11.714 1.00 17.99  ? 452 HOH A O   1 
HETATM 1278 O  O   . HOH D 4 .   ? -14.570 -26.668 -26.110 1.00 20.39  ? 453 HOH A O   1 
HETATM 1279 O  O   . HOH D 4 .   ? -12.921 -24.847 -27.508 1.00 21.91  ? 454 HOH A O   1 
HETATM 1280 O  O   . HOH D 4 .   ? -22.986 -39.473 -4.626  1.00 33.70  ? 455 HOH A O   1 
HETATM 1281 O  O   . HOH D 4 .   ? -33.370 1.142   19.869  1.00 43.11  ? 456 HOH A O   1 
HETATM 1282 O  O   . HOH D 4 .   ? -7.488  -27.165 -0.130  1.00 19.14  ? 457 HOH A O   1 
HETATM 1283 O  O   . HOH D 4 .   ? -25.302 -25.745 -19.654 1.00 42.06  ? 458 HOH A O   1 
HETATM 1284 O  O   . HOH D 4 .   ? 2.244   -26.563 -5.317  1.00 52.17  ? 459 HOH A O   1 
HETATM 1285 O  O   . HOH D 4 .   ? -34.099 -1.129  19.766  1.00 27.63  ? 460 HOH A O   1 
HETATM 1286 O  O   . HOH D 4 .   ? -10.709 -25.798 -29.427 1.00 24.99  ? 461 HOH A O   1 
HETATM 1287 O  O   . HOH D 4 .   ? -5.493  -16.946 -5.064  1.00 25.72  ? 462 HOH A O   1 
HETATM 1288 O  O   . HOH D 4 .   ? -37.025 -3.224  16.122  1.00 26.59  ? 463 HOH A O   1 
HETATM 1289 O  O   . HOH D 4 .   ? -28.943 -19.620 -4.981  1.00 29.51  ? 464 HOH A O   1 
HETATM 1290 O  O   . HOH D 4 .   ? -26.546 -20.071 -5.938  1.00 29.64  ? 465 HOH A O   1 
HETATM 1291 O  O   . HOH D 4 .   ? -4.373  -15.892 -2.866  1.00 36.93  ? 466 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   -11 ?   ?   ?   A . n 
A 1 2   ARG 2   -10 ?   ?   ?   A . n 
A 1 3   GLY 3   -9  ?   ?   ?   A . n 
A 1 4   SER 4   -8  ?   ?   ?   A . n 
A 1 5   HIS 5   -7  ?   ?   ?   A . n 
A 1 6   HIS 6   -6  ?   ?   ?   A . n 
A 1 7   HIS 7   -5  ?   ?   ?   A . n 
A 1 8   HIS 8   -4  ?   ?   ?   A . n 
A 1 9   HIS 9   -3  ?   ?   ?   A . n 
A 1 10  HIS 10  -2  ?   ?   ?   A . n 
A 1 11  GLY 11  -1  ?   ?   ?   A . n 
A 1 12  SER 12  0   ?   ?   ?   A . n 
A 1 13  MET 13  1   1   MET MET A . n 
A 1 14  SER 14  2   2   SER SER A . n 
A 1 15  THR 15  3   3   THR THR A . n 
A 1 16  THR 16  4   4   THR THR A . n 
A 1 17  ILE 17  5   5   ILE ILE A . n 
A 1 18  GLN 18  6   6   GLN GLN A . n 
A 1 19  TYR 19  7   7   TYR TYR A . n 
A 1 20  ASN 20  8   8   ASN ASN A . n 
A 1 21  SER 21  9   9   SER SER A . n 
A 1 22  ASN 22  10  10  ASN ASN A . n 
A 1 23  TYR 23  11  11  TYR TYR A . n 
A 1 24  ALA 24  12  12  ALA ALA A . n 
A 1 25  ASP 25  13  13  ASP ASP A . n 
A 1 26  TYR 26  14  14  TYR TYR A . n 
A 1 27  SER 27  15  15  SER SER A . n 
A 1 28  ILE 28  16  16  ILE ILE A . n 
A 1 29  SER 29  17  17  SER SER A . n 
A 1 30  SER 30  18  18  SER SER A . n 
A 1 31  TYR 31  19  19  TYR TYR A . n 
A 1 32  LEU 32  20  20  LEU LEU A . n 
A 1 33  ARG 33  21  21  ARG ARG A . n 
A 1 34  GLU 34  22  22  GLU GLU A . n 
A 1 35  TRP 35  23  23  TRP TRP A . n 
A 1 36  ALA 36  24  24  ALA ALA A . n 
A 1 37  ASN 37  25  25  ASN ASN A . n 
A 1 38  ASN 38  26  26  ASN ASN A . n 
A 1 39  PHE 39  27  27  PHE PHE A . n 
A 1 40  GLY 40  28  28  GLY GLY A . n 
A 1 41  ASP 41  29  ?   ?   ?   A . n 
A 1 42  ILE 42  30  ?   ?   ?   A . n 
A 1 43  ASP 43  31  ?   ?   ?   A . n 
A 1 44  GLN 44  32  ?   ?   ?   A . n 
A 1 45  ALA 45  33  ?   ?   ?   A . n 
A 1 46  PRO 46  34  ?   ?   ?   A . n 
A 1 47  ALA 47  35  ?   ?   ?   A . n 
A 1 48  GLU 48  36  ?   ?   ?   A . n 
A 1 49  THR 49  37  ?   ?   ?   A . n 
A 1 50  LYS 50  38  ?   ?   ?   A . n 
A 1 51  ASP 51  39  ?   ?   ?   A . n 
A 1 52  ARG 52  40  ?   ?   ?   A . n 
A 1 53  GLY 53  41  ?   ?   ?   A . n 
A 1 54  SER 54  42  ?   ?   ?   A . n 
A 1 55  PHE 55  43  ?   ?   ?   A . n 
A 1 56  SER 56  44  ?   ?   ?   A . n 
A 1 57  GLY 57  45  45  GLY GLY A . n 
A 1 58  SER 58  46  46  SER SER A . n 
A 1 59  SER 59  47  47  SER SER A . n 
A 1 60  THR 60  48  48  THR THR A . n 
A 1 61  LEU 61  49  49  LEU LEU A . n 
A 1 62  PHE 62  50  50  PHE PHE A . n 
A 1 63  SER 63  51  51  SER SER A . n 
A 1 64  GLY 64  52  52  GLY GLY A . n 
A 1 65  THR 65  53  53  THR THR A . n 
A 1 66  GLN 66  54  54  GLN GLN A . n 
A 1 67  TYR 67  55  55  TYR TYR A . n 
A 1 68  ALA 68  56  56  ALA ALA A . n 
A 1 69  ILE 69  57  57  ILE ILE A . n 
A 1 70  GLY 70  58  58  GLY GLY A . n 
A 1 71  SER 71  59  59  SER SER A . n 
A 1 72  SER 72  60  60  SER SER A . n 
A 1 73  HIS 73  61  61  HIS HIS A . n 
A 1 74  SER 74  62  62  SER SER A . n 
A 1 75  ASN 75  63  63  ASN ASN A . n 
A 1 76  PRO 76  64  64  PRO PRO A . n 
A 1 77  GLU 77  65  65  GLU GLU A . n 
A 1 78  GLY 78  66  66  GLY GLY A . n 
A 1 79  MET 79  67  67  MET MET A . n 
A 1 80  ILE 80  68  68  ILE ILE A . n 
A 1 81  ALA 81  69  69  ALA ALA A . n 
A 1 82  GLU 82  70  70  GLU GLU A . n 
A 1 83  GLY 83  71  71  GLY GLY A . n 
A 1 84  ASP 84  72  72  ASP ASP A . n 
A 1 85  LEU 85  73  73  LEU LEU A . n 
A 1 86  LYS 86  74  74  LYS LYS A . n 
A 1 87  ALA 87  75  75  ALA ALA A . n 
A 1 88  SER 88  76  76  SER SER A . n 
A 1 89  PHE 89  77  77  PHE PHE A . n 
A 1 90  MET 90  78  78  MET MET A . n 
A 1 91  PRO 91  79  79  PRO PRO A . n 
A 1 92  GLN 92  80  80  GLN GLN A . n 
A 1 93  HIS 93  81  81  HIS HIS A . n 
A 1 94  THR 94  82  82  THR THR A . n 
A 1 95  PHE 95  83  83  PHE PHE A . n 
A 1 96  HIS 96  84  84  HIS HIS A . n 
A 1 97  GLY 97  85  85  GLY GLY A . n 
A 1 98  GLN 98  86  86  GLN GLN A . n 
A 1 99  ILE 99  87  87  ILE ILE A . n 
A 1 100 ASP 100 88  88  ASP ASP A . n 
A 1 101 THR 101 89  89  THR THR A . n 
A 1 102 LEU 102 90  90  LEU LEU A . n 
A 1 103 GLN 103 91  91  GLN GLN A . n 
A 1 104 PHE 104 92  92  PHE PHE A . n 
A 1 105 GLY 105 93  93  GLY GLY A . n 
A 1 106 LYS 106 94  94  LYS LYS A . n 
A 1 107 ASP 107 95  95  ASP ASP A . n 
A 1 108 LEU 108 96  96  LEU LEU A . n 
A 1 109 ALA 109 97  97  ALA ALA A . n 
A 1 110 THR 110 98  98  THR THR A . n 
A 1 111 ASN 111 99  99  ASN ASN A . n 
A 1 112 ALA 112 100 100 ALA ALA A . n 
A 1 113 GLY 113 101 101 GLY GLY A . n 
A 1 114 GLY 114 102 102 GLY GLY A . n 
A 1 115 PRO 115 103 103 PRO PRO A . n 
A 1 116 SER 116 104 104 SER SER A . n 
A 1 117 ALA 117 105 105 ALA ALA A . n 
A 1 118 GLY 118 106 106 GLY GLY A . n 
A 1 119 LYS 119 107 107 LYS LYS A . n 
A 1 120 HIS 120 108 108 HIS HIS A . n 
A 1 121 LEU 121 109 109 LEU LEU A . n 
A 1 122 GLU 122 110 110 GLU GLU A . n 
A 1 123 LYS 123 111 111 LYS LYS A . n 
A 1 124 ILE 124 112 112 ILE ILE A . n 
A 1 125 ASP 125 113 113 ASP ASP A . n 
A 1 126 ILE 126 114 114 ILE ILE A . n 
A 1 127 THR 127 115 115 THR THR A . n 
A 1 128 PHE 128 116 116 PHE PHE A . n 
A 1 129 ASN 129 117 117 ASN ASN A . n 
A 1 130 GLU 130 118 118 GLU GLU A . n 
A 1 131 LEU 131 119 119 LEU LEU A . n 
A 1 132 ASP 132 120 120 ASP ASP A . n 
A 1 133 LEU 133 121 121 LEU LEU A . n 
A 1 134 SER 134 122 122 SER SER A . n 
A 1 135 GLY 135 123 123 GLY GLY A . n 
A 1 136 GLU 136 124 124 GLU GLU A . n 
A 1 137 PHE 137 125 125 PHE PHE A . n 
A 1 138 ASP 138 126 126 ASP ASP A . n 
A 1 139 SER 139 127 ?   ?   ?   A . n 
A 1 140 GLY 140 128 ?   ?   ?   A . n 
A 1 141 LYS 141 129 ?   ?   ?   A . n 
A 1 142 SER 142 130 ?   ?   ?   A . n 
A 1 143 MET 143 131 ?   ?   ?   A . n 
A 1 144 THR 144 132 ?   ?   ?   A . n 
A 1 145 GLU 145 133 ?   ?   ?   A . n 
A 1 146 ASN 146 134 ?   ?   ?   A . n 
A 1 147 HIS 147 135 ?   ?   ?   A . n 
A 1 148 GLN 148 136 ?   ?   ?   A . n 
A 1 149 GLY 149 137 ?   ?   ?   A . n 
A 1 150 ASP 150 138 138 ASP ASP A . n 
A 1 151 MET 151 139 139 MET MET A . n 
A 1 152 HIS 152 140 140 HIS HIS A . n 
A 1 153 LYS 153 141 141 LYS LYS A . n 
A 1 154 SER 154 142 142 SER SER A . n 
A 1 155 VAL 155 143 143 VAL VAL A . n 
A 1 156 ARG 156 144 144 ARG ARG A . n 
A 1 157 GLY 157 145 145 GLY GLY A . n 
A 1 158 LEU 158 146 146 LEU LEU A . n 
A 1 159 MET 159 147 147 MET MET A . n 
A 1 160 LYS 160 148 148 LYS LYS A . n 
A 1 161 GLY 161 149 149 GLY GLY A . n 
A 1 162 ASN 162 150 150 ASN ASN A . n 
A 1 163 PRO 163 151 151 PRO PRO A . n 
A 1 164 ASP 164 152 152 ASP ASP A . n 
A 1 165 PRO 165 153 153 PRO PRO A . n 
A 1 166 MET 166 154 154 MET MET A . n 
A 1 167 LEU 167 155 155 LEU LEU A . n 
A 1 168 GLU 168 156 156 GLU GLU A . n 
A 1 169 VAL 169 157 157 VAL VAL A . n 
A 1 170 MET 170 158 158 MET MET A . n 
A 1 171 LYS 171 159 159 LYS LYS A . n 
A 1 172 ALA 172 160 160 ALA ALA A . n 
A 1 173 LYS 173 161 161 LYS LYS A . n 
A 1 174 GLY 174 162 162 GLY GLY A . n 
A 1 175 ILE 175 163 163 ILE ILE A . n 
A 1 176 ASN 176 164 164 ASN ASN A . n 
A 1 177 VAL 177 165 165 VAL VAL A . n 
A 1 178 ASP 178 166 166 ASP ASP A . n 
A 1 179 THR 179 167 167 THR THR A . n 
A 1 180 ALA 180 168 168 ALA ALA A . n 
A 1 181 PHE 181 169 169 PHE PHE A . n 
A 1 182 LYS 182 170 170 LYS LYS A . n 
A 1 183 ASP 183 171 171 ASP ASP A . n 
A 1 184 LEU 184 172 172 LEU LEU A . n 
A 1 185 SER 185 173 173 SER SER A . n 
A 1 186 ILE 186 174 174 ILE ILE A . n 
A 1 187 ALA 187 175 175 ALA ALA A . n 
A 1 188 SER 188 176 176 SER SER A . n 
A 1 189 GLN 189 177 177 GLN GLN A . n 
A 1 190 TYR 190 178 178 TYR TYR A . n 
A 1 191 PRO 191 179 179 PRO PRO A . n 
A 1 192 ASP 192 180 180 ASP ASP A . n 
A 1 193 SER 193 181 181 SER SER A . n 
A 1 194 GLY 194 182 182 GLY GLY A . n 
A 1 195 TYR 195 183 ?   ?   ?   A . n 
A 1 196 MET 196 184 ?   ?   ?   A . n 
A 1 197 SER 197 185 ?   ?   ?   A . n 
A 1 198 ASP 198 186 ?   ?   ?   A . n 
A 1 199 ALA 199 187 ?   ?   ?   A . n 
A 1 200 PRO 200 188 ?   ?   ?   A . n 
A 1 201 MET 201 189 ?   ?   ?   A . n 
A 1 202 VAL 202 190 ?   ?   ?   A . n 
A 1 203 ASP 203 191 ?   ?   ?   A . n 
A 1 204 THR 204 192 ?   ?   ?   A . n 
A 1 205 VAL 205 193 ?   ?   ?   A . n 
A 1 206 GLY 206 194 ?   ?   ?   A . n 
A 1 207 VAL 207 195 ?   ?   ?   A . n 
A 1 208 MET 208 196 ?   ?   ?   A . n 
A 1 209 ASP 209 197 ?   ?   ?   A . n 
A 1 210 SER 210 198 ?   ?   ?   A . n 
A 1 211 ASN 211 199 ?   ?   ?   A . n 
A 1 212 ASP 212 200 ?   ?   ?   A . n 
A 1 213 MET 213 201 ?   ?   ?   A . n 
A 1 214 LEU 214 202 ?   ?   ?   A . n 
A 1 215 LEU 215 203 ?   ?   ?   A . n 
A 1 216 ALA 216 204 ?   ?   ?   A . n 
A 1 217 ALA 217 205 ?   ?   ?   A . n 
# 
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  301 200 HEM HEM A . 
C 3 SO4 1  302 201 SO4 SO4 A . 
D 4 HOH 1  401 44  HOH HOH A . 
D 4 HOH 2  402 50  HOH HOH A . 
D 4 HOH 3  403 28  HOH HOH A . 
D 4 HOH 4  404 48  HOH HOH A . 
D 4 HOH 5  405 22  HOH HOH A . 
D 4 HOH 6  406 37  HOH HOH A . 
D 4 HOH 7  407 1   HOH HOH A . 
D 4 HOH 8  408 33  HOH HOH A . 
D 4 HOH 9  409 52  HOH HOH A . 
D 4 HOH 10 410 30  HOH HOH A . 
D 4 HOH 11 411 35  HOH HOH A . 
D 4 HOH 12 412 13  HOH HOH A . 
D 4 HOH 13 413 58  HOH HOH A . 
D 4 HOH 14 414 40  HOH HOH A . 
D 4 HOH 15 415 57  HOH HOH A . 
D 4 HOH 16 416 39  HOH HOH A . 
D 4 HOH 17 417 64  HOH HOH A . 
D 4 HOH 18 418 51  HOH HOH A . 
D 4 HOH 19 419 7   HOH HOH A . 
D 4 HOH 20 420 31  HOH HOH A . 
D 4 HOH 21 421 11  HOH HOH A . 
D 4 HOH 22 422 3   HOH HOH A . 
D 4 HOH 23 423 36  HOH HOH A . 
D 4 HOH 24 424 16  HOH HOH A . 
D 4 HOH 25 425 9   HOH HOH A . 
D 4 HOH 26 426 46  HOH HOH A . 
D 4 HOH 27 427 14  HOH HOH A . 
D 4 HOH 28 428 5   HOH HOH A . 
D 4 HOH 29 429 38  HOH HOH A . 
D 4 HOH 30 430 24  HOH HOH A . 
D 4 HOH 31 431 19  HOH HOH A . 
D 4 HOH 32 432 15  HOH HOH A . 
D 4 HOH 33 433 65  HOH HOH A . 
D 4 HOH 34 434 29  HOH HOH A . 
D 4 HOH 35 435 56  HOH HOH A . 
D 4 HOH 36 436 41  HOH HOH A . 
D 4 HOH 37 437 20  HOH HOH A . 
D 4 HOH 38 438 12  HOH HOH A . 
D 4 HOH 39 439 21  HOH HOH A . 
D 4 HOH 40 440 47  HOH HOH A . 
D 4 HOH 41 441 59  HOH HOH A . 
D 4 HOH 42 442 17  HOH HOH A . 
D 4 HOH 43 443 66  HOH HOH A . 
D 4 HOH 44 444 45  HOH HOH A . 
D 4 HOH 45 445 23  HOH HOH A . 
D 4 HOH 46 446 43  HOH HOH A . 
D 4 HOH 47 447 49  HOH HOH A . 
D 4 HOH 48 448 4   HOH HOH A . 
D 4 HOH 49 449 26  HOH HOH A . 
D 4 HOH 50 450 34  HOH HOH A . 
D 4 HOH 51 451 27  HOH HOH A . 
D 4 HOH 52 452 6   HOH HOH A . 
D 4 HOH 53 453 2   HOH HOH A . 
D 4 HOH 54 454 25  HOH HOH A . 
D 4 HOH 55 455 10  HOH HOH A . 
D 4 HOH 56 456 55  HOH HOH A . 
D 4 HOH 57 457 8   HOH HOH A . 
D 4 HOH 58 458 18  HOH HOH A . 
D 4 HOH 59 459 32  HOH HOH A . 
D 4 HOH 60 460 42  HOH HOH A . 
D 4 HOH 61 461 53  HOH HOH A . 
D 4 HOH 62 462 54  HOH HOH A . 
D 4 HOH 63 463 60  HOH HOH A . 
D 4 HOH 64 464 61  HOH HOH A . 
D 4 HOH 65 465 62  HOH HOH A . 
D 4 HOH 66 466 63  HOH HOH A . 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
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)' 11760 ? 
1 MORE         -119  ? 
1 'SSA (A^2)'  13320 ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z  1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000 
2 'crystal symmetry operation' 7_555 y,x,-z 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 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 96 ? A HIS 84  ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 NA  ? B HEM .   ? A HEM 301 ? 1_555 91.6  ? 
2  NE2 ? A HIS 96 ? A HIS 84  ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 NB  ? B HEM .   ? A HEM 301 ? 1_555 90.8  ? 
3  NA  ? B HEM .  ? A HEM 301 ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 NB  ? B HEM .   ? A HEM 301 ? 1_555 90.0  ? 
4  NE2 ? A HIS 96 ? A HIS 84  ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 NC  ? B HEM .   ? A HEM 301 ? 1_555 88.5  ? 
5  NA  ? B HEM .  ? A HEM 301 ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 NC  ? B HEM .   ? A HEM 301 ? 1_555 179.4 ? 
6  NB  ? B HEM .  ? A HEM 301 ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 NC  ? B HEM .   ? A HEM 301 ? 1_555 89.4  ? 
7  NE2 ? A HIS 96 ? A HIS 84  ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 ND  ? B HEM .   ? A HEM 301 ? 1_555 90.8  ? 
8  NA  ? B HEM .  ? A HEM 301 ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 ND  ? B HEM .   ? A HEM 301 ? 1_555 90.6  ? 
9  NB  ? B HEM .  ? A HEM 301 ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 ND  ? B HEM .   ? A HEM 301 ? 1_555 178.4 ? 
10 NC  ? B HEM .  ? A HEM 301 ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 ND  ? B HEM .   ? A HEM 301 ? 1_555 90.1  ? 
11 NE2 ? A HIS 96 ? A HIS 84  ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 NE2 ? A HIS 152 ? A HIS 140 ? 1_555 59.8  ? 
12 NA  ? B HEM .  ? A HEM 301 ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 NE2 ? A HIS 152 ? A HIS 140 ? 1_555 39.6  ? 
13 NB  ? B HEM .  ? A HEM 301 ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 NE2 ? A HIS 152 ? A HIS 140 ? 1_555 111.6 ? 
14 NC  ? B HEM .  ? A HEM 301 ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 NE2 ? A HIS 152 ? A HIS 140 ? 1_555 140.9 ? 
15 ND  ? B HEM .  ? A HEM 301 ? 1_555 FE ? B HEM . ? A HEM 301 ? 1_555 NE2 ? A HIS 152 ? A HIS 140 ? 1_555 69.7  ? 
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2015-08-12 
2 'Structure model' 1 1 2016-01-06 
3 'Structure model' 1 2 2020-02-05 
# 
_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_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Database references'  
2 3 'Structure model' 'Data collection'      
3 3 'Structure model' 'Database references'  
4 3 'Structure model' 'Derived calculations' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 3 'Structure model' citation              
2 3 'Structure model' diffrn_source         
3 3 'Structure model' pdbx_struct_oper_list 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 3 'Structure model' '_citation.journal_id_CSD'                  
2 3 'Structure model' '_diffrn_source.pdbx_synchrotron_site'      
3 3 'Structure model' '_pdbx_struct_oper_list.symmetry_operation' 
# 
_diffrn_reflns.diffrn_id                   1 
_diffrn_reflns.pdbx_d_res_high             2.195 
_diffrn_reflns.pdbx_d_res_low              46.493 
_diffrn_reflns.pdbx_number_obs             10551 
_diffrn_reflns.pdbx_Rmerge_I_obs           ? 
_diffrn_reflns.pdbx_Rsym_value             0.076 
_diffrn_reflns.pdbx_chi_squared            ? 
_diffrn_reflns.pdbx_redundancy             11.40 
_diffrn_reflns.pdbx_rejects                ? 
_diffrn_reflns.pdbx_percent_possible_obs   99.30 
_diffrn_reflns.pdbx_observed_criterion     ? 
_diffrn_reflns.number                      119936 
_diffrn_reflns.limit_h_max                 ? 
_diffrn_reflns.limit_h_min                 ? 
_diffrn_reflns.limit_k_max                 ? 
_diffrn_reflns.limit_k_min                 ? 
_diffrn_reflns.limit_l_max                 ? 
_diffrn_reflns.limit_l_min                 ? 
# 
loop_
_pdbx_diffrn_reflns_shell.diffrn_id 
_pdbx_diffrn_reflns_shell.d_res_high 
_pdbx_diffrn_reflns_shell.d_res_low 
_pdbx_diffrn_reflns_shell.number_obs 
_pdbx_diffrn_reflns_shell.rejects 
_pdbx_diffrn_reflns_shell.Rmerge_I_obs 
_pdbx_diffrn_reflns_shell.Rsym_value 
_pdbx_diffrn_reflns_shell.chi_squared 
_pdbx_diffrn_reflns_shell.redundancy 
_pdbx_diffrn_reflns_shell.percent_possible_obs 
1 6.94 46.49 ? ? 0.032 0.032 ? 10.70 ? 
1 4.91 6.94  ? ? 0.047 0.047 ? 11.60 ? 
1 4.01 4.91  ? ? 0.059 0.059 ? 11.40 ? 
1 3.47 4.01  ? ? 0.052 0.052 ? 11.70 ? 
1 3.10 3.47  ? ? 0.066 0.066 ? 11.40 ? 
1 2.83 3.10  ? ? 0.120 0.120 ? 11.30 ? 
1 2.62 2.83  ? ? 0.193 0.193 ? 11.50 ? 
1 2.45 2.62  ? ? 0.323 0.323 ? 11.20 ? 
1 2.31 2.45  ? ? 0.519 0.519 ? 11.40 ? 
1 2.20 2.31  ? ? 0.833 0.833 ? 11.40 ? 
# 
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        ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? '(phenix.refine: 1.9_1692)' 1 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? SCALA       ? ? ? 3.3.20                      2 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15                        3 
? phasing           ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? .                           4 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    436 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    451 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.18 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 SER A 47  ? ? 134.62  107.22  
2 1 THR A 48  ? ? -116.48 79.60   
3 1 LYS A 74  ? ? -63.93  -131.58 
4 1 SER A 76  ? ? 156.90  -46.24  
5 1 PRO A 79  ? ? 22.50   70.64   
6 1 GLN A 80  ? ? 70.81   50.52   
7 1 ASP A 95  ? ? 69.42   65.47   
8 1 ASP A 180 ? ? 21.23   -66.85  
9 1 SER A 181 ? ? -142.31 -9.28   
# 
_pdbx_validate_peptide_omega.id               1 
_pdbx_validate_peptide_omega.PDB_model_num    1 
_pdbx_validate_peptide_omega.auth_comp_id_1   ALA 
_pdbx_validate_peptide_omega.auth_asym_id_1   A 
_pdbx_validate_peptide_omega.auth_seq_id_1    75 
_pdbx_validate_peptide_omega.PDB_ins_code_1   ? 
_pdbx_validate_peptide_omega.label_alt_id_1   ? 
_pdbx_validate_peptide_omega.auth_comp_id_2   SER 
_pdbx_validate_peptide_omega.auth_asym_id_2   A 
_pdbx_validate_peptide_omega.auth_seq_id_2    76 
_pdbx_validate_peptide_omega.PDB_ins_code_2   ? 
_pdbx_validate_peptide_omega.label_alt_id_2   ? 
_pdbx_validate_peptide_omega.omega            143.99 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A LYS 141 ? CG ? A LYS 153 CG 
2 1 Y 1 A LYS 141 ? CD ? A LYS 153 CD 
3 1 Y 1 A LYS 141 ? CE ? A LYS 153 CE 
4 1 Y 1 A LYS 141 ? NZ ? A LYS 153 NZ 
# 
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 -11 ? A MET 1   
2  1 Y 1 A ARG -10 ? A ARG 2   
3  1 Y 1 A GLY -9  ? A GLY 3   
4  1 Y 1 A SER -8  ? A SER 4   
5  1 Y 1 A HIS -7  ? A HIS 5   
6  1 Y 1 A HIS -6  ? A HIS 6   
7  1 Y 1 A HIS -5  ? A HIS 7   
8  1 Y 1 A HIS -4  ? A HIS 8   
9  1 Y 1 A HIS -3  ? A HIS 9   
10 1 Y 1 A HIS -2  ? A HIS 10  
11 1 Y 1 A GLY -1  ? A GLY 11  
12 1 Y 1 A SER 0   ? A SER 12  
13 1 Y 1 A ASP 29  ? A ASP 41  
14 1 Y 1 A ILE 30  ? A ILE 42  
15 1 Y 1 A ASP 31  ? A ASP 43  
16 1 Y 1 A GLN 32  ? A GLN 44  
17 1 Y 1 A ALA 33  ? A ALA 45  
18 1 Y 1 A PRO 34  ? A PRO 46  
19 1 Y 1 A ALA 35  ? A ALA 47  
20 1 Y 1 A GLU 36  ? A GLU 48  
21 1 Y 1 A THR 37  ? A THR 49  
22 1 Y 1 A LYS 38  ? A LYS 50  
23 1 Y 1 A ASP 39  ? A ASP 51  
24 1 Y 1 A ARG 40  ? A ARG 52  
25 1 Y 1 A GLY 41  ? A GLY 53  
26 1 Y 1 A SER 42  ? A SER 54  
27 1 Y 1 A PHE 43  ? A PHE 55  
28 1 Y 1 A SER 44  ? A SER 56  
29 1 Y 1 A SER 127 ? A SER 139 
30 1 Y 1 A GLY 128 ? A GLY 140 
31 1 Y 1 A LYS 129 ? A LYS 141 
32 1 Y 1 A SER 130 ? A SER 142 
33 1 Y 1 A MET 131 ? A MET 143 
34 1 Y 1 A THR 132 ? A THR 144 
35 1 Y 1 A GLU 133 ? A GLU 145 
36 1 Y 1 A ASN 134 ? A ASN 146 
37 1 Y 1 A HIS 135 ? A HIS 147 
38 1 Y 1 A GLN 136 ? A GLN 148 
39 1 Y 1 A GLY 137 ? A GLY 149 
40 1 Y 1 A TYR 183 ? A TYR 195 
41 1 Y 1 A MET 184 ? A MET 196 
42 1 Y 1 A SER 185 ? A SER 197 
43 1 Y 1 A ASP 186 ? A ASP 198 
44 1 Y 1 A ALA 187 ? A ALA 199 
45 1 Y 1 A PRO 188 ? A PRO 200 
46 1 Y 1 A MET 189 ? A MET 201 
47 1 Y 1 A VAL 190 ? A VAL 202 
48 1 Y 1 A ASP 191 ? A ASP 203 
49 1 Y 1 A THR 192 ? A THR 204 
50 1 Y 1 A VAL 193 ? A VAL 205 
51 1 Y 1 A GLY 194 ? A GLY 206 
52 1 Y 1 A VAL 195 ? A VAL 207 
53 1 Y 1 A MET 196 ? A MET 208 
54 1 Y 1 A ASP 197 ? A ASP 209 
55 1 Y 1 A SER 198 ? A SER 210 
56 1 Y 1 A ASN 199 ? A ASN 211 
57 1 Y 1 A ASP 200 ? A ASP 212 
58 1 Y 1 A MET 201 ? A MET 213 
59 1 Y 1 A LEU 202 ? A LEU 214 
60 1 Y 1 A LEU 203 ? A LEU 215 
61 1 Y 1 A ALA 204 ? A ALA 216 
62 1 Y 1 A ALA 205 ? A ALA 217 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
MEXT/JSPS Japan 25291015 1 
MEXT/JSPS Japan 25410176 2 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'PROTOPORPHYRIN IX CONTAINING FE' HEM 
3 'SULFATE ION'                     SO4 
4 water                             HOH 
# 