data_9GGO
# 
_entry.id   9GGO 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9GGO         pdb_00009ggo 10.2210/pdb9ggo/pdb 
WWPDB D_1292140532 ?            ?                   
# 
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 2025-01-15 
2 'Structure model' 1 1 2025-02-05 
# 
_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             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
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 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
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  2 'Structure model' '_citation.country'                 
2  2 'Structure model' '_citation.journal_abbrev'          
3  2 'Structure model' '_citation.journal_id_ISSN'         
4  2 'Structure model' '_citation.journal_volume'          
5  2 'Structure model' '_citation.page_first'              
6  2 'Structure model' '_citation.page_last'               
7  2 'Structure model' '_citation.pdbx_database_id_PubMed' 
8  2 'Structure model' '_citation.title'                   
9  2 'Structure model' '_citation_author.identifier_ORCID' 
10 2 'Structure model' '_citation_author.name'             
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9GGO 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-13 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              irmi.sinning@bzh.uni-heidelberg.de 
_pdbx_contact_author.name_first         Irmgard 
_pdbx_contact_author.name_last          Sinning 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-9127-4477 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Schwan, M.'  1 0000-0003-3089-6963 
'Kopp, J.'    2 0000-0001-5633-7399 
'Sinning, I.' 3 0000-0001-9127-4477 
# 
_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            'Acs Cent.Sci.' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2374-7951 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            11 
_citation.language                  ? 
_citation.page_first                157 
_citation.page_last                 166 
_citation.title                     'Strand-Swapped SH3 Domain Dimer with Superoxide Dismutase Activity.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acscentsci.4c01347 
_citation.pdbx_database_id_PubMed   39866698 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Hage, F.R.'           1 ? 
primary 'Schwan, M.'           2 ? 
primary 'Conde Gonzalez, M.R.' 3 ? 
primary 'Huber, J.'            4 ? 
primary 'Germer, S.'           5 ? 
primary 'Macri, M.'            6 ? 
primary 'Kopp, J.'             7 ? 
primary 'Sinning, I.'          8 ? 
primary 'Thomas, F.'           9 ? 
# 
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     syn 'SH3-like protein' 6813.684 1  ? ? ? ? 
2 non-polymer syn 'COPPER (II) ION'  63.546   2  ? ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL     62.068   2  ? ? ? ? 
4 water       nat water              18.015   20 ? ? ? ? 
# 
_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       AEYVRALFDHTGHDEQELPFKKGEILRIRDKPEEQLWNAENVEGKRGLIHVVLVEKYG 
_entity_poly.pdbx_seq_one_letter_code_can   AEYVRALFDHTGHDEQELPFKKGEILRIRDKPEEQLWNAENVEGKRGLIHVVLVEKYG 
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'COPPER (II) ION' CU  
3 1,2-ETHANEDIOL    EDO 
4 water             HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  ALA n 
1 2  GLU n 
1 3  TYR n 
1 4  VAL n 
1 5  ARG n 
1 6  ALA n 
1 7  LEU n 
1 8  PHE n 
1 9  ASP n 
1 10 HIS n 
1 11 THR n 
1 12 GLY n 
1 13 HIS n 
1 14 ASP n 
1 15 GLU n 
1 16 GLN n 
1 17 GLU n 
1 18 LEU n 
1 19 PRO n 
1 20 PHE n 
1 21 LYS n 
1 22 LYS n 
1 23 GLY n 
1 24 GLU n 
1 25 ILE n 
1 26 LEU n 
1 27 ARG n 
1 28 ILE n 
1 29 ARG n 
1 30 ASP n 
1 31 LYS n 
1 32 PRO n 
1 33 GLU n 
1 34 GLU n 
1 35 GLN n 
1 36 LEU n 
1 37 TRP n 
1 38 ASN n 
1 39 ALA n 
1 40 GLU n 
1 41 ASN n 
1 42 VAL n 
1 43 GLU n 
1 44 GLY n 
1 45 LYS n 
1 46 ARG n 
1 47 GLY n 
1 48 LEU n 
1 49 ILE n 
1 50 HIS n 
1 51 VAL n 
1 52 VAL n 
1 53 LEU n 
1 54 VAL n 
1 55 GLU n 
1 56 LYS n 
1 57 TYR n 
1 58 GLY n 
# 
_pdbx_entity_src_syn.entity_id              1 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       58 
_pdbx_entity_src_syn.organism_scientific    'Homo sapiens' 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       9606 
_pdbx_entity_src_syn.details                ? 
# 
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 
CU  non-polymer         . 'COPPER (II) ION' ?                 'Cu 2'           63.546  
EDO non-polymer         . 1,2-ETHANEDIOL    'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE         ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'   ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE           ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE         ?                 'C6 H10 N3 O2 1' 156.162 
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 
PHE 'L-peptide linking' y PHENYLALANINE     ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE           ?                 'C5 H9 N O2'     115.130 
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 
# 
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  ALA 1  1  1  ALA ALA A . n 
A 1 2  GLU 2  2  2  GLU GLU A . n 
A 1 3  TYR 3  3  3  TYR TYR A . n 
A 1 4  VAL 4  4  4  VAL VAL A . n 
A 1 5  ARG 5  5  5  ARG ARG A . n 
A 1 6  ALA 6  6  6  ALA ALA A . n 
A 1 7  LEU 7  7  7  LEU LEU A . n 
A 1 8  PHE 8  8  8  PHE PHE A . n 
A 1 9  ASP 9  9  9  ASP ASP A . n 
A 1 10 HIS 10 10 10 HIS HIS A . n 
A 1 11 THR 11 11 11 THR THR A . n 
A 1 12 GLY 12 12 12 GLY GLY A . n 
A 1 13 HIS 13 13 13 HIS HIS A . n 
A 1 14 ASP 14 14 14 ASP ASP A . n 
A 1 15 GLU 15 15 15 GLU GLU A . n 
A 1 16 GLN 16 16 16 GLN GLN A . n 
A 1 17 GLU 17 17 17 GLU GLU A . n 
A 1 18 LEU 18 18 18 LEU LEU A . n 
A 1 19 PRO 19 19 19 PRO PRO A . n 
A 1 20 PHE 20 20 20 PHE PHE A . n 
A 1 21 LYS 21 21 21 LYS LYS A . n 
A 1 22 LYS 22 22 22 LYS LYS A . n 
A 1 23 GLY 23 23 23 GLY GLY A . n 
A 1 24 GLU 24 24 24 GLU GLU A . n 
A 1 25 ILE 25 25 25 ILE ILE A . n 
A 1 26 LEU 26 26 26 LEU LEU A . n 
A 1 27 ARG 27 27 27 ARG ARG A . n 
A 1 28 ILE 28 28 28 ILE ILE A . n 
A 1 29 ARG 29 29 29 ARG ARG A . n 
A 1 30 ASP 30 30 30 ASP ASP A . n 
A 1 31 LYS 31 31 31 LYS LYS A . n 
A 1 32 PRO 32 32 32 PRO PRO A . n 
A 1 33 GLU 33 33 33 GLU GLU A . n 
A 1 34 GLU 34 34 34 GLU GLU A . n 
A 1 35 GLN 35 35 35 GLN GLN A . n 
A 1 36 LEU 36 36 36 LEU LEU A . n 
A 1 37 TRP 37 37 37 TRP TRP A . n 
A 1 38 ASN 38 38 38 ASN ASN A . n 
A 1 39 ALA 39 39 39 ALA ALA A . n 
A 1 40 GLU 40 40 40 GLU GLU A . n 
A 1 41 ASN 41 41 41 ASN ASN A . n 
A 1 42 VAL 42 42 42 VAL VAL A . n 
A 1 43 GLU 43 43 43 GLU GLU A . n 
A 1 44 GLY 44 44 44 GLY GLY A . n 
A 1 45 LYS 45 45 45 LYS LYS A . n 
A 1 46 ARG 46 46 46 ARG ARG A . n 
A 1 47 GLY 47 47 47 GLY GLY A . n 
A 1 48 LEU 48 48 48 LEU LEU A . n 
A 1 49 ILE 49 49 49 ILE ILE A . n 
A 1 50 HIS 50 50 50 HIS HIS A . n 
A 1 51 VAL 51 51 51 VAL VAL A . n 
A 1 52 VAL 52 52 52 VAL VAL A . n 
A 1 53 LEU 53 53 53 LEU LEU A . n 
A 1 54 VAL 54 54 54 VAL VAL A . n 
A 1 55 GLU 55 55 55 GLU GLU A . n 
A 1 56 LYS 56 56 56 LYS LYS A . n 
A 1 57 TYR 57 57 57 TYR TYR A . n 
A 1 58 GLY 58 58 58 GLY GLY A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        CU 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   CU 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
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 CU  1  101 61  CU  CU  A . 
C 2 CU  1  102 62  CU  CU  A . 
D 3 EDO 1  103 101 EDO EDO A . 
E 3 EDO 1  104 102 EDO EDO A . 
F 4 HOH 1  201 2   HOH HOH A . 
F 4 HOH 2  202 19  HOH HOH A . 
F 4 HOH 3  203 6   HOH HOH A . 
F 4 HOH 4  204 17  HOH HOH A . 
F 4 HOH 5  205 7   HOH HOH A . 
F 4 HOH 6  206 18  HOH HOH A . 
F 4 HOH 7  207 10  HOH HOH A . 
F 4 HOH 8  208 14  HOH HOH A . 
F 4 HOH 9  209 5   HOH HOH A . 
F 4 HOH 10 210 3   HOH HOH A . 
F 4 HOH 11 211 11  HOH HOH A . 
F 4 HOH 12 212 24  HOH HOH A . 
F 4 HOH 13 213 4   HOH HOH A . 
F 4 HOH 14 214 9   HOH HOH A . 
F 4 HOH 15 215 1   HOH HOH A . 
F 4 HOH 16 216 25  HOH HOH A . 
F 4 HOH 17 217 12  HOH HOH A . 
F 4 HOH 18 218 22  HOH HOH A . 
F 4 HOH 19 219 13  HOH HOH A . 
F 4 HOH 20 220 21  HOH HOH A . 
# 
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  ? ? ? 1.21_5207 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? 20230630  2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? 1.12.16   3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? 2.8.3     4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GGO 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     56.509 
_cell.length_a_esd                 ? 
_cell.length_b                     56.509 
_cell.length_b_esd                 ? 
_cell.length_c                     58.778 
_cell.length_c_esd                 ? 
_cell.volume                       162547.644 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9GGO 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                152 
_symmetry.space_group_name_Hall            
;P 31 2"
;
_symmetry.space_group_name_H-M             'P 31 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_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                   9GGO 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             3.98 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          69.06 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              8.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;Reservoir: 1.26 M ammonium sulfate, 0.1 M CHES pH 9.5, 0.2 M sodium chloride. Drops contained 300 nL reservoir solution and 300 nL concentrated protein.
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 S 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-09-23 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    'Si(1,1,1)' 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.3694 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE ID23-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.3694 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID23-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          37.98 
_reflns.entry_id                                       9GGO 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.00 
_reflns.d_resolution_low                               37.61 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     15348 
_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 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                20.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          12.3 
_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                                ? 
_reflns.pdbx_Rpim_I_all                                0.038 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.162 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.00 
_reflns_shell.d_res_low                                     2.05 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.5 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1092 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               0.653 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.833 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  2.814 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_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                                ? 
_refine.B_iso_mean                               48.01 
_refine.B_iso_min                                ? 
_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                                 9GGO 
_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                            2.00 
_refine.ls_d_res_low                             37.61 
_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                     14168 
_refine.ls_number_reflns_R_free                  705 
_refine.ls_number_reflns_R_work                  13463 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.78 
_refine.ls_percent_reflns_R_free                 4.98 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2046 
_refine.ls_R_factor_R_free                       0.2274 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2034 
_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.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.33 
_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          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_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             1.1000 
_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                 36.5019 
_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                            0.1802 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.00 
_refine_hist.d_res_low                        37.61 
_refine_hist.number_atoms_solvent             20 
_refine_hist.number_atoms_total               511 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        481 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         10 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0040  ? 497 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.6403  ? 664 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0436  ? 68  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0048  ? 87  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 15.2028 ? 190 ? 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_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_R_complete 
_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 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.00 2.15  . . 110 2741 99.76 . . . . 0.3375 . . . . . . . . . . . 0.3532 
'X-RAY DIFFRACTION' 2.16 2.37  . . 186 2640 99.89 . . . . 0.3094 . . . . . . . . . . . 0.3057 
'X-RAY DIFFRACTION' 2.37 2.71  . . 166 2689 99.93 . . . . 0.2759 . . . . . . . . . . . 0.3211 
'X-RAY DIFFRACTION' 2.72 3.42  . . 114 2688 99.64 . . . . 0.2093 . . . . . . . . . . . 0.1925 
'X-RAY DIFFRACTION' 3.42 37.61 . . 129 2705 99.68 . . . . 0.1500 . . . . . . . . . . . 0.1844 
# 
_struct.entry_id                     9GGO 
_struct.title                        'Strand-swapped dimer of engineered copper binding SH3-like protein' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9GGO 
_struct_keywords.text            'protein design, metal binding site, SH3-like domain, METAL BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'METAL 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 2 ? 
D N N 3 ? 
E N N 3 ? 
F N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    9GGO 
_struct_ref.pdbx_db_accession          9GGO 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   ? 
_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              9GGO 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 58 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             9GGO 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  58 
_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       58 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
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)' 6340 ? 
1 MORE         -61  ? 
1 'SSA (A^2)'  6930 ? 
# 
_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,E,F 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
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' 6_554 -x,-x+y,-z-2/3 -0.5000000000 -0.8660254038 0.0000000000 0.0000000000 -0.8660254038 
0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 -39.1853333333 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       LYS 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        31 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       GLU 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        34 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        LYS 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         31 
_struct_conf.end_auth_comp_id        GLU 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         34 
_struct_conf.pdbx_PDB_helix_class    5 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1 metalc ? ? A HIS 10 NE2 ? ? ? 1_555 B CU . CU ? ? A HIS 10 A CU 101 1_555 ? ? ? ? ? ? ? 2.064 ? ? 
metalc2 metalc ? ? A HIS 13 NE2 ? ? ? 1_555 B CU . CU ? ? A HIS 13 A CU 101 1_555 ? ? ? ? ? ? ? 2.146 ? ? 
metalc3 metalc ? ? A GLU 15 OE1 ? ? ? 1_555 C CU . CU ? ? A GLU 15 A CU 102 1_555 ? ? ? ? ? ? ? 2.545 ? ? 
metalc4 metalc ? ? A GLU 17 OE2 ? ? ? 1_555 C CU . CU ? ? A GLU 17 A CU 102 6_554 ? ? ? ? ? ? ? 2.324 ? ? 
metalc5 metalc ? ? A HIS 50 NE2 ? ? ? 1_555 C CU . CU ? ? A HIS 50 A CU 102 1_555 ? ? ? ? ? ? ? 2.079 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
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 10 ? A HIS 10 ? 1_555 CU ? B CU . ? A CU 101 ? 1_555 NE2 ? A HIS 13 ? A HIS 13 ? 1_555 112.5 ? 
2 OE1 ? A GLU 15 ? A GLU 15 ? 1_555 CU ? C CU . ? A CU 102 ? 1_555 OE2 ? A GLU 17 ? A GLU 17 ? 1_555 41.8  ? 
3 OE1 ? A GLU 15 ? A GLU 15 ? 1_555 CU ? C CU . ? A CU 102 ? 1_555 NE2 ? A HIS 50 ? A HIS 50 ? 1_555 130.3 ? 
4 OE2 ? A GLU 17 ? A GLU 17 ? 1_555 CU ? C CU . ? A CU 102 ? 1_555 NE2 ? A HIS 50 ? A HIS 50 ? 1_555 97.4  ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 2 ? 
AA2 ? 2 ? 
# 
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 
AA2 1 2 ? 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 VAL A 4  ? ALA A 6  ? VAL A 4  ALA A 6  
AA1 2 VAL A 54 ? LYS A 56 ? VAL A 54 LYS A 56 
AA2 1 LEU A 36 ? GLU A 40 ? LEU A 36 GLU A 40 
AA2 2 ARG A 46 ? HIS A 50 ? ARG A 46 HIS A 50 
# 
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 ARG A 5  ? N ARG A 5  O GLU A 55 ? O GLU A 55 
AA2 1 2 N ALA A 39 ? N ALA A 39 O GLY A 47 ? O GLY A 47 
# 
_pdbx_entry_details.entry_id                   9GGO 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    HIS 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     13 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -179.60 
_pdbx_validate_torsion.psi             -176.65 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z          
2 -y,x-y,z+1/3   
3 -x+y,-x,z+2/3  
4 x-y,-y,-z+2/3  
5 -x,-x+y,-z+1/3 
6 y,x,-z         
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -26.6199589996 17.1319219306 -17.1182968073 0.326387855014 ? -0.00835712734047 ? 0.0208535191643   
? 0.390324728277 ? -0.0316485618203   ? 0.407593892757 ? 0.138643496107 ? -0.144516472881  ? -0.097187532674  ? 0.152040257755  ? 
0.11653821077    ? 0.795911216648  ? 0.0603125428163  ? -0.268230927932  ? 0.0605729499341  ? 0.0159615524724 ? -0.0144975224532 ? 
0.0918878497902  ? -0.37363907247   ? -0.673267350963  ? -0.00147731871379  ? 
2 'X-RAY DIFFRACTION' ? refined -10.4763291856 12.8861656145 -21.8796675363 0.607839473315 ? 0.0175986834753   ? 0.1218073972      
? 0.593068107118 ? -0.000747863452744 ? 0.570624185069 ? 0.180628506506 ? 0.128497177194   ? -0.0580186589139 ? 0.104585271857  ? 
-0.0630246770902 ? 0.0518339807241 ? 0.211224270295   ? 0.217542849471   ? 0.128973751538   ? -0.128311270315 ? 0.153452019009   ? 
-0.253767375505  ? -0.0487651403856 ? 0.107806076292   ? -0.000934253725312 ? 
3 'X-RAY DIFFRACTION' ? refined -3.73443758108 27.738567816  -26.0332933966 0.367256003734 ? -0.0573761221647  ? -0.0014247868899  
? 0.477851684053 ? 0.0180811391       ? 0.39664457091  ? 0.148532873732 ? 0.104574182534   ? -0.176398989739  ? 0.0753424326911 ? 
-0.115425184829  ? 0.2069886265    ? -0.0166610892277 ? 0.423726181997   ? 0.00257472704691 ? -0.169581131007 ? 0.0946509642306  ? 
-0.0131908731815 ? 0.0716724090678  ? -0.0950224704354 ? -0.000126283968551 ? 
4 'X-RAY DIFFRACTION' ? refined -21.1174081108 19.5280565992 -16.850333058  0.402320335499 ? 0.00492116182514  ? -0.00462079544311 
? 0.454772477212 ? 0.0477009253285    ? 0.345329406164 ? 0.172191299784 ? -0.0123376023252 ? 0.105038499071   ? 0.334626904561  ? 
0.0757652140727  ? 0.279844888454  ? -0.0442645813601 ? -0.0591583676638 ? 0.138356036027   ? 0.136346338616  ? -0.0786931150476 ? 
-0.0462922660002 ? -0.194301274346  ? -0.0141206493853 ? -0.000306552237918 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 A 1  A 1  ? A 11 A 11 ? ? 
;chain 'A' and (resid 1 through 11 )
;
2 'X-RAY DIFFRACTION' 2 A 12 A 12 ? A 16 A 16 ? ? 
;chain 'A' and (resid 12 through 16 )
;
3 'X-RAY DIFFRACTION' 3 A 17 A 17 ? A 31 A 31 ? ? 
;chain 'A' and (resid 17 through 31 )
;
4 'X-RAY DIFFRACTION' 4 A 32 A 32 ? A 58 A 58 ? ? 
;chain 'A' and (resid 32 through 58 )
;
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
CU  CU   CU N N 74  
EDO C1   C  N N 75  
EDO O1   O  N N 76  
EDO C2   C  N N 77  
EDO O2   O  N N 78  
EDO H11  H  N N 79  
EDO H12  H  N N 80  
EDO HO1  H  N N 81  
EDO H21  H  N N 82  
EDO H22  H  N N 83  
EDO HO2  H  N N 84  
GLN N    N  N N 85  
GLN CA   C  N S 86  
GLN C    C  N N 87  
GLN O    O  N N 88  
GLN CB   C  N N 89  
GLN CG   C  N N 90  
GLN CD   C  N N 91  
GLN OE1  O  N N 92  
GLN NE2  N  N N 93  
GLN OXT  O  N N 94  
GLN H    H  N N 95  
GLN H2   H  N N 96  
GLN HA   H  N N 97  
GLN HB2  H  N N 98  
GLN HB3  H  N N 99  
GLN HG2  H  N N 100 
GLN HG3  H  N N 101 
GLN HE21 H  N N 102 
GLN HE22 H  N N 103 
GLN HXT  H  N N 104 
GLU N    N  N N 105 
GLU CA   C  N S 106 
GLU C    C  N N 107 
GLU O    O  N N 108 
GLU CB   C  N N 109 
GLU CG   C  N N 110 
GLU CD   C  N N 111 
GLU OE1  O  N N 112 
GLU OE2  O  N N 113 
GLU OXT  O  N N 114 
GLU H    H  N N 115 
GLU H2   H  N N 116 
GLU HA   H  N N 117 
GLU HB2  H  N N 118 
GLU HB3  H  N N 119 
GLU HG2  H  N N 120 
GLU HG3  H  N N 121 
GLU HE2  H  N N 122 
GLU HXT  H  N N 123 
GLY N    N  N N 124 
GLY CA   C  N N 125 
GLY C    C  N N 126 
GLY O    O  N N 127 
GLY OXT  O  N N 128 
GLY H    H  N N 129 
GLY H2   H  N N 130 
GLY HA2  H  N N 131 
GLY HA3  H  N N 132 
GLY HXT  H  N N 133 
HIS N    N  N N 134 
HIS CA   C  N S 135 
HIS C    C  N N 136 
HIS O    O  N N 137 
HIS CB   C  N N 138 
HIS CG   C  Y N 139 
HIS ND1  N  Y N 140 
HIS CD2  C  Y N 141 
HIS CE1  C  Y N 142 
HIS NE2  N  Y N 143 
HIS OXT  O  N N 144 
HIS H    H  N N 145 
HIS H2   H  N N 146 
HIS HA   H  N N 147 
HIS HB2  H  N N 148 
HIS HB3  H  N N 149 
HIS HD1  H  N N 150 
HIS HD2  H  N N 151 
HIS HE1  H  N N 152 
HIS HE2  H  N N 153 
HIS HXT  H  N N 154 
HOH O    O  N N 155 
HOH H1   H  N N 156 
HOH H2   H  N N 157 
ILE N    N  N N 158 
ILE CA   C  N S 159 
ILE C    C  N N 160 
ILE O    O  N N 161 
ILE CB   C  N S 162 
ILE CG1  C  N N 163 
ILE CG2  C  N N 164 
ILE CD1  C  N N 165 
ILE OXT  O  N N 166 
ILE H    H  N N 167 
ILE H2   H  N N 168 
ILE HA   H  N N 169 
ILE HB   H  N N 170 
ILE HG12 H  N N 171 
ILE HG13 H  N N 172 
ILE HG21 H  N N 173 
ILE HG22 H  N N 174 
ILE HG23 H  N N 175 
ILE HD11 H  N N 176 
ILE HD12 H  N N 177 
ILE HD13 H  N N 178 
ILE HXT  H  N N 179 
LEU N    N  N N 180 
LEU CA   C  N S 181 
LEU C    C  N N 182 
LEU O    O  N N 183 
LEU CB   C  N N 184 
LEU CG   C  N N 185 
LEU CD1  C  N N 186 
LEU CD2  C  N N 187 
LEU OXT  O  N N 188 
LEU H    H  N N 189 
LEU H2   H  N N 190 
LEU HA   H  N N 191 
LEU HB2  H  N N 192 
LEU HB3  H  N N 193 
LEU HG   H  N N 194 
LEU HD11 H  N N 195 
LEU HD12 H  N N 196 
LEU HD13 H  N N 197 
LEU HD21 H  N N 198 
LEU HD22 H  N N 199 
LEU HD23 H  N N 200 
LEU HXT  H  N N 201 
LYS N    N  N N 202 
LYS CA   C  N S 203 
LYS C    C  N N 204 
LYS O    O  N N 205 
LYS CB   C  N N 206 
LYS CG   C  N N 207 
LYS CD   C  N N 208 
LYS CE   C  N N 209 
LYS NZ   N  N N 210 
LYS OXT  O  N N 211 
LYS H    H  N N 212 
LYS H2   H  N N 213 
LYS HA   H  N N 214 
LYS HB2  H  N N 215 
LYS HB3  H  N N 216 
LYS HG2  H  N N 217 
LYS HG3  H  N N 218 
LYS HD2  H  N N 219 
LYS HD3  H  N N 220 
LYS HE2  H  N N 221 
LYS HE3  H  N N 222 
LYS HZ1  H  N N 223 
LYS HZ2  H  N N 224 
LYS HZ3  H  N N 225 
LYS HXT  H  N N 226 
PHE N    N  N N 227 
PHE CA   C  N S 228 
PHE C    C  N N 229 
PHE O    O  N N 230 
PHE CB   C  N N 231 
PHE CG   C  Y N 232 
PHE CD1  C  Y N 233 
PHE CD2  C  Y N 234 
PHE CE1  C  Y N 235 
PHE CE2  C  Y N 236 
PHE CZ   C  Y N 237 
PHE OXT  O  N N 238 
PHE H    H  N N 239 
PHE H2   H  N N 240 
PHE HA   H  N N 241 
PHE HB2  H  N N 242 
PHE HB3  H  N N 243 
PHE HD1  H  N N 244 
PHE HD2  H  N N 245 
PHE HE1  H  N N 246 
PHE HE2  H  N N 247 
PHE HZ   H  N N 248 
PHE HXT  H  N N 249 
PRO N    N  N N 250 
PRO CA   C  N S 251 
PRO C    C  N N 252 
PRO O    O  N N 253 
PRO CB   C  N N 254 
PRO CG   C  N N 255 
PRO CD   C  N N 256 
PRO OXT  O  N N 257 
PRO H    H  N N 258 
PRO HA   H  N N 259 
PRO HB2  H  N N 260 
PRO HB3  H  N N 261 
PRO HG2  H  N N 262 
PRO HG3  H  N N 263 
PRO HD2  H  N N 264 
PRO HD3  H  N N 265 
PRO HXT  H  N N 266 
THR N    N  N N 267 
THR CA   C  N S 268 
THR C    C  N N 269 
THR O    O  N N 270 
THR CB   C  N R 271 
THR OG1  O  N N 272 
THR CG2  C  N N 273 
THR OXT  O  N N 274 
THR H    H  N N 275 
THR H2   H  N N 276 
THR HA   H  N N 277 
THR HB   H  N N 278 
THR HG1  H  N N 279 
THR HG21 H  N N 280 
THR HG22 H  N N 281 
THR HG23 H  N N 282 
THR HXT  H  N N 283 
TRP N    N  N N 284 
TRP CA   C  N S 285 
TRP C    C  N N 286 
TRP O    O  N N 287 
TRP CB   C  N N 288 
TRP CG   C  Y N 289 
TRP CD1  C  Y N 290 
TRP CD2  C  Y N 291 
TRP NE1  N  Y N 292 
TRP CE2  C  Y N 293 
TRP CE3  C  Y N 294 
TRP CZ2  C  Y N 295 
TRP CZ3  C  Y N 296 
TRP CH2  C  Y N 297 
TRP OXT  O  N N 298 
TRP H    H  N N 299 
TRP H2   H  N N 300 
TRP HA   H  N N 301 
TRP HB2  H  N N 302 
TRP HB3  H  N N 303 
TRP HD1  H  N N 304 
TRP HE1  H  N N 305 
TRP HE3  H  N N 306 
TRP HZ2  H  N N 307 
TRP HZ3  H  N N 308 
TRP HH2  H  N N 309 
TRP HXT  H  N N 310 
TYR N    N  N N 311 
TYR CA   C  N S 312 
TYR C    C  N N 313 
TYR O    O  N N 314 
TYR CB   C  N N 315 
TYR CG   C  Y N 316 
TYR CD1  C  Y N 317 
TYR CD2  C  Y N 318 
TYR CE1  C  Y N 319 
TYR CE2  C  Y N 320 
TYR CZ   C  Y N 321 
TYR OH   O  N N 322 
TYR OXT  O  N N 323 
TYR H    H  N N 324 
TYR H2   H  N N 325 
TYR HA   H  N N 326 
TYR HB2  H  N N 327 
TYR HB3  H  N N 328 
TYR HD1  H  N N 329 
TYR HD2  H  N N 330 
TYR HE1  H  N N 331 
TYR HE2  H  N N 332 
TYR HH   H  N N 333 
TYR HXT  H  N N 334 
VAL N    N  N N 335 
VAL CA   C  N S 336 
VAL C    C  N N 337 
VAL O    O  N N 338 
VAL CB   C  N N 339 
VAL CG1  C  N N 340 
VAL CG2  C  N N 341 
VAL OXT  O  N N 342 
VAL H    H  N N 343 
VAL H2   H  N N 344 
VAL HA   H  N N 345 
VAL HB   H  N N 346 
VAL HG11 H  N N 347 
VAL HG12 H  N N 348 
VAL HG13 H  N N 349 
VAL HG21 H  N N 350 
VAL HG22 H  N N 351 
VAL HG23 H  N N 352 
VAL HXT  H  N N 353 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
EDO C1  O1   sing N N 70  
EDO C1  C2   sing N N 71  
EDO C1  H11  sing N N 72  
EDO C1  H12  sing N N 73  
EDO O1  HO1  sing N N 74  
EDO C2  O2   sing N N 75  
EDO C2  H21  sing N N 76  
EDO C2  H22  sing N N 77  
EDO O2  HO2  sing N N 78  
GLN N   CA   sing N N 79  
GLN N   H    sing N N 80  
GLN N   H2   sing N N 81  
GLN CA  C    sing N N 82  
GLN CA  CB   sing N N 83  
GLN CA  HA   sing N N 84  
GLN C   O    doub N N 85  
GLN C   OXT  sing N N 86  
GLN CB  CG   sing N N 87  
GLN CB  HB2  sing N N 88  
GLN CB  HB3  sing N N 89  
GLN CG  CD   sing N N 90  
GLN CG  HG2  sing N N 91  
GLN CG  HG3  sing N N 92  
GLN CD  OE1  doub N N 93  
GLN CD  NE2  sing N N 94  
GLN NE2 HE21 sing N N 95  
GLN NE2 HE22 sing N N 96  
GLN OXT HXT  sing N N 97  
GLU N   CA   sing N N 98  
GLU N   H    sing N N 99  
GLU N   H2   sing N N 100 
GLU CA  C    sing N N 101 
GLU CA  CB   sing N N 102 
GLU CA  HA   sing N N 103 
GLU C   O    doub N N 104 
GLU C   OXT  sing N N 105 
GLU CB  CG   sing N N 106 
GLU CB  HB2  sing N N 107 
GLU CB  HB3  sing N N 108 
GLU CG  CD   sing N N 109 
GLU CG  HG2  sing N N 110 
GLU CG  HG3  sing N N 111 
GLU CD  OE1  doub N N 112 
GLU CD  OE2  sing N N 113 
GLU OE2 HE2  sing N N 114 
GLU OXT HXT  sing N N 115 
GLY N   CA   sing N N 116 
GLY N   H    sing N N 117 
GLY N   H2   sing N N 118 
GLY CA  C    sing N N 119 
GLY CA  HA2  sing N N 120 
GLY CA  HA3  sing N N 121 
GLY C   O    doub N N 122 
GLY C   OXT  sing N N 123 
GLY OXT HXT  sing N N 124 
HIS N   CA   sing N N 125 
HIS N   H    sing N N 126 
HIS N   H2   sing N N 127 
HIS CA  C    sing N N 128 
HIS CA  CB   sing N N 129 
HIS CA  HA   sing N N 130 
HIS C   O    doub N N 131 
HIS C   OXT  sing N N 132 
HIS CB  CG   sing N N 133 
HIS CB  HB2  sing N N 134 
HIS CB  HB3  sing N N 135 
HIS CG  ND1  sing Y N 136 
HIS CG  CD2  doub Y N 137 
HIS ND1 CE1  doub Y N 138 
HIS ND1 HD1  sing N N 139 
HIS CD2 NE2  sing Y N 140 
HIS CD2 HD2  sing N N 141 
HIS CE1 NE2  sing Y N 142 
HIS CE1 HE1  sing N N 143 
HIS NE2 HE2  sing N N 144 
HIS OXT HXT  sing N N 145 
HOH O   H1   sing N N 146 
HOH O   H2   sing N N 147 
ILE N   CA   sing N N 148 
ILE N   H    sing N N 149 
ILE N   H2   sing N N 150 
ILE CA  C    sing N N 151 
ILE CA  CB   sing N N 152 
ILE CA  HA   sing N N 153 
ILE C   O    doub N N 154 
ILE C   OXT  sing N N 155 
ILE CB  CG1  sing N N 156 
ILE CB  CG2  sing N N 157 
ILE CB  HB   sing N N 158 
ILE CG1 CD1  sing N N 159 
ILE CG1 HG12 sing N N 160 
ILE CG1 HG13 sing N N 161 
ILE CG2 HG21 sing N N 162 
ILE CG2 HG22 sing N N 163 
ILE CG2 HG23 sing N N 164 
ILE CD1 HD11 sing N N 165 
ILE CD1 HD12 sing N N 166 
ILE CD1 HD13 sing N N 167 
ILE OXT HXT  sing N N 168 
LEU N   CA   sing N N 169 
LEU N   H    sing N N 170 
LEU N   H2   sing N N 171 
LEU CA  C    sing N N 172 
LEU CA  CB   sing N N 173 
LEU CA  HA   sing N N 174 
LEU C   O    doub N N 175 
LEU C   OXT  sing N N 176 
LEU CB  CG   sing N N 177 
LEU CB  HB2  sing N N 178 
LEU CB  HB3  sing N N 179 
LEU CG  CD1  sing N N 180 
LEU CG  CD2  sing N N 181 
LEU CG  HG   sing N N 182 
LEU CD1 HD11 sing N N 183 
LEU CD1 HD12 sing N N 184 
LEU CD1 HD13 sing N N 185 
LEU CD2 HD21 sing N N 186 
LEU CD2 HD22 sing N N 187 
LEU CD2 HD23 sing N N 188 
LEU OXT HXT  sing N N 189 
LYS N   CA   sing N N 190 
LYS N   H    sing N N 191 
LYS N   H2   sing N N 192 
LYS CA  C    sing N N 193 
LYS CA  CB   sing N N 194 
LYS CA  HA   sing N N 195 
LYS C   O    doub N N 196 
LYS C   OXT  sing N N 197 
LYS CB  CG   sing N N 198 
LYS CB  HB2  sing N N 199 
LYS CB  HB3  sing N N 200 
LYS CG  CD   sing N N 201 
LYS CG  HG2  sing N N 202 
LYS CG  HG3  sing N N 203 
LYS CD  CE   sing N N 204 
LYS CD  HD2  sing N N 205 
LYS CD  HD3  sing N N 206 
LYS CE  NZ   sing N N 207 
LYS CE  HE2  sing N N 208 
LYS CE  HE3  sing N N 209 
LYS NZ  HZ1  sing N N 210 
LYS NZ  HZ2  sing N N 211 
LYS NZ  HZ3  sing N N 212 
LYS OXT HXT  sing N N 213 
PHE N   CA   sing N N 214 
PHE N   H    sing N N 215 
PHE N   H2   sing N N 216 
PHE CA  C    sing N N 217 
PHE CA  CB   sing N N 218 
PHE CA  HA   sing N N 219 
PHE C   O    doub N N 220 
PHE C   OXT  sing N N 221 
PHE CB  CG   sing N N 222 
PHE CB  HB2  sing N N 223 
PHE CB  HB3  sing N N 224 
PHE CG  CD1  doub Y N 225 
PHE CG  CD2  sing Y N 226 
PHE CD1 CE1  sing Y N 227 
PHE CD1 HD1  sing N N 228 
PHE CD2 CE2  doub Y N 229 
PHE CD2 HD2  sing N N 230 
PHE CE1 CZ   doub Y N 231 
PHE CE1 HE1  sing N N 232 
PHE CE2 CZ   sing Y N 233 
PHE CE2 HE2  sing N N 234 
PHE CZ  HZ   sing N N 235 
PHE OXT HXT  sing N N 236 
PRO N   CA   sing N N 237 
PRO N   CD   sing N N 238 
PRO N   H    sing N N 239 
PRO CA  C    sing N N 240 
PRO CA  CB   sing N N 241 
PRO CA  HA   sing N N 242 
PRO C   O    doub N N 243 
PRO C   OXT  sing N N 244 
PRO CB  CG   sing N N 245 
PRO CB  HB2  sing N N 246 
PRO CB  HB3  sing N N 247 
PRO CG  CD   sing N N 248 
PRO CG  HG2  sing N N 249 
PRO CG  HG3  sing N N 250 
PRO CD  HD2  sing N N 251 
PRO CD  HD3  sing N N 252 
PRO OXT HXT  sing N N 253 
THR N   CA   sing N N 254 
THR N   H    sing N N 255 
THR N   H2   sing N N 256 
THR CA  C    sing N N 257 
THR CA  CB   sing N N 258 
THR CA  HA   sing N N 259 
THR C   O    doub N N 260 
THR C   OXT  sing N N 261 
THR CB  OG1  sing N N 262 
THR CB  CG2  sing N N 263 
THR CB  HB   sing N N 264 
THR OG1 HG1  sing N N 265 
THR CG2 HG21 sing N N 266 
THR CG2 HG22 sing N N 267 
THR CG2 HG23 sing N N 268 
THR OXT HXT  sing N N 269 
TRP N   CA   sing N N 270 
TRP N   H    sing N N 271 
TRP N   H2   sing N N 272 
TRP CA  C    sing N N 273 
TRP CA  CB   sing N N 274 
TRP CA  HA   sing N N 275 
TRP C   O    doub N N 276 
TRP C   OXT  sing N N 277 
TRP CB  CG   sing N N 278 
TRP CB  HB2  sing N N 279 
TRP CB  HB3  sing N N 280 
TRP CG  CD1  doub Y N 281 
TRP CG  CD2  sing Y N 282 
TRP CD1 NE1  sing Y N 283 
TRP CD1 HD1  sing N N 284 
TRP CD2 CE2  doub Y N 285 
TRP CD2 CE3  sing Y N 286 
TRP NE1 CE2  sing Y N 287 
TRP NE1 HE1  sing N N 288 
TRP CE2 CZ2  sing Y N 289 
TRP CE3 CZ3  doub Y N 290 
TRP CE3 HE3  sing N N 291 
TRP CZ2 CH2  doub Y N 292 
TRP CZ2 HZ2  sing N N 293 
TRP CZ3 CH2  sing Y N 294 
TRP CZ3 HZ3  sing N N 295 
TRP CH2 HH2  sing N N 296 
TRP OXT HXT  sing N N 297 
TYR N   CA   sing N N 298 
TYR N   H    sing N N 299 
TYR N   H2   sing N N 300 
TYR CA  C    sing N N 301 
TYR CA  CB   sing N N 302 
TYR CA  HA   sing N N 303 
TYR C   O    doub N N 304 
TYR C   OXT  sing N N 305 
TYR CB  CG   sing N N 306 
TYR CB  HB2  sing N N 307 
TYR CB  HB3  sing N N 308 
TYR CG  CD1  doub Y N 309 
TYR CG  CD2  sing Y N 310 
TYR CD1 CE1  sing Y N 311 
TYR CD1 HD1  sing N N 312 
TYR CD2 CE2  doub Y N 313 
TYR CD2 HD2  sing N N 314 
TYR CE1 CZ   doub Y N 315 
TYR CE1 HE1  sing N N 316 
TYR CE2 CZ   sing Y N 317 
TYR CE2 HE2  sing N N 318 
TYR CZ  OH   sing N N 319 
TYR OH  HH   sing N N 320 
TYR OXT HXT  sing N N 321 
VAL N   CA   sing N N 322 
VAL N   H    sing N N 323 
VAL N   H2   sing N N 324 
VAL CA  C    sing N N 325 
VAL CA  CB   sing N N 326 
VAL CA  HA   sing N N 327 
VAL C   O    doub N N 328 
VAL C   OXT  sing N N 329 
VAL CB  CG1  sing N N 330 
VAL CB  CG2  sing N N 331 
VAL CB  HB   sing N N 332 
VAL CG1 HG11 sing N N 333 
VAL CG1 HG12 sing N N 334 
VAL CG1 HG13 sing N N 335 
VAL CG2 HG21 sing N N 336 
VAL CG2 HG22 sing N N 337 
VAL CG2 HG23 sing N N 338 
VAL OXT HXT  sing N N 339 
# 
_pdbx_audit_support.funding_organization   'German Research Foundation (DFG)' 
_pdbx_audit_support.country                Germany 
_pdbx_audit_support.grant_number           'SI 586-6' 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'in silico model' 
_pdbx_initial_refinement_model.source_name      Other 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          colabfold 
# 
_space_group.name_H-M_alt     'P 31 2 1' 
_space_group.name_Hall        
;P 31 2"
;
_space_group.IT_number        152 
_space_group.crystal_system   trigonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    9GGO 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.017696 
_atom_sites.fract_transf_matrix[1][2]   0.010217 
_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]   0.020434 
_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]   0.017013 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C  ? ? 3.54356  2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
CU ? ? 23.42449 5.47274 ? ? 2.18335  24.96234 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H  ? ? 0.51345  0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N  ? ? 4.01032  2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O  ? ? 4.49882  3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
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   . ALA A 1 1  ? -27.18562 27.70884 -14.06059 1.000 86.41492  ? 1   ALA A N   1 
ATOM   2   C  CA  . ALA A 1 1  ? -26.68520 28.66674 -13.08167 1.000 102.88066 ? 1   ALA A CA  1 
ATOM   3   C  C   . ALA A 1 1  ? -25.78820 27.97342 -12.06255 1.000 89.52736  ? 1   ALA A C   1 
ATOM   4   O  O   . ALA A 1 1  ? -24.56368 28.08052 -12.11876 1.000 84.43386  ? 1   ALA A O   1 
ATOM   5   C  CB  . ALA A 1 1  ? -27.84157 29.36699 -12.38559 1.000 89.28134  ? 1   ALA A CB  1 
ATOM   6   N  N   . GLU A 1 2  ? -26.41002 27.26530 -11.12354 1.000 76.37234  ? 2   GLU A N   1 
ATOM   7   C  CA  . GLU A 1 2  ? -25.68584 26.46827 -10.14606 1.000 41.30671  ? 2   GLU A CA  1 
ATOM   8   C  C   . GLU A 1 2  ? -25.75700 24.97706 -10.42023 1.000 39.77705  ? 2   GLU A C   1 
ATOM   9   O  O   . GLU A 1 2  ? -24.79344 24.26484 -10.13623 1.000 44.92250  ? 2   GLU A O   1 
ATOM   10  C  CB  . GLU A 1 2  ? -26.22223 26.74060 -8.73470  1.000 61.35642  ? 2   GLU A CB  1 
ATOM   11  C  CG  . GLU A 1 2  ? -26.13179 28.19552 -8.30460  1.000 76.51713  ? 2   GLU A CG  1 
ATOM   12  C  CD  . GLU A 1 2  ? -24.74915 28.57512 -7.81407  1.000 99.17492  ? 2   GLU A CD  1 
ATOM   13  O  OE1 . GLU A 1 2  ? -24.15435 27.78663 -7.04840  1.000 94.27998  ? 2   GLU A OE1 1 
ATOM   14  O  OE2 . GLU A 1 2  ? -24.25768 29.65996 -8.19445  1.000 95.09482  ? 2   GLU A OE2 1 
ATOM   15  N  N   . TYR A 1 3  ? -26.86176 24.49239 -10.97985 1.000 36.45221  ? 3   TYR A N   1 
ATOM   16  C  CA  . TYR A 1 3  ? -27.06323 23.07063 -11.20607 1.000 35.24157  ? 3   TYR A CA  1 
ATOM   17  C  C   . TYR A 1 3  ? -27.52550 22.84104 -12.63550 1.000 36.02160  ? 3   TYR A C   1 
ATOM   18  O  O   . TYR A 1 3  ? -28.16177 23.70427 -13.24316 1.000 44.62682  ? 3   TYR A O   1 
ATOM   19  C  CB  . TYR A 1 3  ? -28.08611 22.50067 -10.21717 1.000 37.38029  ? 3   TYR A CB  1 
ATOM   20  C  CG  . TYR A 1 3  ? -27.73437 22.79730 -8.77662  1.000 35.10658  ? 3   TYR A CG  1 
ATOM   21  C  CD1 . TYR A 1 3  ? -28.06642 24.00861 -8.19961  1.000 36.07703  ? 3   TYR A CD1 1 
ATOM   22  C  CD2 . TYR A 1 3  ? -27.05880 21.86948 -8.00211  1.000 35.51828  ? 3   TYR A CD2 1 
ATOM   23  C  CE1 . TYR A 1 3  ? -27.73967 24.28962 -6.89551  1.000 36.36589  ? 3   TYR A CE1 1 
ATOM   24  C  CE2 . TYR A 1 3  ? -26.72865 22.14145 -6.69066  1.000 35.34722  ? 3   TYR A CE2 1 
ATOM   25  C  CZ  . TYR A 1 3  ? -27.06902 23.35470 -6.14270  1.000 39.46858  ? 3   TYR A CZ  1 
ATOM   26  O  OH  . TYR A 1 3  ? -26.73888 23.63283 -4.83228  1.000 43.69824  ? 3   TYR A OH  1 
ATOM   27  N  N   . VAL A 1 4  ? -27.19400 21.66643 -13.17004 1.000 37.56116  ? 4   VAL A N   1 
ATOM   28  C  CA  . VAL A 1 4  ? -27.60208 21.27594 -14.51163 1.000 36.18283  ? 4   VAL A CA  1 
ATOM   29  C  C   . VAL A 1 4  ? -28.21995 19.88901 -14.44671 1.000 42.14426  ? 4   VAL A C   1 
ATOM   30  O  O   . VAL A 1 4  ? -28.03156 19.14270 -13.48402 1.000 38.93624  ? 4   VAL A O   1 
ATOM   31  C  CB  . VAL A 1 4  ? -26.42976 21.29145 -15.51420 1.000 32.86797  ? 4   VAL A CB  1 
ATOM   32  C  CG1 . VAL A 1 4  ? -25.88029 22.68766 -15.64519 1.000 34.04608  ? 4   VAL A CG1 1 
ATOM   33  C  CG2 . VAL A 1 4  ? -25.33308 20.32781 -15.07712 1.000 30.59409  ? 4   VAL A CG2 1 
ATOM   34  N  N   . ARG A 1 5  ? -28.97611 19.55395 -15.48908 1.000 35.55304  ? 5   ARG A N   1 
ATOM   35  C  CA  . ARG A 1 5  ? -29.54578 18.22483 -15.65882 1.000 32.52630  ? 5   ARG A CA  1 
ATOM   36  C  C   . ARG A 1 5  ? -29.09107 17.66575 -16.99920 1.000 39.80943  ? 5   ARG A C   1 
ATOM   37  O  O   . ARG A 1 5  ? -29.13677 18.36664 -18.01366 1.000 41.58318  ? 5   ARG A O   1 
ATOM   38  C  CB  . ARG A 1 5  ? -31.07323 18.25797 -15.58338 1.000 33.71123  ? 5   ARG A CB  1 
ATOM   39  C  CG  . ARG A 1 5  ? -31.72343 16.92184 -15.91250 1.000 41.55521  ? 5   ARG A CG  1 
ATOM   40  C  CD  . ARG A 1 5  ? -33.19041 16.87002 -15.50369 1.000 41.17786  ? 5   ARG A CD  1 
ATOM   41  N  NE  . ARG A 1 5  ? -34.00542 17.85429 -16.20605 1.000 54.68996  ? 5   ARG A NE  1 
ATOM   42  C  CZ  . ARG A 1 5  ? -35.26929 18.13016 -15.91056 1.000 61.86572  ? 5   ARG A CZ  1 
ATOM   43  N  NH1 . ARG A 1 5  ? -35.90532 17.50328 -14.93280 1.000 59.64604  ? 5   ARG A NH1 1 
ATOM   44  N  NH2 . ARG A 1 5  ? -35.90900 19.06435 -16.60817 1.000 65.64562  ? 5   ARG A NH2 1 
ATOM   45  N  N   . ALA A 1 6  ? -28.65313 16.41049 -17.00100 1.000 40.54598  ? 6   ALA A N   1 
ATOM   46  C  CA  . ALA A 1 6  ? -28.07709 15.80769 -18.19368 1.000 33.41353  ? 6   ALA A CA  1 
ATOM   47  C  C   . ALA A 1 6  ? -29.17640 15.44922 -19.18031 1.000 34.13980  ? 6   ALA A C   1 
ATOM   48  O  O   . ALA A 1 6  ? -30.19832 14.87709 -18.79378 1.000 36.92329  ? 6   ALA A O   1 
ATOM   49  C  CB  . ALA A 1 6  ? -27.27694 14.55888 -17.82541 1.000 32.30411  ? 6   ALA A CB  1 
ATOM   50  N  N   . LEU A 1 7  ? -28.95828 15.77727 -20.45713 1.000 35.26018  ? 7   LEU A N   1 
ATOM   51  C  CA  . LEU A 1 7  ? -29.89617 15.45815 -21.52696 1.000 30.24420  ? 7   LEU A CA  1 
ATOM   52  C  C   . LEU A 1 7  ? -29.62538 14.10942 -22.17442 1.000 30.28207  ? 7   LEU A C   1 
ATOM   53  O  O   . LEU A 1 7  ? -30.51277 13.56348 -22.83859 1.000 40.79458  ? 7   LEU A O   1 
ATOM   54  C  CB  . LEU A 1 7  ? -29.84370 16.53740 -22.60994 1.000 33.13910  ? 7   LEU A CB  1 
ATOM   55  C  CG  . LEU A 1 7  ? -30.20902 17.95597 -22.18924 1.000 35.75844  ? 7   LEU A CG  1 
ATOM   56  C  CD1 . LEU A 1 7  ? -29.74856 18.94761 -23.23503 1.000 40.26417  ? 7   LEU A CD1 1 
ATOM   57  C  CD2 . LEU A 1 7  ? -31.70071 18.05282 -22.00174 1.000 32.90965  ? 7   LEU A CD2 1 
ATOM   58  N  N   . PHE A 1 8  ? -28.41941 13.57579 -22.01745 1.000 34.28196  ? 8   PHE A N   1 
ATOM   59  C  CA  . PHE A 1 8  ? -28.04900 12.29612 -22.59411 1.000 38.09932  ? 8   PHE A CA  1 
ATOM   60  C  C   . PHE A 1 8  ? -27.20158 11.53618 -21.59023 1.000 32.08259  ? 8   PHE A C   1 
ATOM   61  O  O   . PHE A 1 8  ? -26.61178 12.12064 -20.68141 1.000 35.69829  ? 8   PHE A O   1 
ATOM   62  C  CB  . PHE A 1 8  ? -27.24077 12.44778 -23.89117 1.000 35.09031  ? 8   PHE A CB  1 
ATOM   63  C  CG  . PHE A 1 8  ? -27.87495 13.33564 -24.91731 1.000 34.88716  ? 8   PHE A CG  1 
ATOM   64  C  CD1 . PHE A 1 8  ? -27.60750 14.69203 -24.93304 1.000 32.03940  ? 8   PHE A CD1 1 
ATOM   65  C  CD2 . PHE A 1 8  ? -28.70808 12.81181 -25.89114 1.000 40.96094  ? 8   PHE A CD2 1 
ATOM   66  C  CE1 . PHE A 1 8  ? -28.17511 15.51696 -25.88797 1.000 37.42638  ? 8   PHE A CE1 1 
ATOM   67  C  CE2 . PHE A 1 8  ? -29.28131 13.63467 -26.85064 1.000 37.08333  ? 8   PHE A CE2 1 
ATOM   68  C  CZ  . PHE A 1 8  ? -29.01162 14.98832 -26.84919 1.000 33.35659  ? 8   PHE A CZ  1 
ATOM   69  N  N   . ASP A 1 9  ? -27.13157 10.22322 -21.77480 1.000 39.61485  ? 9   ASP A N   1 
ATOM   70  C  CA  . ASP A 1 9  ? -26.10316 9.44663  -21.10500 1.000 31.68753  ? 9   ASP A CA  1 
ATOM   71  C  C   . ASP A 1 9  ? -24.73711 9.84487  -21.64567 1.000 36.60990  ? 9   ASP A C   1 
ATOM   72  O  O   . ASP A 1 9  ? -24.59508 10.23579 -22.80730 1.000 44.93565  ? 9   ASP A O   1 
ATOM   73  C  CB  . ASP A 1 9  ? -26.33377 7.94931  -21.31212 1.000 38.50741  ? 9   ASP A CB  1 
ATOM   74  C  CG  . ASP A 1 9  ? -27.69156 7.49031  -20.81266 1.000 46.06693  ? 9   ASP A CG  1 
ATOM   75  O  OD1 . ASP A 1 9  ? -28.15094 7.99706  -19.76743 1.000 58.30371  ? 9   ASP A OD1 1 
ATOM   76  O  OD2 . ASP A 1 9  ? -28.30453 6.62350  -21.47098 1.000 63.71759  ? 9   ASP A OD2 1 
ATOM   77  N  N   . HIS A 1 10 ? -23.72392 9.75547  -20.78961 1.000 38.79559  ? 10  HIS A N   1 
ATOM   78  C  CA  . HIS A 1 10 ? -22.36467 10.09163 -21.18854 1.000 28.43525  ? 10  HIS A CA  1 
ATOM   79  C  C   . HIS A 1 10 ? -21.38978 9.12263  -20.53997 1.000 42.76497  ? 10  HIS A C   1 
ATOM   80  O  O   . HIS A 1 10 ? -21.44705 8.89317  -19.32776 1.000 41.07121  ? 10  HIS A O   1 
ATOM   81  C  CB  . HIS A 1 10 ? -22.01045 11.53201 -20.80852 1.000 27.24078  ? 10  HIS A CB  1 
ATOM   82  C  CG  . HIS A 1 10 ? -20.62167 11.92791 -21.19587 1.000 36.38574  ? 10  HIS A CG  1 
ATOM   83  N  ND1 . HIS A 1 10 ? -19.58974 12.00763 -20.28590 1.000 47.37159  ? 10  HIS A ND1 1 
ATOM   84  C  CD2 . HIS A 1 10 ? -20.08869 12.24729 -22.39888 1.000 34.65502  ? 10  HIS A CD2 1 
ATOM   85  C  CE1 . HIS A 1 10 ? -18.48274 12.36944 -20.90964 1.000 44.28639  ? 10  HIS A CE1 1 
ATOM   86  N  NE2 . HIS A 1 10 ? -18.75818 12.52052 -22.19245 1.000 48.96168  ? 10  HIS A NE2 1 
ATOM   87  N  N   . THR A 1 11 ? -20.49994 8.55992  -21.35146 1.000 36.72496  ? 11  THR A N   1 
ATOM   88  C  CA  . THR A 1 11 ? -19.49214 7.62385  -20.87722 1.000 36.72263  ? 11  THR A CA  1 
ATOM   89  C  C   . THR A 1 11 ? -18.22968 8.37291  -20.47480 1.000 36.15759  ? 11  THR A C   1 
ATOM   90  O  O   . THR A 1 11 ? -17.72779 9.20830  -21.23227 1.000 45.07004  ? 11  THR A O   1 
ATOM   91  C  CB  . THR A 1 11 ? -19.16549 6.59627  -21.95704 1.000 43.77180  ? 11  THR A CB  1 
ATOM   92  O  OG1 . THR A 1 11 ? -20.30107 5.75057  -22.16471 1.000 49.08417  ? 11  THR A OG1 1 
ATOM   93  C  CG2 . THR A 1 11 ? -17.97486 5.75408  -21.53756 1.000 53.10060  ? 11  THR A CG2 1 
ATOM   94  N  N   . GLY A 1 12 ? -17.71859 8.06651  -19.28553 1.000 45.75757  ? 12  GLY A N   1 
ATOM   95  C  CA  . GLY A 1 12 ? -16.53157 8.74107  -18.80111 1.000 43.16125  ? 12  GLY A CA  1 
ATOM   96  C  C   . GLY A 1 12 ? -15.31721 8.46277  -19.66425 1.000 46.17793  ? 12  GLY A C   1 
ATOM   97  O  O   . GLY A 1 12 ? -15.24005 7.46743  -20.38499 1.000 61.32027  ? 12  GLY A O   1 
ATOM   98  N  N   . HIS A 1 13 ? -14.34921 9.37635  -19.58160 1.000 44.04454  ? 13  HIS A N   1 
ATOM   99  C  CA  . HIS A 1 13 ? -13.12097 9.27625  -20.36008 1.000 45.88136  ? 13  HIS A CA  1 
ATOM   100 C  C   . HIS A 1 13 ? -12.20311 10.45257 -20.05086 1.000 46.41178  ? 13  HIS A C   1 
ATOM   101 O  O   . HIS A 1 13 ? -12.52539 11.28726 -19.19943 1.000 47.85160  ? 13  HIS A O   1 
ATOM   102 C  CB  . HIS A 1 13 ? -13.43705 9.22252  -21.85465 1.000 45.04875  ? 13  HIS A CB  1 
ATOM   103 C  CG  . HIS A 1 13 ? -14.06296 10.47438 -22.37698 1.000 45.21030  ? 13  HIS A CG  1 
ATOM   104 N  ND1 . HIS A 1 13 ? -13.32072 11.52882 -22.86167 1.000 46.97738  ? 13  HIS A ND1 1 
ATOM   105 C  CD2 . HIS A 1 13 ? -15.35961 10.85272 -22.46631 1.000 49.36027  ? 13  HIS A CD2 1 
ATOM   106 C  CE1 . HIS A 1 13 ? -14.13383 12.49902 -23.23867 1.000 56.90526  ? 13  HIS A CE1 1 
ATOM   107 N  NE2 . HIS A 1 13 ? -15.37654 12.11458 -23.00838 1.000 52.44681  ? 13  HIS A NE2 1 
ATOM   108 N  N   . ASP A 1 14 ? -11.06755 10.53453 -20.74022 1.000 55.49620  ? 14  ASP A N   1 
ATOM   109 C  CA  . ASP A 1 14 ? -10.06995 11.56554 -20.49432 1.000 53.93719  ? 14  ASP A CA  1 
ATOM   110 C  C   . ASP A 1 14 ? -10.05546 12.60625 -21.60824 1.000 48.10029  ? 14  ASP A C   1 
ATOM   111 O  O   . ASP A 1 14 ? -10.45819 12.35316 -22.74782 1.000 52.99620  ? 14  ASP A O   1 
ATOM   112 C  CB  . ASP A 1 14 ? -8.66640  10.95936 -20.35405 1.000 53.32719  ? 14  ASP A CB  1 
ATOM   113 C  CG  . ASP A 1 14 ? -8.50767  10.12541 -19.09698 1.000 79.86534  ? 14  ASP A CG  1 
ATOM   114 O  OD1 . ASP A 1 14 ? -9.19898  10.40884 -18.09529 1.000 74.79950  ? 14  ASP A OD1 1 
ATOM   115 O  OD2 . ASP A 1 14 ? -7.67987  9.19005  -19.10971 1.000 99.57506  ? 14  ASP A OD2 1 
ATOM   116 N  N   . GLU A 1 15 ? -9.58688  13.79599 -21.24858 1.000 46.87131  ? 15  GLU A N   1 
ATOM   117 C  CA  . GLU A 1 15 ? -9.22096  14.82730 -22.20463 1.000 52.34704  ? 15  GLU A CA  1 
ATOM   118 C  C   . GLU A 1 15 ? -7.86139  15.36893 -21.79905 1.000 47.88045  ? 15  GLU A C   1 
ATOM   119 O  O   . GLU A 1 15 ? -7.48720  15.31698 -20.62448 1.000 52.16165  ? 15  GLU A O   1 
ATOM   120 C  CB  . GLU A 1 15 ? -10.25134 15.96418 -22.26214 1.000 47.33915  ? 15  GLU A CB  1 
ATOM   121 C  CG  . GLU A 1 15 ? -11.67924 15.49412 -22.48999 1.000 73.18439  ? 15  GLU A CG  1 
ATOM   122 C  CD  . GLU A 1 15 ? -12.44847 16.38138 -23.45223 1.000 82.72106  ? 15  GLU A CD  1 
ATOM   123 O  OE1 . GLU A 1 15 ? -12.51121 16.04532 -24.65333 1.000 106.46453 ? 15  GLU A OE1 1 
ATOM   124 O  OE2 . GLU A 1 15 ? -12.99110 17.41530 -23.00966 1.000 114.22659 ? 15  GLU A OE2 1 
ATOM   125 N  N   . GLN A 1 16 ? -7.11618  15.88049 -22.77048 1.000 48.51956  ? 16  GLN A N   1 
ATOM   126 C  CA  . GLN A 1 16 ? -5.75258  16.31861 -22.51546 1.000 49.71629  ? 16  GLN A CA  1 
ATOM   127 C  C   . GLN A 1 16 ? -5.68281  17.83353 -22.37102 1.000 52.09112  ? 16  GLN A C   1 
ATOM   128 O  O   . GLN A 1 16 ? -6.41818  18.57062 -23.03363 1.000 49.29323  ? 16  GLN A O   1 
ATOM   129 C  CB  . GLN A 1 16 ? -4.80922  15.84429 -23.62124 1.000 49.55841  ? 16  GLN A CB  1 
ATOM   130 C  CG  . GLN A 1 16 ? -5.30599  16.08330 -25.02905 1.000 76.43374  ? 16  GLN A CG  1 
ATOM   131 C  CD  . GLN A 1 16 ? -4.33063  15.57257 -26.07220 1.000 94.92088  ? 16  GLN A CD  1 
ATOM   132 O  OE1 . GLN A 1 16 ? -3.64408  14.57255 -25.85782 1.000 82.01331  ? 16  GLN A OE1 1 
ATOM   133 N  NE2 . GLN A 1 16 ? -4.25659  16.26407 -27.20484 1.000 76.70016  ? 16  GLN A NE2 1 
ATOM   134 N  N   . GLU A 1 17 ? -4.80829  18.28788 -21.47800 1.000 43.41673  ? 17  GLU A N   1 
ATOM   135 C  CA  . GLU A 1 17 ? -4.53070  19.70375 -21.29598 1.000 33.93431  ? 17  GLU A CA  1 
ATOM   136 C  C   . GLU A 1 17 ? -3.28287  20.07493 -22.07961 1.000 34.87004  ? 17  GLU A C   1 
ATOM   137 O  O   . GLU A 1 17 ? -2.25980  19.38921 -21.98771 1.000 52.63965  ? 17  GLU A O   1 
ATOM   138 C  CB  . GLU A 1 17 ? -4.33706  20.04818 -19.82118 1.000 35.90923  ? 17  GLU A CB  1 
ATOM   139 C  CG  . GLU A 1 17 ? -5.61745  20.20990 -19.04786 1.000 40.76629  ? 17  GLU A CG  1 
ATOM   140 C  CD  . GLU A 1 17 ? -5.42670  21.08038 -17.82875 1.000 58.70424  ? 17  GLU A CD  1 
ATOM   141 O  OE1 . GLU A 1 17 ? -4.60835  22.02243 -17.89605 1.000 70.53064  ? 17  GLU A OE1 1 
ATOM   142 O  OE2 . GLU A 1 17 ? -6.08391  20.81951 -16.80192 1.000 77.02068  ? 17  GLU A OE2 1 
ATOM   143 N  N   . LEU A 1 18 ? -3.37155  21.15480 -22.84231 1.000 39.89824  ? 18  LEU A N   1 
ATOM   144 C  CA  . LEU A 1 18 ? -2.23768  21.59789 -23.63353 1.000 35.47504  ? 18  LEU A CA  1 
ATOM   145 C  C   . LEU A 1 18 ? -1.04747  21.88803 -22.73234 1.000 37.60690  ? 18  LEU A C   1 
ATOM   146 O  O   . LEU A 1 18 ? -1.20650  22.54298 -21.69436 1.000 44.37436  ? 18  LEU A O   1 
ATOM   147 C  CB  . LEU A 1 18 ? -2.58218  22.85794 -24.41657 1.000 36.78674  ? 18  LEU A CB  1 
ATOM   148 C  CG  . LEU A 1 18 ? -3.29088  22.66763 -25.74115 1.000 44.09854  ? 18  LEU A CG  1 
ATOM   149 C  CD1 . LEU A 1 18 ? -3.32713  24.00039 -26.45107 1.000 40.26769  ? 18  LEU A CD1 1 
ATOM   150 C  CD2 . LEU A 1 18 ? -2.56380  21.61999 -26.56294 1.000 44.10287  ? 18  LEU A CD2 1 
ATOM   151 N  N   . PRO A 1 19 ? 0.14506   21.43612 -23.08508 1.000 39.34156  ? 19  PRO A N   1 
ATOM   152 C  CA  . PRO A 1 19 ? 1.34605   22.02897 -22.50559 1.000 40.42048  ? 19  PRO A CA  1 
ATOM   153 C  C   . PRO A 1 19 ? 1.64403   23.34799 -23.19370 1.000 40.77794  ? 19  PRO A C   1 
ATOM   154 O  O   . PRO A 1 19 ? 1.37298   23.53167 -24.38191 1.000 44.61399  ? 19  PRO A O   1 
ATOM   155 C  CB  . PRO A 1 19 ? 2.42855   20.98644 -22.80213 1.000 40.66534  ? 19  PRO A CB  1 
ATOM   156 C  CG  . PRO A 1 19 ? 1.97584   20.35849 -24.06126 1.000 40.87253  ? 19  PRO A CG  1 
ATOM   157 C  CD  . PRO A 1 19 ? 0.46458   20.35865 -24.03490 1.000 42.75704  ? 19  PRO A CD  1 
ATOM   158 N  N   . PHE A 1 20 ? 2.19188   24.28461 -22.42867 1.000 35.35106  ? 20  PHE A N   1 
ATOM   159 C  CA  . PHE A 1 20 ? 2.58531   25.54321 -23.03913 1.000 36.24532  ? 20  PHE A CA  1 
ATOM   160 C  C   . PHE A 1 20 ? 3.67201   26.19818 -22.20514 1.000 33.80214  ? 20  PHE A C   1 
ATOM   161 O  O   . PHE A 1 20 ? 3.90400   25.83497 -21.05053 1.000 37.88945  ? 20  PHE A O   1 
ATOM   162 C  CB  . PHE A 1 20 ? 1.38932   26.48367 -23.22660 1.000 34.37294  ? 20  PHE A CB  1 
ATOM   163 C  CG  . PHE A 1 20 ? 0.55372   26.68693 -21.98988 1.000 35.39912  ? 20  PHE A CG  1 
ATOM   164 C  CD1 . PHE A 1 20 ? 0.92771   27.60393 -21.02345 1.000 40.22547  ? 20  PHE A CD1 1 
ATOM   165 C  CD2 . PHE A 1 20 ? -0.63134  25.99305 -21.81789 1.000 37.91294  ? 20  PHE A CD2 1 
ATOM   166 C  CE1 . PHE A 1 20 ? 0.14647   27.80586 -19.89990 1.000 34.85070  ? 20  PHE A CE1 1 
ATOM   167 C  CE2 . PHE A 1 20 ? -1.41497  26.19291 -20.69863 1.000 35.88666  ? 20  PHE A CE2 1 
ATOM   168 C  CZ  . PHE A 1 20 ? -1.02466  27.09905 -19.73826 1.000 36.36232  ? 20  PHE A CZ  1 
ATOM   169 N  N   . LYS A 1 21 ? 4.34221   27.16408 -22.82300 1.000 38.45929  ? 21  LYS A N   1 
ATOM   170 C  CA  . LYS A 1 21 ? 5.45100   27.88714 -22.22630 1.000 38.50165  ? 21  LYS A CA  1 
ATOM   171 C  C   . LYS A 1 21 ? 5.01868   29.29819 -21.86088 1.000 40.33240  ? 21  LYS A C   1 
ATOM   172 O  O   . LYS A 1 21 ? 4.11711   29.86740 -22.48117 1.000 43.96732  ? 21  LYS A O   1 
ATOM   173 C  CB  . LYS A 1 21 ? 6.64082   27.94743 -23.18699 1.000 35.11761  ? 21  LYS A CB  1 
ATOM   174 C  CG  . LYS A 1 21 ? 7.31340   26.61042 -23.40346 1.000 40.97076  ? 21  LYS A CG  1 
ATOM   175 C  CD  . LYS A 1 21 ? 7.91317   26.10590 -22.10065 1.000 57.87795  ? 21  LYS A CD  1 
ATOM   176 C  CE  . LYS A 1 21 ? 8.70892   24.82959 -22.29948 1.000 82.52595  ? 21  LYS A CE  1 
ATOM   177 N  NZ  . LYS A 1 21 ? 9.43157   24.45977 -21.04986 1.000 72.79627  ? 21  LYS A NZ  1 
ATOM   178 N  N   . LYS A 1 22 ? 5.67326   29.85985 -20.84695 1.000 39.55749  ? 22  LYS A N   1 
ATOM   179 C  CA  . LYS A 1 22 ? 5.38863   31.23115 -20.45122 1.000 38.73161  ? 22  LYS A CA  1 
ATOM   180 C  C   . LYS A 1 22 ? 5.51719   32.15276 -21.65450 1.000 37.80960  ? 22  LYS A C   1 
ATOM   181 O  O   . LYS A 1 22 ? 6.49604   32.08533 -22.40117 1.000 38.18496  ? 22  LYS A O   1 
ATOM   182 C  CB  . LYS A 1 22 ? 6.34125   31.67820 -19.33965 1.000 34.16281  ? 22  LYS A CB  1 
ATOM   183 C  CG  . LYS A 1 22 ? 5.93120   32.99283 -18.70980 1.000 46.35270  ? 22  LYS A CG  1 
ATOM   184 C  CD  . LYS A 1 22 ? 7.10764   33.90797 -18.44090 1.000 65.42815  ? 22  LYS A CD  1 
ATOM   185 C  CE  . LYS A 1 22 ? 6.61251   35.32398 -18.16832 1.000 54.72575  ? 22  LYS A CE  1 
ATOM   186 N  NZ  . LYS A 1 22 ? 7.71230   36.31835 -18.27196 1.000 72.46886  ? 22  LYS A NZ  1 
ATOM   187 N  N   . GLY A 1 23 ? 4.51265   33.00372 -21.84840 1.000 39.37177  ? 23  GLY A N   1 
ATOM   188 C  CA  . GLY A 1 23 ? 4.50615   33.95116 -22.94083 1.000 37.82126  ? 23  GLY A CA  1 
ATOM   189 C  C   . GLY A 1 23 ? 3.92064   33.43759 -24.23674 1.000 36.42506  ? 23  GLY A C   1 
ATOM   190 O  O   . GLY A 1 23 ? 3.76012   34.22255 -25.17822 1.000 40.00616  ? 23  GLY A O   1 
ATOM   191 N  N   . GLU A 1 24 ? 3.59346   32.15384 -24.31438 1.000 35.64558  ? 24  GLU A N   1 
ATOM   192 C  CA  . GLU A 1 24 ? 3.06812   31.57397 -25.53951 1.000 38.20610  ? 24  GLU A CA  1 
ATOM   193 C  C   . GLU A 1 24 ? 1.65751   32.08413 -25.81416 1.000 39.98893  ? 24  GLU A C   1 
ATOM   194 O  O   . GLU A 1 24 ? 0.87856   32.34474 -24.89545 1.000 34.86812  ? 24  GLU A O   1 
ATOM   195 C  CB  . GLU A 1 24 ? 3.07500   30.05143 -25.42689 1.000 39.73116  ? 24  GLU A CB  1 
ATOM   196 C  CG  . GLU A 1 24 ? 2.64360   29.29978 -26.66379 1.000 42.63211  ? 24  GLU A CG  1 
ATOM   197 C  CD  . GLU A 1 24 ? 2.85460   27.80313 -26.51574 1.000 61.33872  ? 24  GLU A CD  1 
ATOM   198 O  OE1 . GLU A 1 24 ? 3.68000   27.39758 -25.66716 1.000 48.16056  ? 24  GLU A OE1 1 
ATOM   199 O  OE2 . GLU A 1 24 ? 2.19596   27.03026 -27.24136 1.000 58.37097  ? 24  GLU A OE2 1 
ATOM   200 N  N   . ILE A 1 25 ? 1.33184   32.22953 -27.09932 1.000 37.93280  ? 25  ILE A N   1 
ATOM   201 C  CA  . ILE A 1 25 ? 0.02770   32.72049 -27.53525 1.000 32.94685  ? 25  ILE A CA  1 
ATOM   202 C  C   . ILE A 1 25 ? -0.84732  31.53816 -27.91602 1.000 33.26904  ? 25  ILE A C   1 
ATOM   203 O  O   . ILE A 1 25 ? -0.37903  30.57317 -28.53078 1.000 43.42262  ? 25  ILE A O   1 
ATOM   204 C  CB  . ILE A 1 25 ? 0.16470   33.69905 -28.71442 1.000 35.84617  ? 25  ILE A CB  1 
ATOM   205 C  CG1 . ILE A 1 25 ? 0.88234   34.96797 -28.27065 1.000 42.91852  ? 25  ILE A CG1 1 
ATOM   206 C  CG2 . ILE A 1 25 ? -1.19735  34.02916 -29.29564 1.000 33.98001  ? 25  ILE A CG2 1 
ATOM   207 C  CD1 . ILE A 1 25 ? 1.23016   35.87950 -29.42496 1.000 67.86465  ? 25  ILE A CD1 1 
ATOM   208 N  N   . LEU A 1 26 ? -2.12480  31.61596 -27.56135 1.000 33.17197  ? 26  LEU A N   1 
ATOM   209 C  CA  . LEU A 1 26 ? -3.06797  30.54119 -27.82337 1.000 37.28241  ? 26  LEU A CA  1 
ATOM   210 C  C   . LEU A 1 26 ? -4.37818  31.13256 -28.30920 1.000 37.06490  ? 26  LEU A C   1 
ATOM   211 O  O   . LEU A 1 26 ? -4.79534  32.19636 -27.84181 1.000 37.55872  ? 26  LEU A O   1 
ATOM   212 C  CB  . LEU A 1 26 ? -3.32677  29.70126 -26.56755 1.000 38.97143  ? 26  LEU A CB  1 
ATOM   213 C  CG  . LEU A 1 26 ? -2.09598  29.11401 -25.88818 1.000 36.39562  ? 26  LEU A CG  1 
ATOM   214 C  CD1 . LEU A 1 26 ? -2.46375  28.58193 -24.52069 1.000 39.00108  ? 26  LEU A CD1 1 
ATOM   215 C  CD2 . LEU A 1 26 ? -1.52082  28.01764 -26.75059 1.000 36.94709  ? 26  LEU A CD2 1 
ATOM   216 N  N   . ARG A 1 27 ? -5.02537  30.43446 -29.23795 1.000 35.42058  ? 27  ARG A N   1 
ATOM   217 C  CA  . ARG A 1 27 ? -6.33778  30.81973 -29.73379 1.000 34.87548  ? 27  ARG A CA  1 
ATOM   218 C  C   . ARG A 1 27 ? -7.39430  30.02923 -28.97839 1.000 37.44573  ? 27  ARG A C   1 
ATOM   219 O  O   . ARG A 1 27 ? -7.24504  28.81976 -28.78601 1.000 35.55431  ? 27  ARG A O   1 
ATOM   220 C  CB  . ARG A 1 27 ? -6.46882  30.56340 -31.23607 1.000 35.65808  ? 27  ARG A CB  1 
ATOM   221 C  CG  . ARG A 1 27 ? -7.79604  31.04196 -31.79328 1.000 39.14047  ? 27  ARG A CG  1 
ATOM   222 C  CD  . ARG A 1 27 ? -7.91704  30.84502 -33.29825 1.000 44.41881  ? 27  ARG A CD  1 
ATOM   223 N  NE  . ARG A 1 27 ? -8.05105  29.43745 -33.64699 1.000 53.22830  ? 27  ARG A NE  1 
ATOM   224 C  CZ  . ARG A 1 27 ? -9.16983  28.73892 -33.51893 1.000 44.39688  ? 27  ARG A CZ  1 
ATOM   225 N  NH1 . ARG A 1 27 ? -10.28489 29.29503 -33.07603 1.000 48.45252  ? 27  ARG A NH1 1 
ATOM   226 N  NH2 . ARG A 1 27 ? -9.16633  27.44694 -33.83247 1.000 54.77494  ? 27  ARG A NH2 1 
ATOM   227 N  N   . ILE A 1 28 ? -8.45198  30.71152 -28.55270 1.000 36.86798  ? 28  ILE A N   1 
ATOM   228 C  CA  . ILE A 1 28 ? -9.54410  30.06756 -27.83298 1.000 36.35271  ? 28  ILE A CA  1 
ATOM   229 C  C   . ILE A 1 28 ? -10.51864 29.46996 -28.83986 1.000 37.52838  ? 28  ILE A C   1 
ATOM   230 O  O   . ILE A 1 28 ? -10.93297 30.13790 -29.79248 1.000 47.43852  ? 28  ILE A O   1 
ATOM   231 C  CB  . ILE A 1 28 ? -10.24411 31.07403 -26.90684 1.000 34.02752  ? 28  ILE A CB  1 
ATOM   232 C  CG1 . ILE A 1 28 ? -9.23827  31.67352 -25.93186 1.000 32.93857  ? 28  ILE A CG1 1 
ATOM   233 C  CG2 . ILE A 1 28 ? -11.36535 30.41048 -26.14577 1.000 33.60122  ? 28  ILE A CG2 1 
ATOM   234 C  CD1 . ILE A 1 28 ? -8.53184  30.64005 -25.08034 1.000 39.84695  ? 28  ILE A CD1 1 
ATOM   235 N  N   . ARG A 1 29 ? -10.86800 28.20150 -28.64746 1.000 37.35788  ? 29  ARG A N   1 
ATOM   236 C  CA  . ARG A 1 29 ? -11.87305 27.54220 -29.46866 1.000 35.42741  ? 29  ARG A CA  1 
ATOM   237 C  C   . ARG A 1 29 ? -13.23701 27.80668 -28.84359 1.000 48.52519  ? 29  ARG A C   1 
ATOM   238 O  O   . ARG A 1 29 ? -13.48624 27.40717 -27.70110 1.000 50.00025  ? 29  ARG A O   1 
ATOM   239 C  CB  . ARG A 1 29 ? -11.59950 26.04050 -29.56972 1.000 42.32770  ? 29  ARG A CB  1 
ATOM   240 C  CG  . ARG A 1 29 ? -10.33777 25.65712 -30.34224 1.000 38.72917  ? 29  ARG A CG  1 
ATOM   241 C  CD  . ARG A 1 29 ? -10.57406 24.38003 -31.16111 1.000 59.41127  ? 29  ARG A CD  1 
ATOM   242 N  NE  . ARG A 1 29 ? -11.74942 24.50362 -32.02010 1.000 82.34993  ? 29  ARG A NE  1 
ATOM   243 C  CZ  . ARG A 1 29 ? -11.71670 24.68108 -33.33505 1.000 65.63839  ? 29  ARG A CZ  1 
ATOM   244 N  NH1 . ARG A 1 29 ? -10.57762 24.68369 -34.00489 1.000 71.33908  ? 29  ARG A NH1 1 
ATOM   245 N  NH2 . ARG A 1 29 ? -12.85732 24.86469 -33.99438 1.000 51.65053  ? 29  ARG A NH2 1 
ATOM   246 N  N   . ASP A 1 30 ? -14.11784 28.47752 -29.58590 1.000 51.25598  ? 30  ASP A N   1 
ATOM   247 C  CA  . ASP A 1 30 ? -15.36293 28.98960 -29.02653 1.000 61.91589  ? 30  ASP A CA  1 
ATOM   248 C  C   . ASP A 1 30 ? -16.61269 28.30573 -29.57646 1.000 53.18308  ? 30  ASP A C   1 
ATOM   249 O  O   . ASP A 1 30 ? -17.72591 28.75424 -29.28450 1.000 62.23312  ? 30  ASP A O   1 
ATOM   250 C  CB  . ASP A 1 30 ? -15.45196 30.50298 -29.24710 1.000 49.92414  ? 30  ASP A CB  1 
ATOM   251 C  CG  . ASP A 1 30 ? -15.27064 30.89472 -30.69921 1.000 77.26346  ? 30  ASP A CG  1 
ATOM   252 O  OD1 . ASP A 1 30 ? -15.05585 29.99732 -31.54429 1.000 103.19930 ? 30  ASP A OD1 1 
ATOM   253 O  OD2 . ASP A 1 30 ? -15.34544 32.10607 -30.99532 1.000 105.59694 ? 30  ASP A OD2 1 
ATOM   254 N  N   . LYS A 1 31 ? -16.47141 27.23515 -30.34726 1.000 47.18700  ? 31  LYS A N   1 
ATOM   255 C  CA  . LYS A 1 31 ? -17.65605 26.51762 -30.79096 1.000 41.17675  ? 31  LYS A CA  1 
ATOM   256 C  C   . LYS A 1 31 ? -18.38093 25.92392 -29.58398 1.000 46.75299  ? 31  LYS A C   1 
ATOM   257 O  O   . LYS A 1 31 ? -17.73768 25.47671 -28.62852 1.000 46.90291  ? 31  LYS A O   1 
ATOM   258 C  CB  . LYS A 1 31 ? -17.28262 25.41915 -31.78405 1.000 44.33729  ? 31  LYS A CB  1 
ATOM   259 C  CG  . LYS A 1 31 ? -16.77201 25.95878 -33.10633 1.000 64.70028  ? 31  LYS A CG  1 
ATOM   260 C  CD  . LYS A 1 31 ? -16.47306 24.84798 -34.08990 1.000 56.90356  ? 31  LYS A CD  1 
ATOM   261 C  CE  . LYS A 1 31 ? -15.95623 25.41713 -35.39915 1.000 54.19783  ? 31  LYS A CE  1 
ATOM   262 N  NZ  . LYS A 1 31 ? -15.61978 24.34226 -36.36562 1.000 106.44320 ? 31  LYS A NZ  1 
ATOM   263 N  N   . PRO A 1 32 ? -19.71251 25.90969 -29.58941 1.000 45.26050  ? 32  PRO A N   1 
ATOM   264 C  CA  . PRO A 1 32 ? -20.44677 25.40717 -28.41431 1.000 46.22307  ? 32  PRO A CA  1 
ATOM   265 C  C   . PRO A 1 32 ? -20.04199 24.00806 -27.97712 1.000 40.74861  ? 32  PRO A C   1 
ATOM   266 O  O   . PRO A 1 32 ? -19.86083 23.77060 -26.77650 1.000 47.05346  ? 32  PRO A O   1 
ATOM   267 C  CB  . PRO A 1 32 ? -21.90707 25.45717 -28.88336 1.000 39.88975  ? 32  PRO A CB  1 
ATOM   268 C  CG  . PRO A 1 32 ? -21.92194 26.51835 -29.91907 1.000 47.76245  ? 32  PRO A CG  1 
ATOM   269 C  CD  . PRO A 1 32 ? -20.61431 26.40715 -30.63749 1.000 38.04177  ? 32  PRO A CD  1 
ATOM   270 N  N   . GLU A 1 33 ? -19.88619 23.07318 -28.91374 1.000 43.77345  ? 33  GLU A N   1 
ATOM   271 C  CA  . GLU A 1 33 ? -19.56258 21.70294 -28.53528 1.000 40.52623  ? 33  GLU A CA  1 
ATOM   272 C  C   . GLU A 1 33 ? -18.17355 21.56468 -27.93080 1.000 36.74535  ? 33  GLU A C   1 
ATOM   273 O  O   . GLU A 1 33 ? -17.81819 20.46545 -27.49584 1.000 41.68058  ? 33  GLU A O   1 
ATOM   274 C  CB  . GLU A 1 33 ? -19.69835 20.76897 -29.74354 1.000 41.57458  ? 33  GLU A CB  1 
ATOM   275 C  CG  . GLU A 1 33 ? -18.83566 21.13020 -30.94306 1.000 47.49842  ? 33  GLU A CG  1 
ATOM   276 C  CD  . GLU A 1 33 ? -19.52847 22.07191 -31.90911 1.000 60.29910  ? 33  GLU A CD  1 
ATOM   277 O  OE1 . GLU A 1 33 ? -20.33694 22.91200 -31.45796 1.000 53.00184  ? 33  GLU A OE1 1 
ATOM   278 O  OE2 . GLU A 1 33 ? -19.26719 21.96357 -33.12605 1.000 70.68783  ? 33  GLU A OE2 1 
ATOM   279 N  N   . GLU A 1 34 ? -17.38005 22.63146 -27.88760 1.000 43.74189  ? 34  GLU A N   1 
ATOM   280 C  CA  . GLU A 1 34 ? -16.05222 22.57520 -27.29367 1.000 40.83065  ? 34  GLU A CA  1 
ATOM   281 C  C   . GLU A 1 34 ? -15.99526 23.21205 -25.91374 1.000 39.17815  ? 34  GLU A C   1 
ATOM   282 O  O   . GLU A 1 34 ? -14.91052 23.30303 -25.33259 1.000 45.94600  ? 34  GLU A O   1 
ATOM   283 C  CB  . GLU A 1 34 ? -15.02698 23.23966 -28.22174 1.000 42.86607  ? 34  GLU A CB  1 
ATOM   284 C  CG  . GLU A 1 34 ? -14.61577 22.35419 -29.40556 1.000 46.25549  ? 34  GLU A CG  1 
ATOM   285 C  CD  . GLU A 1 34 ? -13.92290 23.11451 -30.52298 1.000 82.89893  ? 34  GLU A CD  1 
ATOM   286 O  OE1 . GLU A 1 34 ? -14.50057 24.10735 -31.01270 1.000 80.65468  ? 34  GLU A OE1 1 
ATOM   287 O  OE2 . GLU A 1 34 ? -12.80323 22.71782 -30.91936 1.000 81.17784  ? 34  GLU A OE2 1 
ATOM   288 N  N   . GLN A 1 35 ? -17.12841 23.64589 -25.37404 1.000 40.64250  ? 35  GLN A N   1 
ATOM   289 C  CA  . GLN A 1 35 ? -17.16404 24.29300 -24.07191 1.000 43.65156  ? 35  GLN A CA  1 
ATOM   290 C  C   . GLN A 1 35 ? -17.39984 23.27104 -22.97060 1.000 37.57624  ? 35  GLN A C   1 
ATOM   291 O  O   . GLN A 1 35 ? -18.23863 22.37541 -23.10100 1.000 39.05882  ? 35  GLN A O   1 
ATOM   292 C  CB  . GLN A 1 35 ? -18.25272 25.36296 -24.04584 1.000 39.11802  ? 35  GLN A CB  1 
ATOM   293 C  CG  . GLN A 1 35 ? -18.06208 26.39659 -25.13024 1.000 49.23880  ? 35  GLN A CG  1 
ATOM   294 C  CD  . GLN A 1 35 ? -16.59534 26.74522 -25.33520 1.000 72.73645  ? 35  GLN A CD  1 
ATOM   295 O  OE1 . GLN A 1 35 ? -15.82468 26.83672 -24.37742 1.000 71.93290  ? 35  GLN A OE1 1 
ATOM   296 N  NE2 . GLN A 1 35 ? -16.20098 26.92896 -26.59005 1.000 62.29045  ? 35  GLN A NE2 1 
ATOM   297 N  N   . LEU A 1 36 ? -16.65483 23.40976 -21.88205 1.000 36.20931  ? 36  LEU A N   1 
ATOM   298 C  CA  . LEU A 1 36 ? -16.76944 22.48809 -20.77027 1.000 37.96770  ? 36  LEU A CA  1 
ATOM   299 C  C   . LEU A 1 36 ? -16.94540 23.25115 -19.47079 1.000 35.59777  ? 36  LEU A C   1 
ATOM   300 O  O   . LEU A 1 36 ? -16.55536 24.41480 -19.35026 1.000 47.12230  ? 36  LEU A O   1 
ATOM   301 C  CB  . LEU A 1 36 ? -15.55166 21.57302 -20.67788 1.000 38.18785  ? 36  LEU A CB  1 
ATOM   302 C  CG  . LEU A 1 36 ? -15.43024 20.60701 -21.85652 1.000 48.89976  ? 36  LEU A CG  1 
ATOM   303 C  CD1 . LEU A 1 36 ? -14.47456 21.14800 -22.90437 1.000 48.90300  ? 36  LEU A CD1 1 
ATOM   304 C  CD2 . LEU A 1 36 ? -15.01905 19.21652 -21.38795 1.000 47.16363  ? 36  LEU A CD2 1 
ATOM   305 N  N   . TRP A 1 37 ? -17.55948 22.57648 -18.50774 1.000 38.09784  ? 37  TRP A N   1 
ATOM   306 C  CA  . TRP A 1 37 ? -17.66700 23.04286 -17.13875 1.000 32.87998  ? 37  TRP A CA  1 
ATOM   307 C  C   . TRP A 1 37 ? -17.08967 21.99669 -16.20470 1.000 36.37546  ? 37  TRP A C   1 
ATOM   308 O  O   . TRP A 1 37 ? -17.03409 20.80601 -16.52623 1.000 39.37403  ? 37  TRP A O   1 
ATOM   309 C  CB  . TRP A 1 37 ? -19.11706 23.30093 -16.73345 1.000 32.95164  ? 37  TRP A CB  1 
ATOM   310 C  CG  . TRP A 1 37 ? -19.69142 24.54084 -17.27720 1.000 42.62144  ? 37  TRP A CG  1 
ATOM   311 C  CD1 . TRP A 1 37 ? -19.03326 25.70050 -17.54906 1.000 62.12299  ? 37  TRP A CD1 1 
ATOM   312 C  CD2 . TRP A 1 37 ? -21.05576 24.75781 -17.63070 1.000 38.09489  ? 37  TRP A CD2 1 
ATOM   313 N  NE1 . TRP A 1 37 ? -19.90776 26.63316 -18.04775 1.000 55.97668  ? 37  TRP A NE1 1 
ATOM   314 C  CE2 . TRP A 1 37 ? -21.15745 26.07701 -18.10754 1.000 42.12235  ? 37  TRP A CE2 1 
ATOM   315 C  CE3 . TRP A 1 37 ? -22.20228 23.96334 -17.59341 1.000 40.37954  ? 37  TRP A CE3 1 
ATOM   316 C  CZ2 . TRP A 1 37 ? -22.35811 26.61961 -18.54205 1.000 53.93538  ? 37  TRP A CZ2 1 
ATOM   317 C  CZ3 . TRP A 1 37 ? -23.39462 24.50441 -18.02560 1.000 48.25223  ? 37  TRP A CZ3 1 
ATOM   318 C  CH2 . TRP A 1 37 ? -23.46469 25.81917 -18.49269 1.000 48.89417  ? 37  TRP A CH2 1 
ATOM   319 N  N   . ASN A 1 38 ? -16.67955 22.45724 -15.02991 1.000 45.36065  ? 38  ASN A N   1 
ATOM   320 C  CA  . ASN A 1 38 ? -16.33847 21.56845 -13.93398 1.000 37.30806  ? 38  ASN A CA  1 
ATOM   321 C  C   . ASN A 1 38 ? -17.59894 21.27409 -13.13924 1.000 33.56338  ? 38  ASN A C   1 
ATOM   322 O  O   . ASN A 1 38 ? -18.35431 22.19236 -12.80887 1.000 35.84272  ? 38  ASN A O   1 
ATOM   323 C  CB  . ASN A 1 38 ? -15.27389 22.19613 -13.04204 1.000 35.65026  ? 38  ASN A CB  1 
ATOM   324 C  CG  . ASN A 1 38 ? -13.94894 21.51399 -13.18281 1.000 41.01420  ? 38  ASN A CG  1 
ATOM   325 O  OD1 . ASN A 1 38 ? -13.86513 20.29110 -13.10312 1.000 55.95185  ? 38  ASN A OD1 1 
ATOM   326 N  ND2 . ASN A 1 38 ? -12.90277 22.29098 -13.42334 1.000 63.88686  ? 38  ASN A ND2 1 
ATOM   327 N  N   . ALA A 1 39 ? -17.83333 19.99684 -12.84734 1.000 32.70080  ? 39  ALA A N   1 
ATOM   328 C  CA  . ALA A 1 39 ? -19.05716 19.59586 -12.17449 1.000 32.66119  ? 39  ALA A CA  1 
ATOM   329 C  C   . ALA A 1 39 ? -18.75625 18.55995 -11.10031 1.000 35.55059  ? 39  ALA A C   1 
ATOM   330 O  O   . ALA A 1 39 ? -17.67938 17.95947 -11.05972 1.000 40.07860  ? 39  ALA A O   1 
ATOM   331 C  CB  . ALA A 1 39 ? -20.08454 19.04787 -13.17074 1.000 32.50039  ? 39  ALA A CB  1 
ATOM   332 N  N   . GLU A 1 40 ? -19.73409 18.37439 -10.21770 1.000 37.12792  ? 40  GLU A N   1 
ATOM   333 C  CA  . GLU A 1 40 ? -19.70344 17.38230 -9.15565  1.000 32.68288  ? 40  GLU A CA  1 
ATOM   334 C  C   . GLU A 1 40 ? -21.03529 16.64566 -9.17769  1.000 36.17559  ? 40  GLU A C   1 
ATOM   335 O  O   . GLU A 1 40 ? -22.08621 17.26711 -9.35901  1.000 39.45022  ? 40  GLU A O   1 
ATOM   336 C  CB  . GLU A 1 40 ? -19.46289 18.05150 -7.78450  1.000 33.21839  ? 40  GLU A CB  1 
ATOM   337 C  CG  . GLU A 1 40 ? -19.04024 17.10579 -6.66557  1.000 40.28340  ? 40  GLU A CG  1 
ATOM   338 C  CD  . GLU A 1 40 ? -18.64111 17.83762 -5.38591  1.000 60.10542  ? 40  GLU A CD  1 
ATOM   339 O  OE1 . GLU A 1 40 ? -18.79067 19.07567 -5.32896  1.000 80.20617  ? 40  GLU A OE1 1 
ATOM   340 O  OE2 . GLU A 1 40 ? -18.17894 17.17466 -4.43301  1.000 64.42812  ? 40  GLU A OE2 1 
ATOM   341 N  N   . ASN A 1 41 ? -21.00179 15.32557 -9.01661  1.000 37.63584  ? 41  ASN A N   1 
ATOM   342 C  CA  . ASN A 1 41 ? -22.22950 14.54951 -9.07276  1.000 37.50977  ? 41  ASN A CA  1 
ATOM   343 C  C   . ASN A 1 41 ? -22.72613 14.22534 -7.66321  1.000 39.52685  ? 41  ASN A C   1 
ATOM   344 O  O   . ASN A 1 41 ? -22.13753 14.61978 -6.65277  1.000 36.13093  ? 41  ASN A O   1 
ATOM   345 C  CB  . ASN A 1 41 ? -22.03923 13.28035 -9.91093  1.000 36.26895  ? 41  ASN A CB  1 
ATOM   346 C  CG  . ASN A 1 41 ? -21.07899 12.28494 -9.28206  1.000 44.84630  ? 41  ASN A CG  1 
ATOM   347 O  OD1 . ASN A 1 41 ? -20.69698 12.40774 -8.11938  1.000 44.94479  ? 41  ASN A OD1 1 
ATOM   348 N  ND2 . ASN A 1 41 ? -20.68926 11.28182 -10.05911 1.000 40.61846  ? 41  ASN A ND2 1 
ATOM   349 N  N   . VAL A 1 42 ? -23.84090 13.49172 -7.61135  1.000 49.59451  ? 42  VAL A N   1 
ATOM   350 C  CA  . VAL A 1 42 ? -24.51354 13.19302 -6.35055  1.000 38.57004  ? 42  VAL A CA  1 
ATOM   351 C  C   . VAL A 1 42 ? -23.58501 12.49691 -5.36873  1.000 44.10564  ? 42  VAL A C   1 
ATOM   352 O  O   . VAL A 1 42 ? -23.76456 12.60800 -4.15081  1.000 53.88942  ? 42  VAL A O   1 
ATOM   353 C  CB  . VAL A 1 42 ? -25.76881 12.34102 -6.61501  1.000 34.03135  ? 42  VAL A CB  1 
ATOM   354 C  CG1 . VAL A 1 42 ? -25.38846 11.04280 -7.30911  1.000 55.79200  ? 42  VAL A CG1 1 
ATOM   355 C  CG2 . VAL A 1 42 ? -26.48724 12.06018 -5.31683  1.000 67.86927  ? 42  VAL A CG2 1 
ATOM   356 N  N   . GLU A 1 43 ? -22.59596 11.75958 -5.86472  1.000 51.00464  ? 43  GLU A N   1 
ATOM   357 C  CA  . GLU A 1 43 ? -21.71032 10.98273 -5.00972  1.000 39.14775  ? 43  GLU A CA  1 
ATOM   358 C  C   . GLU A 1 43 ? -20.39205 11.68845 -4.72882  1.000 47.41166  ? 43  GLU A C   1 
ATOM   359 O  O   . GLU A 1 43 ? -19.47522 11.07079 -4.18072  1.000 46.38140  ? 43  GLU A O   1 
ATOM   360 C  CB  . GLU A 1 43 ? -21.45546 9.61096  -5.63233  1.000 43.51329  ? 43  GLU A CB  1 
ATOM   361 C  CG  . GLU A 1 43 ? -22.71335 8.76426  -5.73541  1.000 68.20342  ? 43  GLU A CG  1 
ATOM   362 C  CD  . GLU A 1 43 ? -22.46794 7.41957  -6.38500  1.000 93.89216  ? 43  GLU A CD  1 
ATOM   363 O  OE1 . GLU A 1 43 ? -21.33372 7.18052  -6.84857  1.000 120.51770 ? 43  GLU A OE1 1 
ATOM   364 O  OE2 . GLU A 1 43 ? -23.40974 6.59974  -6.43179  1.000 103.26110 ? 43  GLU A OE2 1 
ATOM   365 N  N   . GLY A 1 44 ? -20.27562 12.96511 -5.08254  1.000 50.24071  ? 44  GLY A N   1 
ATOM   366 C  CA  . GLY A 1 44 ? -19.06858 13.70758 -4.80253  1.000 36.02242  ? 44  GLY A CA  1 
ATOM   367 C  C   . GLY A 1 44 ? -17.96335 13.55164 -5.82023  1.000 40.56871  ? 44  GLY A C   1 
ATOM   368 O  O   . GLY A 1 44 ? -16.87190 14.09201 -5.60982  1.000 47.89964  ? 44  GLY A O   1 
ATOM   369 N  N   . LYS A 1 45 ? -18.19871 12.83513 -6.91208  1.000 38.83502  ? 45  LYS A N   1 
ATOM   370 C  CA  . LYS A 1 45 ? -17.18456 12.69846 -7.94293  1.000 40.55579  ? 45  LYS A CA  1 
ATOM   371 C  C   . LYS A 1 45 ? -17.12574 13.97863 -8.76650  1.000 44.17139  ? 45  LYS A C   1 
ATOM   372 O  O   . LYS A 1 45 ? -18.16229 14.52861 -9.14945  1.000 39.72000  ? 45  LYS A O   1 
ATOM   373 C  CB  . LYS A 1 45 ? -17.48831 11.49547 -8.83032  1.000 40.68391  ? 45  LYS A CB  1 
ATOM   374 C  CG  . LYS A 1 45 ? -16.39353 11.17061 -9.83412  1.000 58.06125  ? 45  LYS A CG  1 
ATOM   375 C  CD  . LYS A 1 45 ? -16.70316 9.86807  -10.56127 1.000 78.11302  ? 45  LYS A CD  1 
ATOM   376 C  CE  . LYS A 1 45 ? -15.59920 9.47327  -11.53326 1.000 78.18993  ? 45  LYS A CE  1 
ATOM   377 N  NZ  . LYS A 1 45 ? -15.88311 8.15317  -12.17220 1.000 72.36262  ? 45  LYS A NZ  1 
ATOM   378 N  N   . ARG A 1 46 ? -15.91383 14.46172 -9.01804  1.000 43.15472  ? 46  ARG A N   1 
ATOM   379 C  CA  . ARG A 1 46 ? -15.68449 15.69869 -9.74615  1.000 34.24547  ? 46  ARG A CA  1 
ATOM   380 C  C   . ARG A 1 46 ? -15.11356 15.39132 -11.12280 1.000 36.72980  ? 46  ARG A C   1 
ATOM   381 O  O   . ARG A 1 46 ? -14.38326 14.41377 -11.30340 1.000 48.68174  ? 46  ARG A O   1 
ATOM   382 C  CB  . ARG A 1 46 ? -14.72909 16.61337 -8.97673  1.000 33.30506  ? 46  ARG A CB  1 
ATOM   383 C  CG  . ARG A 1 46 ? -15.22581 16.95532 -7.59064  1.000 39.47114  ? 46  ARG A CG  1 
ATOM   384 C  CD  . ARG A 1 46 ? -14.22688 17.78324 -6.80222  1.000 49.42145  ? 46  ARG A CD  1 
ATOM   385 N  NE  . ARG A 1 46 ? -14.80043 18.23785 -5.54045  1.000 76.48793  ? 46  ARG A NE  1 
ATOM   386 C  CZ  . ARG A 1 46 ? -14.18149 19.02644 -4.67290  1.000 85.10622  ? 46  ARG A CZ  1 
ATOM   387 N  NH1 . ARG A 1 46 ? -12.95353 19.46656 -4.89335  1.000 82.34337  ? 46  ARG A NH1 1 
ATOM   388 N  NH2 . ARG A 1 46 ? -14.81147 19.38338 -3.55647  1.000 73.27035  ? 46  ARG A NH2 1 
ATOM   389 N  N   . GLY A 1 47 ? -15.45228 16.23111 -12.09264 1.000 39.74149  ? 47  GLY A N   1 
ATOM   390 C  CA  . GLY A 1 47 ? -14.98435 16.01742 -13.45029 1.000 36.84710  ? 47  GLY A CA  1 
ATOM   391 C  C   . GLY A 1 47 ? -15.58990 17.03141 -14.39559 1.000 35.92771  ? 47  GLY A C   1 
ATOM   392 O  O   . GLY A 1 47 ? -16.44448 17.83961 -14.01940 1.000 39.77888  ? 47  GLY A O   1 
ATOM   393 N  N   . LEU A 1 48 ? -15.12524 16.97255 -15.64077 1.000 41.91365  ? 48  LEU A N   1 
ATOM   394 C  CA  . LEU A 1 48 ? -15.56499 17.89444 -16.67460 1.000 35.80198  ? 48  LEU A CA  1 
ATOM   395 C  C   . LEU A 1 48 ? -16.82449 17.37215 -17.34656 1.000 31.13453  ? 48  LEU A C   1 
ATOM   396 O  O   . LEU A 1 48 ? -17.05422 16.16285 -17.42657 1.000 41.73209  ? 48  LEU A O   1 
ATOM   397 C  CB  . LEU A 1 48 ? -14.46620 18.09945 -17.71502 1.000 38.85300  ? 48  LEU A CB  1 
ATOM   398 C  CG  . LEU A 1 48 ? -13.17009 18.69669 -17.17030 1.000 40.59871  ? 48  LEU A CG  1 
ATOM   399 C  CD1 . LEU A 1 48 ? -12.12371 18.79749 -18.26007 1.000 44.69291  ? 48  LEU A CD1 1 
ATOM   400 C  CD2 . LEU A 1 48 ? -13.44344 20.05519 -16.56234 1.000 46.84696  ? 48  LEU A CD2 1 
ATOM   401 N  N   . ILE A 1 49 ? -17.65104 18.30325 -17.81400 1.000 33.66250  ? 49  ILE A N   1 
ATOM   402 C  CA  . ILE A 1 49 ? -18.85010 17.97512 -18.56725 1.000 33.67121  ? 49  ILE A CA  1 
ATOM   403 C  C   . ILE A 1 49 ? -18.95490 18.92095 -19.75079 1.000 37.01129  ? 49  ILE A C   1 
ATOM   404 O  O   . ILE A 1 49 ? -18.51959 20.07449 -19.69023 1.000 40.46585  ? 49  ILE A O   1 
ATOM   405 C  CB  . ILE A 1 49 ? -20.11460 18.06082 -17.70024 1.000 31.46848  ? 49  ILE A CB  1 
ATOM   406 C  CG1 . ILE A 1 49 ? -20.35586 19.50122 -17.26122 1.000 31.59113  ? 49  ILE A CG1 1 
ATOM   407 C  CG2 . ILE A 1 49 ? -19.97930 17.16179 -16.50175 1.000 33.22014  ? 49  ILE A CG2 1 
ATOM   408 C  CD1 . ILE A 1 49 ? -21.68097 19.68746 -16.57770 1.000 32.47522  ? 49  ILE A CD1 1 
ATOM   409 N  N   . HIS A 1 50 ? -19.53663 18.42035 -20.83588 1.000 35.84560  ? 50  HIS A N   1 
ATOM   410 C  CA  . HIS A 1 50 ? -19.78701 19.24526 -22.00642 1.000 34.92800  ? 50  HIS A CA  1 
ATOM   411 C  C   . HIS A 1 50 ? -21.09126 20.00289 -21.83710 1.000 34.25687  ? 50  HIS A C   1 
ATOM   412 O  O   . HIS A 1 50 ? -22.13527 19.40667 -21.55464 1.000 34.40841  ? 50  HIS A O   1 
ATOM   413 C  CB  . HIS A 1 50 ? -19.83632 18.39252 -23.27155 1.000 41.45439  ? 50  HIS A CB  1 
ATOM   414 C  CG  . HIS A 1 50 ? -18.48715 18.00847 -23.78143 1.000 42.53187  ? 50  HIS A CG  1 
ATOM   415 N  ND1 . HIS A 1 50 ? -17.74113 18.83194 -24.59617 1.000 46.83563  ? 50  HIS A ND1 1 
ATOM   416 C  CD2 . HIS A 1 50 ? -17.74025 16.89841 -23.57924 1.000 48.31148  ? 50  HIS A CD2 1 
ATOM   417 C  CE1 . HIS A 1 50 ? -16.59246 18.24385 -24.87761 1.000 49.35662  ? 50  HIS A CE1 1 
ATOM   418 N  NE2 . HIS A 1 50 ? -16.56695 17.06943 -24.27358 1.000 56.25768  ? 50  HIS A NE2 1 
ATOM   419 N  N   . VAL A 1 51 ? -21.02509 21.32010 -22.02851 1.000 33.80428  ? 51  VAL A N   1 
ATOM   420 C  CA  . VAL A 1 51 ? -22.20177 22.16261 -21.85506 1.000 34.81759  ? 51  VAL A CA  1 
ATOM   421 C  C   . VAL A 1 51 ? -23.34847 21.67675 -22.73126 1.000 37.26151  ? 51  VAL A C   1 
ATOM   422 O  O   . VAL A 1 51 ? -24.50342 21.63328 -22.29168 1.000 42.73682  ? 51  VAL A O   1 
ATOM   423 C  CB  . VAL A 1 51 ? -21.85006 23.62964 -22.15206 1.000 38.85314  ? 51  VAL A CB  1 
ATOM   424 C  CG1 . VAL A 1 51 ? -23.08541 24.48976 -22.02518 1.000 42.78680  ? 51  VAL A CG1 1 
ATOM   425 C  CG2 . VAL A 1 51 ? -20.75833 24.11155 -21.21056 1.000 36.28881  ? 51  VAL A CG2 1 
ATOM   426 N  N   . VAL A 1 52 ? -23.05671 21.30647 -23.97973 1.000 33.41852  ? 52  VAL A N   1 
ATOM   427 C  CA  . VAL A 1 52 ? -24.12486 20.94647 -24.90684 1.000 30.85589  ? 52  VAL A CA  1 
ATOM   428 C  C   . VAL A 1 52 ? -24.85519 19.67129 -24.51336 1.000 34.55736  ? 52  VAL A C   1 
ATOM   429 O  O   . VAL A 1 52 ? -25.93169 19.39870 -25.05385 1.000 41.08590  ? 52  VAL A O   1 
ATOM   430 C  CB  . VAL A 1 52 ? -23.58824 20.81836 -26.34843 1.000 30.63931  ? 52  VAL A CB  1 
ATOM   431 C  CG1 . VAL A 1 52 ? -23.08733 22.15882 -26.83510 1.000 35.20072  ? 52  VAL A CG1 1 
ATOM   432 C  CG2 . VAL A 1 52 ? -22.47760 19.79455 -26.42234 1.000 32.59729  ? 52  VAL A CG2 1 
ATOM   433 N  N   . LEU A 1 53 ? -24.32309 18.89138 -23.57684 1.000 36.40341  ? 53  LEU A N   1 
ATOM   434 C  CA  . LEU A 1 53 ? -24.97677 17.65557 -23.17199 1.000 33.53234  ? 53  LEU A CA  1 
ATOM   435 C  C   . LEU A 1 53 ? -25.87462 17.82140 -21.95449 1.000 31.73522  ? 53  LEU A C   1 
ATOM   436 O  O   . LEU A 1 53 ? -26.45201 16.83259 -21.49460 1.000 37.26323  ? 53  LEU A O   1 
ATOM   437 C  CB  . LEU A 1 53 ? -23.93568 16.56900 -22.88936 1.000 29.74459  ? 53  LEU A CB  1 
ATOM   438 C  CG  . LEU A 1 53 ? -23.12787 16.07779 -24.08784 1.000 33.51079  ? 53  LEU A CG  1 
ATOM   439 C  CD1 . LEU A 1 53 ? -22.21045 14.93356 -23.68488 1.000 32.28980  ? 53  LEU A CD1 1 
ATOM   440 C  CD2 . LEU A 1 53 ? -24.04269 15.66251 -25.22729 1.000 34.50569  ? 53  LEU A CD2 1 
ATOM   441 N  N   . VAL A 1 54 ? -26.01139 19.03353 -21.41874 1.000 36.42939  ? 54  VAL A N   1 
ATOM   442 C  CA  . VAL A 1 54 ? -26.81064 19.27316 -20.22350 1.000 38.89085  ? 54  VAL A CA  1 
ATOM   443 C  C   . VAL A 1 54 ? -27.63933 20.53481 -20.42636 1.000 32.29764  ? 54  VAL A C   1 
ATOM   444 O  O   . VAL A 1 54 ? -27.49456 21.25368 -21.41443 1.000 41.57823  ? 54  VAL A O   1 
ATOM   445 C  CB  . VAL A 1 54 ? -25.94575 19.39854 -18.94723 1.000 35.78493  ? 54  VAL A CB  1 
ATOM   446 C  CG1 . VAL A 1 54 ? -25.06008 18.18006 -18.77553 1.000 30.86868  ? 54  VAL A CG1 1 
ATOM   447 C  CG2 . VAL A 1 54 ? -25.10303 20.65514 -18.98916 1.000 31.57819  ? 54  VAL A CG2 1 
ATOM   448 N  N   . GLU A 1 55 ? -28.51788 20.79705 -19.46574 1.000 40.84001  ? 55  GLU A N   1 
ATOM   449 C  CA  . GLU A 1 55 ? -29.36574 21.97705 -19.47877 1.000 39.17897  ? 55  GLU A CA  1 
ATOM   450 C  C   . GLU A 1 55 ? -29.39344 22.57472 -18.08163 1.000 38.04274  ? 55  GLU A C   1 
ATOM   451 O  O   . GLU A 1 55 ? -29.17833 21.87394 -17.08863 1.000 38.22017  ? 55  GLU A O   1 
ATOM   452 C  CB  . GLU A 1 55 ? -30.79498 21.64529 -19.93058 1.000 39.52855  ? 55  GLU A CB  1 
ATOM   453 C  CG  . GLU A 1 55 ? -31.51163 20.65965 -19.01755 1.000 45.61519  ? 55  GLU A CG  1 
ATOM   454 C  CD  . GLU A 1 55 ? -32.89649 20.28396 -19.51696 1.000 69.96498  ? 55  GLU A CD  1 
ATOM   455 O  OE1 . GLU A 1 55 ? -33.32636 20.81751 -20.56249 1.000 67.76232  ? 55  GLU A OE1 1 
ATOM   456 O  OE2 . GLU A 1 55 ? -33.55655 19.45000 -18.85993 1.000 62.94800  ? 55  GLU A OE2 1 
ATOM   457 N  N   . LYS A 1 56 ? -29.65441 23.87913 -18.01284 1.000 48.23161  ? 56  LYS A N   1 
ATOM   458 C  CA  . LYS A 1 56 ? -29.77687 24.53832 -16.72111 1.000 48.12466  ? 56  LYS A CA  1 
ATOM   459 C  C   . LYS A 1 56 ? -30.93101 23.92994 -15.93866 1.000 55.61915  ? 56  LYS A C   1 
ATOM   460 O  O   . LYS A 1 56 ? -32.05061 23.80772 -16.44535 1.000 51.00171  ? 56  LYS A O   1 
ATOM   461 C  CB  . LYS A 1 56 ? -29.98867 26.04469 -16.89099 1.000 47.38009  ? 56  LYS A CB  1 
ATOM   462 C  CG  . LYS A 1 56 ? -28.71279 26.85254 -17.11447 1.000 69.18080  ? 56  LYS A CG  1 
ATOM   463 C  CD  . LYS A 1 56 ? -28.99506 28.35369 -17.03777 1.000 97.92104  ? 56  LYS A CD  1 
ATOM   464 C  CE  . LYS A 1 56 ? -27.73719 29.19242 -17.24222 1.000 83.25172  ? 56  LYS A CE  1 
ATOM   465 N  NZ  . LYS A 1 56 ? -27.16372 29.03944 -18.60905 1.000 63.28627  ? 56  LYS A NZ  1 
ATOM   466 N  N   . TYR A 1 57 ? -30.64081 23.52189 -14.70761 1.000 57.32613  ? 57  TYR A N   1 
ATOM   467 C  CA  . TYR A 1 57 ? -31.63071 23.00843 -13.77205 1.000 52.96455  ? 57  TYR A CA  1 
ATOM   468 C  C   . TYR A 1 57 ? -31.91906 24.00551 -12.66550 1.000 50.47603  ? 57  TYR A C   1 
ATOM   469 O  O   . TYR A 1 57 ? -33.07767 24.36278 -12.43414 1.000 59.82421  ? 57  TYR A O   1 
ATOM   470 C  CB  . TYR A 1 57 ? -31.13547 21.68763 -13.16810 1.000 36.94993  ? 57  TYR A CB  1 
ATOM   471 C  CG  . TYR A 1 57 ? -32.22077 20.79920 -12.62698 1.000 38.06233  ? 57  TYR A CG  1 
ATOM   472 C  CD1 . TYR A 1 57 ? -33.31930 20.46961 -13.40040 1.000 51.15375  ? 57  TYR A CD1 1 
ATOM   473 C  CD2 . TYR A 1 57 ? -32.13395 20.26436 -11.35250 1.000 55.46227  ? 57  TYR A CD2 1 
ATOM   474 C  CE1 . TYR A 1 57 ? -34.31317 19.64551 -12.91675 1.000 47.35603  ? 57  TYR A CE1 1 
ATOM   475 C  CE2 . TYR A 1 57 ? -33.12511 19.43782 -10.85749 1.000 58.32011  ? 57  TYR A CE2 1 
ATOM   476 C  CZ  . TYR A 1 57 ? -34.21195 19.13122 -11.64786 1.000 59.02243  ? 57  TYR A CZ  1 
ATOM   477 O  OH  . TYR A 1 57 ? -35.20591 18.30954 -11.17216 1.000 74.91315  ? 57  TYR A OH  1 
ATOM   478 N  N   . GLY A 1 58 ? -30.87125 24.46527 -11.98595 1.000 81.86619  ? 58  GLY A N   1 
ATOM   479 C  CA  . GLY A 1 58 ? -30.94564 25.54813 -11.02319 1.000 100.91923 ? 58  GLY A CA  1 
ATOM   480 C  C   . GLY A 1 58 ? -29.61513 26.28181 -10.94527 1.000 82.21199  ? 58  GLY A C   1 
ATOM   481 O  O   . GLY A 1 58 ? -29.49532 27.34326 -10.33000 1.000 87.12336  ? 58  GLY A O   1 
HETATM 482 CU CU  . CU  B 2 .  ? -17.22624 13.11320 -23.44271 1.000 75.37710  ? 101 CU  A CU  1 
HETATM 483 CU CU  . CU  C 2 .  ? -15.03648 15.73131 -24.70663 1.000 160.26866 ? 102 CU  A CU  1 
HETATM 484 C  C1  . EDO D 3 .  ? -32.13715 23.49922 -7.86606  1.000 54.60638  ? 103 EDO A C1  1 
HETATM 485 O  O1  . EDO D 3 .  ? -33.15995 22.88742 -8.61953  1.000 66.45660  ? 103 EDO A O1  1 
HETATM 486 C  C2  . EDO D 3 .  ? -32.56228 24.91630 -7.58582  1.000 57.02739  ? 103 EDO A C2  1 
HETATM 487 O  O2  . EDO D 3 .  ? -31.71814 25.53787 -6.63992  1.000 81.57160  ? 103 EDO A O2  1 
HETATM 488 H  H11 . EDO D 3 .  ? -31.29221 23.50442 -8.34246  1.000 65.78432  ? 103 EDO A H11 1 
HETATM 489 H  H12 . EDO D 3 .  ? -31.98176 23.03747 -7.02729  1.000 65.78432  ? 103 EDO A H12 1 
HETATM 490 H  HO1 . EDO D 3 .  ? -32.92131 22.08992 -8.79143  1.000 80.00459  ? 103 EDO A HO1 1 
HETATM 491 H  H21 . EDO D 3 .  ? -33.48320 24.88332 -7.28297  1.000 68.68953  ? 103 EDO A H21 1 
HETATM 492 H  H22 . EDO D 3 .  ? -32.56398 25.38674 -8.43410  1.000 68.68953  ? 103 EDO A H22 1 
HETATM 493 H  HO2 . EDO D 3 .  ? -30.96270 25.66995 -7.00648  1.000 98.14259  ? 103 EDO A HO2 1 
HETATM 494 C  C1  . EDO E 3 .  ? -30.01922 18.93910 -27.22887 1.000 65.24685  ? 104 EDO A C1  1 
HETATM 495 O  O1  . EDO E 3 .  ? -30.20105 20.27852 -26.82817 1.000 61.87282  ? 104 EDO A O1  1 
HETATM 496 C  C2  . EDO E 3 .  ? -30.89051 18.58200 -28.41169 1.000 62.11017  ? 104 EDO A C2  1 
HETATM 497 O  O2  . EDO E 3 .  ? -30.50327 19.27668 -29.58041 1.000 46.67171  ? 104 EDO A O2  1 
HETATM 498 H  H11 . EDO E 3 .  ? -30.22914 18.33028 -26.50350 1.000 78.55288  ? 104 EDO A H11 1 
HETATM 499 H  H12 . EDO E 3 .  ? -29.09502 18.77425 -27.47296 1.000 78.55288  ? 104 EDO A H12 1 
HETATM 500 H  HO1 . EDO E 3 .  ? -29.65501 20.44276 -26.19780 1.000 74.50405  ? 104 EDO A HO1 1 
HETATM 501 H  H21 . EDO E 3 .  ? -31.80633 18.77945 -28.16032 1.000 74.78887  ? 104 EDO A H21 1 
HETATM 502 H  H22 . EDO E 3 .  ? -30.83369 17.62054 -28.52690 1.000 74.78887  ? 104 EDO A H22 1 
HETATM 503 H  HO2 . EDO E 3 .  ? -29.70778 19.04718 -29.77284 1.000 56.26271  ? 104 EDO A HO2 1 
HETATM 504 O  O   . HOH F 4 .  ? 1.393     24.872   -26.582   1.000 41.66341  ? 201 HOH A O   1 
HETATM 505 O  O   . HOH F 4 .  ? -25.36485 13.28922 -9.62353  1.000 43.89477  ? 202 HOH A O   1 
HETATM 506 O  O   . HOH F 4 .  ? -13.29382 27.15763 -24.80216 1.000 43.07283  ? 203 HOH A O   1 
HETATM 507 O  O   . HOH F 4 .  ? 8.92297   31.23709 -21.99801 1.000 50.45663  ? 204 HOH A O   1 
HETATM 508 O  O   . HOH F 4 .  ? -19.53930 15.78862 -21.19116 1.000 40.87579  ? 205 HOH A O   1 
HETATM 509 O  O   . HOH F 4 .  ? -29.930   6.277    -18.693   1.000 53.00718  ? 206 HOH A O   1 
HETATM 510 O  O   . HOH F 4 .  ? -18.80586 17.74977 -1.86088  1.000 63.55747  ? 207 HOH A O   1 
HETATM 511 O  O   . HOH F 4 .  ? -31.02304 11.18192 -24.03451 1.000 42.69236  ? 208 HOH A O   1 
HETATM 512 O  O   . HOH F 4 .  ? -15.136   25.846   -21.924   1.000 46.41550  ? 209 HOH A O   1 
HETATM 513 O  O   . HOH F 4 .  ? -20.24629 21.49406 -24.87581 1.000 38.07158  ? 210 HOH A O   1 
HETATM 514 O  O   . HOH F 4 .  ? -18.61233 9.50357  -23.90516 1.000 54.18140  ? 211 HOH A O   1 
HETATM 515 O  O   . HOH F 4 .  ? -28.72828 22.75189 -23.59456 1.000 50.25796  ? 212 HOH A O   1 
HETATM 516 O  O   . HOH F 4 .  ? -25.60473 26.37154 -4.89614  1.000 40.41149  ? 213 HOH A O   1 
HETATM 517 O  O   . HOH F 4 .  ? -19.95469 8.49717  -9.30629  1.000 49.80862  ? 214 HOH A O   1 
HETATM 518 O  O   . HOH F 4 .  ? -5.532    28.300   -34.930   1.000 34.13736  ? 215 HOH A O   1 
HETATM 519 O  O   . HOH F 4 .  ? -18.49007 5.41213  -17.83874 1.000 42.19407  ? 216 HOH A O   1 
HETATM 520 O  O   . HOH F 4 .  ? -29.79964 25.39978 -20.92340 1.000 46.45961  ? 217 HOH A O   1 
HETATM 521 O  O   . HOH F 4 .  ? -18.01391 27.59807 -20.81618 1.000 59.19090  ? 218 HOH A O   1 
HETATM 522 O  O   . HOH F 4 .  ? -26.84811 25.12707 -20.82892 1.000 49.77122  ? 219 HOH A O   1 
HETATM 523 O  O   . HOH F 4 .  ? -20.43580 28.14732 -22.60404 1.000 59.84232  ? 220 HOH A O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1   N N   . ALA A 1  ? 1.13246 1.07377 1.07714 0.11647  0.04726  -0.08521 1  ALA A N   
2   C CA  . ALA A 1  ? 1.35283 1.27437 1.28179 0.12185  0.05059  -0.09181 1  ALA A CA  
3   C C   . ALA A 1  ? 1.18039 1.10361 1.11764 0.10448  0.05000  -0.09099 1  ALA A C   
4   O O   . ALA A 1  ? 1.12727 1.02047 1.06036 0.09475  0.05004  -0.09289 1  ALA A O   
5   C CB  . ALA A 1  ? 1.17638 1.11888 1.09702 0.13989  0.05307  -0.09506 1  ALA A CB  
6   N N   . GLU A 2  ? 0.99803 0.95701 0.94676 0.10083  0.04956  -0.08823 2  GLU A N   
7   C CA  . GLU A 2  ? 0.54865 0.51415 0.50667 0.08449  0.04879  -0.08656 2  GLU A CA  
8   C C   . GLU A 2  ? 0.51431 0.50378 0.49325 0.06844  0.04537  -0.07863 2  GLU A C   
9   O O   . GLU A 2  ? 0.57964 0.56167 0.56554 0.05240  0.04394  -0.07659 2  GLU A O   
10  C CB  . GLU A 2  ? 0.79677 0.78315 0.75135 0.09091  0.05115  -0.08938 2  GLU A CB  
11  C CG  . GLU A 2  ? 1.00372 0.96674 0.93685 0.10633  0.05467  -0.09750 2  GLU A CG  
12  C CD  . GLU A 2  ? 1.30462 1.23461 1.22897 0.09785  0.05559  -0.10210 2  GLU A CD  
13  O OE1 . GLU A 2  ? 1.23662 1.17494 1.17065 0.08342  0.05447  -0.10014 2  GLU A OE1 
14  O OE2 . GLU A 2  ? 1.26999 1.16575 1.17743 0.10557  0.05751  -0.10775 2  GLU A OE2 
15  N N   . TYR A 3  ? 0.45964 0.47716 0.44822 0.07240  0.04402  -0.07426 3  TYR A N   
16  C CA  . TYR A 3  ? 0.42945 0.47210 0.43747 0.05764  0.04099  -0.06676 3  TYR A CA  
17  C C   . TYR A 3  ? 0.43716 0.48118 0.45032 0.06002  0.03871  -0.06340 3  TYR A C   
18  O O   . TYR A 3  ? 0.55056 0.59064 0.55442 0.07602  0.03975  -0.06627 3  TYR A O   
19  C CB  . TYR A 3  ? 0.43944 0.52395 0.45689 0.05783  0.04169  -0.06424 3  TYR A CB  
20  C CG  . TYR A 3  ? 0.41258 0.49731 0.42401 0.05746  0.04411  -0.06782 3  TYR A CG  
21  C CD1 . TYR A 3  ? 0.43184 0.51093 0.42799 0.07388  0.04724  -0.07428 3  TYR A CD1 
22  C CD2 . TYR A 3  ? 0.41313 0.50296 0.43344 0.04101  0.04325  -0.06482 3  TYR A CD2 
23  C CE1 . TYR A 3  ? 0.43750 0.51640 0.42784 0.07368  0.04936  -0.07775 3  TYR A CE1 
24  C CE2 . TYR A 3  ? 0.41278 0.50287 0.42738 0.04093  0.04536  -0.06821 3  TYR A CE2 
25  C CZ  . TYR A 3  ? 0.47170 0.55641 0.47151 0.05715  0.04838  -0.07473 3  TYR A CZ  
26  O OH  . TYR A 3  ? 0.52721 0.61207 0.52106 0.05718  0.05041  -0.07829 3  TYR A OH  
27  N N   . VAL A 4  ? 0.45014 0.49936 0.47765 0.04422  0.03558  -0.05733 4  VAL A N   
28  C CA  . VAL A 4  ? 0.42929 0.48188 0.46361 0.04421  0.03299  -0.05353 4  VAL A CA  
29  C C   . VAL A 4  ? 0.48668 0.57481 0.53980 0.03200  0.03063  -0.04659 4  VAL A C   
30  O O   . VAL A 4  ? 0.43872 0.54128 0.49940 0.02060  0.03073  -0.04420 4  VAL A O   
31  C CB  . VAL A 4  ? 0.40066 0.41630 0.43187 0.03692  0.03131  -0.05324 4  VAL A CB  
32  C CG1 . VAL A 4  ? 0.43375 0.41410 0.44574 0.04908  0.03395  -0.06015 4  VAL A CG1 
33  C CG2 . VAL A 4  ? 0.37141 0.37993 0.41109 0.01723  0.02973  -0.05004 4  VAL A CG2 
34  N N   . ARG A 5  ? 0.39623 0.49826 0.45636 0.03459  0.02858  -0.04345 5  ARG A N   
35  C CA  . ARG A 5  ? 0.34173 0.47466 0.41946 0.02233  0.02608  -0.03680 5  ARG A CA  
36  C C   . ARG A 5  ? 0.43725 0.55474 0.52059 0.01418  0.02269  -0.03309 5  ARG A C   
37  O O   . ARG A 5  ? 0.46792 0.56824 0.54381 0.02463  0.02228  -0.03529 5  ARG A O   
38  C CB  . ARG A 5  ? 0.34222 0.51386 0.42479 0.03294  0.02674  -0.03644 5  ARG A CB  
39  C CG  . ARG A 5  ? 0.42512 0.62827 0.52552 0.02047  0.02416  -0.02983 5  ARG A CG  
40  C CD  . ARG A 5  ? 0.40419 0.64996 0.51042 0.02864  0.02536  -0.02964 5  ARG A CD  
41  N NE  . ARG A 5  ? 0.57689 0.82575 0.67534 0.04817  0.02582  -0.03347 5  ARG A NE  
42  C CZ  . ARG A 5  ? 0.65618 0.93836 0.75607 0.05995  0.02720  -0.03486 5  ARG A CZ  
43  N NH1 . ARG A 5  ? 0.61360 0.92987 0.72281 0.05401  0.02842  -0.03272 5  ARG A NH1 
44  N NH2 . ARG A 5  ? 0.70719 0.98853 0.79852 0.07843  0.02749  -0.03852 5  ARG A NH2 
45  N N   . ALA A 6  ? 0.44060 0.56361 0.53635 -0.00409 0.02035  -0.02746 6  ALA A N   
46  C CA  . ALA A 6  ? 0.35413 0.46039 0.45504 -0.01341 0.01707  -0.02378 6  ALA A CA  
47  C C   . ALA A 6  ? 0.35293 0.48218 0.46204 -0.00954 0.01498  -0.02093 6  ALA A C   
48  O O   . ALA A 6  ? 0.37302 0.53819 0.49170 -0.01106 0.01498  -0.01848 6  ALA A O   
49  C CB  . ALA A 6  ? 0.33709 0.44245 0.44787 -0.03381 0.01529  -0.01866 6  ALA A CB  
50  N N   . LEU A 7  ? 0.37520 0.48398 0.48054 -0.00480 0.01325  -0.02132 7  LEU A N   
51  C CA  . LEU A 7  ? 0.30316 0.43032 0.41566 -0.00108 0.01088  -0.01885 7  LEU A CA  
52  C C   . LEU A 7  ? 0.29776 0.42908 0.42374 -0.01866 0.00720  -0.01241 7  LEU A C   
53  O O   . LEU A 7  ? 0.42000 0.57482 0.55519 -0.01918 0.00509  -0.00956 7  LEU A O   
54  C CB  . LEU A 7  ? 0.35198 0.45466 0.45249 0.01424  0.01096  -0.02264 7  LEU A CB  
55  C CG  . LEU A 7  ? 0.39230 0.48881 0.47755 0.03397  0.01450  -0.02918 7  LEU A CG  
56  C CD1 . LEU A 7  ? 0.46553 0.52722 0.53711 0.04540  0.01478  -0.03252 7  LEU A CD1 
57  C CD2 . LEU A 7  ? 0.34188 0.47731 0.43123 0.04517  0.01505  -0.02970 7  LEU A CD2 
58  N N   . PHE A 8  ? 0.35561 0.46446 0.48249 -0.03271 0.00634  -0.01027 8  PHE A N   
59  C CA  . PHE A 8  ? 0.39999 0.50941 0.53819 -0.04957 0.00292  -0.00418 8  PHE A CA  
60  C C   . PHE A 8  ? 0.32395 0.42950 0.46555 -0.06504 0.00330  -0.00169 8  PHE A C   
61  O O   . PHE A 8  ? 0.37665 0.46950 0.51022 -0.06261 0.00581  -0.00518 8  PHE A O   
62  C CB  . PHE A 8  ? 0.37401 0.45108 0.50818 -0.04998 0.00065  -0.00384 8  PHE A CB  
63  C CG  . PHE A 8  ? 0.37467 0.44826 0.50262 -0.03361 0.00050  -0.00682 8  PHE A CG  
64  C CD1 . PHE A 8  ? 0.35129 0.40179 0.46427 -0.01857 0.00314  -0.01268 8  PHE A CD1 
65  C CD2 . PHE A 8  ? 0.44261 0.53471 0.57900 -0.03332 -0.00228 -0.00384 8  PHE A CD2 
66  C CE1 . PHE A 8  ? 0.42342 0.46920 0.52941 -0.00290 0.00314  -0.01533 8  PHE A CE1 
67  C CE2 . PHE A 8  ? 0.39673 0.48543 0.52684 -0.01756 -0.00250 -0.00664 8  PHE A CE2 
68  C CZ  . PHE A 8  ? 0.36254 0.42770 0.47716 -0.00211 0.00027  -0.01228 8  PHE A CZ  
69  N N   . ASP A 9  ? 0.41210 0.52799 0.56509 -0.08089 0.00074  0.00432  9  ASP A N   
70  C CA  . ASP A 9  ? 0.31477 0.41942 0.46980 -0.09615 0.00043  0.00717  9  ASP A CA  
71  C C   . ASP A 9  ? 0.39312 0.45772 0.54016 -0.09740 -0.00040 0.00549  9  ASP A C   
72  O O   . ASP A 9  ? 0.50525 0.55288 0.64922 -0.09193 -0.00189 0.00466  9  ASP A O   
73  C CB  . ASP A 9  ? 0.39104 0.51325 0.55882 -0.11242 -0.00220 0.01412  9  ASP A CB  
74  C CG  . ASP A 9  ? 0.47041 0.63320 0.64672 -0.11266 -0.00126 0.01595  9  ASP A CG  
75  O OD1 . ASP A 9  ? 0.62128 0.79927 0.79472 -0.10591 0.00182  0.01306  9  ASP A OD1 
76  O OD2 . ASP A 9  ? 0.68513 0.86490 0.87095 -0.11972 -0.00358 0.02019  9  ASP A OD2 
77  N N   . HIS A 10 ? 0.42691 0.47675 0.57040 -0.10453 0.00065  0.00484  10 HIS A N   
78  C CA  . HIS A 10 ? 0.31029 0.32352 0.44660 -0.10699 0.00004  0.00308  10 HIS A CA  
79  C C   . HIS A 10 ? 0.49253 0.49980 0.63254 -0.12289 -0.00089 0.00651  10 HIS A C   
80  O O   . HIS A 10 ? 0.46623 0.48722 0.60707 -0.12641 0.00083  0.00648  10 HIS A O   
81  C CB  . HIS A 10 ? 0.30599 0.30009 0.42894 -0.09376 0.00317  -0.00416 10 HIS A CB  
82  C CG  . HIS A 10 ? 0.43669 0.39377 0.55203 -0.09650 0.00290  -0.00643 10 HIS A CG  
83  N ND1 . HIS A 10 ? 0.58196 0.52502 0.69292 -0.10238 0.00414  -0.00855 10 HIS A ND1 
84  C CD2 . HIS A 10 ? 0.42445 0.35633 0.53596 -0.09448 0.00155  -0.00691 10 HIS A CD2 
85  C CE1 . HIS A 10 ? 0.55544 0.46682 0.66043 -0.10404 0.00361  -0.01040 10 HIS A CE1 
86  N NE2 . HIS A 10 ? 0.61719 0.52085 0.72228 -0.09937 0.00214  -0.00935 10 HIS A NE2 
87  N N   . THR A 11 ? 0.42351 0.41053 0.56134 -0.13009 -0.00280 0.00855  11 THR A N   
88  C CA  . THR A 11 ? 0.43122 0.41184 0.55223 -0.13008 0.00319  0.00424  11 THR A CA  
89  C C   . THR A 11 ? 0.43849 0.39491 0.54043 -0.12650 0.00425  0.00062  11 THR A C   
90  O O   . THR A 11 ? 0.56255 0.49711 0.65280 -0.12255 0.00151  0.00040  11 THR A O   
91  C CB  . THR A 11 ? 0.52469 0.50117 0.63727 -0.12497 0.00595  0.00285  11 THR A CB  
92  O OG1 . THR A 11 ? 0.57959 0.57841 0.70697 -0.12820 0.00429  0.00641  11 THR A OG1 
93  C CG2 . THR A 11 ? 0.64819 0.61798 0.75140 -0.11794 0.01142  -0.00133 11 THR A CG2 
94  N N   . GLY A 12 ? 0.62773 0.58626 0.52460 0.02998  0.04550  0.04095  12 GLY A N   
95  C CA  . GLY A 12 ? 0.58942 0.54969 0.50082 0.02726  0.05286  0.03157  12 GLY A CA  
96  C C   . GLY A 12 ? 0.62308 0.59089 0.54058 0.02766  0.05659  0.02144  12 GLY A C   
97  O O   . GLY A 12 ? 0.81527 0.78715 0.72747 0.03013  0.04999  0.01854  12 GLY A O   
98  N N   . HIS A 13 ? 0.59163 0.56126 0.52061 0.02507  0.06760  0.01592  13 HIS A N   
99  C CA  . HIS A 13 ? 0.61013 0.58684 0.54631 0.02504  0.07283  0.00615  13 HIS A CA  
100 C C   . HIS A 13 ? 0.61241 0.58968 0.56134 0.02175  0.08533  0.00162  13 HIS A C   
101 O O   . HIS A 13 ? 0.63134 0.60339 0.58341 0.01950  0.08927  0.00572  13 HIS A O   
102 C CB  . HIS A 13 ? 0.60170 0.58187 0.52807 0.02682  0.07827  0.01204  13 HIS A CB  
103 C CG  . HIS A 13 ? 0.60611 0.58363 0.52805 0.02549  0.09166  0.02375  13 HIS A CG  
104 N ND1 . HIS A 13 ? 0.62518 0.60524 0.55451 0.02339  0.10607  0.02215  13 HIS A ND1 
105 C CD2 . HIS A 13 ? 0.66388 0.63640 0.57518 0.02593  0.09287  0.03734  13 HIS A CD2 
106 C CE1 . HIS A 13 ? 0.75397 0.73074 0.67743 0.02261  0.11558  0.03431  13 HIS A CE1 
107 N NE2 . HIS A 13 ? 0.70266 0.67484 0.61524 0.02413  0.10787  0.04374  13 HIS A NE2 
108 N N   . ASP A 14 ? 0.72296 0.70644 0.67920 0.02137  0.09179  -0.00679 14 ASP A N   
109 C CA  . ASP A 14 ? 0.69852 0.68332 0.66753 0.01830  0.10326  -0.01242 14 ASP A CA  
110 C C   . ASP A 14 ? 0.62472 0.61118 0.59169 0.01749  0.11873  -0.00621 14 ASP A C   
111 O O   . ASP A 14 ? 0.68906 0.67796 0.64659 0.01942  0.12036  -0.00101 14 ASP A O   
112 C CB  . ASP A 14 ? 0.68485 0.67567 0.66567 0.01811  0.09967  -0.02747 14 ASP A CB  
113 C CG  . ASP A 14 ? 1.01980 1.00907 1.00565 0.01813  0.08591  -0.03449 14 ASP A CG  
114 O OD1 . ASP A 14 ? 0.95808 0.94133 0.94263 0.01692  0.08265  -0.02943 14 ASP A OD1 
115 O OD2 . ASP A 14 ? 1.26596 1.26013 1.25731 0.01928  0.07844  -0.04511 14 ASP A OD2 
116 N N   . GLU A 15 ? 0.60661 0.59168 0.58261 0.01444  0.13015  -0.00677 15 GLU A N   
117 C CA  . GLU A 15 ? 0.67447 0.66210 0.65238 0.01318  0.14558  -0.00399 15 GLU A CA  
118 C C   . GLU A 15 ? 0.61181 0.60241 0.60501 0.01051  0.15225  -0.01514 15 GLU A C   
119 O O   . GLU A 15 ? 0.66397 0.65250 0.66544 0.00891  0.14734  -0.02135 15 GLU A O   
120 C CB  . GLU A 15 ? 0.61490 0.59683 0.58694 0.01201  0.15505  0.00982  15 GLU A CB  
121 C CG  . GLU A 15 ? 0.94840 0.92657 0.90570 0.01438  0.14812  0.02161  15 GLU A CG  
122 C CD  . GLU A 15 ? 1.07223 1.04923 1.02156 0.01434  0.15952  0.03452  15 GLU A CD  
123 O OE1 . GLU A 15 ? 1.37380 1.35526 1.31610 0.01603  0.16107  0.03679  15 GLU A OE1 
124 O OE2 . GLU A 15 ? 1.47274 1.44442 1.42293 0.01252  0.16699  0.04245  15 GLU A OE2 
125 N N   . GLN A 16 ? 0.61699 0.61259 0.61394 0.00992  0.16333  -0.01769 16 GLN A N   
126 C CA  . GLN A 16 ? 0.62611 0.62541 0.63748 0.00759  0.16961  -0.02886 16 GLN A CA  
127 C C   . GLN A 16 ? 0.65535 0.65171 0.67216 0.00441  0.18440  -0.02414 16 GLN A C   
128 O O   . GLN A 16 ? 0.62299 0.61727 0.63266 0.00440  0.19316  -0.01318 16 GLN A O   
129 C CB  . GLN A 16 ? 0.62071 0.62795 0.63434 0.00886  0.17189  -0.03663 16 GLN A CB  
130 C CG  . GLN A 16 ? 0.96377 0.97313 0.96723 0.01020  0.17946  -0.02814 16 GLN A CG  
131 C CD  . GLN A 16 ? 1.19442 1.21168 1.20046 0.01129  0.18133  -0.03664 16 GLN A CD  
132 O OE1 . GLN A 16 ? 1.02822 1.04903 1.03888 0.01246  0.17211  -0.04718 16 GLN A OE1 
133 N NE2 . GLN A 16 ? 0.96362 0.98370 0.96693 0.01083  0.19342  -0.03212 16 GLN A NE2 
134 N N   . GLU A 17 ? 0.52347 0.57098 0.55518 -0.06436 -0.01258 -0.04749 17 GLU A N   
135 C CA  . GLU A 17 ? 0.40088 0.45073 0.43774 -0.06143 -0.01135 -0.03787 17 GLU A CA  
136 C C   . GLU A 17 ? 0.41233 0.46616 0.44642 -0.06055 -0.00693 -0.03851 17 GLU A C   
137 O O   . GLU A 17 ? 0.63935 0.68740 0.67332 -0.05966 -0.00396 -0.04583 17 GLU A O   
138 C CB  . GLU A 17 ? 0.42632 0.46467 0.47340 -0.05764 -0.01129 -0.03545 17 GLU A CB  
139 C CG  . GLU A 17 ? 0.48726 0.52331 0.53836 -0.05781 -0.01549 -0.03091 17 GLU A CG  
140 C CD  . GLU A 17 ? 0.71391 0.74191 0.77468 -0.05403 -0.01488 -0.02490 17 GLU A CD  
141 O OE1 . GLU A 17 ? 0.86255 0.89153 0.92576 -0.05182 -0.01174 -0.02029 17 GLU A OE1 
142 O OE2 . GLU A 17 ? 0.94669 0.96726 1.01248 -0.05340 -0.01745 -0.02490 17 GLU A OE2 
143 N N   . LEU A 18 ? 0.47341 0.53713 0.50542 -0.06073 -0.00642 -0.03072 18 LEU A N   
144 C CA  . LEU A 18 ? 0.41679 0.48508 0.44602 -0.05996 -0.00232 -0.03060 18 LEU A CA  
145 C C   . LEU A 18 ? 0.44454 0.50315 0.48120 -0.05593 0.00108  -0.03118 18 LEU A C   
146 O O   . LEU A 18 ? 0.52966 0.58227 0.57409 -0.05335 0.00044  -0.02585 18 LEU A O   
147 C CB  . LEU A 18 ? 0.43027 0.50989 0.45757 -0.06026 -0.00243 -0.02079 18 LEU A CB  
148 C CG  . LEU A 18 ? 0.52174 0.61410 0.53971 -0.06445 -0.00420 -0.02057 18 LEU A CG  
149 C CD1 . LEU A 18 ? 0.47008 0.57268 0.48723 -0.06387 -0.00327 -0.01076 18 LEU A CD1 
150 C CD2 . LEU A 18 ? 0.52388 0.61742 0.53440 -0.06680 -0.00201 -0.03041 18 LEU A CD2 
151 N N   . PRO A 19 ? 0.46774 0.52472 0.50234 -0.05539 0.00477  -0.03730 19 PRO A N   
152 C CA  . PRO A 19 ? 0.48121 0.53257 0.52201 -0.05175 0.00841  -0.03566 19 PRO A CA  
153 C C   . PRO A 19 ? 0.48323 0.54311 0.52304 -0.05105 0.01026  -0.02739 19 PRO A C   
154 O O   . PRO A 19 ? 0.53066 0.60112 0.56335 -0.05341 0.01010  -0.02584 19 PRO A O   
155 C CB  . PRO A 19 ? 0.48640 0.53443 0.52426 -0.05182 0.01161  -0.04538 19 PRO A CB  
156 C CG  . PRO A 19 ? 0.48946 0.54610 0.51742 -0.05572 0.01081  -0.04936 19 PRO A CG  
157 C CD  . PRO A 19 ? 0.51267 0.57285 0.53905 -0.05816 0.00600  -0.04602 19 PRO A CD  
158 N N   . PHE A 20 ? 0.41365 0.46890 0.46063 -0.04789 0.01206  -0.02190 20 PHE A N   
159 C CA  . PHE A 20 ? 0.42279 0.48528 0.46909 -0.04702 0.01434  -0.01428 20 PHE A CA  
160 C C   . PHE A 20 ? 0.39184 0.44715 0.44533 -0.04366 0.01766  -0.01209 20 PHE A C   
161 O O   . PHE A 20 ? 0.44494 0.48999 0.50470 -0.04200 0.01753  -0.01476 20 PHE A O   
162 C CB  . PHE A 20 ? 0.39692 0.46601 0.44308 -0.04776 0.01162  -0.00488 20 PHE A CB  
163 C CG  . PHE A 20 ? 0.41011 0.47160 0.46330 -0.04652 0.00890  -0.00117 20 PHE A CG  
164 C CD1 . PHE A 20 ? 0.47090 0.52574 0.53175 -0.04358 0.01054  0.00439  20 PHE A CD1 
165 C CD2 . PHE A 20 ? 0.44246 0.50373 0.49433 -0.04849 0.00474  -0.00299 20 PHE A CD2 
166 C CE1 . PHE A 20 ? 0.40309 0.45089 0.47019 -0.04257 0.00818  0.00786  20 PHE A CE1 
167 C CE2 . PHE A 20 ? 0.41694 0.47138 0.47521 -0.04735 0.00227  0.00057  20 PHE A CE2 
168 C CZ  . PHE A 20 ? 0.42271 0.47030 0.48859 -0.04435 0.00402  0.00598  20 PHE A CZ  
169 N N   . LYS A 21 ? 0.44928 0.51041 0.50158 -0.04284 0.02065  -0.00720 21 LYS A N   
170 C CA  . LYS A 21 ? 0.44960 0.50568 0.50761 -0.04005 0.02421  -0.00469 21 LYS A CA  
171 C C   . LYS A 21 ? 0.47111 0.52809 0.53325 -0.03878 0.02421  0.00588  21 LYS A C   
172 O O   . LYS A 21 ? 0.51562 0.58033 0.57461 -0.03997 0.02253  0.01182  21 LYS A O   
173 C CB  . LYS A 21 ? 0.40637 0.46792 0.46003 -0.03999 0.02812  -0.00718 21 LYS A CB  
174 C CG  . LYS A 21 ? 0.48235 0.54125 0.53310 -0.04061 0.02921  -0.01765 21 LYS A CG  
175 C CD  . LYS A 21 ? 0.69794 0.74504 0.75612 -0.03843 0.02995  -0.02172 21 LYS A CD  
176 C CE  . LYS A 21 ? 1.01185 1.05607 1.06769 -0.03859 0.03175  -0.03173 21 LYS A CE  
177 N NZ  . LYS A 21 ? 0.88961 0.92313 0.95318 -0.03616 0.03296  -0.03482 21 LYS A NZ  
178 N N   . LYS A 22 ? 0.46158 0.51064 0.53079 -0.03644 0.02627  0.00829  22 LYS A N   
179 C CA  . LYS A 22 ? 0.44985 0.49867 0.52311 -0.03517 0.02702  0.01812  22 LYS A CA  
180 C C   . LYS A 22 ? 0.43622 0.49592 0.50445 -0.03562 0.02897  0.02388  22 LYS A C   
181 O O   . LYS A 22 ? 0.44076 0.50466 0.50544 -0.03569 0.03177  0.02100  22 LYS A O   
182 C CB  . LYS A 22 ? 0.39269 0.43215 0.47319 -0.03295 0.02980  0.01895  22 LYS A CB  
183 C CG  . LYS A 22 ? 0.54631 0.58327 0.63160 -0.03181 0.03042  0.02856  22 LYS A CG  
184 C CD  . LYS A 22 ? 0.78765 0.82221 0.87611 -0.03030 0.03482  0.03174  22 LYS A CD  
185 C CE  . LYS A 22 ? 0.65120 0.68574 0.74239 -0.02956 0.03587  0.04209  22 LYS A CE  
186 N NZ  . LYS A 22 ? 0.87540 0.91047 0.96761 -0.02856 0.04044  0.04584  22 LYS A NZ  
187 N N   . GLY A 23 ? 0.45454 0.51892 0.52249 -0.03589 0.02753  0.03214  23 GLY A N   
188 C CA  . GLY A 23 ? 0.43286 0.50768 0.49649 -0.03622 0.02920  0.03864  23 GLY A CA  
189 C C   . GLY A 23 ? 0.41416 0.50016 0.46967 -0.03875 0.02714  0.03677  23 GLY A C   
190 O O   . GLY A 23 ? 0.45758 0.55316 0.50932 -0.03920 0.02808  0.04273  23 GLY A O   
191 N N   . GLU A 24 ? 0.40555 0.49068 0.45815 -0.04053 0.02446  0.02878  24 GLU A N   
192 C CA  . GLU A 24 ? 0.43727 0.53274 0.48165 -0.04342 0.02256  0.02617  24 GLU A CA  
193 C C   . GLU A 24 ? 0.45795 0.56029 0.50115 -0.04457 0.01933  0.03372  24 GLU A C   
194 O O   . GLU A 24 ? 0.39311 0.49006 0.44166 -0.04360 0.01734  0.03773  24 GLU A O   
195 C CB  . GLU A 24 ? 0.45876 0.55012 0.50073 -0.04507 0.02075  0.01549  24 GLU A CB  
196 C CG  . GLU A 24 ? 0.49529 0.59629 0.52825 -0.04848 0.01911  0.01125  24 GLU A CG  
197 C CD  . GLU A 24 ? 0.73477 0.83035 0.76547 -0.04988 0.01831  0.00013  24 GLU A CD  
198 O OE1 . GLU A 24 ? 0.56957 0.65523 0.60508 -0.04789 0.02010  -0.00464 24 GLU A OE1 
199 O OE2 . GLU A 24 ? 0.69749 0.79875 0.72159 -0.05306 0.01601  -0.00378 24 GLU A OE2 
200 N N   . ILE A 25 ? 0.43017 0.54479 0.46631 -0.04669 0.01888  0.03580  25 ILE A N   
201 C CA  . ILE A 25 ? 0.36477 0.48798 0.39908 -0.04798 0.01595  0.04331  25 ILE A CA  
202 C C   . ILE A 25 ? 0.36938 0.49623 0.39846 -0.05135 0.01191  0.03742  25 ILE A C   
203 O O   . ILE A 25 ? 0.49928 0.62794 0.52264 -0.05345 0.01218  0.02898  25 ILE A O   
204 C CB  . ILE A 25 ? 0.39893 0.53417 0.42889 -0.04829 0.01794  0.05021  25 ILE A CB  
205 C CG1 . ILE A 25 ? 0.48795 0.61935 0.52341 -0.04499 0.02185  0.05709  25 ILE A CG1 
206 C CG2 . ILE A 25 ? 0.37278 0.51834 0.39996 -0.05006 0.01467  0.05714  25 ILE A CG2 
207 C CD1 . ILE A 25 ? 0.80167 0.94402 0.83286 -0.04509 0.02441  0.06289  25 ILE A CD1 
208 N N   . LEU A 26 ? 0.36719 0.49512 0.39808 -0.05196 0.00830  0.04192  26 LEU A N   
209 C CA  . LEU A 26 ? 0.41969 0.55079 0.44608 -0.05528 0.00418  0.03698  26 LEU A CA  
210 C C   . LEU A 26 ? 0.41399 0.55552 0.43878 -0.05664 0.00124  0.04575  26 LEU A C   
211 O O   . LEU A 26 ? 0.41862 0.55960 0.44884 -0.05426 0.00156  0.05505  26 LEU A O   
212 C CB  . LEU A 26 ? 0.44352 0.56224 0.47497 -0.05464 0.00216  0.03140  26 LEU A CB  
213 C CG  . LEU A 26 ? 0.41368 0.52106 0.44812 -0.05293 0.00489  0.02328  26 LEU A CG  
214 C CD1 . LEU A 26 ? 0.44855 0.54384 0.48947 -0.05173 0.00289  0.02042  26 LEU A CD1 
215 C CD2 . LEU A 26 ? 0.42213 0.53260 0.44909 -0.05553 0.00560  0.01360  26 LEU A CD2 
216 N N   . ARG A 27 ? 0.39251 0.54349 0.40982 -0.06053 -0.00148 0.04282  27 ARG A N   
217 C CA  . ARG A 27 ? 0.38271 0.54444 0.39796 -0.06237 -0.00477 0.05037  27 ARG A CA  
218 C C   . ARG A 27 ? 0.41620 0.57313 0.43343 -0.06364 -0.00901 0.04775  27 ARG A C   
219 O O   . ARG A 27 ? 0.39487 0.54635 0.40968 -0.06550 -0.01014 0.03786  27 ARG A O   
220 C CB  . ARG A 27 ? 0.39108 0.56710 0.39667 -0.06631 -0.00539 0.04924  27 ARG A CB  
221 C CG  . ARG A 27 ? 0.43173 0.62010 0.43533 -0.06818 -0.00867 0.05792  27 ARG A CG  
222 C CD  . ARG A 27 ? 0.49685 0.70007 0.49079 -0.07229 -0.00925 0.05729  27 ARG A CD  
223 N NE  . ARG A 27 ? 0.61061 0.81405 0.59777 -0.07659 -0.01138 0.04668  27 ARG A NE  
224 C CZ  . ARG A 27 ? 0.49866 0.70414 0.48408 -0.07953 -0.01565 0.04516  27 ARG A CZ  
225 N NH1 . ARG A 27 ? 0.54765 0.75573 0.53759 -0.07864 -0.01844 0.05367  27 ARG A NH1 
226 N NH2 . ARG A 27 ? 0.63251 0.83719 0.61150 -0.08346 -0.01697 0.03484  27 ARG A NH2 
227 N N   . ILE A 28 ? 0.40679 0.56561 0.42842 -0.06257 -0.01117 0.05665  28 ILE A N   
228 C CA  . ILE A 28 ? 0.40082 0.55575 0.42467 -0.06367 -0.01532 0.05533  28 ILE A CA  
229 C C   . ILE A 28 ? 0.41408 0.58169 0.43013 -0.06836 -0.01902 0.05453  28 ILE A C   
230 O O   . ILE A 28 ? 0.53644 0.71703 0.54898 -0.06953 -0.01929 0.06170  28 ILE A O   
231 C CB  . ILE A 28 ? 0.36987 0.52095 0.40208 -0.06038 -0.01578 0.06537  28 ILE A CB  
232 C CG1 . ILE A 28 ? 0.35782 0.49646 0.39724 -0.05617 -0.01191 0.06595  28 ILE A CG1 
233 C CG2 . ILE A 28 ? 0.36504 0.51196 0.39970 -0.06144 -0.02005 0.06402  28 ILE A CG2 
234 C CD1 . ILE A 28 ? 0.44901 0.57458 0.49041 -0.05585 -0.01160 0.05524  28 ILE A CD1 
235 N N   . ARG A 29 ? 0.41408 0.57813 0.42722 -0.07121 -0.02178 0.04573  29 ARG A N   
236 C CA  . ARG A 29 ? 0.38840 0.56337 0.39430 -0.07605 -0.02561 0.04441  29 ARG A CA  
237 C C   . ARG A 29 ? 0.55242 0.72839 0.56292 -0.07575 -0.02943 0.05141  29 ARG A C   
238 O O   . ARG A 29 ? 0.57302 0.73769 0.58906 -0.07426 -0.03072 0.04875  29 ARG A O   
239 C CB  . ARG A 29 ? 0.47922 0.64959 0.47946 -0.07944 -0.02647 0.03145  29 ARG A CB  
240 C CG  . ARG A 29 ? 0.43542 0.60625 0.42986 -0.08040 -0.02282 0.02407  29 ARG A CG  
241 C CD  . ARG A 29 ? 0.69894 0.87470 0.68372 -0.08591 -0.02454 0.01483  29 ARG A CD  
242 N NE  . ARG A 29 ? 0.98647 1.17665 0.96580 -0.08990 -0.02807 0.02009  29 ARG A NE  
243 C CZ  . ARG A 29 ? 0.77298 0.97649 0.74449 -0.09310 -0.02762 0.02163  29 ARG A CZ  
244 N NH1 . ARG A 29 ? 0.84624 1.05054 0.81378 -0.09306 -0.02382 0.01763  29 ARG A NH1 
245 N NH2 . ARG A 29 ? 0.59274 0.80937 0.56038 -0.09648 -0.03109 0.02747  29 ARG A NH2 
246 N N   . ASP A 30 ? 0.58319 0.77278 0.59153 -0.07712 -0.03118 0.06049  30 ASP A N   
247 C CA  . ASP A 30 ? 0.71581 0.90729 0.72943 -0.07605 -0.03414 0.06932  30 ASP A CA  
248 C C   . ASP A 30 ? 0.60357 0.80550 0.61165 -0.08086 -0.03896 0.06901  30 ASP A C   
249 O O   . ASP A 30 ? 0.71562 0.92164 0.72732 -0.08037 -0.04159 0.07714  30 ASP A O   
250 C CB  . ASP A 30 ? 0.56044 0.75841 0.57804 -0.07283 -0.03200 0.08215  30 ASP A CB  
251 C CG  . ASP A 30 ? 0.90402 1.11724 0.91439 -0.07514 -0.03101 0.08541  30 ASP A CG  
252 O OD1 . ASP A 30 ? 1.23344 1.45215 1.23551 -0.07938 -0.03190 0.07758  30 ASP A OD1 
253 O OD2 . ASP A 30 ? 1.25988 1.47950 1.27282 -0.07275 -0.02918 0.09587  30 ASP A OD2 
254 N N   . LYS A 31 ? 0.52908 0.73532 0.52849 -0.08557 -0.04007 0.05994  31 LYS A N   
255 C CA  . LYS A 31 ? 0.45173 0.66700 0.44580 -0.09049 -0.04469 0.05896  31 LYS A CA  
256 C C   . LYS A 31 ? 0.52406 0.72893 0.52341 -0.08986 -0.04765 0.05643  31 LYS A C   
257 O O   . LYS A 31 ? 0.52949 0.71958 0.53303 -0.08749 -0.04618 0.04975  31 LYS A O   
258 C CB  . LYS A 31 ? 0.49365 0.71380 0.47716 -0.09583 -0.04486 0.04865  31 LYS A CB  
259 C CG  . LYS A 31 ? 0.74943 0.98222 0.72667 -0.09735 -0.04265 0.05162  31 LYS A CG  
260 C CD  . LYS A 31 ? 0.65267 0.89030 0.61911 -0.10301 -0.04283 0.04139  31 LYS A CD  
261 C CE  . LYS A 31 ? 0.61625 0.86648 0.57654 -0.10449 -0.04057 0.04455  31 LYS A CE  
262 N NZ  . LYS A 31 ? 1.28013 1.53460 1.22963 -0.11010 -0.04036 0.03436  31 LYS A NZ  
263 N N   . PRO A 32 ? 0.57292 0.60178 0.54500 0.00622  -0.01526 0.08139  32 PRO A N   
264 C CA  . PRO A 32 ? 0.58507 0.61631 0.55489 0.00886  -0.01400 0.07563  32 PRO A CA  
265 C C   . PRO A 32 ? 0.51083 0.55307 0.48436 0.00725  -0.01039 0.07652  32 PRO A C   
266 O O   . PRO A 32 ? 0.59127 0.63365 0.56289 0.00595  -0.01100 0.07410  32 PRO A O   
267 C CB  . PRO A 32 ? 0.50545 0.53649 0.47369 0.01517  -0.01226 0.07140  32 PRO A CB  
268 C CG  . PRO A 32 ? 0.60817 0.63137 0.57522 0.01567  -0.01497 0.07377  32 PRO A CG  
269 C CD  . PRO A 32 ? 0.48311 0.50845 0.45386 0.01042  -0.01513 0.08077  32 PRO A CD  
270 N N   . GLU A 33 ? 0.54453 0.59567 0.52299 0.00733  -0.00678 0.07991  33 GLU A N   
271 C CA  . GLU A 33 ? 0.49881 0.56027 0.48073 0.00620  -0.00335 0.08060  33 GLU A CA  
272 C C   . GLU A 33 ? 0.45000 0.51240 0.43376 0.00057  -0.00520 0.08401  33 GLU A C   
273 O O   . GLU A 33 ? 0.50907 0.57926 0.49534 -0.00061 -0.00295 0.08455  33 GLU A O   
274 C CB  . GLU A 33 ? 0.50753 0.57785 0.49426 0.00770  0.00071  0.08347  33 GLU A CB  
275 C CG  . GLU A 33 ? 0.58168 0.65153 0.57151 0.00502  0.00002  0.08941  33 GLU A CG  
276 C CD  . GLU A 33 ? 0.74681 0.81000 0.73428 0.00794  -0.00119 0.08920  33 GLU A CD  
277 O OE1 . GLU A 33 ? 0.65851 0.71395 0.64137 0.01062  -0.00351 0.08493  33 GLU A OE1 
278 O OE2 . GLU A 33 ? 0.87670 0.94235 0.86676 0.00767  0.00015  0.09326  33 GLU A OE2 
279 N N   . GLU A 34 ? 0.54153 0.59623 0.52424 -0.00293 -0.00936 0.08630  34 GLU A N   
280 C CA  . GLU A 34 ? 0.50375 0.55909 0.48854 -0.00837 -0.01156 0.08937  34 GLU A CA  
281 C C   . GLU A 34 ? 0.48703 0.53484 0.46672 -0.00953 -0.01538 0.08573  34 GLU A C   
282 O O   . GLU A 34 ? 0.57261 0.61966 0.55347 -0.01407 -0.01798 0.08787  34 GLU A O   
283 C CB  . GLU A 34 ? 0.52921 0.58220 0.51730 -0.01237 -0.01346 0.09510  34 GLU A CB  
284 C CG  . GLU A 34 ? 0.56688 0.62950 0.56111 -0.01288 -0.00957 0.09976  34 GLU A CG  
285 C CD  . GLU A 34 ? 1.03128 1.09079 1.02771 -0.01571 -0.01077 0.10491  34 GLU A CD  
286 O OE1 . GLU A 34 ? 1.00682 1.05814 0.99955 -0.01395 -0.01247 0.10417  34 GLU A OE1 
287 O OE2 . GLU A 34 ? 1.00576 1.07103 1.00760 -0.01969 -0.00997 0.10969  34 GLU A OE2 
288 N N   . GLN A 35 ? 0.50923 0.55163 0.48337 -0.00550 -0.01581 0.08020  35 GLN A N   
289 C CA  . GLN A 35 ? 0.55177 0.58647 0.52032 -0.00614 -0.01935 0.07629  35 GLN A CA  
290 C C   . GLN A 35 ? 0.47349 0.51374 0.44050 -0.00539 -0.01717 0.07311  35 GLN A C   
291 O O   . GLN A 35 ? 0.48980 0.53677 0.45748 -0.00192 -0.01290 0.07106  35 GLN A O   
292 C CB  . GLN A 35 ? 0.49924 0.52471 0.46236 -0.00208 -0.02110 0.07176  35 GLN A CB  
293 C CG  . GLN A 35 ? 0.62931 0.64835 0.59319 -0.00271 -0.02348 0.07489  35 GLN A CG  
294 C CD  . GLN A 35 ? 0.92636 0.94387 0.89342 -0.00889 -0.02636 0.08058  35 GLN A CD  
295 O OE1 . GLN A 35 ? 0.91711 0.93271 0.88330 -0.01247 -0.02901 0.08058  35 GLN A OE1 
296 N NE2 . GLN A 35 ? 0.79248 0.81099 0.76328 -0.01023 -0.02581 0.08545  35 GLN A NE2 
297 N N   . LEU A 36 ? 0.45795 0.49512 0.42272 -0.00876 -0.02022 0.07275  36 LEU A N   
298 C CA  . LEU A 36 ? 0.47953 0.52099 0.44208 -0.00854 -0.01864 0.07006  36 LEU A CA  
299 C C   . LEU A 36 ? 0.45497 0.48738 0.41020 -0.00860 -0.02223 0.06552  36 LEU A C   
300 O O   . LEU A 36 ? 0.60467 0.62806 0.55771 -0.01037 -0.02676 0.06566  36 LEU A O   
301 C CB  . LEU A 36 ? 0.47826 0.52697 0.44574 -0.01281 -0.01841 0.07456  36 LEU A CB  
302 C CG  . LEU A 36 ? 0.60825 0.66706 0.58267 -0.01235 -0.01423 0.07853  36 LEU A CG  
303 C CD1 . LEU A 36 ? 0.60668 0.66503 0.58638 -0.01559 -0.01596 0.08402  36 LEU A CD1 
304 C CD2 . LEU A 36 ? 0.58248 0.65024 0.55928 -0.01346 -0.01179 0.07955  36 LEU A CD2 
305 N N   . TRP A 37 ? 0.48717 0.52195 0.43842 -0.00661 -0.02007 0.06142  37 TRP A N   
306 C CA  . TRP A 37 ? 0.42590 0.45356 0.36983 -0.00683 -0.02287 0.05708  37 TRP A CA  
307 C C   . TRP A 37 ? 0.46873 0.50146 0.41191 -0.00925 -0.02217 0.05762  37 TRP A C   
308 O O   . TRP A 37 ? 0.50222 0.54433 0.44948 -0.00921 -0.01840 0.05973  37 TRP A O   
309 C CB  . TRP A 37 ? 0.42966 0.45436 0.36800 -0.00163 -0.02079 0.05069  37 TRP A CB  
310 C CG  . TRP A 37 ? 0.55523 0.57209 0.49210 0.00089  -0.02287 0.04887  37 TRP A CG  
311 C CD1 . TRP A 37 ? 0.80509 0.81352 0.74178 -0.00147 -0.02779 0.05089  37 TRP A CD1 
312 C CD2 . TRP A 37 ? 0.49849 0.51499 0.43395 0.00631  -0.02025 0.04463  37 TRP A CD2 
313 N NE1 . TRP A 37 ? 0.72990 0.73225 0.66471 0.00226  -0.02851 0.04821  37 TRP A NE1 
314 C CE2 . TRP A 37 ? 0.55298 0.56031 0.48717 0.00719  -0.02398 0.04426  37 TRP A CE2 
315 C CE3 . TRP A 37 ? 0.52526 0.54836 0.46062 0.01047  -0.01519 0.04109  37 TRP A CE3 
316 C CZ2 . TRP A 37 ? 0.70399 0.70852 0.63679 0.01232  -0.02298 0.04040  37 TRP A CZ2 
317 C CZ3 . TRP A 37 ? 0.62604 0.64685 0.56047 0.01542  -0.01408 0.03720  37 TRP A CZ3 
318 C CH2 . TRP A 37 ? 0.63767 0.64927 0.57082 0.01645  -0.01803 0.03684  37 TRP A CH2 
319 N N   . ASN A 38 ? 0.58665 0.61266 0.52418 -0.01124 -0.02602 0.05555  38 ASN A N   
320 C CA  . ASN A 38 ? 0.48468 0.51364 0.41922 -0.01282 -0.02566 0.05479  38 ASN A CA  
321 C C   . ASN A 38 ? 0.43969 0.46815 0.36742 -0.00877 -0.02240 0.04884  38 ASN A C   
322 O O   . ASN A 38 ? 0.47275 0.49390 0.39522 -0.00618 -0.02347 0.04437  38 ASN A O   
323 C CB  . ASN A 38 ? 0.46708 0.48892 0.39855 -0.01696 -0.03156 0.05541  38 ASN A CB  
324 C CG  . ASN A 38 ? 0.53110 0.55870 0.46854 -0.02143 -0.03294 0.06081  38 ASN A CG  
325 O OD1 . ASN A 38 ? 0.71690 0.75263 0.65638 -0.02144 -0.02981 0.06210  38 ASN A OD1 
326 N ND2 . ASN A 38 ? 0.82107 0.84466 0.76168 -0.02525 -0.03763 0.06405  38 ASN A ND2 
327 N N   . ALA A 39 ? 0.42612 0.46234 0.35402 -0.00821 -0.01836 0.04876  39 ALA A N   
328 C CA  . ALA A 39 ? 0.42725 0.46431 0.34942 -0.00456 -0.01448 0.04344  39 ALA A CA  
329 C C   . ALA A 39 ? 0.46417 0.50417 0.38242 -0.00633 -0.01351 0.04316  39 ALA A C   
330 O O   . ALA A 39 ? 0.51942 0.56266 0.44073 -0.00985 -0.01510 0.04739  39 ALA A O   
331 C CB  . ALA A 39 ? 0.42126 0.46562 0.34799 -0.00079 -0.00905 0.04298  39 ALA A CB  
332 N N   . GLU A 40 ? 0.48693 0.52559 0.39817 -0.00377 -0.01089 0.03802  40 GLU A N   
333 C CA  . GLU A 40 ? 0.43158 0.47255 0.33767 -0.00482 -0.00920 0.03699  40 GLU A CA  
334 C C   . GLU A 40 ? 0.47431 0.52092 0.37927 -0.00113 -0.00286 0.03359  40 GLU A C   
335 O O   . GLU A 40 ? 0.51688 0.56151 0.42053 0.00246  -0.00108 0.02950  40 GLU A O   
336 C CB  . GLU A 40 ? 0.44464 0.47626 0.34125 -0.00607 -0.01318 0.03366  40 GLU A CB  
337 C CG  . GLU A 40 ? 0.53560 0.56826 0.42672 -0.00832 -0.01309 0.03387  40 GLU A CG  
338 C CD  . GLU A 40 ? 0.79297 0.81584 0.67492 -0.00990 -0.01785 0.03111  40 GLU A CD  
339 O OE1 . GLU A 40 ? 1.05088 1.06613 0.93046 -0.00896 -0.02089 0.02855  40 GLU A OE1 
340 O OE2 . GLU A 40 ? 0.84956 0.87202 0.72640 -0.01201 -0.01872 0.03146  40 GLU A OE2 
341 N N   . ASN A 41 ? 0.49018 0.54386 0.39595 -0.00197 0.00050  0.03524  41 ASN A N   
342 C CA  . ASN A 41 ? 0.48677 0.54634 0.39209 0.00111  0.00663  0.03236  41 ASN A CA  
343 C C   . ASN A 41 ? 0.51648 0.57328 0.41208 0.00124  0.00825  0.02815  41 ASN A C   
344 O O   . ASN A 41 ? 0.47798 0.52799 0.36684 -0.00083 0.00449  0.02735  41 ASN A O   
345 C CB  . ASN A 41 ? 0.46536 0.53471 0.37799 0.00049  0.00990  0.03661  41 ASN A CB  
346 C CG  . ASN A 41 ? 0.57385 0.64516 0.48495 -0.00305 0.00880  0.03990  41 ASN A CG  
347 O OD1 . ASN A 41 ? 0.57938 0.64521 0.48311 -0.00487 0.00627  0.03860  41 ASN A OD1 
348 N ND2 . ASN A 41 ? 0.51544 0.59448 0.43340 -0.00389 0.01060  0.04413  41 ASN A ND2 
349 N N   . VAL A 42 ? 0.64245 0.70463 0.53728 0.00367  0.01400  0.02541  42 VAL A N   
350 C CA  . VAL A 42 ? 0.50658 0.56670 0.39221 0.00420  0.01656  0.02098  42 VAL A CA  
351 C C   . VAL A 42 ? 0.57915 0.63744 0.45922 0.00044  0.01451  0.02331  42 VAL A C   
352 O O   . VAL A 42 ? 0.70795 0.76106 0.57854 0.00002  0.01426  0.02002  42 VAL A O   
353 C CB  . VAL A 42 ? 0.44590 0.51373 0.33341 0.00686  0.02340  0.01864  42 VAL A CB  
354 C CG1 . VAL A 42 ? 0.71655 0.79273 0.61057 0.00530  0.02559  0.02353  42 VAL A CG1 
355 C CG2 . VAL A 42 ? 0.87835 0.94413 0.75625 0.00726  0.02641  0.01403  42 VAL A CG2 
356 N N   . GLU A 43 ? 0.66330 0.72574 0.54890 -0.00221 0.01301  0.02884  43 GLU A N   
357 C CA  . GLU A 43 ? 0.51496 0.57641 0.39607 -0.00559 0.01104  0.03133  43 GLU A CA  
358 C C   . GLU A 43 ? 0.62193 0.67713 0.50237 -0.00856 0.00410  0.03383  43 GLU A C   
359 O O   . GLU A 43 ? 0.60970 0.66448 0.48810 -0.01151 0.00159  0.03665  43 GLU A O   
360 C CB  . GLU A 43 ? 0.56529 0.63545 0.45257 -0.00658 0.01380  0.03562  43 GLU A CB  
361 C CG  . GLU A 43 ? 0.87609 0.95222 0.76311 -0.00424 0.02056  0.03319  43 GLU A CG  
362 C CD  . GLU A 43 ? 1.19666 1.28100 1.08981 -0.00513 0.02308  0.03736  43 GLU A CD  
363 O OE1 . GLU A 43 ? 1.53166 1.61751 1.42996 -0.00725 0.01972  0.04211  43 GLU A OE1 
364 O OE2 . GLU A 43 ? 1.31372 1.40305 1.20668 -0.00373 0.02843  0.03581  43 GLU A OE2 
365 N N   . GLY A 44 ? 0.65887 0.70905 0.54099 -0.00787 0.00080  0.03284  44 GLY A N   
366 C CA  . GLY A 44 ? 0.48107 0.52500 0.36261 -0.01081 -0.00585 0.03494  44 GLY A CA  
367 C C   . GLY A 44 ? 0.53389 0.58211 0.42542 -0.01312 -0.00847 0.04083  44 GLY A C   
368 O O   . GLY A 44 ? 0.62805 0.67188 0.52003 -0.01598 -0.01405 0.04298  44 GLY A O   
369 N N   . LYS A 45 ? 0.50641 0.56313 0.40602 -0.01202 -0.00465 0.04344  45 LYS A N   
370 C CA  . LYS A 45 ? 0.52349 0.58469 0.43275 -0.01400 -0.00670 0.04893  45 LYS A CA  
371 C C   . LYS A 45 ? 0.56902 0.62673 0.48256 -0.01340 -0.00907 0.04911  45 LYS A C   
372 O O   . LYS A 45 ? 0.51318 0.56978 0.42622 -0.01018 -0.00660 0.04593  45 LYS A O   
373 C CB  . LYS A 45 ? 0.51960 0.59074 0.43547 -0.01285 -0.00175 0.05143  45 LYS A CB  
374 C CG  . LYS A 45 ? 0.73465 0.81123 0.66018 -0.01493 -0.00344 0.05719  45 LYS A CG  
375 C CD  . LYS A 45 ? 0.98369 1.06971 0.91454 -0.01373 0.00142  0.05929  45 LYS A CD  
376 C CE  . LYS A 45 ? 0.97958 1.07142 0.91986 -0.01566 -0.00001 0.06488  45 LYS A CE  
377 N NZ  . LYS A 45 ? 0.90133 1.00195 0.84617 -0.01442 0.00453  0.06673  45 LYS A NZ  
378 N N   . ARG A 46 ? 0.55541 0.61120 0.47308 -0.01653 -0.01398 0.05279  46 ARG A N   
379 C CA  . ARG A 46 ? 0.44270 0.49435 0.36413 -0.01673 -0.01689 0.05356  46 ARG A CA  
380 C C   . ARG A 46 ? 0.46824 0.52706 0.40026 -0.01762 -0.01600 0.05876  46 ARG A C   
381 O O   . ARG A 46 ? 0.61595 0.68124 0.55249 -0.01950 -0.01553 0.06249  46 ARG A O   
382 C CB  . ARG A 46 ? 0.43475 0.47802 0.35267 -0.01995 -0.02342 0.05366  46 ARG A CB  
383 C CG  . ARG A 46 ? 0.51909 0.55470 0.42594 -0.01915 -0.02465 0.04849  46 ARG A CG  
384 C CD  . ARG A 46 ? 0.64905 0.67642 0.55232 -0.02247 -0.03141 0.04867  46 ARG A CD  
385 N NE  . ARG A 46 ? 0.99825 1.01755 0.89040 -0.02126 -0.03249 0.04327  46 ARG A NE  
386 C CZ  . ARG A 46 ? 1.11209 1.12277 0.99880 -0.02343 -0.03818 0.04201  46 ARG A CZ  
387 N NH1 . ARG A 46 ? 1.07604 1.08500 0.96764 -0.02715 -0.04349 0.04574  46 ARG A NH1 
388 N NH2 . ARG A 46 ? 0.96803 0.97173 0.84418 -0.02187 -0.03851 0.03678  46 ARG A NH2 
389 N N   . GLY A 47 ? 0.50562 0.56306 0.44132 -0.01616 -0.01579 0.05894  47 GLY A N   
390 C CA  . GLY A 47 ? 0.46370 0.52748 0.40884 -0.01681 -0.01469 0.06369  47 GLY A CA  
391 C C   . GLY A 47 ? 0.45246 0.51313 0.39950 -0.01460 -0.01435 0.06293  47 GLY A C   
392 O O   . GLY A 47 ? 0.50529 0.55942 0.44671 -0.01219 -0.01470 0.05850  47 GLY A O   
393 N N   . LEU A 48 ? 0.52406 0.58945 0.47902 -0.01538 -0.01369 0.06732  48 LEU A N   
394 C CA  . LEU A 48 ? 0.44679 0.50943 0.40409 -0.01363 -0.01360 0.06751  48 LEU A CA  
395 C C   . LEU A 48 ? 0.38571 0.45335 0.34391 -0.00910 -0.00829 0.06546  48 LEU A C   
396 O O   . LEU A 48 ? 0.51666 0.59215 0.47682 -0.00817 -0.00445 0.06596  48 LEU A O   
397 C CB  . LEU A 48 ? 0.48202 0.54719 0.44703 -0.01675 -0.01528 0.07330  48 LEU A CB  
398 C CG  . LEU A 48 ? 0.50556 0.56609 0.47092 -0.02153 -0.02076 0.07563  48 LEU A CG  
399 C CD1 . LEU A 48 ? 0.55335 0.61773 0.52705 -0.02460 -0.02163 0.08143  48 LEU A CD1 
400 C CD2 . LEU A 48 ? 0.59059 0.63976 0.54962 -0.02143 -0.02480 0.07222  48 LEU A CD2 
401 N N   . ILE A 49 ? 0.41985 0.48262 0.37655 -0.00623 -0.00833 0.06303  49 ILE A N   
402 C CA  . ILE A 49 ? 0.41809 0.48505 0.37621 -0.00181 -0.00387 0.06107  49 ILE A CA  
403 C C   . ILE A 49 ? 0.46045 0.52420 0.42162 -0.00076 -0.00506 0.06272  49 ILE A C   
404 O O   . ILE A 49 ? 0.50747 0.56313 0.46692 -0.00236 -0.00932 0.06314  49 ILE A O   
405 C CB  . ILE A 49 ? 0.39331 0.45749 0.34486 0.00182  -0.00206 0.05467  49 ILE A CB  
406 C CG1 . ILE A 49 ? 0.40020 0.45363 0.34649 0.00257  -0.00599 0.05139  49 ILE A CG1 
407 C CG2 . ILE A 49 ? 0.41599 0.48255 0.36368 0.00048  -0.00098 0.05323  49 ILE A CG2 
408 C CD1 . ILE A 49 ? 0.41415 0.46510 0.35466 0.00671  -0.00395 0.04488  49 ILE A CD1 
409 N N   . HIS A 50 ? 0.44221 0.51207 0.40769 0.00189  -0.00138 0.06371  50 HIS A N   
410 C CA  . HIS A 50 ? 0.43079 0.49773 0.39858 0.00346  -0.00211 0.06502  50 HIS A CA  
411 C C   . HIS A 50 ? 0.42570 0.48700 0.38890 0.00796  -0.00202 0.05947  50 HIS A C   
412 O O   . HIS A 50 ? 0.42678 0.49194 0.38864 0.01137  0.00147  0.05554  50 HIS A O   
413 C CB  . HIS A 50 ? 0.50843 0.58411 0.48254 0.00448  0.00157  0.06845  50 HIS A CB  
414 C CG  . HIS A 50 ? 0.51894 0.59874 0.49834 0.00023  0.00081  0.07449  50 HIS A CG  
415 N ND1 . HIS A 50 ? 0.57378 0.65004 0.55573 -0.00205 -0.00179 0.07848  50 HIS A ND1 
416 C CD2 . HIS A 50 ? 0.58858 0.67575 0.57128 -0.00217 0.00228  0.07716  50 HIS A CD2 
417 C CE1 . HIS A 50 ? 0.60221 0.68398 0.58914 -0.00569 -0.00168 0.08327  50 HIS A CE1 
418 N NE2 . HIS A 50 ? 0.68719 0.77560 0.67474 -0.00569 0.00065  0.08251  50 HIS A NE2 
419 N N   . VAL A 51 ? 0.42372 0.47593 0.38476 0.00794  -0.00590 0.05917  51 VAL A N   
420 C CA  . VAL A 51 ? 0.44012 0.48603 0.39676 0.01230  -0.00648 0.05380  51 VAL A CA  
421 C C   . VAL A 51 ? 0.46821 0.51993 0.42762 0.01699  -0.00238 0.05218  51 VAL A C   
422 O O   . VAL A 51 ? 0.53838 0.59031 0.49512 0.02097  -0.00045 0.04679  51 VAL A O   
423 C CB  . VAL A 51 ? 0.49544 0.53069 0.45010 0.01136  -0.01149 0.05471  51 VAL A CB  
424 C CG1 . VAL A 51 ? 0.54885 0.57763 0.49922 0.01627  -0.01219 0.04905  51 VAL A CG1 
425 C CG2 . VAL A 51 ? 0.46585 0.49524 0.41772 0.00671  -0.01573 0.05586  51 VAL A CG2 
426 N N   . VAL A 52 ? 0.41610 0.47272 0.38092 0.01662  -0.00098 0.05667  52 VAL A N   
427 C CA  . VAL A 52 ? 0.38122 0.44255 0.34862 0.02111  0.00232  0.05527  52 VAL A CA  
428 C C   . VAL A 52 ? 0.42470 0.49507 0.39325 0.02313  0.00712  0.05251  52 VAL A C   
429 O O   . VAL A 52 ? 0.50567 0.57965 0.47576 0.02729  0.00983  0.04998  52 VAL A O   
430 C CB  . VAL A 52 ? 0.37577 0.44013 0.34825 0.02009  0.00269  0.06092  52 VAL A CB  
431 C CG1 . VAL A 52 ? 0.43723 0.49205 0.40819 0.01868  -0.00179 0.06321  52 VAL A CG1 
432 C CG2 . VAL A 52 ? 0.39673 0.46851 0.37331 0.01595  0.00424  0.06578  52 VAL A CG2 
433 N N   . LEU A 53 ? 0.44718 0.52108 0.41490 0.02031  0.00812  0.05284  53 LEU A N   
434 C CA  . LEU A 53 ? 0.40785 0.48992 0.37630 0.02182  0.01266  0.05049  53 LEU A CA  
435 C C   . LEU A 53 ? 0.38782 0.46719 0.35079 0.02395  0.01339  0.04423  53 LEU A C   
436 O O   . LEU A 53 ? 0.45577 0.54138 0.41868 0.02497  0.01722  0.04198  53 LEU A O   
437 C CB  . LEU A 53 ? 0.35715 0.44519 0.32782 0.01777  0.01371  0.05450  53 LEU A CB  
438 C CG  . LEU A 53 ? 0.40104 0.49434 0.37787 0.01598  0.01428  0.06043  53 LEU A CG  
439 C CD1 . LEU A 53 ? 0.38281 0.48234 0.36171 0.01253  0.01547  0.06356  53 LEU A CD1 
440 C CD2 . LEU A 53 ? 0.41065 0.50924 0.39116 0.01982  0.01755  0.06000  53 LEU A CD2 
441 N N   . VAL A 54 ? 0.45191 0.52210 0.41015 0.02460  0.00992  0.04134  54 VAL A N   
442 C CA  . VAL A 54 ? 0.48601 0.55309 0.43857 0.02658  0.01047  0.03525  54 VAL A CA  
443 C C   . VAL A 54 ? 0.40571 0.46543 0.35602 0.03047  0.00830  0.03125  54 VAL A C   
444 O O   . VAL A 54 ? 0.52370 0.57985 0.47624 0.03115  0.00592  0.03351  54 VAL A O   
445 C CB  . VAL A 54 ? 0.44993 0.51242 0.39731 0.02273  0.00792  0.03533  54 VAL A CB  
446 C CG1 . VAL A 54 ? 0.38459 0.45394 0.33433 0.01894  0.00953  0.03951  54 VAL A CG1 
447 C CG2 . VAL A 54 ? 0.40047 0.45337 0.34599 0.02052  0.00230  0.03726  54 VAL A CG2 
448 N N   . GLU A 55 ? 0.51625 0.57360 0.46188 0.03307  0.00917  0.02520  55 GLU A N   
449 C CA  . GLU A 55 ? 0.49846 0.54871 0.44145 0.03712  0.00714  0.02053  55 GLU A CA  
450 C C   . GLU A 55 ? 0.48880 0.53214 0.42451 0.03675  0.00527  0.01617  55 GLU A C   
451 O O   . GLU A 55 ? 0.49110 0.53718 0.42391 0.03462  0.00710  0.01540  55 GLU A O   
452 C CB  . GLU A 55 ? 0.49998 0.55607 0.44586 0.04237  0.01109  0.01631  55 GLU A CB  
453 C CG  . GLU A 55 ? 0.57517 0.63822 0.51978 0.04321  0.01596  0.01236  55 GLU A CG  
454 C CD  . GLU A 55 ? 0.88009 0.94973 0.82852 0.04810  0.01994  0.00840  55 GLU A CD  
455 O OE1 . GLU A 55 ? 0.85145 0.91994 0.80327 0.05116  0.01865  0.00850  55 GLU A OE1 
456 O OE2 . GLU A 55 ? 0.78927 0.86520 0.73727 0.04881  0.02431  0.00521  55 GLU A OE2 
457 N N   . LYS A 56 ? 0.62208 0.65602 0.55448 0.03888  0.00148  0.01333  56 LYS A N   
458 C CA  . LYS A 56 ? 0.62554 0.65229 0.55068 0.03914  -0.00043 0.00859  56 LYS A CA  
459 C C   . LYS A 56 ? 0.71928 0.75154 0.64246 0.04235  0.00443  0.00263  56 LYS A C   
460 O O   . LYS A 56 ? 0.65826 0.69496 0.58461 0.04675  0.00736  -0.00051 56 LYS A O   
461 C CB  . LYS A 56 ? 0.62070 0.63649 0.54303 0.04156  -0.00523 0.00619  56 LYS A CB  
462 C CG  . LYS A 56 ? 0.89997 0.90732 0.82126 0.03737  -0.01091 0.01103  56 LYS A CG  
463 C CD  . LYS A 56 ? 1.26933 1.26479 1.18644 0.03983  -0.01572 0.00774  56 LYS A CD  
464 C CE  . LYS A 56 ? 1.08683 1.07348 1.00287 0.03538  -0.02147 0.01250  56 LYS A CE  
465 N NZ  . LYS A 56 ? 0.83095 0.82041 0.75323 0.03345  -0.02181 0.01900  56 LYS A NZ  
466 N N   . TYR A 57 ? 0.74267 0.77480 0.66066 0.03998  0.00531  0.00120  57 TYR A N   
467 C CA  . TYR A 57 ? 0.68716 0.72339 0.60186 0.04233  0.00978  -0.00449 57 TYR A CA  
468 C C   . TYR A 57 ? 0.66125 0.68851 0.56810 0.04389  0.00741  -0.01010 57 TYR A C   
469 O O   . TYR A 57 ? 0.78006 0.80732 0.68566 0.04849  0.00938  -0.01612 57 TYR A O   
470 C CB  . TYR A 57 ? 0.48230 0.52534 0.39628 0.03851  0.01302  -0.00197 57 TYR A CB  
471 C CG  . TYR A 57 ? 0.49407 0.54473 0.40739 0.04071  0.01906  -0.00629 57 TYR A CG  
472 C CD1 . TYR A 57 ? 0.65564 0.71330 0.57467 0.04462  0.02287  -0.00836 57 TYR A CD1 
473 C CD2 . TYR A 57 ? 0.71646 0.76740 0.62346 0.03870  0.02096  -0.00815 57 TYR A CD2 
474 C CE1 . TYR A 57 ? 0.60514 0.67012 0.52406 0.04634  0.02851  -0.01226 57 TYR A CE1 
475 C CE2 . TYR A 57 ? 0.75056 0.80849 0.65684 0.04038  0.02674  -0.01193 57 TYR A CE2 
476 C CZ  . TYR A 57 ? 0.75498 0.82009 0.66751 0.04412  0.03056  -0.01396 57 TYR A CZ  
477 O OH  . TYR A 57 ? 0.95390 1.02626 0.86620 0.04558  0.03640  -0.01770 57 TYR A OH  
478 N N   . GLY A 58 ? 1.06306 1.08273 0.96475 0.04016  0.00311  -0.00829 58 GLY A N   
479 C CA  . GLY A 58 ? 1.31032 1.31983 1.20432 0.04120  -0.00033 -0.01292 58 GLY A CA  
480 C C   . GLY A 58 ? 1.07715 1.07767 0.96886 0.03700  -0.00670 -0.00885 58 GLY A C   
481 O O   . GLY A 58 ? 1.14464 1.13516 1.03049 0.03745  -0.01085 -0.01178 58 GLY A O   
# 
