data_9EEC
# 
_entry.id   9EEC 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_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   9EEC         pdb_00009eec 10.2210/pdb9eec/pdb 
WWPDB D_1000290275 ?            ?                   
# 
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 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-04-09 ? 
2 'Structure model' 1 1 2025-04-30 ? 
# 
_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.journal_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
4 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9EEC 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-18 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 4 
_pdbx_contact_author.email              jsnowick@uci.edu 
_pdbx_contact_author.name_first         James 
_pdbx_contact_author.name_last          Nowick 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-2273-1029 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Kreutzer, A.G.' 1 0000-0002-9724-6298 
'Zhu, J.'        2 ?                   
'Nowick, J.S.'   3 0000-0002-2273-1029 
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Org.Biomol.Chem. 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1477-0539 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            23 
_citation.language                  ? 
_citation.page_first                3881 
_citation.page_last                 3893 
_citation.title                     
'A beta-hairpin peptide derived from A beta forms different oligomers in the crystal state and in aqueous solution.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1039/d5ob00296f 
_citation.pdbx_database_id_PubMed   40130612 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Zhu, J.'        1 ? 
primary 'Kreutzer, A.G.' 2 ? 
primary 'Liu, Z.'        3 ? 
primary 'Li, X.'         4 ? 
primary 'Richter, S.M.'  5 ? 
primary 'Pophristic, V.' 6 ? 
primary 'Nowick, J.S.'   7 ? 
# 
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 ORN-LYS-LEU-VAL-H7V-PHE-ALA-GLU-ORN-ALA-ILE-ILE-GLY-LEU-MET-VAL 1800.318 3  ? ? ? ? 
2 water   nat water                                                           18.015   15 ? ? ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   yes 
_entity_poly.pdbx_seq_one_letter_code       '(ORN)KLV(H7V)FAE(ORN)AIIGLMV' 
_entity_poly.pdbx_seq_one_letter_code_can   AKLVAFAEAAIIGLMV 
_entity_poly.pdbx_strand_id                 A,B,C 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  ORN n 
1 2  LYS n 
1 3  LEU n 
1 4  VAL n 
1 5  H7V n 
1 6  PHE n 
1 7  ALA n 
1 8  GLU n 
1 9  ORN n 
1 10 ALA n 
1 11 ILE n 
1 12 ILE n 
1 13 GLY n 
1 14 LEU n 
1 15 MET n 
1 16 VAL 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       16 
_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  
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                 ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                         ? 'C2 H5 N O2'     75.067  
H7V 'L-peptide linking' n 3-cyclohexyl-N-methyl-L-alanine ? 'C10 H19 N O2'   185.263 
HOH non-polymer         . WATER                           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                      ? 'C5 H11 N O2 S'  149.211 
ORN 'L-peptide linking' n L-ornithine                     ? 'C5 H12 N2 O2'   132.161 
PHE 'L-peptide linking' y PHENYLALANINE                   ? 'C9 H11 N O2'    165.189 
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  ORN 1  1  1  ORN ORN A . n 
A 1 2  LYS 2  2  2  LYS LYS A . n 
A 1 3  LEU 3  3  3  LEU LEU A . n 
A 1 4  VAL 4  4  4  VAL VAL A . n 
A 1 5  H7V 5  5  5  H7V XXX A . n 
A 1 6  PHE 6  6  6  PHE PHE A . n 
A 1 7  ALA 7  7  7  ALA ALA A . n 
A 1 8  GLU 8  8  8  GLU GLU A . n 
A 1 9  ORN 9  9  9  ORN ORN A . n 
A 1 10 ALA 10 10 10 ALA ALA A . n 
A 1 11 ILE 11 11 11 ILE ILE A . n 
A 1 12 ILE 12 12 12 ILE ILE A . n 
A 1 13 GLY 13 13 13 GLY GLY A . n 
A 1 14 LEU 14 14 14 LEU LEU A . n 
A 1 15 MET 15 15 15 MET MET A . n 
A 1 16 VAL 16 16 16 VAL VAL A . n 
B 1 1  ORN 1  1  1  ORN ORN B . n 
B 1 2  LYS 2  2  2  LYS LYS B . n 
B 1 3  LEU 3  3  3  LEU LEU B . n 
B 1 4  VAL 4  4  4  VAL VAL B . n 
B 1 5  H7V 5  5  5  H7V XXX B . n 
B 1 6  PHE 6  6  6  PHE PHE B . n 
B 1 7  ALA 7  7  7  ALA ALA B . n 
B 1 8  GLU 8  8  8  GLU GLU B . n 
B 1 9  ORN 9  9  9  ORN ORN B . n 
B 1 10 ALA 10 10 10 ALA ALA B . n 
B 1 11 ILE 11 11 11 ILE ILE B . n 
B 1 12 ILE 12 12 12 ILE ILE B . n 
B 1 13 GLY 13 13 13 GLY GLY B . n 
B 1 14 LEU 14 14 14 LEU LEU B . n 
B 1 15 MET 15 15 15 MET MET B . n 
B 1 16 VAL 16 16 16 VAL VAL B . n 
C 1 1  ORN 1  1  1  ORN ORN C . n 
C 1 2  LYS 2  2  2  LYS LYS C . n 
C 1 3  LEU 3  3  3  LEU LEU C . n 
C 1 4  VAL 4  4  4  VAL VAL C . n 
C 1 5  H7V 5  5  5  H7V XXX C . n 
C 1 6  PHE 6  6  6  PHE PHE C . n 
C 1 7  ALA 7  7  7  ALA ALA C . n 
C 1 8  GLU 8  8  8  GLU GLU C . n 
C 1 9  ORN 9  9  9  ORN ORN C . n 
C 1 10 ALA 10 10 10 ALA ALA C . n 
C 1 11 ILE 11 11 11 ILE ILE C . n 
C 1 12 ILE 12 12 12 ILE ILE C . n 
C 1 13 GLY 13 13 13 GLY GLY C . n 
C 1 14 LEU 14 14 14 LEU LEU C . n 
C 1 15 MET 15 15 15 MET MET C . n 
C 1 16 VAL 16 16 16 VAL VAL C . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
D 2 HOH 1 101 10 HOH HOH A . 
D 2 HOH 2 102 1  HOH HOH A . 
D 2 HOH 3 103 14 HOH HOH A . 
D 2 HOH 4 104 11 HOH HOH A . 
D 2 HOH 5 105 13 HOH HOH A . 
E 2 HOH 1 101 5  HOH HOH B . 
E 2 HOH 2 102 3  HOH HOH B . 
E 2 HOH 3 103 12 HOH HOH B . 
E 2 HOH 4 104 7  HOH HOH B . 
E 2 HOH 5 105 4  HOH HOH B . 
F 2 HOH 1 101 9  HOH HOH C . 
F 2 HOH 2 102 6  HOH HOH C . 
F 2 HOH 3 103 2  HOH HOH C . 
F 2 HOH 4 104 8  HOH HOH C . 
F 2 HOH 5 105 15 HOH HOH C . 
# 
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  ? ? ? '(1.20.1_4487: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .                    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9EEC 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     67.511 
_cell.length_a_esd                 ? 
_cell.length_b                     67.511 
_cell.length_b_esd                 ? 
_cell.length_c                     67.511 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        72 
_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                         9EEC 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                207 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 4 3 2' 
_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                   9EEC 
_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             2.37 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          48.18 
_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, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_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    '0.1 M HEPES buffer, 0.25 M magnesium chloride, isopropanol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            296 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     115 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-03-11 
_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                    ? 
_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   1.0 
_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                        'ALS BEAMLINE 5.0.2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   5.0.2 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9EEC 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.58 
_reflns.d_resolution_low                               38.98 
_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                                     13661 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.95 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                62.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          33.09 
_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                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.05796 
_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                                    1.58 
_reflns_shell.d_res_low                                     1.64 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             287 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.0818 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_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                               ? 
_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                                 9EEC 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.58 
_refine.ls_d_res_low                             38.98 
_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                     13661 
_refine.ls_number_reflns_R_free                  1358 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.99 
_refine.ls_percent_reflns_R_free                 9.94 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2125 
_refine.ls_R_factor_R_free                       0.2250 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2110 
_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                          1.34 
_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       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_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                 32.46 
_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                            0.24 
_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.pdbx_number_atoms_protein        375 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             15 
_refine_hist.number_atoms_total               390 
_refine_hist.d_res_high                       1.58 
_refine_hist.d_res_low                        38.98 
# 
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' ? 0.018  ? ?   ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 2.302  ? ?   ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 39.009 ? 117 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.176  ? 66  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.011  ? 51  ? f_plane_restr      ? ? 
# 
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' 1.58 1.64  . . 135 1209 100.00 . . . . 0.3321 . . . . . . . . . . . 0.3454 
'X-RAY DIFFRACTION' 1.64 1.70  . . 136 1246 100.00 . . . . 0.3073 . . . . . . . . . . . 0.3500 
'X-RAY DIFFRACTION' 1.70 1.78  . . 138 1226 100.00 . . . . 0.3233 . . . . . . . . . . . 0.3079 
'X-RAY DIFFRACTION' 1.78 1.87  . . 138 1226 100.00 . . . . 0.2449 . . . . . . . . . . . 0.2730 
'X-RAY DIFFRACTION' 1.87 1.99  . . 135 1232 100.00 . . . . 0.2761 . . . . . . . . . . . 0.3365 
'X-RAY DIFFRACTION' 1.99 2.14  . . 127 1210 100.00 . . . . 0.2313 . . . . . . . . . . . 0.3085 
'X-RAY DIFFRACTION' 2.15 2.36  . . 138 1256 100.00 . . . . 0.2433 . . . . . . . . . . . 0.2660 
'X-RAY DIFFRACTION' 2.36 2.70  . . 132 1232 100.00 . . . . 0.2495 . . . . . . . . . . . 0.2947 
'X-RAY DIFFRACTION' 2.71 3.40  . . 138 1221 100.00 . . . . 0.2036 . . . . . . . . . . . 0.1985 
'X-RAY DIFFRACTION' 3.41 38.98 . . 141 1245 100.00 . . . . 0.1756 . . . . . . . . . . . 0.1825 
# 
_struct.entry_id                     9EEC 
_struct.title                        
;X-ray crystallographic structure of a beta-hairpin peptide mimic derived from Abeta 16-36 ORN-LYS-LEU-VAL-H7V-PHE-ALA-GLU-ORN-ALA-ILE-ILE-GLY-LEU-MET-VAL
;
_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        9EEC 
_struct_keywords.text            
;Alzheimer's disease, oligomer, hairpin, hexamer, trimer, DE NOVO PROTEIN
;
_struct_keywords.pdbx_keywords   'DE NOVO 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 1 ? 
C N N 1 ? 
D N N 2 ? 
E N N 2 ? 
F N N 2 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    9EEC 
_struct_ref.pdbx_db_accession          9EEC 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   ? 
_struct_ref.pdbx_align_begin           1 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9EEC A 1 ? 16 ? 9EEC 1 ? 16 ? 1 16 
2 1 9EEC B 1 ? 16 ? 9EEC 1 ? 16 ? 1 16 
3 1 9EEC C 1 ? 16 ? 9EEC 1 ? 16 ? 1 16 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   trimeric 
_pdbx_struct_assembly.oligomeric_count     3 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'assay for oligomerization' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
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 
covale1  covale both ? A ORN 1 C  ? ? ? 1_555 A LYS 2  N  ? ? A ORN 1 A LYS 2  1_555 ? ? ? ? ? ? ? 1.374 ? ? 
covale2  covale both ? A ORN 1 NE ? ? ? 1_555 A VAL 16 C  ? ? A ORN 1 A VAL 16 1_555 ? ? ? ? ? ? ? 1.381 ? ? 
covale3  covale both ? A VAL 4 C  ? ? ? 1_555 A H7V 5  N  ? ? A VAL 4 A H7V 5  1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale4  covale both ? A H7V 5 C  ? ? ? 1_555 A PHE 6  N  ? ? A H7V 5 A PHE 6  1_555 ? ? ? ? ? ? ? 1.326 ? ? 
covale5  covale both ? A GLU 8 C  ? ? ? 1_555 A ORN 9  NE ? ? A GLU 8 A ORN 9  1_555 ? ? ? ? ? ? ? 1.370 ? ? 
covale6  covale both ? A ORN 9 C  ? ? ? 1_555 A ALA 10 N  ? ? A ORN 9 A ALA 10 1_555 ? ? ? ? ? ? ? 1.364 ? ? 
covale7  covale both ? B ORN 1 C  ? ? ? 1_555 B LYS 2  N  ? ? B ORN 1 B LYS 2  1_555 ? ? ? ? ? ? ? 1.364 ? ? 
covale8  covale both ? B ORN 1 NE ? ? ? 1_555 B VAL 16 C  ? ? B ORN 1 B VAL 16 1_555 ? ? ? ? ? ? ? 1.385 ? ? 
covale9  covale both ? B VAL 4 C  ? ? ? 1_555 B H7V 5  N  ? ? B VAL 4 B H7V 5  1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale10 covale both ? B H7V 5 C  ? ? ? 1_555 B PHE 6  N  ? ? B H7V 5 B PHE 6  1_555 ? ? ? ? ? ? ? 1.345 ? ? 
covale11 covale both ? B GLU 8 C  ? ? ? 1_555 B ORN 9  NE ? ? B GLU 8 B ORN 9  1_555 ? ? ? ? ? ? ? 1.371 ? ? 
covale12 covale both ? B ORN 9 C  ? ? ? 1_555 B ALA 10 N  ? ? B ORN 9 B ALA 10 1_555 ? ? ? ? ? ? ? 1.364 ? ? 
covale13 covale both ? C ORN 1 C  ? ? ? 1_555 C LYS 2  N  ? ? C ORN 1 C LYS 2  1_555 ? ? ? ? ? ? ? 1.361 ? ? 
covale14 covale both ? C ORN 1 NE ? ? ? 1_555 C VAL 16 C  ? ? C ORN 1 C VAL 16 1_555 ? ? ? ? ? ? ? 1.372 ? ? 
covale15 covale both ? C VAL 4 C  ? ? ? 1_555 C H7V 5  N  ? ? C VAL 4 C H7V 5  1_555 ? ? ? ? ? ? ? 1.333 ? ? 
covale16 covale both ? C H7V 5 C  ? ? ? 1_555 C PHE 6  N  ? ? C H7V 5 C PHE 6  1_555 ? ? ? ? ? ? ? 1.341 ? ? 
covale17 covale both ? C GLU 8 C  ? ? ? 1_555 C ORN 9  NE ? ? C GLU 8 C ORN 9  1_555 ? ? ? ? ? ? ? 1.369 ? ? 
covale18 covale both ? C ORN 9 C  ? ? ? 1_555 C ALA 10 N  ? ? C ORN 9 C ALA 10 1_555 ? ? ? ? ? ? ? 1.368 ? ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1  ORN A 1 ? .   . .  . ORN A 1 ? 1_555 .   . .  . .     .  .  ? 1 ORN Ornithine 'Named protein modification' 
2  ORN A 9 ? .   . .  . ORN A 9 ? 1_555 .   . .  . .     .  .  ? 1 ORN Ornithine 'Named protein modification' 
3  ORN B 1 ? .   . .  . ORN B 1 ? 1_555 .   . .  . .     .  .  ? 1 ORN Ornithine 'Named protein modification' 
4  ORN B 9 ? .   . .  . ORN B 9 ? 1_555 .   . .  . .     .  .  ? 1 ORN Ornithine 'Named protein modification' 
5  ORN C 1 ? .   . .  . ORN C 1 ? 1_555 .   . .  . .     .  .  ? 1 ORN Ornithine 'Named protein modification' 
6  ORN C 9 ? .   . .  . ORN C 9 ? 1_555 .   . .  . .     .  .  ? 1 ORN Ornithine 'Named protein modification' 
7  H7V A 5 ? .   . .  . H7V A 5 ? 1_555 .   . .  . .     .  .  ? 1 H7V None      'Non-standard residue'       
8  H7V B 5 ? .   . .  . H7V B 5 ? 1_555 .   . .  . .     .  .  ? 1 H7V None      'Non-standard residue'       
9  H7V C 5 ? .   . .  . H7V C 5 ? 1_555 .   . .  . .     .  .  ? 1 H7V None      'Non-standard residue'       
10 ORN A 1 ? VAL A 16 ? ORN A 1 ? 1_555 VAL A 16 ? 1_555 NE C  . . .   None      'Non-standard linkage'       
11 GLU A 8 ? ORN A 9  ? GLU A 8 ? 1_555 ORN A 9  ? 1_555 C  NE . . .   None      'Non-standard linkage'       
12 ORN B 1 ? VAL B 16 ? ORN B 1 ? 1_555 VAL B 16 ? 1_555 NE C  . . .   None      'Non-standard linkage'       
13 GLU B 8 ? ORN B 9  ? GLU B 8 ? 1_555 ORN B 9  ? 1_555 C  NE . . .   None      'Non-standard linkage'       
14 ORN C 1 ? VAL C 16 ? ORN C 1 ? 1_555 VAL C 16 ? 1_555 NE C  . . .   None      'Non-standard linkage'       
15 GLU C 8 ? ORN C 9  ? GLU C 8 ? 1_555 ORN C 9  ? 1_555 C  NE . . .   None      'Non-standard linkage'       
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   6 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 1 3 ? anti-parallel 
AA1 1 5 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 3 5 ? anti-parallel 
AA1 5 6 ? 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 LYS A 2  ? ALA A 7  ? LYS A 2  ALA A 7  
AA1 2 ILE A 11 ? VAL A 16 ? ILE A 11 VAL A 16 
AA1 3 LYS B 2  ? ALA B 7  ? LYS B 2  ALA B 7  
AA1 4 ILE B 11 ? VAL B 16 ? ILE B 11 VAL B 16 
AA1 5 LYS C 2  ? ALA C 7  ? LYS C 2  ALA C 7  
AA1 6 ILE C 11 ? VAL C 16 ? ILE C 11 VAL C 16 
# 
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 LYS A 2 ? N LYS A 2 O VAL A 16 ? O VAL A 16 
AA1 1 3 N LEU A 3 ? N LEU A 3 O H7V B 5  ? O H7V B 5  
AA1 1 5 N H7V A 5 ? N H7V A 5 O LEU C 3  ? O LEU C 3  
AA1 3 4 N LYS B 2 ? N LYS B 2 O VAL B 16 ? O VAL B 16 
AA1 3 5 N LEU B 3 ? N LEU B 3 O H7V C 5  ? O H7V C 5  
AA1 5 6 N PHE C 6 ? N PHE C 6 O ILE C 12 ? O ILE C 12 
# 
_pdbx_entry_details.entry_id                   9EEC 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OE2 
_pdbx_validate_close_contact.auth_asym_id_1   B 
_pdbx_validate_close_contact.auth_comp_id_1   GLU 
_pdbx_validate_close_contact.auth_seq_id_1    8 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   B 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    101 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.14 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     105 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   D 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
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 21.4909 -6.6599 13.7726 0.2285 ? -0.0204 ? 0.0175  ? 0.2298 ? 0.0453 ? 0.2838 ? 6.1861 ? -1.8058 ? 
0.5755  ? 4.2893 ? 1.2702 ? 5.9665 ? 0.0723  ? 0.3383  ? -0.2532 ? 0.1863  ? -0.0142 ? -0.1006 ? 0.0420  ? 0.2459 ? 0.0022 ? 
2 'X-RAY DIFFRACTION' ? refined 28.8722 0.5600  21.1903 0.2168 ? -0.0410 ? -0.0256 ? 0.3483 ? 0.0307 ? 0.3403 ? 7.8820 ? -1.1631 ? 
-1.9169 ? 6.2317 ? 0.1545 ? 6.0289 ? -0.0259 ? -0.0609 ? 0.4278  ? 0.2260  ? -0.1535 ? -0.4633 ? -0.1017 ? 0.8606 ? 0.1573 ? 
3 'X-RAY DIFFRACTION' ? refined 20.5718 5.9829  12.9643 0.2546 ? 0.0217  ? 0.0553  ? 0.3112 ? 0.0358 ? 0.3224 ? 4.4916 ? -0.5301 ? 
2.1992  ? 6.7398 ? 0.5361 ? 7.9859 ? 0.1589  ? 0.3815  ? 0.3128  ? -0.8371 ? -0.1501 ? -0.6663 ? -0.5170 ? 0.3439 ? 0.0314 ? 
# 
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 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 1 through 16 )
;
2 'X-RAY DIFFRACTION' 2 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 1 through 16 )
;
3 'X-RAY DIFFRACTION' 3 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 1 through 16 )
;
# 
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  
GLU N    N N N 14  
GLU CA   C N S 15  
GLU C    C N N 16  
GLU O    O N N 17  
GLU CB   C N N 18  
GLU CG   C N N 19  
GLU CD   C N N 20  
GLU OE1  O N N 21  
GLU OE2  O N N 22  
GLU OXT  O N N 23  
GLU H    H N N 24  
GLU H2   H N N 25  
GLU HA   H N N 26  
GLU HB2  H N N 27  
GLU HB3  H N N 28  
GLU HG2  H N N 29  
GLU HG3  H N N 30  
GLU HE2  H N N 31  
GLU HXT  H N N 32  
GLY N    N N N 33  
GLY CA   C N N 34  
GLY C    C N N 35  
GLY O    O N N 36  
GLY OXT  O N N 37  
GLY H    H N N 38  
GLY H2   H N N 39  
GLY HA2  H N N 40  
GLY HA3  H N N 41  
GLY HXT  H N N 42  
H7V N    N N N 43  
H7V CA   C N S 44  
H7V C    C N N 45  
H7V O    O N N 46  
H7V CB   C N N 47  
H7V C01  C N N 48  
H7V C02  C N N 49  
H7V C03  C N N 50  
H7V C04  C N N 51  
H7V C05  C N N 52  
H7V C06  C N N 53  
H7V C07  C N N 54  
H7V OXT  O N N 55  
H7V H    H N N 56  
H7V HA   H N N 57  
H7V HB2  H N N 58  
H7V HB1  H N N 59  
H7V H07  H N N 60  
H7V H09  H N N 61  
H7V H10  H N N 62  
H7V H11  H N N 63  
H7V H12  H N N 64  
H7V H14  H N N 65  
H7V H13  H N N 66  
H7V H16  H N N 67  
H7V H15  H N N 68  
H7V H17  H N N 69  
H7V H18  H N N 70  
H7V H04  H N N 71  
H7V H03  H N N 72  
H7V H02  H N N 73  
H7V HXT  H N N 74  
HOH O    O N N 75  
HOH H1   H N N 76  
HOH H2   H N N 77  
ILE N    N N N 78  
ILE CA   C N S 79  
ILE C    C N N 80  
ILE O    O N N 81  
ILE CB   C N S 82  
ILE CG1  C N N 83  
ILE CG2  C N N 84  
ILE CD1  C N N 85  
ILE OXT  O N N 86  
ILE H    H N N 87  
ILE H2   H N N 88  
ILE HA   H N N 89  
ILE HB   H N N 90  
ILE HG12 H N N 91  
ILE HG13 H N N 92  
ILE HG21 H N N 93  
ILE HG22 H N N 94  
ILE HG23 H N N 95  
ILE HD11 H N N 96  
ILE HD12 H N N 97  
ILE HD13 H N N 98  
ILE HXT  H N N 99  
LEU N    N N N 100 
LEU CA   C N S 101 
LEU C    C N N 102 
LEU O    O N N 103 
LEU CB   C N N 104 
LEU CG   C N N 105 
LEU CD1  C N N 106 
LEU CD2  C N N 107 
LEU OXT  O N N 108 
LEU H    H N N 109 
LEU H2   H N N 110 
LEU HA   H N N 111 
LEU HB2  H N N 112 
LEU HB3  H N N 113 
LEU HG   H N N 114 
LEU HD11 H N N 115 
LEU HD12 H N N 116 
LEU HD13 H N N 117 
LEU HD21 H N N 118 
LEU HD22 H N N 119 
LEU HD23 H N N 120 
LEU HXT  H N N 121 
LYS N    N N N 122 
LYS CA   C N S 123 
LYS C    C N N 124 
LYS O    O N N 125 
LYS CB   C N N 126 
LYS CG   C N N 127 
LYS CD   C N N 128 
LYS CE   C N N 129 
LYS NZ   N N N 130 
LYS OXT  O N N 131 
LYS H    H N N 132 
LYS H2   H N N 133 
LYS HA   H N N 134 
LYS HB2  H N N 135 
LYS HB3  H N N 136 
LYS HG2  H N N 137 
LYS HG3  H N N 138 
LYS HD2  H N N 139 
LYS HD3  H N N 140 
LYS HE2  H N N 141 
LYS HE3  H N N 142 
LYS HZ1  H N N 143 
LYS HZ2  H N N 144 
LYS HZ3  H N N 145 
LYS HXT  H N N 146 
MET N    N N N 147 
MET CA   C N S 148 
MET C    C N N 149 
MET O    O N N 150 
MET CB   C N N 151 
MET CG   C N N 152 
MET SD   S N N 153 
MET CE   C N N 154 
MET OXT  O N N 155 
MET H    H N N 156 
MET H2   H N N 157 
MET HA   H N N 158 
MET HB2  H N N 159 
MET HB3  H N N 160 
MET HG2  H N N 161 
MET HG3  H N N 162 
MET HE1  H N N 163 
MET HE2  H N N 164 
MET HE3  H N N 165 
MET HXT  H N N 166 
ORN N    N N N 167 
ORN CA   C N S 168 
ORN CB   C N N 169 
ORN CG   C N N 170 
ORN CD   C N N 171 
ORN NE   N N N 172 
ORN C    C N N 173 
ORN O    O N N 174 
ORN OXT  O N N 175 
ORN H    H N N 176 
ORN H2   H N N 177 
ORN HA   H N N 178 
ORN HB2  H N N 179 
ORN HB3  H N N 180 
ORN HG2  H N N 181 
ORN HG3  H N N 182 
ORN HD2  H N N 183 
ORN HD3  H N N 184 
ORN HE1  H N N 185 
ORN HE2  H N N 186 
ORN HXT  H N N 187 
PHE N    N N N 188 
PHE CA   C N S 189 
PHE C    C N N 190 
PHE O    O N N 191 
PHE CB   C N N 192 
PHE CG   C Y N 193 
PHE CD1  C Y N 194 
PHE CD2  C Y N 195 
PHE CE1  C Y N 196 
PHE CE2  C Y N 197 
PHE CZ   C Y N 198 
PHE OXT  O N N 199 
PHE H    H N N 200 
PHE H2   H N N 201 
PHE HA   H N N 202 
PHE HB2  H N N 203 
PHE HB3  H N N 204 
PHE HD1  H N N 205 
PHE HD2  H N N 206 
PHE HE1  H N N 207 
PHE HE2  H N N 208 
PHE HZ   H N N 209 
PHE HXT  H N N 210 
VAL N    N N N 211 
VAL CA   C N S 212 
VAL C    C N N 213 
VAL O    O N N 214 
VAL CB   C N N 215 
VAL CG1  C N N 216 
VAL CG2  C N N 217 
VAL OXT  O N N 218 
VAL H    H N N 219 
VAL H2   H N N 220 
VAL HA   H N N 221 
VAL HB   H N N 222 
VAL HG11 H N N 223 
VAL HG12 H N N 224 
VAL HG13 H N N 225 
VAL HG21 H N N 226 
VAL HG22 H N N 227 
VAL HG23 H N N 228 
VAL HXT  H N N 229 
# 
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  
GLU N   CA   sing N N 13  
GLU N   H    sing N N 14  
GLU N   H2   sing N N 15  
GLU CA  C    sing N N 16  
GLU CA  CB   sing N N 17  
GLU CA  HA   sing N N 18  
GLU C   O    doub N N 19  
GLU C   OXT  sing N N 20  
GLU CB  CG   sing N N 21  
GLU CB  HB2  sing N N 22  
GLU CB  HB3  sing N N 23  
GLU CG  CD   sing N N 24  
GLU CG  HG2  sing N N 25  
GLU CG  HG3  sing N N 26  
GLU CD  OE1  doub N N 27  
GLU CD  OE2  sing N N 28  
GLU OE2 HE2  sing N N 29  
GLU OXT HXT  sing N N 30  
GLY N   CA   sing N N 31  
GLY N   H    sing N N 32  
GLY N   H2   sing N N 33  
GLY CA  C    sing N N 34  
GLY CA  HA2  sing N N 35  
GLY CA  HA3  sing N N 36  
GLY C   O    doub N N 37  
GLY C   OXT  sing N N 38  
GLY OXT HXT  sing N N 39  
H7V O   C    doub N N 40  
H7V C   CA   sing N N 41  
H7V CB  CA   sing N N 42  
H7V CB  C01  sing N N 43  
H7V C06 C01  sing N N 44  
H7V C06 C05  sing N N 45  
H7V CA  N    sing N N 46  
H7V C01 C02  sing N N 47  
H7V C05 C04  sing N N 48  
H7V C02 C03  sing N N 49  
H7V C07 N    sing N N 50  
H7V C04 C03  sing N N 51  
H7V C   OXT  sing N N 52  
H7V N   H    sing N N 53  
H7V CA  HA   sing N N 54  
H7V CB  HB2  sing N N 55  
H7V CB  HB1  sing N N 56  
H7V C01 H07  sing N N 57  
H7V C02 H09  sing N N 58  
H7V C02 H10  sing N N 59  
H7V C03 H11  sing N N 60  
H7V C03 H12  sing N N 61  
H7V C04 H14  sing N N 62  
H7V C04 H13  sing N N 63  
H7V C05 H16  sing N N 64  
H7V C05 H15  sing N N 65  
H7V C06 H17  sing N N 66  
H7V C06 H18  sing N N 67  
H7V C07 H04  sing N N 68  
H7V C07 H03  sing N N 69  
H7V C07 H02  sing N N 70  
H7V OXT HXT  sing N N 71  
HOH O   H1   sing N N 72  
HOH O   H2   sing N N 73  
ILE N   CA   sing N N 74  
ILE N   H    sing N N 75  
ILE N   H2   sing N N 76  
ILE CA  C    sing N N 77  
ILE CA  CB   sing N N 78  
ILE CA  HA   sing N N 79  
ILE C   O    doub N N 80  
ILE C   OXT  sing N N 81  
ILE CB  CG1  sing N N 82  
ILE CB  CG2  sing N N 83  
ILE CB  HB   sing N N 84  
ILE CG1 CD1  sing N N 85  
ILE CG1 HG12 sing N N 86  
ILE CG1 HG13 sing N N 87  
ILE CG2 HG21 sing N N 88  
ILE CG2 HG22 sing N N 89  
ILE CG2 HG23 sing N N 90  
ILE CD1 HD11 sing N N 91  
ILE CD1 HD12 sing N N 92  
ILE CD1 HD13 sing N N 93  
ILE OXT HXT  sing N N 94  
LEU N   CA   sing N N 95  
LEU N   H    sing N N 96  
LEU N   H2   sing N N 97  
LEU CA  C    sing N N 98  
LEU CA  CB   sing N N 99  
LEU CA  HA   sing N N 100 
LEU C   O    doub N N 101 
LEU C   OXT  sing N N 102 
LEU CB  CG   sing N N 103 
LEU CB  HB2  sing N N 104 
LEU CB  HB3  sing N N 105 
LEU CG  CD1  sing N N 106 
LEU CG  CD2  sing N N 107 
LEU CG  HG   sing N N 108 
LEU CD1 HD11 sing N N 109 
LEU CD1 HD12 sing N N 110 
LEU CD1 HD13 sing N N 111 
LEU CD2 HD21 sing N N 112 
LEU CD2 HD22 sing N N 113 
LEU CD2 HD23 sing N N 114 
LEU OXT HXT  sing N N 115 
LYS N   CA   sing N N 116 
LYS N   H    sing N N 117 
LYS N   H2   sing N N 118 
LYS CA  C    sing N N 119 
LYS CA  CB   sing N N 120 
LYS CA  HA   sing N N 121 
LYS C   O    doub N N 122 
LYS C   OXT  sing N N 123 
LYS CB  CG   sing N N 124 
LYS CB  HB2  sing N N 125 
LYS CB  HB3  sing N N 126 
LYS CG  CD   sing N N 127 
LYS CG  HG2  sing N N 128 
LYS CG  HG3  sing N N 129 
LYS CD  CE   sing N N 130 
LYS CD  HD2  sing N N 131 
LYS CD  HD3  sing N N 132 
LYS CE  NZ   sing N N 133 
LYS CE  HE2  sing N N 134 
LYS CE  HE3  sing N N 135 
LYS NZ  HZ1  sing N N 136 
LYS NZ  HZ2  sing N N 137 
LYS NZ  HZ3  sing N N 138 
LYS OXT HXT  sing N N 139 
MET N   CA   sing N N 140 
MET N   H    sing N N 141 
MET N   H2   sing N N 142 
MET CA  C    sing N N 143 
MET CA  CB   sing N N 144 
MET CA  HA   sing N N 145 
MET C   O    doub N N 146 
MET C   OXT  sing N N 147 
MET CB  CG   sing N N 148 
MET CB  HB2  sing N N 149 
MET CB  HB3  sing N N 150 
MET CG  SD   sing N N 151 
MET CG  HG2  sing N N 152 
MET CG  HG3  sing N N 153 
MET SD  CE   sing N N 154 
MET CE  HE1  sing N N 155 
MET CE  HE2  sing N N 156 
MET CE  HE3  sing N N 157 
MET OXT HXT  sing N N 158 
ORN N   CA   sing N N 159 
ORN N   H    sing N N 160 
ORN N   H2   sing N N 161 
ORN CA  CB   sing N N 162 
ORN CA  C    sing N N 163 
ORN CA  HA   sing N N 164 
ORN CB  CG   sing N N 165 
ORN CB  HB2  sing N N 166 
ORN CB  HB3  sing N N 167 
ORN CG  CD   sing N N 168 
ORN CG  HG2  sing N N 169 
ORN CG  HG3  sing N N 170 
ORN CD  NE   sing N N 171 
ORN CD  HD2  sing N N 172 
ORN CD  HD3  sing N N 173 
ORN NE  HE1  sing N N 174 
ORN NE  HE2  sing N N 175 
ORN C   O    doub N N 176 
ORN C   OXT  sing N N 177 
ORN OXT HXT  sing N N 178 
PHE N   CA   sing N N 179 
PHE N   H    sing N N 180 
PHE N   H2   sing N N 181 
PHE CA  C    sing N N 182 
PHE CA  CB   sing N N 183 
PHE CA  HA   sing N N 184 
PHE C   O    doub N N 185 
PHE C   OXT  sing N N 186 
PHE CB  CG   sing N N 187 
PHE CB  HB2  sing N N 188 
PHE CB  HB3  sing N N 189 
PHE CG  CD1  doub Y N 190 
PHE CG  CD2  sing Y N 191 
PHE CD1 CE1  sing Y N 192 
PHE CD1 HD1  sing N N 193 
PHE CD2 CE2  doub Y N 194 
PHE CD2 HD2  sing N N 195 
PHE CE1 CZ   doub Y N 196 
PHE CE1 HE1  sing N N 197 
PHE CE2 CZ   sing Y N 198 
PHE CE2 HE2  sing N N 199 
PHE CZ  HZ   sing N N 200 
PHE OXT HXT  sing N N 201 
VAL N   CA   sing N N 202 
VAL N   H    sing N N 203 
VAL N   H2   sing N N 204 
VAL CA  C    sing N N 205 
VAL CA  CB   sing N N 206 
VAL CA  HA   sing N N 207 
VAL C   O    doub N N 208 
VAL C   OXT  sing N N 209 
VAL CB  CG1  sing N N 210 
VAL CB  CG2  sing N N 211 
VAL CB  HB   sing N N 212 
VAL CG1 HG11 sing N N 213 
VAL CG1 HG12 sing N N 214 
VAL CG1 HG13 sing N N 215 
VAL CG2 HG21 sing N N 216 
VAL CG2 HG22 sing N N 217 
VAL CG2 HG23 sing N N 218 
VAL OXT HXT  sing N N 219 
# 
_pdbx_audit_support.funding_organization   'National Institutes of Health/National Institute on Aging (NIH/NIA)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           AG072587 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   5W4H 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9EEC 
_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]   0.014812 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.014812 
_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]   0.014812 
_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 
C 
H 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
HETATM 1   N N    . ORN A 1 1  ? 31.632 -8.907  21.016 1.00 37.46  ? 1   ORN A N    1 
HETATM 2   C CA   . ORN A 1 1  ? 31.453 -8.822  19.603 1.00 35.80  ? 1   ORN A CA   1 
HETATM 3   C CB   . ORN A 1 1  ? 30.601 -10.053 19.126 1.00 35.03  ? 1   ORN A CB   1 
HETATM 4   C CG   . ORN A 1 1  ? 31.438 -11.392 19.045 1.00 36.28  ? 1   ORN A CG   1 
HETATM 5   C CD   . ORN A 1 1  ? 32.299 -11.499 17.726 1.00 40.96  ? 1   ORN A CD   1 
HETATM 6   N NE   . ORN A 1 1  ? 31.450 -11.430 16.597 1.00 33.99  ? 1   ORN A NE   1 
HETATM 7   C C    . ORN A 1 1  ? 30.710 -7.571  19.221 1.00 31.45  ? 1   ORN A C    1 
HETATM 8   O O    . ORN A 1 1  ? 29.960 -6.964  19.992 1.00 33.38  ? 1   ORN A O    1 
HETATM 9   H H1   . ORN A 1 1  ? 31.944 -8.035  21.450 1.00 45.00  ? 1   ORN A H1   1 
HETATM 10  H H2   . ORN A 1 1  ? 30.784 -9.161  21.529 1.00 45.00  ? 1   ORN A H2   1 
HETATM 11  H H3   . ORN A 1 1  ? 32.325 -9.602  21.307 1.00 45.00  ? 1   ORN A H3   1 
HETATM 12  H HA   . ORN A 1 1  ? 32.457 -8.772  19.171 1.00 43.01  ? 1   ORN A HA   1 
HETATM 13  H HB2  . ORN A 1 1  ? 30.205 -9.842  18.123 1.00 42.08  ? 1   ORN A HB2  1 
HETATM 14  H HB3  . ORN A 1 1  ? 29.779 -10.212 19.838 1.00 42.08  ? 1   ORN A HB3  1 
HETATM 15  H HG2  . ORN A 1 1  ? 32.107 -11.447 19.912 1.00 43.58  ? 1   ORN A HG2  1 
HETATM 16  H HG3  . ORN A 1 1  ? 30.752 -12.245 19.093 1.00 43.58  ? 1   ORN A HG3  1 
HETATM 17  H HD2  . ORN A 1 1  ? 32.832 -12.454 17.719 1.00 49.20  ? 1   ORN A HD2  1 
HETATM 18  H HD3  . ORN A 1 1  ? 33.013 -10.671 17.692 1.00 49.20  ? 1   ORN A HD3  1 
HETATM 19  H HE1  . ORN A 1 1  ? 30.920 -12.298 16.391 1.00 40.83  ? 1   ORN A HE1  1 
ATOM   20  N N    . LYS A 1 2  ? 30.884 -7.172  17.918 1.00 30.71  ? 2   LYS A N    1 
ATOM   21  C CA   . LYS A 1 2  ? 30.178 -6.036  17.361 1.00 30.17  ? 2   LYS A CA   1 
ATOM   22  C C    . LYS A 1 2  ? 28.721 -6.476  17.100 1.00 30.45  ? 2   LYS A C    1 
ATOM   23  O O    . LYS A 1 2  ? 28.481 -7.642  16.746 1.00 31.46  ? 2   LYS A O    1 
ATOM   24  C CB   . LYS A 1 2  ? 30.808 -5.583  16.042 1.00 35.03  ? 2   LYS A CB   1 
ATOM   25  C CG   . LYS A 1 2  ? 30.377 -4.190  15.625 1.00 36.38  ? 2   LYS A CG   1 
ATOM   26  C CD   . LYS A 1 2  ? 30.765 -3.872  14.155 1.00 52.41  ? 2   LYS A CD   1 
ATOM   27  C CE   . LYS A 1 2  ? 30.743 -2.357  13.915 1.00 65.15  ? 2   LYS A CE   1 
ATOM   28  N NZ   . LYS A 1 2  ? 31.044 -1.912  12.518 1.00 78.17  ? 2   LYS A NZ   1 
ATOM   29  H H    . LYS A 1 2  ? 31.410 -7.561  17.360 1.00 36.90  ? 2   LYS A H    1 
ATOM   30  H HA   . LYS A 1 2  ? 30.215 -5.282  17.970 1.00 36.24  ? 2   LYS A HA   1 
ATOM   31  H HB2  . LYS A 1 2  ? 31.773 -5.581  16.139 1.00 42.08  ? 2   LYS A HB2  1 
ATOM   32  H HB3  . LYS A 1 2  ? 30.546 -6.200  15.341 1.00 42.08  ? 2   LYS A HB3  1 
ATOM   33  H HG2  . LYS A 1 2  ? 29.413 -4.117  15.706 1.00 43.70  ? 2   LYS A HG2  1 
ATOM   34  H HG3  . LYS A 1 2  ? 30.808 -3.538  16.199 1.00 43.70  ? 2   LYS A HG3  1 
ATOM   35  H HD2  . LYS A 1 2  ? 31.659 -4.202  13.975 1.00 62.94  ? 2   LYS A HD2  1 
ATOM   36  H HD3  . LYS A 1 2  ? 30.130 -4.290  13.552 1.00 62.94  ? 2   LYS A HD3  1 
ATOM   37  H HE2  . LYS A 1 2  ? 29.858 -2.026  14.136 1.00 78.22  ? 2   LYS A HE2  1 
ATOM   38  H HE3  . LYS A 1 2  ? 31.405 -1.948  14.494 1.00 78.22  ? 2   LYS A HE3  1 
ATOM   39  H HZ1  . LYS A 1 2  ? 31.001 -1.025  12.465 1.00 93.85  ? 2   LYS A HZ1  1 
ATOM   40  H HZ2  . LYS A 1 2  ? 31.861 -2.176  12.284 1.00 93.85  ? 2   LYS A HZ2  1 
ATOM   41  H HZ3  . LYS A 1 2  ? 30.454 -2.264  11.952 1.00 93.85  ? 2   LYS A HZ3  1 
ATOM   42  N N    . LEU A 1 3  ? 27.773 -5.567  17.301 1.00 27.70  ? 3   LEU A N    1 
ATOM   43  C CA   . LEU A 1 3  ? 26.377 -5.780  16.939 1.00 25.96  ? 3   LEU A CA   1 
ATOM   44  C C    . LEU A 1 3  ? 26.064 -5.056  15.644 1.00 27.46  ? 3   LEU A C    1 
ATOM   45  O O    . LEU A 1 3  ? 26.323 -3.852  15.532 1.00 29.33  ? 3   LEU A O    1 
ATOM   46  C CB   . LEU A 1 3  ? 25.463 -5.269  18.039 1.00 28.93  ? 3   LEU A CB   1 
ATOM   47  C CG   . LEU A 1 3  ? 25.636 -6.023  19.346 1.00 30.70  ? 3   LEU A CG   1 
ATOM   48  C CD1  . LEU A 1 3  ? 24.849 -5.265  20.397 1.00 41.22  ? 3   LEU A CD1  1 
ATOM   49  C CD2  . LEU A 1 3  ? 25.221 -7.420  19.184 1.00 32.40  ? 3   LEU A CD2  1 
ATOM   50  H H    . LEU A 1 3  ? 27.918 -4.797  17.655 1.00 33.28  ? 3   LEU A H    1 
ATOM   51  H HA   . LEU A 1 3  ? 26.219 -6.728  16.808 1.00 31.19  ? 3   LEU A HA   1 
ATOM   52  H HB2  . LEU A 1 3  ? 25.661 -4.334  18.203 1.00 34.75  ? 3   LEU A HB2  1 
ATOM   53  H HB3  . LEU A 1 3  ? 24.542 -5.368  17.754 1.00 34.75  ? 3   LEU A HB3  1 
ATOM   54  H HG   . LEU A 1 3  ? 26.561 -6.072  19.634 1.00 36.89  ? 3   LEU A HG   1 
ATOM   55  H HD11 . LEU A 1 3  ? 24.715 -5.840  21.167 1.00 49.51  ? 3   LEU A HD11 1 
ATOM   56  H HD12 . LEU A 1 3  ? 25.348 -4.475  20.658 1.00 49.51  ? 3   LEU A HD12 1 
ATOM   57  H HD13 . LEU A 1 3  ? 23.992 -5.006  20.024 1.00 49.51  ? 3   LEU A HD13 1 
ATOM   58  H HD21 . LEU A 1 3  ? 25.190 -7.843  20.056 1.00 38.92  ? 3   LEU A HD21 1 
ATOM   59  H HD22 . LEU A 1 3  ? 24.343 -7.443  18.773 1.00 38.92  ? 3   LEU A HD22 1 
ATOM   60  H HD23 . LEU A 1 3  ? 25.863 -7.877  18.618 1.00 38.92  ? 3   LEU A HD23 1 
ATOM   61  N N    . VAL A 1 4  ? 25.561 -5.805  14.667 1.00 29.10  ? 4   VAL A N    1 
ATOM   62  C CA   . VAL A 1 4  ? 25.264 -5.228  13.349 1.00 28.39  ? 4   VAL A CA   1 
ATOM   63  C C    . VAL A 1 4  ? 23.755 -5.222  13.212 1.00 30.60  ? 4   VAL A C    1 
ATOM   64  O O    . VAL A 1 4  ? 23.133 -6.254  13.502 1.00 27.41  ? 4   VAL A O    1 
ATOM   65  C CB   . VAL A 1 4  ? 25.937 -5.995  12.234 1.00 30.36  ? 4   VAL A CB   1 
ATOM   66  C CG1  . VAL A 1 4  ? 27.431 -6.008  12.458 1.00 40.66  ? 4   VAL A CG1  1 
ATOM   67  C CG2  . VAL A 1 4  ? 25.395 -7.402  12.127 1.00 46.16  ? 4   VAL A CG2  1 
ATOM   68  H H    . VAL A 1 4  ? 25.383 -6.644  14.737 1.00 34.97  ? 4   VAL A H    1 
ATOM   69  H HA   . VAL A 1 4  ? 25.607 -4.324  13.276 1.00 34.11  ? 4   VAL A HA   1 
ATOM   70  H HB   . VAL A 1 4  ? 25.749 -5.554  11.391 1.00 36.47  ? 4   VAL A HB   1 
ATOM   71  H HG11 . VAL A 1 4  ? 27.855 -6.493  11.733 1.00 48.83  ? 4   VAL A HG11 1 
ATOM   72  H HG12 . VAL A 1 4  ? 27.755 -5.094  12.478 1.00 48.83  ? 4   VAL A HG12 1 
ATOM   73  H HG13 . VAL A 1 4  ? 27.620 -6.444  13.304 1.00 48.83  ? 4   VAL A HG13 1 
ATOM   74  H HG21 . VAL A 1 4  ? 25.860 -7.865  11.412 1.00 55.44  ? 4   VAL A HG21 1 
ATOM   75  H HG22 . VAL A 1 4  ? 25.541 -7.861  12.969 1.00 55.44  ? 4   VAL A HG22 1 
ATOM   76  H HG23 . VAL A 1 4  ? 24.446 -7.361  11.933 1.00 55.44  ? 4   VAL A HG23 1 
HETATM 77  N N    . H7V A 1 5  ? 23.134 -4.115  12.817 1.00 34.68  ? 5   H7V A N    1 
HETATM 78  C CA   . H7V A 1 5  ? 21.698 -4.072  12.761 1.00 30.69  ? 5   H7V A CA   1 
HETATM 79  C C    . H7V A 1 5  ? 21.067 -3.950  11.574 1.00 31.45  ? 5   H7V A C    1 
HETATM 80  O O    . H7V A 1 5  ? 21.526 -3.357  10.690 1.00 30.65  ? 5   H7V A O    1 
HETATM 81  C CB   . H7V A 1 5  ? 21.088 -3.002  13.732 1.00 32.90  ? 5   H7V A CB   1 
HETATM 82  C C01  . H7V A 1 5  ? 21.736 -3.085  15.116 1.00 35.48  ? 5   H7V A C01  1 
HETATM 83  C C02  . H7V A 1 5  ? 22.050 -1.681  15.611 1.00 36.16  ? 5   H7V A C02  1 
HETATM 84  C C03  . H7V A 1 5  ? 22.314 -1.714  17.126 1.00 45.54  ? 5   H7V A C03  1 
HETATM 85  C C04  . H7V A 1 5  ? 21.264 -2.447  17.963 1.00 36.02  ? 5   H7V A C04  1 
HETATM 86  C C05  . H7V A 1 5  ? 21.177 -3.891  17.496 1.00 34.27  ? 5   H7V A C05  1 
HETATM 87  C C06  . H7V A 1 5  ? 20.706 -3.712  16.009 1.00 31.41  ? 5   H7V A C06  1 
HETATM 88  C C07  . H7V A 1 5  ? 23.700 -2.772  12.644 1.00 40.22  ? 5   H7V A C07  1 
HETATM 89  H HA   . H7V A 1 5  ? 21.512 -4.988  13.019 1.00 36.87  ? 5   H7V A HA   1 
HETATM 90  H HB2  . H7V A 1 5  ? 21.240 -2.117  13.364 1.00 39.52  ? 5   H7V A HB2  1 
HETATM 91  H HB1  . H7V A 1 5  ? 20.135 -3.157  13.817 1.00 39.52  ? 5   H7V A HB1  1 
HETATM 92  H H07  . H7V A 1 5  ? 22.560 -3.597  15.102 1.00 42.62  ? 5   H7V A H07  1 
HETATM 93  H H09  . H7V A 1 5  ? 22.837 -1.346  15.153 1.00 43.43  ? 5   H7V A H09  1 
HETATM 94  H H10  . H7V A 1 5  ? 21.297 -1.098  15.427 1.00 43.43  ? 5   H7V A H10  1 
HETATM 95  H H11  . H7V A 1 5  ? 22.360 -0.798  17.441 1.00 54.69  ? 5   H7V A H11  1 
HETATM 96  H H12  . H7V A 1 5  ? 23.168 -2.149  17.271 1.00 54.69  ? 5   H7V A H12  1 
HETATM 97  H H14  . H7V A 1 5  ? 20.402 -2.017  17.852 1.00 43.27  ? 5   H7V A H14  1 
HETATM 98  H H13  . H7V A 1 5  ? 21.519 -2.423  18.898 1.00 43.27  ? 5   H7V A H13  1 
HETATM 99  H H16  . H7V A 1 5  ? 20.528 -4.392  18.014 1.00 41.17  ? 5   H7V A H16  1 
HETATM 100 H H15  . H7V A 1 5  ? 22.040 -4.331  17.543 1.00 41.17  ? 5   H7V A H15  1 
HETATM 101 H H17  . H7V A 1 5  ? 19.917 -3.147  16.007 1.00 37.74  ? 5   H7V A H17  1 
HETATM 102 H H18  . H7V A 1 5  ? 20.487 -4.587  15.653 1.00 37.74  ? 5   H7V A H18  1 
HETATM 103 H H04  . H7V A 1 5  ? 24.522 -2.831  12.134 1.00 48.31  ? 5   H7V A H04  1 
HETATM 104 H H03  . H7V A 1 5  ? 23.887 -2.386  13.514 1.00 48.31  ? 5   H7V A H03  1 
HETATM 105 H H02  . H7V A 1 5  ? 23.065 -2.212  12.171 1.00 48.31  ? 5   H7V A H02  1 
ATOM   106 N N    . PHE A 1 6  ? 19.944 -4.646  11.466 1.00 27.36  ? 6   PHE A N    1 
ATOM   107 C CA   . PHE A 1 6  ? 19.105 -4.629  10.270 1.00 28.36  ? 6   PHE A CA   1 
ATOM   108 C C    . PHE A 1 6  ? 17.663 -4.416  10.697 1.00 33.39  ? 6   PHE A C    1 
ATOM   109 O O    . PHE A 1 6  ? 17.228 -4.786  11.789 1.00 28.97  ? 6   PHE A O    1 
ATOM   110 C CB   . PHE A 1 6  ? 19.217 -5.940  9.509  1.00 26.07  ? 6   PHE A CB   1 
ATOM   111 C CG   . PHE A 1 6  ? 20.536 -6.159  8.918  1.00 30.26  ? 6   PHE A CG   1 
ATOM   112 C CD1  . PHE A 1 6  ? 21.506 -6.770  9.659  1.00 38.29  ? 6   PHE A CD1  1 
ATOM   113 C CD2  . PHE A 1 6  ? 20.803 -5.730  7.616  1.00 37.89  ? 6   PHE A CD2  1 
ATOM   114 C CE1  . PHE A 1 6  ? 22.757 -6.963  9.112  1.00 40.45  ? 6   PHE A CE1  1 
ATOM   115 C CE2  . PHE A 1 6  ? 22.042 -5.902  7.062  1.00 44.86  ? 6   PHE A CE2  1 
ATOM   116 C CZ   . PHE A 1 6  ? 23.028 -6.517  7.809  1.00 48.08  ? 6   PHE A CZ   1 
ATOM   117 H H    . PHE A 1 6  ? 19.634 -5.153  12.088 1.00 32.88  ? 6   PHE A H    1 
ATOM   118 H HA   . PHE A 1 6  ? 19.389 -3.920  9.672  1.00 34.08  ? 6   PHE A HA   1 
ATOM   119 H HB2  . PHE A 1 6  ? 19.040 -6.673  10.120 1.00 31.32  ? 6   PHE A HB2  1 
ATOM   120 H HB3  . PHE A 1 6  ? 18.566 -5.942  8.790  1.00 31.32  ? 6   PHE A HB3  1 
ATOM   121 H HD1  . PHE A 1 6  ? 21.325 -7.054  10.526 1.00 45.99  ? 6   PHE A HD1  1 
ATOM   122 H HD2  . PHE A 1 6  ? 20.130 -5.323  7.120  1.00 45.51  ? 6   PHE A HD2  1 
ATOM   123 H HE1  . PHE A 1 6  ? 23.420 -7.388  9.606  1.00 48.58  ? 6   PHE A HE1  1 
ATOM   124 H HE2  . PHE A 1 6  ? 22.217 -5.609  6.196  1.00 53.87  ? 6   PHE A HE2  1 
ATOM   125 H HZ   . PHE A 1 6  ? 23.876 -6.636  7.447  1.00 57.74  ? 6   PHE A HZ   1 
ATOM   126 N N    . ALA A 1 7  ? 16.873 -3.855  9.801  1.00 30.07  ? 7   ALA A N    1 
ATOM   127 C CA   . ALA A 1 7  ? 15.452 -3.744  10.030 1.00 27.41  ? 7   ALA A CA   1 
ATOM   128 C C    . ALA A 1 7  ? 14.724 -4.314  8.841  1.00 38.33  ? 7   ALA A C    1 
ATOM   129 O O    . ALA A 1 7  ? 15.046 -3.961  7.719  1.00 36.20  ? 7   ALA A O    1 
ATOM   130 C CB   . ALA A 1 7  ? 15.036 -2.293  10.220 1.00 35.69  ? 7   ALA A CB   1 
ATOM   131 H H    . ALA A 1 7  ? 17.141 -3.530  9.051  1.00 36.12  ? 7   ALA A H    1 
ATOM   132 H HA   . ALA A 1 7  ? 15.215 -4.247  10.825 1.00 32.93  ? 7   ALA A HA   1 
ATOM   133 H HB1  . ALA A 1 7  ? 14.068 -2.246  10.268 1.00 42.88  ? 7   ALA A HB1  1 
ATOM   134 H HB2  . ALA A 1 7  ? 15.424 -1.958  11.043 1.00 42.88  ? 7   ALA A HB2  1 
ATOM   135 H HB3  . ALA A 1 7  ? 15.355 -1.772  9.467  1.00 42.88  ? 7   ALA A HB3  1 
ATOM   136 N N    . GLU A 1 8  ? 13.788 -5.209  9.096  1.00 41.98  ? 8   GLU A N    1 
ATOM   137 C CA   . GLU A 1 8  ? 12.980 -5.817  8.057  1.00 49.58  ? 8   GLU A CA   1 
ATOM   138 C C    . GLU A 1 8  ? 11.522 -5.656  8.404  1.00 49.34  ? 8   GLU A C    1 
ATOM   139 O O    . GLU A 1 8  ? 10.989 -6.384  9.256  1.00 47.80  ? 8   GLU A O    1 
ATOM   140 C CB   . GLU A 1 8  ? 13.307 -7.290  7.908  1.00 43.97  ? 8   GLU A CB   1 
ATOM   141 C CG   . GLU A 1 8  ? 14.719 -7.555  7.488  1.00 41.62  ? 8   GLU A CG   1 
ATOM   142 C CD   . GLU A 1 8  ? 15.050 -6.929  6.140  1.00 50.30  ? 8   GLU A CD   1 
ATOM   143 O OE1  . GLU A 1 8  ? 14.096 -6.679  5.361  1.00 49.79  ? 8   GLU A OE1  1 
ATOM   144 O OE2  . GLU A 1 8  ? 16.259 -6.700  5.885  1.00 42.87  ? 8   GLU A OE2  1 
ATOM   145 H H    . GLU A 1 8  ? 13.595 -5.490  9.886  1.00 50.42  ? 8   GLU A H    1 
ATOM   146 H HA   . GLU A 1 8  ? 13.165 -5.390  7.206  1.00 59.54  ? 8   GLU A HA   1 
ATOM   147 H HB2  . GLU A 1 8  ? 13.164 -7.729  8.761  1.00 52.80  ? 8   GLU A HB2  1 
ATOM   148 H HB3  . GLU A 1 8  ? 12.722 -7.673  7.236  1.00 52.80  ? 8   GLU A HB3  1 
ATOM   149 H HG2  . GLU A 1 8  ? 15.322 -7.183  8.150  1.00 49.99  ? 8   GLU A HG2  1 
ATOM   150 H HG3  . GLU A 1 8  ? 14.855 -8.513  7.418  1.00 49.99  ? 8   GLU A HG3  1 
HETATM 151 N N    . ORN A 1 9  ? 7.670  -3.787  11.553 1.00 48.89  ? 9   ORN A N    1 
HETATM 152 C CA   . ORN A 1 9  ? 9.044  -4.343  11.138 1.00 49.27  ? 9   ORN A CA   1 
HETATM 153 C CB   . ORN A 1 9  ? 9.845  -3.319  10.294 1.00 52.88  ? 9   ORN A CB   1 
HETATM 154 C CG   . ORN A 1 9  ? 9.319  -3.127  8.857  1.00 53.85  ? 9   ORN A CG   1 
HETATM 155 C CD   . ORN A 1 9  ? 9.480  -4.386  7.990  1.00 63.00  ? 9   ORN A CD   1 
HETATM 156 N NE   . ORN A 1 9  ? 10.869 -4.649  7.743  1.00 43.40  ? 9   ORN A NE   1 
HETATM 157 C C    . ORN A 1 9  ? 9.861  -4.729  12.362 1.00 49.83  ? 9   ORN A C    1 
HETATM 158 O O    . ORN A 1 9  ? 9.851  -4.060  13.396 1.00 55.85  ? 9   ORN A O    1 
HETATM 159 H H    . ORN A 1 9  ? 7.701  -2.834  11.924 1.00 58.71  ? 9   ORN A H    1 
HETATM 160 H HA   . ORN A 1 9  ? 8.819  -5.248  10.566 1.00 59.16  ? 9   ORN A HA   1 
HETATM 161 H HB2  . ORN A 1 9  ? 9.799  -2.342  10.796 1.00 63.50  ? 9   ORN A HB2  1 
HETATM 162 H HB3  . ORN A 1 9  ? 10.885 -3.666  10.221 1.00 63.50  ? 9   ORN A HB3  1 
HETATM 163 H HG2  . ORN A 1 9  ? 8.258  -2.857  8.899  1.00 64.66  ? 9   ORN A HG2  1 
HETATM 164 H HG3  . ORN A 1 9  ? 9.861  -2.299  8.387  1.00 64.66  ? 9   ORN A HG3  1 
HETATM 165 H HD2  . ORN A 1 9  ? 8.969  -4.231  7.034  1.00 75.65  ? 9   ORN A HD2  1 
HETATM 166 H HD3  . ORN A 1 9  ? 9.041  -5.241  8.513  1.00 75.65  ? 9   ORN A HD3  1 
HETATM 167 H HE1  . ORN A 1 9  ? 11.326 -4.049  7.052  1.00 52.13  ? 9   ORN A HE1  1 
ATOM   168 N N    . ALA A 1 10 ? 10.609 -5.863  12.241 1.00 41.97  ? 10  ALA A N    1 
ATOM   169 C CA   . ALA A 1 10 ? 11.413 -6.307  13.347 1.00 48.27  ? 10  ALA A CA   1 
ATOM   170 C C    . ALA A 1 10 ? 12.802 -5.867  13.043 1.00 37.47  ? 10  ALA A C    1 
ATOM   171 O O    . ALA A 1 10 ? 13.234 -5.809  11.902 1.00 37.69  ? 10  ALA A O    1 
ATOM   172 C CB   . ALA A 1 10 ? 11.358 -7.790  13.555 1.00 51.60  ? 10  ALA A CB   1 
ATOM   173 H H    . ALA A 1 10 ? 10.647 -6.357  11.538 1.00 50.41  ? 10  ALA A H    1 
ATOM   174 H HA   . ALA A 1 10 ? 11.085 -5.936  14.181 1.00 57.97  ? 10  ALA A HA   1 
ATOM   175 H HB1  . ALA A 1 10 ? 11.887 -8.020  14.335 1.00 61.96  ? 10  ALA A HB1  1 
ATOM   176 H HB2  . ALA A 1 10 ? 10.435 -8.056  13.692 1.00 61.96  ? 10  ALA A HB2  1 
ATOM   177 H HB3  . ALA A 1 10 ? 11.717 -8.233  12.770 1.00 61.96  ? 10  ALA A HB3  1 
ATOM   178 N N    . ILE A 1 11 ? 13.461 -5.517  14.106 1.00 36.82  ? 11  ILE A N    1 
ATOM   179 C CA   . ILE A 1 11 ? 14.846 -5.134  14.095 1.00 32.03  ? 11  ILE A CA   1 
ATOM   180 C C    . ILE A 1 11 ? 15.608 -6.333  14.563 1.00 30.04  ? 11  ILE A C    1 
ATOM   181 O O    . ILE A 1 11 ? 15.179 -7.011  15.500 1.00 31.13  ? 11  ILE A O    1 
ATOM   182 C CB   . ILE A 1 11 ? 15.091 -3.924  14.989 1.00 31.46  ? 11  ILE A CB   1 
ATOM   183 C CG1  . ILE A 1 11 ? 14.259 -2.785  14.395 1.00 38.97  ? 11  ILE A CG1  1 
ATOM   184 C CG2  . ILE A 1 11 ? 16.569 -3.632  15.071 1.00 35.70  ? 11  ILE A CG2  1 
ATOM   185 C CD1  . ILE A 1 11 ? 14.541 -1.495  15.037 1.00 45.02  ? 11  ILE A CD1  1 
ATOM   186 H H    . ILE A 1 11 ? 13.113 -5.490  14.892 1.00 44.23  ? 11  ILE A H    1 
ATOM   187 H HA   . ILE A 1 11 ? 15.137 -4.891  13.202 1.00 38.48  ? 11  ILE A HA   1 
ATOM   188 H HB   . ILE A 1 11 ? 14.814 -4.070  15.907 1.00 37.79  ? 11  ILE A HB   1 
ATOM   189 H HG12 . ILE A 1 11 ? 14.462 -2.703  13.450 1.00 46.81  ? 11  ILE A HG12 1 
ATOM   190 H HG13 . ILE A 1 11 ? 13.317 -2.983  14.516 1.00 46.81  ? 11  ILE A HG13 1 
ATOM   191 H HG21 . ILE A 1 11 ? 16.712 -2.900  15.692 1.00 42.89  ? 11  ILE A HG21 1 
ATOM   192 H HG22 . ILE A 1 11 ? 17.031 -4.426  15.383 1.00 42.89  ? 11  ILE A HG22 1 
ATOM   193 H HG23 . ILE A 1 11 ? 16.892 -3.386  14.190 1.00 42.89  ? 11  ILE A HG23 1 
ATOM   194 H HD11 . ILE A 1 11 ? 14.490 -1.603  15.999 1.00 54.07  ? 11  ILE A HD11 1 
ATOM   195 H HD12 . ILE A 1 11 ? 13.885 -0.845  14.742 1.00 54.07  ? 11  ILE A HD12 1 
ATOM   196 H HD13 . ILE A 1 11 ? 15.432 -1.204  14.784 1.00 54.07  ? 11  ILE A HD13 1 
ATOM   197 N N    . ILE A 1 12 ? 16.671 -6.674  13.860 1.00 26.01  ? 12  ILE A N    1 
ATOM   198 C CA   . ILE A 1 12 ? 17.516 -7.781  14.231 1.00 25.94  ? 12  ILE A CA   1 
ATOM   199 C C    . ILE A 1 12 ? 18.920 -7.255  14.443 1.00 28.05  ? 12  ILE A C    1 
ATOM   200 O O    . ILE A 1 12 ? 19.467 -6.565  13.571 1.00 29.53  ? 12  ILE A O    1 
ATOM   201 C CB   . ILE A 1 12 ? 17.576 -8.881  13.156 1.00 36.57  ? 12  ILE A CB   1 
ATOM   202 C CG1  . ILE A 1 12 ? 16.205 -9.349  12.674 1.00 47.19  ? 12  ILE A CG1  1 
ATOM   203 C CG2  . ILE A 1 12 ? 18.338 -10.046 13.716 1.00 40.21  ? 12  ILE A CG2  1 
ATOM   204 C CD1  . ILE A 1 12 ? 15.112 -9.299  13.665 1.00 50.51  ? 12  ILE A CD1  1 
ATOM   205 H H    . ILE A 1 12 ? 16.927 -6.266  13.147 1.00 31.25  ? 12  ILE A H    1 
ATOM   206 H HA   . ILE A 1 12 ? 17.161 -8.157  15.051 1.00 31.17  ? 12  ILE A HA   1 
ATOM   207 H HB   . ILE A 1 12 ? 18.017 -8.499  12.381 1.00 43.92  ? 12  ILE A HB   1 
ATOM   208 H HG12 . ILE A 1 12 ? 15.940 -8.789  11.928 1.00 56.67  ? 12  ILE A HG12 1 
ATOM   209 H HG13 . ILE A 1 12 ? 16.286 -10.272 12.385 1.00 56.67  ? 12  ILE A HG13 1 
ATOM   210 H HG21 . ILE A 1 12 ? 18.388 -10.743 13.043 1.00 48.30  ? 12  ILE A HG21 1 
ATOM   211 H HG22 . ILE A 1 12 ? 19.231 -9.753  13.956 1.00 48.30  ? 12  ILE A HG22 1 
ATOM   212 H HG23 . ILE A 1 12 ? 17.876 -10.377 14.502 1.00 48.30  ? 12  ILE A HG23 1 
ATOM   213 H HD11 . ILE A 1 12 ? 14.310 -9.675  13.269 1.00 60.66  ? 12  ILE A HD11 1 
ATOM   214 H HD12 . ILE A 1 12 ? 15.369 -9.814  14.445 1.00 60.66  ? 12  ILE A HD12 1 
ATOM   215 H HD13 . ILE A 1 12 ? 14.954 -8.375  13.915 1.00 60.66  ? 12  ILE A HD13 1 
ATOM   216 N N    . GLY A 1 13 ? 19.551 -7.641  15.552 1.00 28.46  ? 13  GLY A N    1 
ATOM   217 C CA   . GLY A 1 13 ? 20.955 -7.376  15.804 1.00 25.28  ? 13  GLY A CA   1 
ATOM   218 C C    . GLY A 1 13 ? 21.724 -8.671  15.890 1.00 27.14  ? 13  GLY A C    1 
ATOM   219 O O    . GLY A 1 13 ? 21.350 -9.557  16.648 1.00 30.43  ? 13  GLY A O    1 
ATOM   220 H H    . GLY A 1 13 ? 19.171 -8.072  16.192 1.00 34.19  ? 13  GLY A H    1 
ATOM   221 H HA2  . GLY A 1 13 ? 21.323 -6.839  15.085 1.00 30.38  ? 13  GLY A HA2  1 
ATOM   222 H HA3  . GLY A 1 13 ? 21.054 -6.895  16.641 1.00 30.38  ? 13  GLY A HA3  1 
ATOM   223 N N    . LEU A 1 14 ? 22.747 -8.814  15.071 1.00 26.77  ? 14  LEU A N    1 
ATOM   224 C CA   . LEU A 1 14 ? 23.548 -10.019 15.016 1.00 32.38  ? 14  LEU A CA   1 
ATOM   225 C C    . LEU A 1 14 ? 24.932 -9.723  15.553 1.00 29.54  ? 14  LEU A C    1 
ATOM   226 O O    . LEU A 1 14 ? 25.439 -8.614  15.383 1.00 31.08  ? 14  LEU A O    1 
ATOM   227 C CB   . LEU A 1 14 ? 23.642 -10.551 13.588 1.00 35.35  ? 14  LEU A CB   1 
ATOM   228 C CG   . LEU A 1 14 ? 22.220 -10.877 13.106 1.00 42.37  ? 14  LEU A CG   1 
ATOM   229 C CD1  . LEU A 1 14 ? 22.256 -11.228 11.620 1.00 49.67  ? 14  LEU A CD1  1 
ATOM   230 C CD2  . LEU A 1 14 ? 21.554 -11.993 13.946 1.00 35.23  ? 14  LEU A CD2  1 
ATOM   231 H H    . LEU A 1 14 ? 23.006 -8.207  14.520 1.00 32.17  ? 14  LEU A H    1 
ATOM   232 H HA   . LEU A 1 14 ? 23.144 -10.711 15.562 1.00 38.90  ? 14  LEU A HA   1 
ATOM   233 H HB2  . LEU A 1 14 ? 24.031 -9.879  13.007 1.00 42.47  ? 14  LEU A HB2  1 
ATOM   234 H HB3  . LEU A 1 14 ? 24.180 -11.358 13.568 1.00 42.47  ? 14  LEU A HB3  1 
ATOM   235 H HG   . LEU A 1 14 ? 21.659 -10.095 13.227 1.00 50.88  ? 14  LEU A HG   1 
ATOM   236 H HD11 . LEU A 1 14 ? 21.359 -11.450 11.326 1.00 59.64  ? 14  LEU A HD11 1 
ATOM   237 H HD12 . LEU A 1 14 ? 22.587 -10.463 11.123 1.00 59.64  ? 14  LEU A HD12 1 
ATOM   238 H HD13 . LEU A 1 14 ? 22.845 -11.987 11.489 1.00 59.64  ? 14  LEU A HD13 1 
ATOM   239 H HD21 . LEU A 1 14 ? 21.112 -12.617 13.349 1.00 42.32  ? 14  LEU A HD21 1 
ATOM   240 H HD22 . LEU A 1 14 ? 22.238 -12.454 14.458 1.00 42.32  ? 14  LEU A HD22 1 
ATOM   241 H HD23 . LEU A 1 14 ? 20.905 -11.593 14.546 1.00 42.32  ? 14  LEU A HD23 1 
ATOM   242 N N    . MET A 1 15 ? 25.530 -10.735 16.165 1.00 34.17  ? 15  MET A N    1 
ATOM   243 C CA   . MET A 1 15 ? 26.887 -10.584 16.630 1.00 35.07  ? 15  MET A CA   1 
ATOM   244 C C    . MET A 1 15 ? 27.970 -10.993 15.642 1.00 39.79  ? 15  MET A C    1 
ATOM   245 O O    . MET A 1 15 ? 27.940 -12.047 15.014 1.00 39.18  ? 15  MET A O    1 
ATOM   246 C CB   . MET A 1 15 ? 27.093 -11.402 17.920 1.00 36.07  ? 15  MET A CB   1 
ATOM   247 C CG   . MET A 1 15 ? 26.266 -10.917 19.089 1.00 39.23  ? 15  MET A CG   1 
ATOM   248 S SD   . MET A 1 15 ? 26.286 -12.029 20.486 1.00 55.49  ? 15  MET A SD   1 
ATOM   249 C CE   . MET A 1 15 ? 28.025 -12.023 20.807 1.00 47.23  ? 15  MET A CE   1 
ATOM   250 H H    . MET A 1 15 ? 25.173 -11.502 16.317 1.00 41.05  ? 15  MET A H    1 
ATOM   251 H HA   . MET A 1 15 ? 26.995 -9.633  16.790 1.00 42.12  ? 15  MET A HA   1 
ATOM   252 H HB2  . MET A 1 15 ? 26.847 -12.325 17.746 1.00 43.32  ? 15  MET A HB2  1 
ATOM   253 H HB3  . MET A 1 15 ? 28.027 -11.350 18.176 1.00 43.32  ? 15  MET A HB3  1 
ATOM   254 H HG2  . MET A 1 15 ? 26.614 -10.061 19.386 1.00 47.12  ? 15  MET A HG2  1 
ATOM   255 H HG3  . MET A 1 15 ? 25.344 -10.818 18.802 1.00 47.12  ? 15  MET A HG3  1 
ATOM   256 H HE1  . MET A 1 15 ? 28.217 -12.652 21.521 1.00 56.72  ? 15  MET A HE1  1 
ATOM   257 H HE2  . MET A 1 15 ? 28.497 -12.284 20.001 1.00 56.72  ? 15  MET A HE2  1 
ATOM   258 H HE3  . MET A 1 15 ? 28.294 -11.130 21.073 1.00 56.72  ? 15  MET A HE3  1 
ATOM   259 N N    . VAL A 1 16 ? 28.979 -10.135 15.587 1.00 31.31  ? 16  VAL A N    1 
ATOM   260 C CA   . VAL A 1 16 ? 30.192 -10.330 14.760 1.00 36.74  ? 16  VAL A CA   1 
ATOM   261 C C    . VAL A 1 16 ? 31.244 -10.270 15.876 1.00 35.12  ? 16  VAL A C    1 
ATOM   262 O O    . VAL A 1 16 ? 31.804 -9.213  16.159 1.00 37.45  ? 16  VAL A O    1 
ATOM   263 C CB   . VAL A 1 16 ? 30.369 -9.300  13.683 1.00 38.72  ? 16  VAL A CB   1 
ATOM   264 C CG1  . VAL A 1 16 ? 31.606 -9.566  12.877 1.00 39.94  ? 16  VAL A CG1  1 
ATOM   265 C CG2  . VAL A 1 16 ? 29.184 -9.348  12.747 1.00 40.82  ? 16  VAL A CG2  1 
ATOM   266 H H    . VAL A 1 16 ? 29.008 -9.424  16.076 1.00 37.62  ? 16  VAL A H    1 
ATOM   267 H HA   . VAL A 1 16 ? 30.215 -11.139 14.225 1.00 44.13  ? 16  VAL A HA   1 
ATOM   268 H HB   . VAL A 1 16 ? 30.446 -8.429  14.104 1.00 46.51  ? 16  VAL A HB   1 
ATOM   269 H HG11 . VAL A 1 16 ? 31.697 -8.876  12.202 1.00 47.97  ? 16  VAL A HG11 1 
ATOM   270 H HG12 . VAL A 1 16 ? 32.376 -9.556  13.467 1.00 47.97  ? 16  VAL A HG12 1 
ATOM   271 H HG13 . VAL A 1 16 ? 31.526 -10.435 12.453 1.00 47.97  ? 16  VAL A HG13 1 
ATOM   272 H HG21 . VAL A 1 16 ? 29.304 -8.683  12.051 1.00 49.03  ? 16  VAL A HG21 1 
ATOM   273 H HG22 . VAL A 1 16 ? 29.129 -10.233 12.352 1.00 49.03  ? 16  VAL A HG22 1 
ATOM   274 H HG23 . VAL A 1 16 ? 28.376 -9.160  13.249 1.00 49.03  ? 16  VAL A HG23 1 
HETATM 275 N N    . ORN B 1 1  ? 27.229 12.256  15.705 1.00 56.62  ? 1   ORN B N    1 
HETATM 276 C CA   . ORN B 1 1  ? 28.275 11.214  15.636 1.00 52.72  ? 1   ORN B CA   1 
HETATM 277 C CB   . ORN B 1 1  ? 29.145 11.233  16.903 1.00 59.60  ? 1   ORN B CB   1 
HETATM 278 C CG   . ORN B 1 1  ? 30.353 12.146  16.815 1.00 69.55  ? 1   ORN B CG   1 
HETATM 279 C CD   . ORN B 1 1  ? 31.622 11.485  16.176 1.00 50.81  ? 1   ORN B CD   1 
HETATM 280 N NE   . ORN B 1 1  ? 31.918 10.186  16.731 1.00 51.01  ? 1   ORN B NE   1 
HETATM 281 C C    . ORN B 1 1  ? 27.704 9.820   15.537 1.00 44.03  ? 1   ORN B C    1 
HETATM 282 O O    . ORN B 1 1  ? 26.815 9.435   16.295 1.00 42.13  ? 1   ORN B O    1 
HETATM 283 H H1   . ORN B 1 1  ? 26.748 12.303  16.606 1.00 67.99  ? 1   ORN B H1   1 
HETATM 284 H H2   . ORN B 1 1  ? 26.480 12.139  15.018 1.00 67.99  ? 1   ORN B H2   1 
HETATM 285 H H3   . ORN B 1 1  ? 27.577 13.205  15.549 1.00 67.99  ? 1   ORN B H3   1 
HETATM 286 H HA   . ORN B 1 1  ? 28.807 11.452  14.710 1.00 63.30  ? 1   ORN B HA   1 
HETATM 287 H HB2  . ORN B 1 1  ? 28.529 11.579  17.744 1.00 71.56  ? 1   ORN B HB2  1 
HETATM 288 H HB3  . ORN B 1 1  ? 29.513 10.214  17.088 1.00 71.56  ? 1   ORN B HB3  1 
HETATM 289 H HG2  . ORN B 1 1  ? 30.608 12.485  17.826 1.00 83.51  ? 1   ORN B HG2  1 
HETATM 290 H HG3  . ORN B 1 1  ? 30.083 13.026  16.221 1.00 83.51  ? 1   ORN B HG3  1 
HETATM 291 H HD2  . ORN B 1 1  ? 31.451 11.372  15.102 1.00 61.02  ? 1   ORN B HD2  1 
HETATM 292 H HD3  . ORN B 1 1  ? 32.481 12.140  16.352 1.00 61.02  ? 1   ORN B HD3  1 
HETATM 293 H HE1  . ORN B 1 1  ? 31.803 10.099  17.737 1.00 61.26  ? 1   ORN B HE1  1 
ATOM   294 N N    . LYS B 1 2  ? 28.270 8.985   14.619 1.00 41.47  ? 2   LYS B N    1 
ATOM   295 C CA   . LYS B 1 2  ? 27.781 7.599   14.517 1.00 35.05  ? 2   LYS B CA   1 
ATOM   296 C C    . LYS B 1 2  ? 28.040 6.819   15.809 1.00 40.32  ? 2   LYS B C    1 
ATOM   297 O O    . LYS B 1 2  ? 29.001 7.087   16.538 1.00 38.80  ? 2   LYS B O    1 
ATOM   298 C CB   . LYS B 1 2  ? 28.429 6.904   13.311 1.00 46.01  ? 2   LYS B CB   1 
ATOM   299 C CG   . LYS B 1 2  ? 28.011 5.449   12.969 1.00 38.36  ? 2   LYS B CG   1 
ATOM   300 C CD   . LYS B 1 2  ? 28.828 4.963   11.718 1.00 54.42  ? 2   LYS B CD   1 
ATOM   301 C CE   . LYS B 1 2  ? 29.741 3.757   11.987 1.00 60.46  ? 2   LYS B CE   1 
ATOM   302 N NZ   . LYS B 1 2  ? 30.024 2.950   10.754 1.00 68.34  ? 2   LYS B NZ   1 
ATOM   303 H H    . LYS B 1 2  ? 28.903 9.196   14.077 1.00 49.81  ? 2   LYS B H    1 
ATOM   304 H HA   . LYS B 1 2  ? 26.821 7.603   14.379 1.00 41.84  ? 2   LYS B HA   1 
ATOM   305 H HB2  . LYS B 1 2  ? 28.231 7.437   12.526 1.00 55.25  ? 2   LYS B HB2  1 
ATOM   306 H HB3  . LYS B 1 2  ? 29.387 6.884   13.466 1.00 55.25  ? 2   LYS B HB3  1 
ATOM   307 H HG2  . LYS B 1 2  ? 28.205 4.864   13.718 1.00 46.08  ? 2   LYS B HG2  1 
ATOM   308 H HG3  . LYS B 1 2  ? 27.065 5.417   12.759 1.00 46.08  ? 2   LYS B HG3  1 
ATOM   309 H HD2  . LYS B 1 2  ? 28.204 4.708   11.020 1.00 65.34  ? 2   LYS B HD2  1 
ATOM   310 H HD3  . LYS B 1 2  ? 29.389 5.693   11.411 1.00 65.34  ? 2   LYS B HD3  1 
ATOM   311 H HE2  . LYS B 1 2  ? 30.588 4.074   12.338 1.00 72.59  ? 2   LYS B HE2  1 
ATOM   312 H HE3  . LYS B 1 2  ? 29.312 3.175   12.634 1.00 72.59  ? 2   LYS B HE3  1 
ATOM   313 H HZ1  . LYS B 1 2  ? 30.542 2.255   10.957 1.00 82.05  ? 2   LYS B HZ1  1 
ATOM   314 H HZ2  . LYS B 1 2  ? 29.262 2.650   10.406 1.00 82.05  ? 2   LYS B HZ2  1 
ATOM   315 H HZ3  . LYS B 1 2  ? 30.440 3.453   10.150 1.00 82.05  ? 2   LYS B HZ3  1 
ATOM   316 N N    . LEU B 1 3  ? 27.163 5.876   16.106 1.00 32.45  ? 3   LEU B N    1 
ATOM   317 C CA   . LEU B 1 3  ? 27.284 4.995   17.245 1.00 30.26  ? 3   LEU B CA   1 
ATOM   318 C C    . LEU B 1 3  ? 27.642 3.598   16.762 1.00 34.24  ? 3   LEU B C    1 
ATOM   319 O O    . LEU B 1 3  ? 27.110 3.136   15.749 1.00 33.13  ? 3   LEU B O    1 
ATOM   320 C CB   . LEU B 1 3  ? 25.991 4.845   18.044 1.00 29.18  ? 3   LEU B CB   1 
ATOM   321 C CG   . LEU B 1 3  ? 25.596 6.110   18.774 1.00 31.27  ? 3   LEU B CG   1 
ATOM   322 C CD1  . LEU B 1 3  ? 24.191 6.019   19.348 1.00 31.57  ? 3   LEU B CD1  1 
ATOM   323 C CD2  . LEU B 1 3  ? 26.569 6.308   19.872 1.00 39.26  ? 3   LEU B CD2  1 
ATOM   324 H H    . LEU B 1 3  ? 26.458 5.722   15.639 1.00 38.98  ? 3   LEU B H    1 
ATOM   325 H HA   . LEU B 1 3  ? 27.968 5.372   17.821 1.00 36.35  ? 3   LEU B HA   1 
ATOM   326 H HB2  . LEU B 1 3  ? 25.272 4.612   17.437 1.00 35.06  ? 3   LEU B HB2  1 
ATOM   327 H HB3  . LEU B 1 3  ? 26.109 4.143   18.703 1.00 35.06  ? 3   LEU B HB3  1 
ATOM   328 H HG   . LEU B 1 3  ? 25.599 6.860   18.159 1.00 37.57  ? 3   LEU B HG   1 
ATOM   329 H HD11 . LEU B 1 3  ? 23.983 6.848   19.807 1.00 37.93  ? 3   LEU B HD11 1 
ATOM   330 H HD12 . LEU B 1 3  ? 23.562 5.875   18.624 1.00 37.93  ? 3   LEU B HD12 1 
ATOM   331 H HD13 . LEU B 1 3  ? 24.152 5.277   19.972 1.00 37.93  ? 3   LEU B HD13 1 
ATOM   332 H HD21 . LEU B 1 3  ? 26.246 7.011   20.457 1.00 47.15  ? 3   LEU B HD21 1 
ATOM   333 H HD22 . LEU B 1 3  ? 26.658 5.479   20.368 1.00 47.15  ? 3   LEU B HD22 1 
ATOM   334 H HD23 . LEU B 1 3  ? 27.425 6.560   19.493 1.00 47.15  ? 3   LEU B HD23 1 
ATOM   335 N N    . VAL B 1 4  ? 28.502 2.930   17.514 1.00 30.56  ? 4   VAL B N    1 
ATOM   336 C CA   . VAL B 1 4  ? 28.853 1.537   17.257 1.00 29.38  ? 4   VAL B CA   1 
ATOM   337 C C    . VAL B 1 4  ? 28.517 0.692   18.485 1.00 33.07  ? 4   VAL B C    1 
ATOM   338 O O    . VAL B 1 4  ? 28.942 1.049   19.557 1.00 28.78  ? 4   VAL B O    1 
ATOM   339 C CB   . VAL B 1 4  ? 30.350 1.446   16.915 1.00 34.87  ? 4   VAL B CB   1 
ATOM   340 C CG1  . VAL B 1 4  ? 30.721 0.026   16.661 1.00 47.96  ? 4   VAL B CG1  1 
ATOM   341 C CG2  . VAL B 1 4  ? 30.702 2.366   15.731 1.00 40.29  ? 4   VAL B CG2  1 
ATOM   342 H H    . VAL B 1 4  ? 28.907 3.265   18.195 1.00 36.72  ? 4   VAL B H    1 
ATOM   343 H HA   . VAL B 1 4  ? 28.344 1.189   16.508 1.00 35.30  ? 4   VAL B HA   1 
ATOM   344 H HB   . VAL B 1 4  ? 30.878 1.758   17.667 1.00 41.88  ? 4   VAL B HB   1 
ATOM   345 H HG11 . VAL B 1 4  ? 31.662 -0.017  16.428 1.00 57.60  ? 4   VAL B HG11 1 
ATOM   346 H HG12 . VAL B 1 4  ? 30.183 -0.315  15.930 1.00 57.60  ? 4   VAL B HG12 1 
ATOM   347 H HG13 . VAL B 1 4  ? 30.556 -0.492  17.464 1.00 57.60  ? 4   VAL B HG13 1 
ATOM   348 H HG21 . VAL B 1 4  ? 31.656 2.314   15.564 1.00 48.39  ? 4   VAL B HG21 1 
ATOM   349 H HG22 . VAL B 1 4  ? 30.212 2.072   14.947 1.00 48.39  ? 4   VAL B HG22 1 
ATOM   350 H HG23 . VAL B 1 4  ? 30.454 3.277   15.954 1.00 48.39  ? 4   VAL B HG23 1 
HETATM 351 N N    . H7V B 1 5  ? 27.829 -0.434  18.325 1.00 31.95  ? 5   H7V B N    1 
HETATM 352 C CA   . H7V B 1 5  ? 27.533 -1.352  19.446 1.00 28.11  ? 5   H7V B CA   1 
HETATM 353 C C    . H7V B 1 5  ? 28.211 -2.515  19.560 1.00 29.84  ? 5   H7V B C    1 
HETATM 354 O O    . H7V B 1 5  ? 28.585 -3.143  18.625 1.00 30.14  ? 5   H7V B O    1 
HETATM 355 C CB   . H7V B 1 5  ? 26.039 -1.619  19.542 1.00 27.05  ? 5   H7V B CB   1 
HETATM 356 C C01  . H7V B 1 5  ? 25.233 -0.545  20.212 1.00 36.35  ? 5   H7V B C01  1 
HETATM 357 C C02  . H7V B 1 5  ? 25.383 0.855   19.733 1.00 47.39  ? 5   H7V B C02  1 
HETATM 358 C C03  . H7V B 1 5  ? 24.484 1.808   20.529 1.00 32.31  ? 5   H7V B C03  1 
HETATM 359 C C04  . H7V B 1 5  ? 22.986 1.525   20.440 1.00 32.18  ? 5   H7V B C04  1 
HETATM 360 C C05  . H7V B 1 5  ? 22.794 0.036   20.678 1.00 54.27  ? 5   H7V B C05  1 
HETATM 361 C C06  . H7V B 1 5  ? 23.774 -0.895  19.893 1.00 46.21  ? 5   H7V B C06  1 
HETATM 362 C C07  . H7V B 1 5  ? 27.544 -1.078  17.034 1.00 38.80  ? 5   H7V B C07  1 
HETATM 363 H HA   . H7V B 1 5  ? 27.888 -0.857  20.200 1.00 33.78  ? 5   H7V B HA   1 
HETATM 364 H HB2  . H7V B 1 5  ? 25.697 -1.732  18.642 1.00 32.50  ? 5   H7V B HB2  1 
HETATM 365 H HB1  . H7V B 1 5  ? 25.914 -2.441  20.041 1.00 32.50  ? 5   H7V B HB1  1 
HETATM 366 H H07  . H7V B 1 5  ? 25.529 -0.542  21.135 1.00 43.66  ? 5   H7V B H07  1 
HETATM 367 H H09  . H7V B 1 5  ? 26.308 1.129   19.839 1.00 56.92  ? 5   H7V B H09  1 
HETATM 368 H H10  . H7V B 1 5  ? 25.139 0.898   18.795 1.00 56.92  ? 5   H7V B H10  1 
HETATM 369 H H11  . H7V B 1 5  ? 24.638 2.708   20.201 1.00 38.81  ? 5   H7V B H11  1 
HETATM 370 H H12  . H7V B 1 5  ? 24.744 1.755   21.462 1.00 38.81  ? 5   H7V B H12  1 
HETATM 371 H H14  . H7V B 1 5  ? 22.654 1.767   19.562 1.00 38.66  ? 5   H7V B H14  1 
HETATM 372 H H13  . H7V B 1 5  ? 22.512 2.033   21.117 1.00 38.66  ? 5   H7V B H13  1 
HETATM 373 H H16  . H7V B 1 5  ? 21.889 -0.195  20.418 1.00 65.17  ? 5   H7V B H16  1 
HETATM 374 H H15  . H7V B 1 5  ? 22.914 -0.134  21.626 1.00 65.17  ? 5   H7V B H15  1 
HETATM 375 H H17  . H7V B 1 5  ? 23.623 -0.783  18.942 1.00 55.49  ? 5   H7V B H17  1 
HETATM 376 H H18  . H7V B 1 5  ? 23.608 -1.816  20.149 1.00 55.49  ? 5   H7V B H18  1 
HETATM 377 H H04  . H7V B 1 5  ? 27.170 -1.959  17.187 1.00 46.61  ? 5   H7V B H04  1 
HETATM 378 H H03  . H7V B 1 5  ? 26.909 -0.539  16.537 1.00 46.61  ? 5   H7V B H03  1 
HETATM 379 H H02  . H7V B 1 5  ? 28.366 -1.160  16.525 1.00 46.61  ? 5   H7V B H02  1 
ATOM   380 N N    . PHE B 1 6  ? 28.517 -2.878  20.818 1.00 28.23  ? 6   PHE B N    1 
ATOM   381 C CA   . PHE B 1 6  ? 29.211 -4.133  21.117 1.00 26.58  ? 6   PHE B CA   1 
ATOM   382 C C    . PHE B 1 6  ? 28.501 -4.854  22.257 1.00 32.06  ? 6   PHE B C    1 
ATOM   383 O O    . PHE B 1 6  ? 27.938 -4.248  23.175 1.00 35.32  ? 6   PHE B O    1 
ATOM   384 C CB   . PHE B 1 6  ? 30.663 -3.916  21.513 1.00 30.70  ? 6   PHE B CB   1 
ATOM   385 C CG   . PHE B 1 6  ? 31.474 -3.171  20.483 1.00 31.50  ? 6   PHE B CG   1 
ATOM   386 C CD1  . PHE B 1 6  ? 31.417 -1.782  20.409 1.00 30.59  ? 6   PHE B CD1  1 
ATOM   387 C CD2  . PHE B 1 6  ? 32.313 -3.850  19.627 1.00 33.77  ? 6   PHE B CD2  1 
ATOM   388 C CE1  . PHE B 1 6  ? 32.169 -1.104  19.497 1.00 34.91  ? 6   PHE B CE1  1 
ATOM   389 C CE2  . PHE B 1 6  ? 33.087 -3.165  18.713 1.00 34.29  ? 6   PHE B CE2  1 
ATOM   390 C CZ   . PHE B 1 6  ? 32.973 -1.794  18.644 1.00 33.46  ? 6   PHE B CZ   1 
ATOM   391 H H    . PHE B 1 6  ? 28.330 -2.410  21.515 1.00 33.92  ? 6   PHE B H    1 
ATOM   392 H HA   . PHE B 1 6  ? 29.209 -4.675  20.313 1.00 31.95  ? 6   PHE B HA   1 
ATOM   393 H HB2  . PHE B 1 6  ? 30.688 -3.403  22.336 1.00 36.88  ? 6   PHE B HB2  1 
ATOM   394 H HB3  . PHE B 1 6  ? 31.081 -4.781  21.648 1.00 36.88  ? 6   PHE B HB3  1 
ATOM   395 H HD1  . PHE B 1 6  ? 30.860 -1.312  20.987 1.00 36.75  ? 6   PHE B HD1  1 
ATOM   396 H HD2  . PHE B 1 6  ? 32.358 -4.778  19.666 1.00 40.57  ? 6   PHE B HD2  1 
ATOM   397 H HE1  . PHE B 1 6  ? 32.133 -0.176  19.458 1.00 41.94  ? 6   PHE B HE1  1 
ATOM   398 H HE2  . PHE B 1 6  ? 33.675 -3.620  18.154 1.00 41.19  ? 6   PHE B HE2  1 
ATOM   399 H HZ   . PHE B 1 6  ? 33.456 -1.329  17.999 1.00 40.19  ? 6   PHE B HZ   1 
ATOM   400 N N    . ALA B 1 7  ? 28.598 -6.170  22.203 1.00 30.79  ? 7   ALA B N    1 
ATOM   401 C CA   . ALA B 1 7  ? 28.083 -7.048  23.253 1.00 32.53  ? 7   ALA B CA   1 
ATOM   402 C C    . ALA B 1 7  ? 29.291 -7.656  23.937 1.00 34.04  ? 7   ALA B C    1 
ATOM   403 O O    . ALA B 1 7  ? 30.045 -8.438  23.333 1.00 38.26  ? 7   ALA B O    1 
ATOM   404 C CB   . ALA B 1 7  ? 27.160 -8.117  22.668 1.00 33.54  ? 7   ALA B CB   1 
ATOM   405 H H    . ALA B 1 7  ? 28.967 -6.594  21.552 1.00 36.99  ? 7   ALA B H    1 
ATOM   406 H HA   . ALA B 1 7  ? 27.567 -6.546  23.903 1.00 39.08  ? 7   ALA B HA   1 
ATOM   407 H HB1  . ALA B 1 7  ? 26.819 -8.669  23.389 1.00 40.29  ? 7   ALA B HB1  1 
ATOM   408 H HB2  . ALA B 1 7  ? 26.425 -7.683  22.208 1.00 40.29  ? 7   ALA B HB2  1 
ATOM   409 H HB3  . ALA B 1 7  ? 27.664 -8.663  22.044 1.00 40.29  ? 7   ALA B HB3  1 
ATOM   410 N N    . GLU B 1 8  ? 29.457 -7.319  25.218 1.00 40.88  ? 8   GLU B N    1 
ATOM   411 C CA   . GLU B 1 8  ? 30.578 -7.758  26.014 1.00 53.90  ? 8   GLU B CA   1 
ATOM   412 C C    . GLU B 1 8  ? 30.079 -8.489  27.259 1.00 45.92  ? 8   GLU B C    1 
ATOM   413 O O    . GLU B 1 8  ? 29.653 -7.861  28.222 1.00 51.84  ? 8   GLU B O    1 
ATOM   414 C CB   . GLU B 1 8  ? 31.456 -6.568  26.412 1.00 59.48  ? 8   GLU B CB   1 
ATOM   415 C CG   . GLU B 1 8  ? 32.305 -6.027  25.270 1.00 58.28  ? 8   GLU B CG   1 
ATOM   416 C CD   . GLU B 1 8  ? 33.550 -6.883  24.991 1.00 59.06  ? 8   GLU B CD   1 
ATOM   417 O OE1  . GLU B 1 8  ? 33.961 -7.704  25.855 1.00 68.37  ? 8   GLU B OE1  1 
ATOM   418 O OE2  . GLU B 1 8  ? 34.109 -6.752  23.882 1.00 66.62  ? 8   GLU B OE2  1 
ATOM   419 H H    . GLU B 1 8  ? 28.910 -6.819  25.655 1.00 49.10  ? 8   GLU B H    1 
ATOM   420 H HA   . GLU B 1 8  ? 31.128 -8.367  25.496 1.00 64.73  ? 8   GLU B HA   1 
ATOM   421 H HB2  . GLU B 1 8  ? 30.885 -5.849  26.724 1.00 71.42  ? 8   GLU B HB2  1 
ATOM   422 H HB3  . GLU B 1 8  ? 32.057 -6.847  27.122 1.00 71.42  ? 8   GLU B HB3  1 
ATOM   423 H HG2  . GLU B 1 8  ? 31.769 -6.006  24.462 1.00 69.98  ? 8   GLU B HG2  1 
ATOM   424 H HG3  . GLU B 1 8  ? 32.602 -5.131  25.494 1.00 69.98  ? 8   GLU B HG3  1 
HETATM 425 N N    . ORN B 1 9  ? 26.712 -10.237 30.927 1.00 63.70  ? 9   ORN B N    1 
HETATM 426 C CA   . ORN B 1 9  ? 27.238 -9.426  29.786 1.00 62.52  ? 9   ORN B CA   1 
HETATM 427 C CB   . ORN B 1 9  ? 27.197 -10.200 28.429 1.00 61.57  ? 9   ORN B CB   1 
HETATM 428 C CG   . ORN B 1 9  ? 28.315 -11.237 28.196 1.00 63.52  ? 9   ORN B CG   1 
HETATM 429 C CD   . ORN B 1 9  ? 29.726 -10.660 28.363 1.00 54.09  ? 9   ORN B CD   1 
HETATM 430 N NE   . ORN B 1 9  ? 30.138 -9.858  27.220 1.00 48.39  ? 9   ORN B NE   1 
HETATM 431 C C    . ORN B 1 9  ? 26.383 -8.188  29.601 1.00 53.22  ? 9   ORN B C    1 
HETATM 432 O O    . ORN B 1 9  ? 25.191 -8.146  29.938 1.00 52.67  ? 9   ORN B O    1 
HETATM 433 H H    . ORN B 1 9  ? 26.511 -9.690  31.768 1.00 76.48  ? 9   ORN B H    1 
HETATM 434 H HA   . ORN B 1 9  ? 28.257 -9.171  30.089 1.00 75.06  ? 9   ORN B HA   1 
HETATM 435 H HB2  . ORN B 1 9  ? 27.269 -9.463  27.617 1.00 73.92  ? 9   ORN B HB2  1 
HETATM 436 H HB3  . ORN B 1 9  ? 26.242 -10.740 28.375 1.00 73.92  ? 9   ORN B HB3  1 
HETATM 437 H HG2  . ORN B 1 9  ? 28.184 -12.063 28.905 1.00 76.27  ? 9   ORN B HG2  1 
HETATM 438 H HG3  . ORN B 1 9  ? 28.216 -11.642 27.182 1.00 76.27  ? 9   ORN B HG3  1 
HETATM 439 H HD2  . ORN B 1 9  ? 29.741 -10.028 29.256 1.00 64.95  ? 9   ORN B HD2  1 
HETATM 440 H HD3  . ORN B 1 9  ? 30.430 -11.489 28.479 1.00 64.95  ? 9   ORN B HD3  1 
HETATM 441 H HE1  . ORN B 1 9  ? 30.507 -10.369 26.415 1.00 58.11  ? 9   ORN B HE1  1 
ATOM   442 N N    . ALA B 1 10 ? 27.020 -7.147  28.991 1.00 41.65  ? 10  ALA B N    1 
ATOM   443 C CA   . ALA B 1 10 ? 26.316 -5.934  28.724 1.00 34.97  ? 10  ALA B CA   1 
ATOM   444 C C    . ALA B 1 10 ? 26.604 -5.475  27.323 1.00 35.31  ? 10  ALA B C    1 
ATOM   445 O O    . ALA B 1 10 ? 27.577 -5.930  26.689 1.00 35.60  ? 10  ALA B O    1 
ATOM   446 C CB   . ALA B 1 10 ? 26.682 -4.834  29.719 1.00 45.10  ? 10  ALA B CB   1 
ATOM   447 H H    . ALA B 1 10 ? 27.842 -7.151  28.741 1.00 50.03  ? 10  ALA B H    1 
ATOM   448 H HA   . ALA B 1 10 ? 25.365 -6.100  28.823 1.00 42.01  ? 10  ALA B HA   1 
ATOM   449 H HB1  . ALA B 1 10 ? 26.156 -4.043  29.524 1.00 54.16  ? 10  ALA B HB1  1 
ATOM   450 H HB2  . ALA B 1 10 ? 26.490 -5.145  30.618 1.00 54.16  ? 10  ALA B HB2  1 
ATOM   451 H HB3  . ALA B 1 10 ? 27.627 -4.632  29.634 1.00 54.16  ? 10  ALA B HB3  1 
ATOM   452 N N    . ILE B 1 11 ? 25.739 -4.606  26.843 1.00 32.23  ? 11  ILE B N    1 
ATOM   453 C CA   . ILE B 1 11 ? 25.959 -3.917  25.578 1.00 31.10  ? 11  ILE B CA   1 
ATOM   454 C C    . ILE B 1 11 ? 26.632 -2.589  25.858 1.00 33.48  ? 11  ILE B C    1 
ATOM   455 O O    . ILE B 1 11 ? 26.281 -1.868  26.812 1.00 30.49  ? 11  ILE B O    1 
ATOM   456 C CB   . ILE B 1 11 ? 24.643 -3.716  24.818 1.00 33.40  ? 11  ILE B CB   1 
ATOM   457 C CG1  . ILE B 1 11 ? 24.142 -5.061  24.345 1.00 33.02  ? 11  ILE B CG1  1 
ATOM   458 C CG2  . ILE B 1 11 ? 24.850 -2.772  23.638 1.00 31.75  ? 11  ILE B CG2  1 
ATOM   459 C CD1  . ILE B 1 11 ? 22.689 -5.061  24.042 1.00 35.04  ? 11  ILE B CD1  1 
ATOM   460 H H    . ILE B 1 11 ? 25.004 -4.390  27.234 1.00 38.72  ? 11  ILE B H    1 
ATOM   461 H HA   . ILE B 1 11 ? 26.546 -4.456  25.025 1.00 37.37  ? 11  ILE B HA   1 
ATOM   462 H HB   . ILE B 1 11 ? 23.984 -3.317  25.408 1.00 40.12  ? 11  ILE B HB   1 
ATOM   463 H HG12 . ILE B 1 11 ? 24.617 -5.308  23.536 1.00 39.67  ? 11  ILE B HG12 1 
ATOM   464 H HG13 . ILE B 1 11 ? 24.304 -5.719  25.039 1.00 39.67  ? 11  ILE B HG13 1 
ATOM   465 H HG21 . ILE B 1 11 ? 24.096 -2.851  23.033 1.00 38.14  ? 11  ILE B HG21 1 
ATOM   466 H HG22 . ILE B 1 11 ? 24.914 -1.862  23.969 1.00 38.14  ? 11  ILE B HG22 1 
ATOM   467 H HG23 . ILE B 1 11 ? 25.670 -3.015  23.179 1.00 38.14  ? 11  ILE B HG23 1 
ATOM   468 H HD11 . ILE B 1 11 ? 22.415 -5.961  23.807 1.00 42.09  ? 11  ILE B HD11 1 
ATOM   469 H HD12 . ILE B 1 11 ? 22.202 -4.762  24.826 1.00 42.09  ? 11  ILE B HD12 1 
ATOM   470 H HD13 . ILE B 1 11 ? 22.521 -4.460  23.300 1.00 42.09  ? 11  ILE B HD13 1 
ATOM   471 N N    . ILE B 1 12 ? 27.617 -2.258  25.017 1.00 31.13  ? 12  ILE B N    1 
ATOM   472 C CA   . ILE B 1 12 ? 28.300 -0.981  25.088 1.00 30.82  ? 12  ILE B CA   1 
ATOM   473 C C    . ILE B 1 12 ? 28.178 -0.281  23.752 1.00 32.68  ? 12  ILE B C    1 
ATOM   474 O O    . ILE B 1 12 ? 28.447 -0.875  22.707 1.00 30.40  ? 12  ILE B O    1 
ATOM   475 C CB   . ILE B 1 12 ? 29.781 -1.138  25.446 1.00 36.36  ? 12  ILE B CB   1 
ATOM   476 C CG1  . ILE B 1 12 ? 29.922 -2.049  26.660 1.00 50.42  ? 12  ILE B CG1  1 
ATOM   477 C CG2  . ILE B 1 12 ? 30.367 0.230   25.675 1.00 34.39  ? 12  ILE B CG2  1 
ATOM   478 C CD1  . ILE B 1 12 ? 29.961 -1.351  27.985 1.00 63.73  ? 12  ILE B CD1  1 
ATOM   479 H H    . ILE B 1 12 ? 27.906 -2.772  24.390 1.00 37.39  ? 12  ILE B H    1 
ATOM   480 H HA   . ILE B 1 12 ? 27.862 -0.444  25.767 1.00 37.03  ? 12  ILE B HA   1 
ATOM   481 H HB   . ILE B 1 12 ? 30.270 -1.557  24.721 1.00 43.67  ? 12  ILE B HB   1 
ATOM   482 H HG12 . ILE B 1 12 ? 29.166 -2.657  26.675 1.00 60.55  ? 12  ILE B HG12 1 
ATOM   483 H HG13 . ILE B 1 12 ? 30.748 -2.550  26.572 1.00 60.55  ? 12  ILE B HG13 1 
ATOM   484 H HG21 . ILE B 1 12 ? 31.306 0.138   25.903 1.00 41.31  ? 12  ILE B HG21 1 
ATOM   485 H HG22 . ILE B 1 12 ? 30.273 0.754   24.864 1.00 41.31  ? 12  ILE B HG22 1 
ATOM   486 H HG23 . ILE B 1 12 ? 29.891 0.659   26.403 1.00 41.31  ? 12  ILE B HG23 1 
ATOM   487 H HD11 . ILE B 1 12 ? 30.052 -2.012  28.689 1.00 76.52  ? 12  ILE B HD11 1 
ATOM   488 H HD12 . ILE B 1 12 ? 30.719 -0.745  28.001 1.00 76.52  ? 12  ILE B HD12 1 
ATOM   489 H HD13 . ILE B 1 12 ? 29.138 -0.852  28.104 1.00 76.52  ? 12  ILE B HD13 1 
ATOM   490 N N    . GLY B 1 13 ? 27.819 1.005   23.799 1.00 29.64  ? 13  GLY B N    1 
ATOM   491 C CA   . GLY B 1 13 ? 27.706 1.820   22.597 1.00 28.95  ? 13  GLY B CA   1 
ATOM   492 C C    . GLY B 1 13 ? 28.660 2.968   22.651 1.00 28.79  ? 13  GLY B C    1 
ATOM   493 O O    . GLY B 1 13 ? 28.693 3.778   23.600 1.00 31.98  ? 13  GLY B O    1 
ATOM   494 H H    . GLY B 1 13 ? 27.634 1.430   24.524 1.00 35.61  ? 13  GLY B H    1 
ATOM   495 H HA2  . GLY B 1 13 ? 27.908 1.281   21.816 1.00 34.78  ? 13  GLY B HA2  1 
ATOM   496 H HA3  . GLY B 1 13 ? 26.803 2.166   22.518 1.00 34.78  ? 13  GLY B HA3  1 
ATOM   497 N N    . LEU B 1 14 ? 29.543 3.067   21.660 1.00 29.85  ? 14  LEU B N    1 
ATOM   498 C CA   . LEU B 1 14 ? 30.576 4.071   21.678 1.00 30.81  ? 14  LEU B CA   1 
ATOM   499 C C    . LEU B 1 14 ? 30.417 5.000   20.498 1.00 31.37  ? 14  LEU B C    1 
ATOM   500 O O    . LEU B 1 14 ? 30.004 4.562   19.410 1.00 32.77  ? 14  LEU B O    1 
ATOM   501 C CB   . LEU B 1 14 ? 31.975 3.455   21.666 1.00 36.00  ? 14  LEU B CB   1 
ATOM   502 C CG   . LEU B 1 14 ? 32.234 2.591   22.913 1.00 32.82  ? 14  LEU B CG   1 
ATOM   503 C CD1  . LEU B 1 14 ? 33.480 1.775   22.685 1.00 37.69  ? 14  LEU B CD1  1 
ATOM   504 C CD2  . LEU B 1 14 ? 32.319 3.444   24.125 1.00 45.15  ? 14  LEU B CD2  1 
ATOM   505 H H    . LEU B 1 14 ? 29.556 2.557   20.968 1.00 35.86  ? 14  LEU B H    1 
ATOM   506 H HA   . LEU B 1 14 ? 30.486 4.592   22.492 1.00 37.01  ? 14  LEU B HA   1 
ATOM   507 H HB2  . LEU B 1 14 ? 32.068 2.893   20.881 1.00 43.25  ? 14  LEU B HB2  1 
ATOM   508 H HB3  . LEU B 1 14 ? 32.635 4.166   21.645 1.00 43.25  ? 14  LEU B HB3  1 
ATOM   509 H HG   . LEU B 1 14 ? 31.501 1.975   23.070 1.00 39.43  ? 14  LEU B HG   1 
ATOM   510 H HD11 . LEU B 1 14 ? 33.629 1.204   23.455 1.00 45.27  ? 14  LEU B HD11 1 
ATOM   511 H HD12 . LEU B 1 14 ? 33.363 1.234   21.889 1.00 45.27  ? 14  LEU B HD12 1 
ATOM   512 H HD13 . LEU B 1 14 ? 34.233 2.375   22.569 1.00 45.27  ? 14  LEU B HD13 1 
ATOM   513 H HD21 . LEU B 1 14 ? 32.574 2.894   24.882 1.00 54.22  ? 14  LEU B HD21 1 
ATOM   514 H HD22 . LEU B 1 14 ? 32.985 4.135   23.979 1.00 54.22  ? 14  LEU B HD22 1 
ATOM   515 H HD23 . LEU B 1 14 ? 31.453 3.849   24.288 1.00 54.22  ? 14  LEU B HD23 1 
ATOM   516 N N    . MET B 1 15 ? 30.671 6.286   20.746 1.00 38.13  ? 15  MET B N    1 
ATOM   517 C CA   . MET B 1 15 ? 30.484 7.331   19.730 1.00 34.57  ? 15  MET B CA   1 
ATOM   518 C C    . MET B 1 15 ? 31.729 7.435   18.885 1.00 36.92  ? 15  MET B C    1 
ATOM   519 O O    . MET B 1 15 ? 32.866 7.476   19.395 1.00 39.17  ? 15  MET B O    1 
ATOM   520 C CB   . MET B 1 15 ? 30.188 8.701   20.340 1.00 42.52  ? 15  MET B CB   1 
ATOM   521 C CG   . MET B 1 15 ? 29.190 8.732   21.454 1.00 58.90  ? 15  MET B CG   1 
ATOM   522 S SD   . MET B 1 15 ? 28.523 10.385  21.783 1.00 69.34  ? 15  MET B SD   1 
ATOM   523 C CE   . MET B 1 15 ? 28.357 11.083  20.161 1.00 50.54  ? 15  MET B CE   1 
ATOM   524 H H    . MET B 1 15 ? 30.955 6.584   21.501 1.00 45.80  ? 15  MET B H    1 
ATOM   525 H HA   . MET B 1 15 ? 29.710 7.093   19.196 1.00 41.53  ? 15  MET B HA   1 
ATOM   526 H HB2  . MET B 1 15 ? 31.018 9.060   20.692 1.00 51.07  ? 15  MET B HB2  1 
ATOM   527 H HB3  . MET B 1 15 ? 29.849 9.277   19.638 1.00 51.07  ? 15  MET B HB3  1 
ATOM   528 H HG2  . MET B 1 15 ? 28.447 8.153   21.224 1.00 70.72  ? 15  MET B HG2  1 
ATOM   529 H HG3  . MET B 1 15 ? 29.617 8.418   22.266 1.00 70.72  ? 15  MET B HG3  1 
ATOM   530 H HE1  . MET B 1 15 ? 27.772 11.856  20.208 1.00 60.69  ? 15  MET B HE1  1 
ATOM   531 H HE2  . MET B 1 15 ? 29.233 11.349  19.841 1.00 60.69  ? 15  MET B HE2  1 
ATOM   532 H HE3  . MET B 1 15 ? 27.976 10.416  19.568 1.00 60.69  ? 15  MET B HE3  1 
ATOM   533 N N    . VAL B 1 16 ? 31.488 7.578   17.596 1.00 40.49  ? 16  VAL B N    1 
ATOM   534 C CA   . VAL B 1 16 ? 32.527 7.772   16.561 1.00 42.19  ? 16  VAL B CA   1 
ATOM   535 C C    . VAL B 1 16 ? 32.249 9.122   15.908 1.00 51.16  ? 16  VAL B C    1 
ATOM   536 O O    . VAL B 1 16 ? 32.349 9.263   14.700 1.00 64.72  ? 16  VAL B O    1 
ATOM   537 C CB   . VAL B 1 16 ? 32.496 6.573   15.589 1.00 43.42  ? 16  VAL B CB   1 
ATOM   538 C CG1  . VAL B 1 16 ? 33.251 6.828   14.286 1.00 54.51  ? 16  VAL B CG1  1 
ATOM   539 C CG2  . VAL B 1 16 ? 33.015 5.343   16.341 1.00 44.78  ? 16  VAL B CG2  1 
ATOM   540 H H    . VAL B 1 16 ? 30.695 7.580   17.270 1.00 48.63  ? 16  VAL B H    1 
ATOM   541 H HA   . VAL B 1 16 ? 33.431 7.801   16.913 1.00 50.67  ? 16  VAL B HA   1 
ATOM   542 H HB   . VAL B 1 16 ? 31.584 6.416   15.298 1.00 52.15  ? 16  VAL B HB   1 
ATOM   543 H HG11 . VAL B 1 16 ? 33.263 6.012   13.763 1.00 65.46  ? 16  VAL B HG11 1 
ATOM   544 H HG12 . VAL B 1 16 ? 32.801 7.531   13.793 1.00 65.46  ? 16  VAL B HG12 1 
ATOM   545 H HG13 . VAL B 1 16 ? 34.159 7.100   14.496 1.00 65.46  ? 16  VAL B HG13 1 
ATOM   546 H HG21 . VAL B 1 16 ? 33.047 4.590   15.730 1.00 53.78  ? 16  VAL B HG21 1 
ATOM   547 H HG22 . VAL B 1 16 ? 33.904 5.532   16.680 1.00 53.78  ? 16  VAL B HG22 1 
ATOM   548 H HG23 . VAL B 1 16 ? 32.415 5.147   17.077 1.00 53.78  ? 16  VAL B HG23 1 
HETATM 549 N N    . ORN C 1 1  ? 16.731 -3.871  5.553  1.00 37.83  ? 1   ORN C N    1 
HETATM 550 C CA   . ORN C 1 1  ? 17.680 -2.708  5.327  1.00 36.05  ? 1   ORN C CA   1 
HETATM 551 C CB   . ORN C 1 1  ? 16.973 -1.355  5.319  1.00 36.41  ? 1   ORN C CB   1 
HETATM 552 C CG   . ORN C 1 1  ? 16.318 -1.069  3.945  1.00 45.69  ? 1   ORN C CG   1 
HETATM 553 C CD   . ORN C 1 1  ? 17.345 -0.676  2.894  1.00 40.63  ? 1   ORN C CD   1 
HETATM 554 N NE   . ORN C 1 1  ? 18.034 0.490   3.274  1.00 44.85  ? 1   ORN C NE   1 
HETATM 555 C C    . ORN C 1 1  ? 18.668 -2.685  6.500  1.00 35.05  ? 1   ORN C C    1 
HETATM 556 O O    . ORN C 1 1  ? 18.375 -3.110  7.609  1.00 33.45  ? 1   ORN C O    1 
HETATM 557 H H1   . ORN C 1 1  ? 16.041 -3.708  6.290  1.00 45.44  ? 1   ORN C H1   1 
HETATM 558 H H2   . ORN C 1 1  ? 17.196 -4.741  5.822  1.00 45.44  ? 1   ORN C H2   1 
HETATM 559 H H3   . ORN C 1 1  ? 16.176 -4.120  4.730  1.00 45.44  ? 1   ORN C H3   1 
HETATM 560 H HA   . ORN C 1 1  ? 18.165 -2.906  4.367  1.00 43.30  ? 1   ORN C HA   1 
HETATM 561 H HB2  . ORN C 1 1  ? 17.706 -0.562  5.523  1.00 43.74  ? 1   ORN C HB2  1 
HETATM 562 H HB3  . ORN C 1 1  ? 16.184 -1.355  6.084  1.00 43.74  ? 1   ORN C HB3  1 
HETATM 563 H HG2  . ORN C 1 1  ? 15.588 -0.259  4.056  1.00 54.87  ? 1   ORN C HG2  1 
HETATM 564 H HG3  . ORN C 1 1  ? 15.783 -1.964  3.609  1.00 54.87  ? 1   ORN C HG3  1 
HETATM 565 H HD2  . ORN C 1 1  ? 18.064 -1.492  2.778  1.00 48.80  ? 1   ORN C HD2  1 
HETATM 566 H HD3  . ORN C 1 1  ? 16.830 -0.493  1.946  1.00 48.80  ? 1   ORN C HD3  1 
HETATM 567 H HE1  . ORN C 1 1  ? 17.481 1.361   3.252  1.00 53.87  ? 1   ORN C HE1  1 
ATOM   568 N N    . LYS C 1 2  ? 19.885 -2.129  6.249  1.00 39.04  ? 2   LYS C N    1 
ATOM   569 C CA   . LYS C 1 2  ? 20.865 -2.018  7.306  1.00 34.44  ? 2   LYS C CA   1 
ATOM   570 C C    . LYS C 1 2  ? 20.484 -0.772  8.142  1.00 35.47  ? 2   LYS C C    1 
ATOM   571 O O    . LYS C 1 2  ? 19.971 0.227   7.633  1.00 36.09  ? 2   LYS C O    1 
ATOM   572 C CB   . LYS C 1 2  ? 22.267 -1.929  6.737  1.00 46.84  ? 2   LYS C CB   1 
ATOM   573 C CG   . LYS C 1 2  ? 23.341 -1.740  7.777  1.00 53.23  ? 2   LYS C CG   1 
ATOM   574 C CD   . LYS C 1 2  ? 24.601 -2.536  7.410  1.00 62.59  ? 2   LYS C CD   1 
ATOM   575 C CE   . LYS C 1 2  ? 25.594 -2.541  8.567  1.00 92.40  ? 2   LYS C CE   1 
ATOM   576 N NZ   . LYS C 1 2  ? 25.631 -1.227  9.316  1.00 78.69  ? 2   LYS C NZ   1 
ATOM   577 H H    . LYS C 1 2  ? 20.139 -1.824  5.487  1.00 46.89  ? 2   LYS C H    1 
ATOM   578 H HA   . LYS C 1 2  ? 20.879 -2.800  7.879  1.00 41.37  ? 2   LYS C HA   1 
ATOM   579 H HB2  . LYS C 1 2  ? 22.460 -2.750  6.259  1.00 56.25  ? 2   LYS C HB2  1 
ATOM   580 H HB3  . LYS C 1 2  ? 22.308 -1.173  6.130  1.00 56.25  ? 2   LYS C HB3  1 
ATOM   581 H HG2  . LYS C 1 2  ? 23.576 -0.801  7.834  1.00 63.92  ? 2   LYS C HG2  1 
ATOM   582 H HG3  . LYS C 1 2  ? 23.019 -2.054  8.637  1.00 63.92  ? 2   LYS C HG3  1 
ATOM   583 H HD2  . LYS C 1 2  ? 24.358 -3.453  7.209  1.00 75.15  ? 2   LYS C HD2  1 
ATOM   584 H HD3  . LYS C 1 2  ? 25.028 -2.129  6.640  1.00 75.15  ? 2   LYS C HD3  1 
ATOM   585 H HE2  . LYS C 1 2  ? 25.343 -3.236  9.196  1.00 110.93 ? 2   LYS C HE2  1 
ATOM   586 H HE3  . LYS C 1 2  ? 26.483 -2.713  8.220  1.00 110.93 ? 2   LYS C HE3  1 
ATOM   587 H HZ1  . LYS C 1 2  ? 26.215 -1.275  9.986  1.00 94.47  ? 2   LYS C HZ1  1 
ATOM   588 H HZ2  . LYS C 1 2  ? 25.875 -0.571  8.766  1.00 94.47  ? 2   LYS C HZ2  1 
ATOM   589 H HZ3  . LYS C 1 2  ? 24.826 -1.042  9.647  1.00 94.47  ? 2   LYS C HZ3  1 
ATOM   590 N N    . LEU C 1 3  ? 20.678 -0.841  9.456  1.00 32.00  ? 3   LEU C N    1 
ATOM   591 C CA   . LEU C 1 3  ? 20.368 0.201   10.396 1.00 29.15  ? 3   LEU C CA   1 
ATOM   592 C C    . LEU C 1 3  ? 21.649 0.831   10.921 1.00 36.54  ? 3   LEU C C    1 
ATOM   593 O O    . LEU C 1 3  ? 22.560 0.127   11.356 1.00 37.61  ? 3   LEU C O    1 
ATOM   594 C CB   . LEU C 1 3  ? 19.600 -0.357  11.597 1.00 32.33  ? 3   LEU C CB   1 
ATOM   595 C CG   . LEU C 1 3  ? 18.224 0.128   11.865 1.00 44.19  ? 3   LEU C CG   1 
ATOM   596 C CD1  . LEU C 1 3  ? 17.785 -0.561  13.169 1.00 35.29  ? 3   LEU C CD1  1 
ATOM   597 C CD2  . LEU C 1 3  ? 18.123 1.644   11.974 1.00 38.83  ? 3   LEU C CD2  1 
ATOM   598 H H    . LEU C 1 3  ? 21.011 -1.534  9.841  1.00 38.44  ? 3   LEU C H    1 
ATOM   599 H HA   . LEU C 1 3  ? 19.838 0.873   9.940  1.00 35.02  ? 3   LEU C HA   1 
ATOM   600 H HB2  . LEU C 1 3  ? 19.533 -1.318  11.477 1.00 38.83  ? 3   LEU C HB2  1 
ATOM   601 H HB3  . LEU C 1 3  ? 20.120 -0.158  12.391 1.00 38.83  ? 3   LEU C HB3  1 
ATOM   602 H HG   . LEU C 1 3  ? 17.636 -0.091  11.126 1.00 53.07  ? 3   LEU C HG   1 
ATOM   603 H HD11 . LEU C 1 3  ? 16.908 -0.231  13.421 1.00 42.39  ? 3   LEU C HD11 1 
ATOM   604 H HD12 . LEU C 1 3  ? 17.747 -1.519  13.023 1.00 42.39  ? 3   LEU C HD12 1 
ATOM   605 H HD13 . LEU C 1 3  ? 18.428 -0.357  13.866 1.00 42.39  ? 3   LEU C HD13 1 
ATOM   606 H HD21 . LEU C 1 3  ? 17.241 1.879   12.304 1.00 46.64  ? 3   LEU C HD21 1 
ATOM   607 H HD22 . LEU C 1 3  ? 18.802 1.963   12.589 1.00 46.64  ? 3   LEU C HD22 1 
ATOM   608 H HD23 . LEU C 1 3  ? 18.262 2.033   11.097 1.00 46.64  ? 3   LEU C HD23 1 
ATOM   609 N N    . VAL C 1 4  ? 21.695 2.173   10.899 1.00 37.43  ? 4   VAL C N    1 
ATOM   610 C CA   . VAL C 1 4  ? 22.837 2.909   11.434 1.00 38.73  ? 4   VAL C CA   1 
ATOM   611 C C    . VAL C 1 4  ? 22.370 3.851   12.530 1.00 34.38  ? 4   VAL C C    1 
ATOM   612 O O    . VAL C 1 4  ? 21.424 4.591   12.274 1.00 33.44  ? 4   VAL C O    1 
ATOM   613 C CB   . VAL C 1 4  ? 23.498 3.716   10.341 1.00 38.73  ? 4   VAL C CB   1 
ATOM   614 C CG1  . VAL C 1 4  ? 24.815 4.230   10.835 1.00 41.01  ? 4   VAL C CG1  1 
ATOM   615 C CG2  . VAL C 1 4  ? 23.659 2.881   9.093  1.00 48.76  ? 4   VAL C CG2  1 
ATOM   616 H H    . VAL C 1 4  ? 21.074 2.675   10.578 1.00 44.96  ? 4   VAL C H    1 
ATOM   617 H HA   . VAL C 1 4  ? 23.477 2.279   11.799 1.00 46.52  ? 4   VAL C HA   1 
ATOM   618 H HB   . VAL C 1 4  ? 22.944 4.477   10.105 1.00 46.52  ? 4   VAL C HB   1 
ATOM   619 H HG11 . VAL C 1 4  ? 25.266 4.691   10.110 1.00 49.26  ? 4   VAL C HG11 1 
ATOM   620 H HG12 . VAL C 1 4  ? 24.659 4.843   11.570 1.00 49.26  ? 4   VAL C HG12 1 
ATOM   621 H HG13 . VAL C 1 4  ? 25.353 3.482   11.137 1.00 49.26  ? 4   VAL C HG13 1 
ATOM   622 H HG21 . VAL C 1 4  ? 24.302 3.310   8.506  1.00 58.56  ? 4   VAL C HG21 1 
ATOM   623 H HG22 . VAL C 1 4  ? 23.976 1.999   9.342  1.00 58.56  ? 4   VAL C HG22 1 
ATOM   624 H HG23 . VAL C 1 4  ? 22.801 2.810   8.647  1.00 58.56  ? 4   VAL C HG23 1 
HETATM 625 N N    . H7V C 1 5  ? 23.002 3.873   13.703 1.00 33.76  ? 5   H7V C N    1 
HETATM 626 C CA   . H7V C 1 5  ? 22.663 4.883   14.716 1.00 32.20  ? 5   H7V C CA   1 
HETATM 627 C C    . H7V C 1 5  ? 23.480 5.951   14.870 1.00 30.16  ? 5   H7V C C    1 
HETATM 628 O O    . H7V C 1 5  ? 24.662 5.850   14.763 1.00 33.19  ? 5   H7V C O    1 
HETATM 629 C CB   . H7V C 1 5  ? 22.378 4.292   16.111 1.00 34.12  ? 5   H7V C CB   1 
HETATM 630 C C01  . H7V C 1 5  ? 21.006 3.687   16.356 1.00 38.93  ? 5   H7V C C01  1 
HETATM 631 C C02  . H7V C 1 5  ? 20.630 2.598   15.388 1.00 44.87  ? 5   H7V C C02  1 
HETATM 632 C C03  . H7V C 1 5  ? 19.154 2.255   15.691 1.00 37.77  ? 5   H7V C C03  1 
HETATM 633 C C04  . H7V C 1 5  ? 18.953 1.611   17.065 1.00 46.18  ? 5   H7V C C04  1 
HETATM 634 C C05  . H7V C 1 5  ? 19.566 2.486   18.157 1.00 50.43  ? 5   H7V C C05  1 
HETATM 635 C C06  . H7V C 1 5  ? 20.984 2.998   17.743 1.00 43.25  ? 5   H7V C C06  1 
HETATM 636 C C07  . H7V C 1 5  ? 24.226 3.127   14.002 1.00 43.78  ? 5   H7V C C07  1 
HETATM 637 H HA   . H7V C 1 5  ? 21.863 5.250   14.307 1.00 38.69  ? 5   H7V C HA   1 
HETATM 638 H HB2  . H7V C 1 5  ? 23.034 3.596   16.270 1.00 40.99  ? 5   H7V C HB2  1 
HETATM 639 H HB1  . H7V C 1 5  ? 22.500 5.004   16.758 1.00 40.99  ? 5   H7V C HB1  1 
HETATM 640 H H07  . H7V C 1 5  ? 20.389 4.430   16.268 1.00 46.76  ? 5   H7V C H07  1 
HETATM 641 H H09  . H7V C 1 5  ? 20.723 2.911   14.475 1.00 53.89  ? 5   H7V C H09  1 
HETATM 642 H H10  . H7V C 1 5  ? 21.191 1.818   15.521 1.00 53.89  ? 5   H7V C H10  1 
HETATM 643 H H11  . H7V C 1 5  ? 18.835 1.639   15.012 1.00 45.37  ? 5   H7V C H11  1 
HETATM 644 H H12  . H7V C 1 5  ? 18.634 3.073   15.655 1.00 45.37  ? 5   H7V C H12  1 
HETATM 645 H H14  . H7V C 1 5  ? 19.381 0.740   17.075 1.00 55.46  ? 5   H7V C H14  1 
HETATM 646 H H13  . H7V C 1 5  ? 18.004 1.507   17.234 1.00 55.46  ? 5   H7V C H13  1 
HETATM 647 H H16  . H7V C 1 5  ? 19.644 1.967   18.972 1.00 60.56  ? 5   H7V C H16  1 
HETATM 648 H H15  . H7V C 1 5  ? 18.988 3.250   18.312 1.00 60.56  ? 5   H7V C H15  1 
HETATM 649 H H17  . H7V C 1 5  ? 21.588 2.240   17.718 1.00 51.94  ? 5   H7V C H17  1 
HETATM 650 H H18  . H7V C 1 5  ? 21.285 3.638   18.407 1.00 51.94  ? 5   H7V C H18  1 
HETATM 651 H H04  . H7V C 1 5  ? 23.997 2.220   14.259 1.00 52.58  ? 5   H7V C H04  1 
HETATM 652 H H03  . H7V C 1 5  ? 24.700 3.559   14.729 1.00 52.58  ? 5   H7V C H03  1 
HETATM 653 H H02  . H7V C 1 5  ? 24.792 3.106   13.215 1.00 52.58  ? 5   H7V C H02  1 
ATOM   654 N N    . PHE C 1 6  ? 22.881 7.128   15.103 1.00 28.70  ? 6   PHE C N    1 
ATOM   655 C CA   . PHE C 1 6  ? 23.650 8.387   15.234 1.00 30.32  ? 6   PHE C CA   1 
ATOM   656 C C    . PHE C 1 6  ? 23.228 9.078   16.519 1.00 33.09  ? 6   PHE C C    1 
ATOM   657 O O    . PHE C 1 6  ? 22.055 9.112   16.829 1.00 32.41  ? 6   PHE C O    1 
ATOM   658 C CB   . PHE C 1 6  ? 23.329 9.349   14.108 1.00 32.78  ? 6   PHE C CB   1 
ATOM   659 C CG   . PHE C 1 6  ? 23.942 9.025   12.825 1.00 45.04  ? 6   PHE C CG   1 
ATOM   660 C CD1  . PHE C 1 6  ? 23.291 8.185   11.919 1.00 41.26  ? 6   PHE C CD1  1 
ATOM   661 C CD2  . PHE C 1 6  ? 25.161 9.595   12.475 1.00 42.98  ? 6   PHE C CD2  1 
ATOM   662 C CE1  . PHE C 1 6  ? 23.874 7.883   10.696 1.00 46.10  ? 6   PHE C CE1  1 
ATOM   663 C CE2  . PHE C 1 6  ? 25.750 9.306   11.264 1.00 59.17  ? 6   PHE C CE2  1 
ATOM   664 C CZ   . PHE C 1 6  ? 25.116 8.449   10.369 1.00 51.29  ? 6   PHE C CZ   1 
ATOM   665 H H    . PHE C 1 6  ? 22.032 7.229   15.191 1.00 34.49  ? 6   PHE C H    1 
ATOM   666 H HA   . PHE C 1 6  ? 24.598 8.180   15.217 1.00 36.43  ? 6   PHE C HA   1 
ATOM   667 H HB2  . PHE C 1 6  ? 22.368 9.358   13.977 1.00 39.38  ? 6   PHE C HB2  1 
ATOM   668 H HB3  . PHE C 1 6  ? 23.638 10.233  14.362 1.00 39.38  ? 6   PHE C HB3  1 
ATOM   669 H HD1  . PHE C 1 6  ? 22.462 7.825   12.137 1.00 49.56  ? 6   PHE C HD1  1 
ATOM   670 H HD2  . PHE C 1 6  ? 25.583 10.177  13.064 1.00 51.62  ? 6   PHE C HD2  1 
ATOM   671 H HE1  . PHE C 1 6  ? 23.447 7.312   10.099 1.00 55.36  ? 6   PHE C HE1  1 
ATOM   672 H HE2  . PHE C 1 6  ? 26.571 9.684   11.044 1.00 71.05  ? 6   PHE C HE2  1 
ATOM   673 H HZ   . PHE C 1 6  ? 25.516 8.250   9.553  1.00 61.59  ? 6   PHE C HZ   1 
ATOM   674 N N    . ALA C 1 7  ? 24.145 9.702   17.229 1.00 34.75  ? 7   ALA C N    1 
ATOM   675 C CA   . ALA C 1 7  ? 23.798 10.569  18.341 1.00 35.43  ? 7   ALA C CA   1 
ATOM   676 C C    . ALA C 1 7  ? 23.840 12.028  17.881 1.00 32.47  ? 7   ALA C C    1 
ATOM   677 O O    . ALA C 1 7  ? 24.859 12.506  17.372 1.00 36.76  ? 7   ALA C O    1 
ATOM   678 C CB   . ALA C 1 7  ? 24.766 10.362  19.500 1.00 43.72  ? 7   ALA C CB   1 
ATOM   679 H H    . ALA C 1 7  ? 24.991 9.640   17.086 1.00 41.75  ? 7   ALA C H    1 
ATOM   680 H HA   . ALA C 1 7  ? 22.899 10.366  18.645 1.00 42.56  ? 7   ALA C HA   1 
ATOM   681 H HB1  . ALA C 1 7  ? 24.532 10.970  20.219 1.00 52.50  ? 7   ALA C HB1  1 
ATOM   682 H HB2  . ALA C 1 7  ? 24.698 9.444   19.808 1.00 52.50  ? 7   ALA C HB2  1 
ATOM   683 H HB3  . ALA C 1 7  ? 25.668 10.542  19.194 1.00 52.50  ? 7   ALA C HB3  1 
ATOM   684 N N    . GLU C 1 8  ? 22.741 12.731  18.097 1.00 35.41  ? 8   GLU C N    1 
ATOM   685 C CA   . GLU C 1 8  ? 22.622 14.118  17.714 1.00 35.79  ? 8   GLU C CA   1 
ATOM   686 C C    . GLU C 1 8  ? 22.083 14.894  18.916 1.00 42.62  ? 8   GLU C C    1 
ATOM   687 O O    . GLU C 1 8  ? 20.879 15.011  19.097 1.00 43.21  ? 8   GLU C O    1 
ATOM   688 C CB   . GLU C 1 8  ? 21.694 14.230  16.508 1.00 47.28  ? 8   GLU C CB   1 
ATOM   689 C CG   . GLU C 1 8  ? 22.343 14.747  15.221 1.00 64.87  ? 8   GLU C CG   1 
ATOM   690 C CD   . GLU C 1 8  ? 23.135 16.019  15.414 1.00 54.22  ? 8   GLU C CD   1 
ATOM   691 O OE1  . GLU C 1 8  ? 22.525 17.081  15.734 1.00 71.24  ? 8   GLU C OE1  1 
ATOM   692 O OE2  . GLU C 1 8  ? 24.382 15.969  15.212 1.00 70.69  ? 8   GLU C OE2  1 
ATOM   693 H H    . GLU C 1 8  ? 22.034 12.417  18.474 1.00 42.54  ? 8   GLU C H    1 
ATOM   694 H HA   . GLU C 1 8  ? 23.473 14.504  17.452 1.00 42.99  ? 8   GLU C HA   1 
ATOM   695 H HB2  . GLU C 1 8  ? 21.336 13.349  16.316 1.00 56.77  ? 8   GLU C HB2  1 
ATOM   696 H HB3  . GLU C 1 8  ? 20.974 14.839  16.732 1.00 56.77  ? 8   GLU C HB3  1 
ATOM   697 H HG2  . GLU C 1 8  ? 22.948 14.069  14.881 1.00 77.88  ? 8   GLU C HG2  1 
ATOM   698 H HG3  . GLU C 1 8  ? 21.647 14.927  14.570 1.00 77.88  ? 8   GLU C HG3  1 
HETATM 699 N N    . ORN C 1 9  ? 19.959 15.284  24.039 1.00 60.46  ? 9   ORN C N    1 
HETATM 700 C CA   . ORN C 1 9  ? 20.358 14.789  22.671 1.00 49.09  ? 9   ORN C CA   1 
HETATM 701 C CB   . ORN C 1 9  ? 21.829 14.368  22.606 1.00 44.39  ? 9   ORN C CB   1 
HETATM 702 C CG   . ORN C 1 9  ? 22.837 15.470  22.270 1.00 55.72  ? 9   ORN C CG   1 
HETATM 703 C CD   . ORN C 1 9  ? 22.536 16.179  20.947 1.00 63.60  ? 9   ORN C CD   1 
HETATM 704 N NE   . ORN C 1 9  ? 23.000 15.416  19.788 1.00 47.57  ? 9   ORN C NE   1 
HETATM 705 C C    . ORN C 1 9  ? 19.532 13.574  22.367 1.00 45.16  ? 9   ORN C C    1 
HETATM 706 O O    . ORN C 1 9  ? 19.050 12.878  23.263 1.00 52.45  ? 9   ORN C O    1 
HETATM 707 H H    . ORN C 1 9  ? 18.948 15.376  24.170 1.00 72.59  ? 9   ORN C H    1 
HETATM 708 H HA   . ORN C 1 9  ? 20.151 15.613  21.981 1.00 58.95  ? 9   ORN C HA   1 
HETATM 709 H HB2  . ORN C 1 9  ? 21.927 13.596  21.830 1.00 53.32  ? 9   ORN C HB2  1 
HETATM 710 H HB3  . ORN C 1 9  ? 22.110 13.964  23.588 1.00 53.32  ? 9   ORN C HB3  1 
HETATM 711 H HG2  . ORN C 1 9  ? 23.839 15.029  22.216 1.00 66.91  ? 9   ORN C HG2  1 
HETATM 712 H HG3  . ORN C 1 9  ? 22.836 16.210  23.078 1.00 66.91  ? 9   ORN C HG3  1 
HETATM 713 H HD2  . ORN C 1 9  ? 23.039 17.151  20.950 1.00 76.36  ? 9   ORN C HD2  1 
HETATM 714 H HD3  . ORN C 1 9  ? 21.454 16.318  20.864 1.00 76.36  ? 9   ORN C HD3  1 
HETATM 715 H HE1  . ORN C 1 9  ? 24.000 15.328  19.665 1.00 57.13  ? 9   ORN C HE1  1 
ATOM   716 N N    . ALA C 1 10 ? 19.379 13.281  21.040 1.00 41.59  ? 10  ALA C N    1 
ATOM   717 C CA   . ALA C 1 10 ? 18.591 12.140  20.622 1.00 34.68  ? 10  ALA C CA   1 
ATOM   718 C C    . ALA C 1 10 ? 19.444 11.212  19.807 1.00 37.68  ? 10  ALA C C    1 
ATOM   719 O O    . ALA C 1 10 ? 20.503 11.584  19.290 1.00 34.51  ? 10  ALA C O    1 
ATOM   720 C CB   . ALA C 1 10 ? 17.405 12.562  19.837 1.00 35.52  ? 10  ALA C CB   1 
ATOM   721 H H    . ALA C 1 10 ? 19.724 13.733  20.395 1.00 49.95  ? 10  ALA C H    1 
ATOM   722 H HA   . ALA C 1 10 ? 18.262 11.676  21.408 1.00 41.66  ? 10  ALA C HA   1 
ATOM   723 H HB1  . ALA C 1 10 ? 16.907 11.773  19.569 1.00 42.66  ? 10  ALA C HB1  1 
ATOM   724 H HB2  . ALA C 1 10 ? 16.848 13.134  20.388 1.00 42.66  ? 10  ALA C HB2  1 
ATOM   725 H HB3  . ALA C 1 10 ? 17.703 13.047  19.051 1.00 42.66  ? 10  ALA C HB3  1 
ATOM   726 N N    . ILE C 1 11 ? 19.004 9.969   19.770 1.00 31.99  ? 11  ILE C N    1 
ATOM   727 C CA   . ILE C 1 11 ? 19.550 8.938   18.912 1.00 30.10  ? 11  ILE C CA   1 
ATOM   728 C C    . ILE C 1 11 ? 18.647 8.850   17.706 1.00 28.64  ? 11  ILE C C    1 
ATOM   729 O O    . ILE C 1 11 ? 17.416 8.875   17.822 1.00 28.34  ? 11  ILE C O    1 
ATOM   730 C CB   . ILE C 1 11 ? 19.627 7.581   19.642 1.00 27.82  ? 11  ILE C CB   1 
ATOM   731 C CG1  . ILE C 1 11 ? 20.546 7.673   20.854 1.00 36.54  ? 11  ILE C CG1  1 
ATOM   732 C CG2  . ILE C 1 11 ? 20.030 6.459   18.674 1.00 36.83  ? 11  ILE C CG2  1 
ATOM   733 C CD1  . ILE C 1 11 ? 20.610 6.357   21.616 1.00 41.95  ? 11  ILE C CD1  1 
ATOM   734 H H    . ILE C 1 11 ? 18.357 9.684   20.259 1.00 38.43  ? 11  ILE C H    1 
ATOM   735 H HA   . ILE C 1 11 ? 20.448 9.174   18.632 1.00 36.17  ? 11  ILE C HA   1 
ATOM   736 H HB   . ILE C 1 11 ? 18.744 7.358   19.975 1.00 33.43  ? 11  ILE C HB   1 
ATOM   737 H HG12 . ILE C 1 11 ? 21.443 7.898   20.559 1.00 43.89  ? 11  ILE C HG12 1 
ATOM   738 H HG13 . ILE C 1 11 ? 20.214 8.358   21.455 1.00 43.89  ? 11  ILE C HG13 1 
ATOM   739 H HG21 . ILE C 1 11 ? 20.086 5.624   19.165 1.00 44.24  ? 11  ILE C HG21 1 
ATOM   740 H HG22 . ILE C 1 11 ? 19.360 6.389   17.976 1.00 44.24  ? 11  ILE C HG22 1 
ATOM   741 H HG23 . ILE C 1 11 ? 20.893 6.672   18.285 1.00 44.24  ? 11  ILE C HG23 1 
ATOM   742 H HD11 . ILE C 1 11 ? 21.006 6.515   22.487 1.00 50.39  ? 11  ILE C HD11 1 
ATOM   743 H HD12 . ILE C 1 11 ? 19.711 6.008   21.720 1.00 50.39  ? 11  ILE C HD12 1 
ATOM   744 H HD13 . ILE C 1 11 ? 21.153 5.728   21.115 1.00 50.39  ? 11  ILE C HD13 1 
ATOM   745 N N    . ILE C 1 12 ? 19.238 8.836   16.534 1.00 25.88  ? 12  ILE C N    1 
ATOM   746 C CA   . ILE C 1 12 ? 18.523 8.736   15.291 1.00 24.29  ? 12  ILE C CA   1 
ATOM   747 C C    . ILE C 1 12 ? 19.003 7.486   14.593 1.00 34.46  ? 12  ILE C C    1 
ATOM   748 O O    . ILE C 1 12 ? 20.207 7.288   14.450 1.00 31.89  ? 12  ILE C O    1 
ATOM   749 C CB   . ILE C 1 12 ? 18.774 9.969   14.378 1.00 32.66  ? 12  ILE C CB   1 
ATOM   750 C CG1  . ILE C 1 12 ? 18.651 11.251  15.183 1.00 50.02  ? 12  ILE C CG1  1 
ATOM   751 C CG2  . ILE C 1 12 ? 17.835 9.922   13.214 1.00 39.70  ? 12  ILE C CG2  1 
ATOM   752 C CD1  . ILE C 1 12 ? 17.278 11.515  15.697 1.00 52.46  ? 12  ILE C CD1  1 
ATOM   753 H H    . ILE C 1 12 ? 20.091 8.885   16.431 1.00 31.09  ? 12  ILE C H    1 
ATOM   754 H HA   . ILE C 1 12 ? 17.572 8.671   15.471 1.00 29.19  ? 12  ILE C HA   1 
ATOM   755 H HB   . ILE C 1 12 ? 19.678 9.948   14.028 1.00 39.24  ? 12  ILE C HB   1 
ATOM   756 H HG12 . ILE C 1 12 ? 19.246 11.197  15.947 1.00 60.07  ? 12  ILE C HG12 1 
ATOM   757 H HG13 . ILE C 1 12 ? 18.903 11.999  14.618 1.00 60.07  ? 12  ILE C HG13 1 
ATOM   758 H HG21 . ILE C 1 12 ? 17.981 10.704  12.659 1.00 47.68  ? 12  ILE C HG21 1 
ATOM   759 H HG22 . ILE C 1 12 ? 18.007 9.116   12.703 1.00 47.68  ? 12  ILE C HG22 1 
ATOM   760 H HG23 . ILE C 1 12 ? 16.923 9.916   13.544 1.00 47.68  ? 12  ILE C HG23 1 
ATOM   761 H HD11 . ILE C 1 12 ? 16.689 11.692  14.947 1.00 62.99  ? 12  ILE C HD11 1 
ATOM   762 H HD12 . ILE C 1 12 ? 17.304 12.284  16.286 1.00 62.99  ? 12  ILE C HD12 1 
ATOM   763 H HD13 . ILE C 1 12 ? 16.969 10.735  16.184 1.00 62.99  ? 12  ILE C HD13 1 
ATOM   764 N N    . GLY C 1 13 ? 18.059 6.658   14.155 1.00 27.41  ? 13  GLY C N    1 
ATOM   765 C CA   . GLY C 1 13 ? 18.425 5.451   13.442 1.00 25.38  ? 13  GLY C CA   1 
ATOM   766 C C    . GLY C 1 13 ? 17.878 5.566   12.083 1.00 29.29  ? 13  GLY C C    1 
ATOM   767 O O    . GLY C 1 13 ? 16.661 5.743   11.889 1.00 38.04  ? 13  GLY C O    1 
ATOM   768 H H    . GLY C 1 13 ? 17.214 6.775   14.258 1.00 32.93  ? 13  GLY C H    1 
ATOM   769 H HA2  . GLY C 1 13 ? 19.390 5.359   13.400 1.00 30.50  ? 13  GLY C HA2  1 
ATOM   770 H HA3  . GLY C 1 13 ? 18.053 4.670   13.880 1.00 30.50  ? 13  GLY C HA3  1 
ATOM   771 N N    . LEU C 1 14 ? 18.778 5.576   11.127 1.00 28.29  ? 14  LEU C N    1 
ATOM   772 C CA   . LEU C 1 14 ? 18.470 5.706   9.721  1.00 42.83  ? 14  LEU C CA   1 
ATOM   773 C C    . LEU C 1 14 ? 18.759 4.391   9.010  1.00 38.39  ? 14  LEU C C    1 
ATOM   774 O O    . LEU C 1 14 ? 19.639 3.601   9.414  1.00 37.34  ? 14  LEU C O    1 
ATOM   775 C CB   . LEU C 1 14 ? 19.287 6.821   9.058  1.00 45.30  ? 14  LEU C CB   1 
ATOM   776 C CG   . LEU C 1 14 ? 19.196 8.263   9.540  1.00 46.41  ? 14  LEU C CG   1 
ATOM   777 C CD1  . LEU C 1 14 ? 17.751 8.634   9.931  1.00 46.57  ? 14  LEU C CD1  1 
ATOM   778 C CD2  . LEU C 1 14 ? 20.173 8.533   10.650 1.00 56.28  ? 14  LEU C CD2  1 
ATOM   779 H H    . LEU C 1 14 ? 19.623 5.504   11.274 1.00 33.99  ? 14  LEU C H    1 
ATOM   780 H HA   . LEU C 1 14 ? 17.530 5.925   9.624  1.00 51.43  ? 14  LEU C HA   1 
ATOM   781 H HB2  . LEU C 1 14 ? 20.221 6.573   9.142  1.00 54.40  ? 14  LEU C HB2  1 
ATOM   782 H HB3  . LEU C 1 14 ? 19.031 6.839   8.123  1.00 54.40  ? 14  LEU C HB3  1 
ATOM   783 H HG   . LEU C 1 14 ? 19.444 8.848   8.806  1.00 55.74  ? 14  LEU C HG   1 
ATOM   784 H HD11 . LEU C 1 14 ? 17.727 9.565   10.202 1.00 55.93  ? 14  LEU C HD11 1 
ATOM   785 H HD12 . LEU C 1 14 ? 17.172 8.498   9.165  1.00 55.93  ? 14  LEU C HD12 1 
ATOM   786 H HD13 . LEU C 1 14 ? 17.468 8.068   10.665 1.00 55.93  ? 14  LEU C HD13 1 
ATOM   787 H HD21 . LEU C 1 14 ? 20.013 9.423   11.002 1.00 67.58  ? 14  LEU C HD21 1 
ATOM   788 H HD22 . LEU C 1 14 ? 20.046 7.873   11.350 1.00 67.58  ? 14  LEU C HD22 1 
ATOM   789 H HD23 . LEU C 1 14 ? 21.075 8.474   10.299 1.00 67.58  ? 14  LEU C HD23 1 
ATOM   790 N N    . MET C 1 15 ? 18.059 4.186   7.907  1.00 40.71  ? 15  MET C N    1 
ATOM   791 C CA   . MET C 1 15 ? 18.158 2.917   7.221  1.00 36.25  ? 15  MET C CA   1 
ATOM   792 C C    . MET C 1 15 ? 18.783 3.079   5.857  1.00 48.91  ? 15  MET C C    1 
ATOM   793 O O    . MET C 1 15 ? 18.802 4.152   5.253  1.00 43.08  ? 15  MET C O    1 
ATOM   794 C CB   . MET C 1 15 ? 16.777 2.272   7.107  1.00 35.86  ? 15  MET C CB   1 
ATOM   795 C CG   . MET C 1 15 ? 16.183 1.678   8.467  1.00 40.01  ? 15  MET C CG   1 
ATOM   796 S SD   . MET C 1 15 ? 14.405 1.436   8.229  1.00 53.67  ? 15  MET C SD   1 
ATOM   797 C CE   . MET C 1 15 ? 14.255 -0.094  7.343  1.00 55.15  ? 15  MET C CE   1 
ATOM   798 H H    . MET C 1 15 ? 17.529 4.758   7.544  1.00 48.89  ? 15  MET C H    1 
ATOM   799 H HA   . MET C 1 15 ? 18.721 2.320   7.739  1.00 43.55  ? 15  MET C HA   1 
ATOM   800 H HB2  . MET C 1 15 ? 16.152 2.942   6.788  1.00 43.08  ? 15  MET C HB2  1 
ATOM   801 H HB3  . MET C 1 15 ? 16.832 1.541   6.472  1.00 43.08  ? 15  MET C HB3  1 
ATOM   802 H HG2  . MET C 1 15 ? 16.599 0.826   8.671  1.00 48.05  ? 15  MET C HG2  1 
ATOM   803 H HG3  . MET C 1 15 ? 16.328 2.301   9.197  1.00 48.05  ? 15  MET C HG3  1 
ATOM   804 H HE1  . MET C 1 15 ? 13.314 -0.307  7.239  1.00 66.22  ? 15  MET C HE1  1 
ATOM   805 H HE2  . MET C 1 15 ? 14.670 0.004   6.472  1.00 66.22  ? 15  MET C HE2  1 
ATOM   806 H HE3  . MET C 1 15 ? 14.699 -0.794  7.845  1.00 66.22  ? 15  MET C HE3  1 
ATOM   807 N N    . VAL C 1 16 ? 19.308 1.968   5.381  1.00 41.44  ? 16  VAL C N    1 
ATOM   808 C CA   . VAL C 1 16 ? 19.955 1.800   4.076  1.00 48.60  ? 16  VAL C CA   1 
ATOM   809 C C    . VAL C 1 16 ? 19.366 0.465   3.600  1.00 40.61  ? 16  VAL C C    1 
ATOM   810 O O    . VAL C 1 16 ? 19.992 -0.594  3.698  1.00 43.91  ? 16  VAL C O    1 
ATOM   811 C CB   . VAL C 1 16 ? 21.455 1.866   4.193  1.00 44.65  ? 16  VAL C CB   1 
ATOM   812 C CG1  . VAL C 1 16 ? 22.007 1.882   2.884  1.00 46.68  ? 16  VAL C CG1  1 
ATOM   813 C CG2  . VAL C 1 16 ? 21.886 3.146   4.921  1.00 53.20  ? 16  VAL C CG2  1 
ATOM   814 H H    . VAL C 1 16 ? 19.248 1.239   5.850  1.00 49.78  ? 16  VAL C H    1 
ATOM   815 H HA   . VAL C 1 16 ? 19.787 2.496   3.422  1.00 58.37  ? 16  VAL C HA   1 
ATOM   816 H HB   . VAL C 1 16 ? 21.773 1.100   4.694  1.00 53.62  ? 16  VAL C HB   1 
ATOM   817 H HG11 . VAL C 1 16 ? 22.973 1.942   2.949  1.00 56.06  ? 16  VAL C HG11 1 
ATOM   818 H HG12 . VAL C 1 16 ? 21.757 1.065   2.425  1.00 56.06  ? 16  VAL C HG12 1 
ATOM   819 H HG13 . VAL C 1 16 ? 21.660 2.650   2.403  1.00 56.06  ? 16  VAL C HG13 1 
ATOM   820 H HG21 . VAL C 1 16 ? 22.855 3.191   4.934  1.00 63.89  ? 16  VAL C HG21 1 
ATOM   821 H HG22 . VAL C 1 16 ? 21.525 3.914   4.451  1.00 63.89  ? 16  VAL C HG22 1 
ATOM   822 H HG23 . VAL C 1 16 ? 21.544 3.123   5.829  1.00 63.89  ? 16  VAL C HG23 1 
HETATM 823 O O    . HOH D 2 .  ? 29.304 -13.763 13.680 1.00 54.04  ? 101 HOH A O    1 
HETATM 824 O O    . HOH D 2 .  ? 27.213 -1.978  13.868 1.00 33.98  ? 102 HOH A O    1 
HETATM 825 O O    . HOH D 2 .  ? 31.941 0.945   12.292 1.00 58.93  ? 103 HOH A O    1 
HETATM 826 O O    . HOH D 2 .  ? 13.032 -2.304  6.008  1.00 55.95  ? 104 HOH A O    1 
HETATM 827 O O    . HOH D 2 .  ? 33.756 0.000   13.195 0.50 51.40  ? 105 HOH A O    1 
HETATM 828 O O    . HOH E 2 .  ? 36.146 -7.222  23.406 1.00 37.10  ? 101 HOH B O    1 
HETATM 829 O O    . HOH E 2 .  ? 33.165 -6.755  21.867 1.00 40.45  ? 102 HOH B O    1 
HETATM 830 O O    . HOH E 2 .  ? 27.143 1.410   13.917 1.00 37.17  ? 103 HOH B O    1 
HETATM 831 O O    . HOH E 2 .  ? 25.724 12.707  13.653 1.00 52.67  ? 104 HOH B O    1 
HETATM 832 O O    . HOH E 2 .  ? 32.806 10.990  19.615 1.00 43.47  ? 105 HOH B O    1 
HETATM 833 O O    . HOH F 2 .  ? 24.195 16.655  13.025 1.00 40.03  ? 101 HOH C O    1 
HETATM 834 O O    . HOH F 2 .  ? 25.096 0.424   11.508 1.00 51.28  ? 102 HOH C O    1 
HETATM 835 O O    . HOH F 2 .  ? 14.865 -4.389  3.729  1.00 54.03  ? 103 HOH C O    1 
HETATM 836 O O    . HOH F 2 .  ? 18.453 16.412  19.512 1.00 55.81  ? 104 HOH C O    1 
HETATM 837 O O    . HOH F 2 .  ? 25.713 -0.374  13.549 1.00 57.53  ? 105 HOH C 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   . ORN A 1  ? 0.4041 0.5263 0.4930 0.0816  -0.1301 0.0027  1  ORN A N   
2   C CA  . ORN A 1  ? 0.3672 0.5055 0.4877 0.0655  -0.1082 0.0003  1  ORN A CA  
3   C CB  . ORN A 1  ? 0.3793 0.4711 0.4805 0.0804  -0.0970 0.0118  1  ORN A CB  
4   C CG  . ORN A 1  ? 0.3879 0.4886 0.5021 0.1160  -0.1118 0.0047  1  ORN A CG  
5   C CD  . ORN A 1  ? 0.4094 0.5729 0.5740 0.1191  -0.1052 -0.0159 1  ORN A CD  
6   N NE  . ORN A 1  ? 0.3250 0.4763 0.4901 0.1023  -0.0824 -0.0148 1  ORN A NE  
7   C C   . ORN A 1  ? 0.3162 0.4442 0.4345 0.0322  -0.0904 0.0043  1  ORN A C   
8   O O   . ORN A 1  ? 0.3634 0.4556 0.4491 0.0237  -0.0905 0.0109  1  ORN A O   
20  N N   . LYS A 2  ? 0.2854 0.4452 0.4364 0.0153  -0.0731 0.0010  2  LYS A N   
21  C CA  . LYS A 2  ? 0.2844 0.4301 0.4317 -0.0125 -0.0556 0.0086  2  LYS A CA  
22  C C   . LYS A 2  ? 0.3158 0.4119 0.4293 -0.0079 -0.0427 0.0212  2  LYS A C   
23  O O   . LYS A 2  ? 0.3323 0.4203 0.4426 0.0093  -0.0411 0.0212  2  LYS A O   
24  C CB  . LYS A 2  ? 0.3172 0.5116 0.5023 -0.0284 -0.0396 0.0065  2  LYS A CB  
25  C CG  . LYS A 2  ? 0.3400 0.5194 0.5230 -0.0581 -0.0256 0.0169  2  LYS A CG  
26  C CD  . LYS A 2  ? 0.5216 0.7414 0.7284 -0.0715 -0.0036 0.0236  2  LYS A CD  
27  C CE  . LYS A 2  ? 0.6855 0.8918 0.8980 -0.1041 0.0071  0.0362  2  LYS A CE  
28  N NZ  . LYS A 2  ? 0.8352 1.0738 1.0612 -0.1192 0.0320  0.0509  2  LYS A NZ  
42  N N   . LEU A 3  ? 0.2987 0.3628 0.3910 -0.0222 -0.0353 0.0290  3  LEU A N   
43  C CA  . LEU A 3  ? 0.2949 0.3259 0.3653 -0.0212 -0.0222 0.0385  3  LEU A CA  
44  C C   . LEU A 3  ? 0.3065 0.3498 0.3872 -0.0343 -0.0075 0.0424  3  LEU A C   
45  O O   . LEU A 3  ? 0.3277 0.3731 0.4136 -0.0504 -0.0049 0.0453  3  LEU A O   
46  C CB  . LEU A 3  ? 0.3555 0.3491 0.3944 -0.0224 -0.0234 0.0437  3  LEU A CB  
47  C CG  . LEU A 3  ? 0.3904 0.3692 0.4069 -0.0067 -0.0355 0.0449  3  LEU A CG  
48  C CD1 . LEU A 3  ? 0.5434 0.4959 0.5270 -0.0081 -0.0346 0.0470  3  LEU A CD1 
49  C CD2 . LEU A 3  ? 0.4182 0.3822 0.4307 0.0058  -0.0312 0.0526  3  LEU A CD2 
61  N N   . VAL A 4  ? 0.3245 0.3742 0.4071 -0.0268 0.0007  0.0419  4  VAL A N   
62  C CA  . VAL A 4  ? 0.3093 0.3752 0.3941 -0.0336 0.0134  0.0464  4  VAL A CA  
63  C C   . VAL A 4  ? 0.3528 0.3914 0.4185 -0.0305 0.0174  0.0504  4  VAL A C   
64  O O   . VAL A 4  ? 0.3173 0.3430 0.3813 -0.0219 0.0144  0.0448  4  VAL A O   
65  C CB  . VAL A 4  ? 0.3151 0.4218 0.4164 -0.0246 0.0178  0.0376  4  VAL A CB  
66  C CG1 . VAL A 4  ? 0.4245 0.5683 0.5519 -0.0261 0.0141  0.0317  4  VAL A CG1 
67  C CG2 . VAL A 4  ? 0.5198 0.6151 0.6192 -0.0074 0.0125  0.0255  4  VAL A CG2 
77  N N   . H7V A 5  ? 0.4116 0.4406 0.4656 -0.0368 0.0235  0.0600  5  H7V A N   
78  C CA  . H7V A 5  ? 0.3710 0.3829 0.4122 -0.0308 0.0252  0.0611  5  H7V A CA  
79  C C   . H7V A 5  ? 0.3773 0.4040 0.4139 -0.0250 0.0292  0.0623  5  H7V A C   
80  O O   . H7V A 5  ? 0.3641 0.4048 0.3958 -0.0267 0.0342  0.0704  5  H7V A O   
81  C CB  . H7V A 5  ? 0.4146 0.3944 0.4411 -0.0337 0.0243  0.0670  5  H7V A CB  
82  C C01 . H7V A 5  ? 0.4527 0.4183 0.4771 -0.0372 0.0175  0.0630  5  H7V A C01 
83  C C02 . H7V A 5  ? 0.4712 0.4151 0.4876 -0.0454 0.0141  0.0649  5  H7V A C02 
84  C C03 . H7V A 5  ? 0.5986 0.5279 0.6037 -0.0433 0.0047  0.0564  5  H7V A C03 
85  C C04 . H7V A 5  ? 0.4869 0.4077 0.4741 -0.0309 0.0085  0.0559  5  H7V A C04 
86  C C05 . H7V A 5  ? 0.4553 0.3925 0.4545 -0.0276 0.0124  0.0594  5  H7V A C05 
87  C C06 . H7V A 5  ? 0.4093 0.3612 0.4230 -0.0296 0.0191  0.0611  5  H7V A C06 
88  C C07 . H7V A 5  ? 0.4828 0.5090 0.5363 -0.0504 0.0275  0.0708  5  H7V A C07 
106 N N   . PHE A 6  ? 0.3239 0.3523 0.3634 -0.0176 0.0271  0.0535  6  PHE A N   
107 C CA  . PHE A 6  ? 0.3309 0.3803 0.3665 -0.0081 0.0264  0.0494  6  PHE A CA  
108 C C   . PHE A 6  ? 0.3965 0.4380 0.4342 -0.0041 0.0246  0.0472  6  PHE A C   
109 O O   . PHE A 6  ? 0.3424 0.3692 0.3890 -0.0093 0.0264  0.0448  6  PHE A O   
110 C CB  . PHE A 6  ? 0.2892 0.3633 0.3378 -0.0026 0.0223  0.0306  6  PHE A CB  
111 C CG  . PHE A 6  ? 0.3359 0.4299 0.3838 -0.0007 0.0253  0.0291  6  PHE A CG  
112 C CD1 . PHE A 6  ? 0.4356 0.5223 0.4968 -0.0044 0.0242  0.0256  6  PHE A CD1 
113 C CD2 . PHE A 6  ? 0.4276 0.5524 0.4597 0.0070  0.0299  0.0323  6  PHE A CD2 
114 C CE1 . PHE A 6  ? 0.4516 0.5671 0.5183 -0.0005 0.0276  0.0218  6  PHE A CE1 
115 C CE2 . PHE A 6  ? 0.5060 0.6589 0.5394 0.0086  0.0369  0.0313  6  PHE A CE2 
116 C CZ  . PHE A 6  ? 0.5403 0.6915 0.5949 0.0046  0.0358  0.0244  6  PHE A CZ  
126 N N   . ALA A 7  ? 0.3521 0.4091 0.3812 0.0075  0.0216  0.0482  7  ALA A N   
127 C CA  . ALA A 7  ? 0.3125 0.3773 0.3515 0.0148  0.0185  0.0415  7  ALA A CA  
128 C C   . ALA A 7  ? 0.4348 0.5384 0.4832 0.0251  0.0091  0.0255  7  ALA A C   
129 O O   . ALA A 7  ? 0.4102 0.5280 0.4374 0.0364  0.0052  0.0296  7  ALA A O   
130 C CB  . ALA A 7  ? 0.4303 0.4759 0.4500 0.0258  0.0190  0.0559  7  ALA A CB  
136 N N   . GLU A 8  ? 0.4647 0.5864 0.5442 0.0199  0.0060  0.0071  8  GLU A N   
137 C CA  . GLU A 8  ? 0.5415 0.7041 0.6383 0.0273  -0.0067 -0.0155 8  GLU A CA  
138 C C   . GLU A 8  ? 0.5206 0.7086 0.6455 0.0299  -0.0094 -0.0244 8  GLU A C   
139 O O   . GLU A 8  ? 0.4895 0.6782 0.6485 0.0121  -0.0022 -0.0319 8  GLU A O   
140 C CB  . GLU A 8  ? 0.4619 0.6263 0.5824 0.0139  -0.0099 -0.0365 8  GLU A CB  
141 C CG  . GLU A 8  ? 0.4440 0.5950 0.5424 0.0161  -0.0080 -0.0333 8  GLU A CG  
142 C CD  . GLU A 8  ? 0.5555 0.7341 0.6214 0.0358  -0.0135 -0.0318 8  GLU A CD  
143 O OE1 . GLU A 8  ? 0.5393 0.7496 0.6027 0.0497  -0.0251 -0.0420 8  GLU A OE1 
144 O OE2 . GLU A 8  ? 0.4711 0.6433 0.5146 0.0377  -0.0058 -0.0197 8  GLU A OE2 
151 N N   . ORN A 9  ? 0.4719 0.7188 0.6670 0.0461  0.0195  -0.0227 9  ORN A N   
152 C CA  . ORN A 9  ? 0.4991 0.7048 0.6680 0.0323  0.0163  -0.0147 9  ORN A CA  
153 C CB  . ORN A 9  ? 0.5688 0.7487 0.6916 0.0530  0.0055  -0.0011 9  ORN A CB  
154 C CG  . ORN A 9  ? 0.5691 0.7872 0.6897 0.0745  -0.0137 -0.0113 9  ORN A CG  
155 C CD  . ORN A 9  ? 0.6700 0.9150 0.8089 0.0623  -0.0231 -0.0317 9  ORN A CD  
156 N NE  . ORN A 9  ? 0.4430 0.6534 0.5527 0.0537  -0.0188 -0.0212 9  ORN A NE  
157 C C   . ORN A 9  ? 0.5247 0.6871 0.6816 0.0127  0.0329  -0.0008 9  ORN A C   
158 O O   . ORN A 9  ? 0.6124 0.7562 0.7534 0.0171  0.0438  0.0096  9  ORN A O   
168 N N   . ALA A 10 ? 0.4289 0.5746 0.5913 -0.0062 0.0328  -0.0027 10 ALA A N   
169 C CA  . ALA A 10 ? 0.5265 0.6325 0.6751 -0.0205 0.0449  0.0112  10 ALA A CA  
170 C C   . ALA A 10 ? 0.4117 0.4866 0.5253 -0.0139 0.0381  0.0206  10 ALA A C   
171 O O   . ALA A 10 ? 0.4134 0.4973 0.5213 -0.0069 0.0274  0.0152  10 ALA A O   
172 C CB  . ALA A 10 ? 0.5613 0.6616 0.7377 -0.0426 0.0494  0.0060  10 ALA A CB  
178 N N   . ILE A 11 ? 0.4214 0.4654 0.5123 -0.0159 0.0451  0.0338  11 ILE A N   
179 C CA  . ILE A 11 ? 0.3779 0.3957 0.4435 -0.0146 0.0402  0.0422  11 ILE A CA  
180 C C   . ILE A 11 ? 0.3567 0.3584 0.4264 -0.0252 0.0411  0.0436  11 ILE A C   
181 O O   . ILE A 11 ? 0.3719 0.3642 0.4466 -0.0329 0.0496  0.0478  11 ILE A O   
182 C CB  . ILE A 11 ? 0.3866 0.3817 0.4268 -0.0085 0.0426  0.0508  11 ILE A CB  
183 C CG1 . ILE A 11 ? 0.4796 0.4845 0.5167 0.0065  0.0398  0.0492  11 ILE A CG1 
184 C CG2 . ILE A 11 ? 0.4531 0.4264 0.4771 -0.0128 0.0369  0.0568  11 ILE A CG2 
185 C CD1 . ILE A 11 ? 0.5744 0.5488 0.5874 0.0143  0.0389  0.0542  11 ILE A CD1 
197 N N   . ILE A 12 ? 0.3064 0.3070 0.3747 -0.0243 0.0335  0.0405  12 ILE A N   
198 C CA  . ILE A 12 ? 0.3100 0.2939 0.3816 -0.0280 0.0312  0.0404  12 ILE A CA  
199 C C   . ILE A 12 ? 0.3441 0.3221 0.3998 -0.0240 0.0263  0.0461  12 ILE A C   
200 O O   . ILE A 12 ? 0.3577 0.3528 0.4117 -0.0215 0.0240  0.0447  12 ILE A O   
201 C CB  . ILE A 12 ? 0.4340 0.4290 0.5264 -0.0272 0.0248  0.0241  12 ILE A CB  
202 C CG1 . ILE A 12 ? 0.5551 0.5657 0.6721 -0.0335 0.0255  0.0115  12 ILE A CG1 
203 C CG2 . ILE A 12 ? 0.4883 0.4559 0.5835 -0.0274 0.0219  0.0250  12 ILE A CG2 
204 C CD1 . ILE A 12 ? 0.5960 0.6019 0.7214 -0.0439 0.0366  0.0204  12 ILE A CD1 
216 N N   . GLY A 13 ? 0.3593 0.3167 0.4051 -0.0237 0.0245  0.0529  13 GLY A N   
217 C CA  . GLY A 13 ? 0.3203 0.2800 0.3601 -0.0199 0.0163  0.0537  13 GLY A CA  
218 C C   . GLY A 13 ? 0.3433 0.2968 0.3912 -0.0121 0.0092  0.0502  13 GLY A C   
219 O O   . GLY A 13 ? 0.3961 0.3226 0.4374 -0.0102 0.0101  0.0570  13 GLY A O   
223 N N   . LEU A 14 ? 0.3257 0.3035 0.3879 -0.0062 0.0038  0.0406  14 LEU A N   
224 C CA  . LEU A 14 ? 0.3942 0.3694 0.4668 0.0073  -0.0047 0.0330  14 LEU A CA  
225 C C   . LEU A 14 ? 0.3514 0.3450 0.4259 0.0149  -0.0145 0.0329  14 LEU A C   
226 O O   . LEU A 14 ? 0.3602 0.3812 0.4396 0.0058  -0.0129 0.0329  14 LEU A O   
227 C CB  . LEU A 14 ? 0.4177 0.4168 0.5088 0.0133  -0.0038 0.0155  14 LEU A CB  
228 C CG  . LEU A 14 ? 0.5105 0.4953 0.6039 0.0054  0.0015  0.0111  14 LEU A CG  
229 C CD1 . LEU A 14 ? 0.5890 0.6036 0.6946 0.0130  0.0001  -0.0102 14 LEU A CD1 
230 C CD2 . LEU A 14 ? 0.4352 0.3737 0.5298 0.0027  0.0002  0.0162  14 LEU A CD2 
242 N N   . MET A 15 ? 0.4157 0.3937 0.4890 0.0315  -0.0257 0.0326  15 MET A N   
243 C CA  . MET A 15 ? 0.4154 0.4205 0.4965 0.0430  -0.0389 0.0283  15 MET A CA  
244 C C   . MET A 15 ? 0.4499 0.4998 0.5621 0.0563  -0.0422 0.0104  15 MET A C   
245 O O   . MET A 15 ? 0.4421 0.4839 0.5626 0.0715  -0.0432 0.0000  15 MET A O   
246 C CB  . MET A 15 ? 0.4475 0.4167 0.5061 0.0611  -0.0526 0.0388  15 MET A CB  
247 C CG  . MET A 15 ? 0.5101 0.4472 0.5332 0.0517  -0.0488 0.0563  15 MET A CG  
248 S SD  . MET A 15 ? 0.7451 0.6330 0.7301 0.0737  -0.0594 0.0764  15 MET A SD  
249 C CE  . MET A 15 ? 0.6227 0.5520 0.6200 0.0988  -0.0862 0.0629  15 MET A CE  
259 N N   . VAL A 16 ? 0.3195 0.4190 0.4512 0.0505  -0.0444 0.0052  16 VAL A N   
260 C CA  . VAL A 16 ? 0.3561 0.5165 0.5233 0.0615  -0.0448 -0.0115 16 VAL A CA  
261 C C   . VAL A 16 ? 0.3258 0.5056 0.5030 0.0721  -0.0647 -0.0141 16 VAL A C   
262 O O   . VAL A 16 ? 0.3386 0.5524 0.5318 0.0539  -0.0662 -0.0150 16 VAL A O   
263 C CB  . VAL A 16 ? 0.3602 0.5665 0.5446 0.0399  -0.0266 -0.0121 16 VAL A CB  
264 C CG1 . VAL A 16 ? 0.3400 0.6165 0.5609 0.0516  -0.0229 -0.0282 16 VAL A CG1 
265 C CG2 . VAL A 16 ? 0.4014 0.5835 0.5661 0.0339  -0.0123 -0.0084 16 VAL A CG2 
275 N N   . ORN B 1  ? 0.6756 0.5212 0.9545 -0.1177 0.0679  0.2116  1  ORN B N   
276 C CA  . ORN B 1  ? 0.6047 0.5185 0.8798 -0.1302 0.0641  0.2020  1  ORN B CA  
277 C CB  . ORN B 1  ? 0.6776 0.5987 0.9882 -0.1644 0.0548  0.1616  1  ORN B CB  
278 C CG  . ORN B 1  ? 0.7937 0.7112 1.1378 -0.1954 0.0690  0.1645  1  ORN B CG  
279 C CD  . ORN B 1  ? 0.5276 0.5172 0.8857 -0.2043 0.0782  0.1797  1  ORN B CD  
280 N NE  . ORN B 1  ? 0.5098 0.5601 0.8683 -0.2002 0.0597  0.1582  1  ORN B NE  
281 C C   . ORN B 1  ? 0.4935 0.4535 0.7259 -0.1033 0.0471  0.1859  1  ORN B C   
282 O O   . ORN B 1  ? 0.4772 0.4265 0.6971 -0.0919 0.0317  0.1571  1  ORN B O   
294 N N   . LYS B 2  ? 0.4505 0.4633 0.6620 -0.0947 0.0530  0.2018  2  LYS B N   
295 C CA  . LYS B 2  ? 0.3691 0.4189 0.5436 -0.0722 0.0388  0.1814  2  LYS B CA  
296 C C   . LYS B 2  ? 0.4285 0.4897 0.6138 -0.0818 0.0248  0.1417  2  LYS B C   
297 O O   . LYS B 2  ? 0.3962 0.4644 0.6136 -0.1050 0.0249  0.1319  2  LYS B O   
298 C CB  . LYS B 2  ? 0.5002 0.5984 0.6495 -0.0614 0.0516  0.2006  2  LYS B CB  
299 C CG  . LYS B 2  ? 0.4054 0.5370 0.5153 -0.0391 0.0413  0.1783  2  LYS B CG  
300 C CD  . LYS B 2  ? 0.6027 0.7779 0.6869 -0.0294 0.0607  0.1966  2  LYS B CD  
301 C CE  . LYS B 2  ? 0.6642 0.8766 0.7564 -0.0283 0.0656  0.1729  2  LYS B CE  
302 N NZ  . LYS B 2  ? 0.7660 1.0141 0.8164 -0.0081 0.0808  0.1753  2  LYS B NZ  
316 N N   . LEU B 3  ? 0.3361 0.4008 0.4961 -0.0644 0.0123  0.1201  3  LEU B N   
317 C CA  . LEU B 3  ? 0.3059 0.3787 0.4650 -0.0670 0.0021  0.0900  3  LEU B CA  
318 C C   . LEU B 3  ? 0.3502 0.4603 0.4903 -0.0526 0.0038  0.0859  3  LEU B C   
319 O O   . LEU B 3  ? 0.3411 0.4602 0.4573 -0.0369 0.0065  0.0911  3  LEU B O   
320 C CB  . LEU B 3  ? 0.3057 0.3494 0.4536 -0.0587 -0.0065 0.0689  3  LEU B CB  
321 C CG  . LEU B 3  ? 0.3405 0.3419 0.5058 -0.0695 -0.0062 0.0633  3  LEU B CG  
322 C CD1 . LEU B 3  ? 0.3546 0.3331 0.5120 -0.0561 -0.0084 0.0465  3  LEU B CD1 
323 C CD2 . LEU B 3  ? 0.4373 0.4396 0.6148 -0.0908 -0.0109 0.0457  3  LEU B CD2 
335 N N   . VAL B 4  ? 0.2936 0.4243 0.4435 -0.0562 0.0008  0.0744  4  VAL B N   
336 C CA  . VAL B 4  ? 0.2747 0.4306 0.4109 -0.0391 0.0045  0.0682  4  VAL B CA  
337 C C   . VAL B 4  ? 0.3295 0.4705 0.4565 -0.0334 -0.0045 0.0493  4  VAL B C   
338 O O   . VAL B 4  ? 0.2711 0.4131 0.4093 -0.0434 -0.0138 0.0447  4  VAL B O   
339 C CB  . VAL B 4  ? 0.3205 0.5220 0.4823 -0.0414 0.0138  0.0808  4  VAL B CB  
340 C CG1 . VAL B 4  ? 0.4834 0.7050 0.6338 -0.0189 0.0208  0.0734  4  VAL B CG1 
341 C CG2 . VAL B 4  ? 0.3823 0.5964 0.5521 -0.0494 0.0294  0.1053  4  VAL B CG2 
351 N N   . H7V B 5  ? 0.3265 0.4548 0.4325 -0.0183 -0.0008 0.0386  5  H7V B N   
352 C CA  . H7V B 5  ? 0.2877 0.3970 0.3834 -0.0114 -0.0027 0.0276  5  H7V B CA  
353 C C   . H7V B 5  ? 0.3072 0.4257 0.4010 0.0044  0.0030  0.0287  5  H7V B C   
354 O O   . H7V B 5  ? 0.3067 0.4376 0.4008 0.0157  0.0128  0.0285  5  H7V B O   
355 C CB  . H7V B 5  ? 0.2891 0.3659 0.3725 -0.0118 -0.0004 0.0146  5  H7V B CB  
356 C C01 . H7V B 5  ? 0.4119 0.4705 0.4987 -0.0232 -0.0056 0.0112  5  H7V B C01 
357 C C02 . H7V B 5  ? 0.5457 0.6090 0.6461 -0.0328 -0.0106 0.0203  5  H7V B C02 
358 C C03 . H7V B 5  ? 0.3626 0.3977 0.4673 -0.0396 -0.0120 0.0121  5  H7V B C03 
359 C C04 . H7V B 5  ? 0.3645 0.3874 0.4709 -0.0321 -0.0076 0.0030  5  H7V B C04 
360 C C05 . H7V B 5  ? 0.6473 0.6721 0.7426 -0.0269 -0.0013 -0.0055 5  H7V B C05 
361 C C06 . H7V B 5  ? 0.5415 0.5851 0.6290 -0.0210 -0.0015 -0.0001 5  H7V B C06 
362 C C07 . H7V B 5  ? 0.4161 0.5516 0.5066 -0.0063 0.0079  0.0361  5  H7V B C07 
380 N N   . PHE B 6  ? 0.2898 0.4038 0.3790 0.0092  -0.0026 0.0313  6  PHE B N   
381 C CA  . PHE B 6  ? 0.2679 0.3865 0.3557 0.0318  0.0031  0.0383  6  PHE B CA  
382 C C   . PHE B 6  ? 0.3585 0.4379 0.4216 0.0387  0.0066  0.0392  6  PHE B C   
383 O O   . PHE B 6  ? 0.4091 0.4762 0.4567 0.0271  -0.0002 0.0365  6  PHE B O   
384 C CB  . PHE B 6  ? 0.2956 0.4647 0.4061 0.0380  -0.0085 0.0513  6  PHE B CB  
385 C CG  . PHE B 6  ? 0.2809 0.4931 0.4228 0.0284  -0.0066 0.0548  6  PHE B CG  
386 C CD1 . PHE B 6  ? 0.2623 0.4831 0.4167 0.0014  -0.0149 0.0533  6  PHE B CD1 
387 C CD2 . PHE B 6  ? 0.2940 0.5351 0.4540 0.0471  0.0076  0.0607  6  PHE B CD2 
388 C CE1 . PHE B 6  ? 0.2952 0.5515 0.4797 -0.0089 -0.0080 0.0622  6  PHE B CE1 
389 C CE2 . PHE B 6  ? 0.2766 0.5612 0.4651 0.0381  0.0150  0.0675  6  PHE B CE2 
390 C CZ  . PHE B 6  ? 0.2605 0.5506 0.4601 0.0088  0.0077  0.0702  6  PHE B CZ  
400 N N   . ALA B 7  ? 0.3510 0.4089 0.4100 0.0593  0.0208  0.0441  7  ALA B N   
401 C CA  . ALA B 7  ? 0.3943 0.4109 0.4308 0.0697  0.0308  0.0536  7  ALA B CA  
402 C C   . ALA B 7  ? 0.4072 0.4440 0.4419 0.0978  0.0250  0.0772  7  ALA B C   
403 O O   . ALA B 7  ? 0.4522 0.4958 0.5057 0.1197  0.0335  0.0826  7  ALA B O   
404 C CB  . ALA B 7  ? 0.4231 0.3895 0.4618 0.0700  0.0543  0.0418  7  ALA B CB  
410 N N   . GLU B 8  ? 0.4983 0.5466 0.5085 0.1002  0.0105  0.0905  8  GLU B N   
411 C CA  . GLU B 8  ? 0.6543 0.7346 0.6593 0.1283  -0.0032 0.1150  8  GLU B CA  
412 C C   . GLU B 8  ? 0.5824 0.6215 0.5407 0.1448  0.0058  0.1376  8  GLU B C   
413 O O   . GLU B 8  ? 0.6690 0.7099 0.5909 0.1329  -0.0037 0.1358  8  GLU B O   
414 C CB  . GLU B 8  ? 0.6982 0.8474 0.7142 0.1158  -0.0361 0.1094  8  GLU B CB  
415 C CG  . GLU B 8  ? 0.6491 0.8477 0.7177 0.1066  -0.0414 0.0994  8  GLU B CG  
416 C CD  . GLU B 8  ? 0.6336 0.8740 0.7362 0.1405  -0.0412 0.1184  8  GLU B CD  
417 O OE1 . GLU B 8  ? 0.7553 0.9993 0.8433 0.1723  -0.0473 0.1417  8  GLU B OE1 
418 O OE2 . GLU B 8  ? 0.7061 0.9758 0.8494 0.1386  -0.0322 0.1122  8  GLU B OE2 
425 N N   . ORN B 9  ? 0.9245 0.7810 0.7147 0.1545  0.0892  0.2030  9  ORN B N   
426 C CA  . ORN B 9  ? 0.8775 0.7802 0.7177 0.1385  0.0632  0.1691  9  ORN B CA  
427 C CB  . ORN B 9  ? 0.8569 0.7319 0.7504 0.1379  0.0800  0.1590  9  ORN B CB  
428 C CG  . ORN B 9  ? 0.8774 0.7510 0.7852 0.1750  0.0804  0.1837  9  ORN B CG  
429 C CD  . ORN B 9  ? 0.7302 0.6814 0.6437 0.1932  0.0431  0.1907  9  ORN B CD  
430 N NE  . ORN B 9  ? 0.6280 0.6247 0.5859 0.1740  0.0285  0.1599  9  ORN B NE  
431 C C   . ORN B 9  ? 0.7538 0.6681 0.6003 0.1032  0.0590  0.1338  9  ORN B C   
432 O O   . ORN B 9  ? 0.7619 0.6427 0.5966 0.0881  0.0832  0.1282  9  ORN B O   
442 N N   . ALA B 10 ? 0.5819 0.5455 0.4552 0.0905  0.0303  0.1109  10 ALA B N   
443 C CA  . ALA B 10 ? 0.4913 0.4617 0.3758 0.0616  0.0261  0.0808  10 ALA B CA  
444 C C   . ALA B 10 ? 0.4718 0.4630 0.4067 0.0492  0.0168  0.0637  10 ALA B C   
445 O O   . ALA B 10 ? 0.4607 0.4739 0.4182 0.0623  0.0094  0.0723  10 ALA B O   
446 C CB  . ALA B 10 ? 0.6204 0.6219 0.4713 0.0550  0.0027  0.0700  10 ALA B CB  
452 N N   . ILE B 11 ? 0.4295 0.4143 0.3808 0.0274  0.0198  0.0423  11 ILE B N   
453 C CA  . ILE B 11 ? 0.3955 0.4017 0.3846 0.0154  0.0100  0.0295  11 ILE B CA  
454 C C   . ILE B 11 ? 0.4144 0.4513 0.4065 0.0028  -0.0121 0.0209  11 ILE B C   
455 O O   . ILE B 11 ? 0.3869 0.4159 0.3558 -0.0055 -0.0159 0.0102  11 ILE B O   
456 C CB  . ILE B 11 ? 0.4251 0.4103 0.4336 0.0025  0.0232  0.0149  11 ILE B CB  
457 C CG1 . ILE B 11 ? 0.4259 0.3861 0.4427 0.0092  0.0420  0.0170  11 ILE B CG1 
458 C CG2 . ILE B 11 ? 0.3874 0.3959 0.4230 -0.0074 0.0111  0.0071  11 ILE B CG2 
459 C CD1 . ILE B 11 ? 0.4508 0.3943 0.4860 -0.0043 0.0551  0.0021  11 ILE B CD1 
471 N N   . ILE B 12 ? 0.3632 0.4340 0.3854 -0.0002 -0.0238 0.0233  12 ILE B N   
472 C CA  . ILE B 12 ? 0.3446 0.4427 0.3838 -0.0183 -0.0416 0.0146  12 ILE B CA  
473 C C   . ILE B 12 ? 0.3569 0.4564 0.4285 -0.0304 -0.0360 0.0139  12 ILE B C   
474 O O   . ILE B 12 ? 0.3191 0.4310 0.4049 -0.0211 -0.0278 0.0235  12 ILE B O   
475 C CB  . ILE B 12 ? 0.3932 0.5426 0.4456 -0.0129 -0.0607 0.0229  12 ILE B CB  
476 C CG1 . ILE B 12 ? 0.5839 0.7346 0.5974 0.0084  -0.0666 0.0325  12 ILE B CG1 
477 C CG2 . ILE B 12 ? 0.3530 0.5264 0.4272 -0.0394 -0.0788 0.0076  12 ILE B CG2 
478 C CD1 . ILE B 12 ? 0.7613 0.9192 0.7410 -0.0012 -0.0854 0.0181  12 ILE B CD1 
490 N N   . GLY B 13 ? 0.3203 0.4055 0.4004 -0.0491 -0.0393 0.0031  13 GLY B N   
491 C CA  . GLY B 13 ? 0.3035 0.3862 0.4102 -0.0587 -0.0336 0.0092  13 GLY B CA  
492 C C   . GLY B 13 ? 0.2867 0.3854 0.4220 -0.0804 -0.0425 0.0080  13 GLY B C   
493 O O   . GLY B 13 ? 0.3323 0.4173 0.4657 -0.0958 -0.0518 -0.0098 13 GLY B O   
497 N N   . LEU B 14 ? 0.2799 0.4098 0.4444 -0.0845 -0.0383 0.0245  14 LEU B N   
498 C CA  . LEU B 14 ? 0.2719 0.4232 0.4755 -0.1097 -0.0436 0.0252  14 LEU B CA  
499 C C   . LEU B 14 ? 0.2783 0.4113 0.5022 -0.1195 -0.0271 0.0438  14 LEU B C   
500 O O   . LEU B 14 ? 0.3009 0.4340 0.5103 -0.1023 -0.0141 0.0615  14 LEU B O   
501 C CB  . LEU B 14 ? 0.3067 0.5226 0.5387 -0.1082 -0.0500 0.0326  14 LEU B CB  
502 C CG  . LEU B 14 ? 0.2664 0.5035 0.4771 -0.0945 -0.0696 0.0203  14 LEU B CG  
503 C CD1 . LEU B 14 ? 0.2961 0.5987 0.5373 -0.0810 -0.0728 0.0340  14 LEU B CD1 
504 C CD2 . LEU B 14 ? 0.4254 0.6568 0.6331 -0.1166 -0.0902 -0.0045 14 LEU B CD2 
516 N N   . MET B 15 ? 0.3612 0.4737 0.6139 -0.1466 -0.0276 0.0386  15 MET B N   
517 C CA  . MET B 15 ? 0.3198 0.4021 0.5916 -0.1559 -0.0092 0.0619  15 MET B CA  
518 C C   . MET B 15 ? 0.3214 0.4493 0.6321 -0.1694 0.0038  0.0858  15 MET B C   
519 O O   . MET B 15 ? 0.3223 0.4931 0.6729 -0.1906 -0.0044 0.0754  15 MET B O   
520 C CB  . MET B 15 ? 0.4328 0.4597 0.7233 -0.1791 -0.0093 0.0467  15 MET B CB  
521 C CG  . MET B 15 ? 0.6633 0.6517 0.9228 -0.1709 -0.0201 0.0152  15 MET B CG  
522 S SD  . MET B 15 ? 0.8171 0.7232 1.0943 -0.1862 -0.0097 0.0019  15 MET B SD  
523 C CE  . MET B 15 ? 0.5797 0.4616 0.8790 -0.1791 0.0143  0.0532  15 MET B CE  
533 N N   . VAL B 16 ? 0.3721 0.4933 0.6731 -0.1579 0.0244  0.1182  16 VAL B N   
534 C CA  . VAL B 16 ? 0.3709 0.5302 0.7018 -0.1676 0.0471  0.1490  16 VAL B CA  
535 C C   . VAL B 16 ? 0.4974 0.6056 0.8410 -0.1814 0.0672  0.1782  16 VAL B C   
536 O O   . VAL B 16 ? 0.6722 0.7861 1.0009 -0.1707 0.0898  0.2134  16 VAL B O   
537 C CB  . VAL B 16 ? 0.3863 0.5843 0.6792 -0.1354 0.0564  0.1619  16 VAL B CB  
538 C CG1 . VAL B 16 ? 0.5131 0.7413 0.8168 -0.1372 0.0874  0.1987  16 VAL B CG1 
539 C CG2 . VAL B 16 ? 0.3876 0.6302 0.6836 -0.1248 0.0408  0.1364  16 VAL B CG2 
549 N N   . ORN C 1  ? 0.6456 0.4638 0.3280 0.1259  -0.0725 -0.0804 1  ORN C N   
550 C CA  . ORN C 1  ? 0.6125 0.4586 0.2987 0.1375  -0.0261 -0.0664 1  ORN C CA  
551 C CB  . ORN C 1  ? 0.6094 0.4756 0.2985 0.1267  -0.0271 -0.0459 1  ORN C CB  
552 C CG  . ORN C 1  ? 0.7689 0.5950 0.3722 0.1401  -0.0400 -0.0485 1  ORN C CG  
553 C CD  . ORN C 1  ? 0.7329 0.5372 0.2737 0.1594  0.0021  -0.0459 1  ORN C CD  
554 N NE  . ORN C 1  ? 0.7653 0.5988 0.3402 0.1508  0.0379  -0.0227 1  ORN C NE  
555 C C   . ORN C 1  ? 0.5612 0.4478 0.3229 0.1319  -0.0046 -0.0595 1  ORN C C   
556 O O   . ORN C 1  ? 0.5201 0.4204 0.3305 0.1156  -0.0252 -0.0569 1  ORN C O   
568 N N   . LYS C 2  ? 0.6008 0.5105 0.3721 0.1438  0.0382  -0.0549 2  LYS C N   
569 C CA  . LYS C 2  ? 0.5026 0.4567 0.3492 0.1385  0.0548  -0.0492 2  LYS C CA  
570 C C   . LYS C 2  ? 0.4921 0.4760 0.3796 0.1133  0.0538  -0.0273 2  LYS C C   
571 O O   . LYS C 2  ? 0.5130 0.4880 0.3703 0.1077  0.0585  -0.0152 2  LYS C O   
572 C CB  . LYS C 2  ? 0.6492 0.6283 0.5023 0.1577  0.0990  -0.0539 2  LYS C CB  
573 C CG  . LYS C 2  ? 0.6832 0.7174 0.6221 0.1519  0.1131  -0.0486 2  LYS C CG  
574 C CD  . LYS C 2  ? 0.7878 0.8454 0.7448 0.1830  0.1379  -0.0675 2  LYS C CD  
575 C CE  . LYS C 2  ? 1.1156 1.2296 1.1657 0.1800  0.1385  -0.0651 2  LYS C CE  
576 N NZ  . LYS C 2  ? 0.9145 1.0639 1.0114 0.1445  0.1435  -0.0415 2  LYS C NZ  
590 N N   . LEU C 3  ? 0.4182 0.4301 0.3674 0.1004  0.0433  -0.0234 3  LEU C N   
591 C CA  . LEU C 3  ? 0.3620 0.3980 0.3474 0.0803  0.0396  -0.0088 3  LEU C CA  
592 C C   . LEU C 3  ? 0.4265 0.4983 0.4636 0.0748  0.0639  -0.0027 3  LEU C C   
593 O O   . LEU C 3  ? 0.4208 0.5131 0.4952 0.0821  0.0661  -0.0104 3  LEU C O   
594 C CB  . LEU C 3  ? 0.3919 0.4338 0.4025 0.0673  0.0084  -0.0095 3  LEU C CB  
595 C CG  . LEU C 3  ? 0.5442 0.5887 0.5459 0.0555  -0.0104 -0.0039 3  LEU C CG  
596 C CD1 . LEU C 3  ? 0.4167 0.4762 0.4480 0.0397  -0.0312 -0.0029 3  LEU C CD1 
597 C CD2 . LEU C 3  ? 0.4705 0.5265 0.4784 0.0528  0.0018  0.0061  3  LEU C CD2 
609 N N   . VAL C 4  ? 0.4351 0.5116 0.4754 0.0616  0.0777  0.0110  4  VAL C N   
610 C CA  . VAL C 4  ? 0.4233 0.5323 0.5160 0.0479  0.0961  0.0179  4  VAL C CA  
611 C C   . VAL C 4  ? 0.3619 0.4697 0.4746 0.0305  0.0782  0.0241  4  VAL C C   
612 O O   . VAL C 4  ? 0.3720 0.4508 0.4477 0.0296  0.0713  0.0302  4  VAL C O   
613 C CB  . VAL C 4  ? 0.4305 0.5373 0.5037 0.0430  0.1323  0.0295  4  VAL C CB  
614 C CG1 . VAL C 4  ? 0.4221 0.5740 0.5621 0.0253  0.1516  0.0346  4  VAL C CG1 
615 C CG2 . VAL C 4  ? 0.5757 0.6733 0.6037 0.0652  0.1510  0.0214  4  VAL C CG2 
625 N N   . H7V C 5  ? 0.3272 0.4631 0.4923 0.0203  0.0688  0.0211  5  H7V C N   
626 C CA  . H7V C 5  ? 0.3062 0.4357 0.4817 0.0054  0.0539  0.0238  5  H7V C CA  
627 C C   . H7V C 5  ? 0.2706 0.4036 0.4718 -0.0129 0.0642  0.0301  5  H7V C C   
628 O O   . H7V C 5  ? 0.2840 0.4493 0.5279 -0.0212 0.0786  0.0312  5  H7V C O   
629 C CB  . H7V C 5  ? 0.3195 0.4632 0.5139 0.0050  0.0270  0.0156  5  H7V C CB  
630 C C01 . H7V C 5  ? 0.3950 0.5274 0.5567 0.0126  0.0101  0.0128  5  H7V C C01 
631 C C02 . H7V C 5  ? 0.4818 0.6040 0.6189 0.0244  0.0114  0.0112  5  H7V C C02 
632 C C03 . H7V C 5  ? 0.4012 0.5192 0.5147 0.0231  -0.0069 0.0103  5  H7V C C03 
633 C C04 . H7V C 5  ? 0.4980 0.6306 0.6260 0.0129  -0.0239 0.0102  5  H7V C C04 
634 C C05 . H7V C 5  ? 0.5402 0.6858 0.6902 0.0066  -0.0239 0.0095  5  H7V C C05 
635 C C06 . H7V C 5  ? 0.4396 0.5868 0.6168 0.0076  -0.0109 0.0092  5  H7V C C06 
636 C C07 . H7V C 5  ? 0.4245 0.5988 0.6401 0.0245  0.0738  0.0144  5  H7V C C07 
654 N N   . PHE C 6  ? 0.2715 0.3700 0.4491 -0.0208 0.0566  0.0342  6  PHE C N   
655 C CA  . PHE C 6  ? 0.2908 0.3749 0.4863 -0.0451 0.0631  0.0418  6  PHE C CA  
656 C C   . PHE C 6  ? 0.3320 0.3973 0.5280 -0.0490 0.0356  0.0313  6  PHE C C   
657 O O   . PHE C 6  ? 0.3408 0.3878 0.5026 -0.0311 0.0217  0.0245  6  PHE C O   
658 C CB  . PHE C 6  ? 0.3549 0.3891 0.5014 -0.0488 0.0790  0.0579  6  PHE C CB  
659 C CG  . PHE C 6  ? 0.5095 0.5551 0.6466 -0.0515 0.1116  0.0708  6  PHE C CG  
660 C CD1 . PHE C 6  ? 0.4776 0.5189 0.5713 -0.0268 0.1176  0.0693  6  PHE C CD1 
661 C CD2 . PHE C 6  ? 0.4681 0.5286 0.6362 -0.0806 0.1375  0.0843  6  PHE C CD2 
662 C CE1 . PHE C 6  ? 0.5431 0.5919 0.6165 -0.0258 0.1502  0.0785  6  PHE C CE1 
663 C CE2 . PHE C 6  ? 0.6714 0.7495 0.8273 -0.0824 0.1749  0.0963  6  PHE C CE2 
664 C CZ  . PHE C 6  ? 0.5917 0.6617 0.6954 -0.0525 0.1821  0.0924  6  PHE C CZ  
674 N N   . ALA C 7  ? 0.3393 0.4092 0.5720 -0.0721 0.0279  0.0287  7  ALA C N   
675 C CA  . ALA C 7  ? 0.3631 0.4003 0.5828 -0.0759 0.0021  0.0166  7  ALA C CA  
676 C C   . ALA C 7  ? 0.3554 0.3290 0.5493 -0.0922 0.0046  0.0255  7  ALA C C   
677 O O   . ALA C 7  ? 0.4011 0.3736 0.6219 -0.1225 0.0184  0.0391  7  ALA C O   
678 C CB  . ALA C 7  ? 0.4404 0.5118 0.7088 -0.0918 -0.0173 0.0054  7  ALA C CB  
684 N N   . GLU C 8  ? 0.4269 0.3484 0.5702 -0.0724 -0.0095 0.0179  8  GLU C N   
685 C CA  . GLU C 8  ? 0.4701 0.3134 0.5762 -0.0807 -0.0140 0.0251  8  GLU C CA  
686 C C   . GLU C 8  ? 0.5783 0.3803 0.6607 -0.0675 -0.0437 0.0010  8  GLU C C   
687 O O   . GLU C 8  ? 0.6033 0.3900 0.6483 -0.0316 -0.0520 -0.0111 8  GLU C O   
688 C CB  . GLU C 8  ? 0.6433 0.4541 0.6989 -0.0573 -0.0023 0.0395  8  GLU C CB  
689 C CG  . GLU C 8  ? 0.8842 0.6582 0.9223 -0.0821 0.0203  0.0684  8  GLU C CG  
690 C CD  . GLU C 8  ? 0.7702 0.4819 0.8080 -0.1190 0.0135  0.0771  8  GLU C CD  
691 O OE1 . GLU C 8  ? 1.0275 0.6586 1.0206 -0.1075 -0.0109 0.0703  8  GLU C OE1 
692 O OE2 . GLU C 8  ? 0.9530 0.6960 1.0368 -0.1600 0.0323  0.0904  8  GLU C OE2 
699 N N   . ORN C 9  ? 0.8303 0.6370 0.8298 0.0133  -0.1168 -0.1080 9  ORN C N   
700 C CA  . ORN C 9  ? 0.6676 0.4948 0.7027 -0.0048 -0.0967 -0.0770 9  ORN C CA  
701 C CB  . ORN C 9  ? 0.5825 0.4355 0.6688 -0.0464 -0.0972 -0.0637 9  ORN C CB  
702 C CG  . ORN C 9  ? 0.7414 0.5368 0.8389 -0.0816 -0.1063 -0.0569 9  ORN C CG  
703 C CD  . ORN C 9  ? 0.8672 0.6087 0.9407 -0.0816 -0.0907 -0.0362 9  ORN C CD  
704 N NE  . ORN C 9  ? 0.6374 0.4262 0.7440 -0.0960 -0.0612 -0.0091 9  ORN C NE  
705 C C   . ORN C 9  ? 0.5922 0.4871 0.6365 0.0145  -0.0783 -0.0691 9  ORN C C   
706 O O   . ORN C 9  ? 0.6711 0.6103 0.7114 0.0262  -0.0793 -0.0803 9  ORN C O   
716 N N   . ALA C 10 ? 0.5424 0.4428 0.5951 0.0147  -0.0615 -0.0478 10 ALA C N   
717 C CA  . ALA C 10 ? 0.4336 0.3900 0.4940 0.0296  -0.0485 -0.0408 10 ALA C CA  
718 C C   . ALA C 10 ? 0.4521 0.4361 0.5435 0.0082  -0.0346 -0.0214 10 ALA C C   
719 O O   . ALA C 10 ? 0.4135 0.3773 0.5205 -0.0143 -0.0287 -0.0103 10 ALA C O   
720 C CB  . ALA C 10 ? 0.4587 0.3985 0.4923 0.0588  -0.0466 -0.0397 10 ALA C CB  
726 N N   . ILE C 11 ? 0.3603 0.3932 0.4620 0.0143  -0.0292 -0.0187 11 ILE C N   
727 C CA  . ILE C 11 ? 0.3218 0.3784 0.4436 0.0050  -0.0168 -0.0048 11 ILE C CA  
728 C C   . ILE C 11 ? 0.3148 0.3622 0.4113 0.0210  -0.0094 0.0028  11 ILE C C   
729 O O   . ILE C 11 ? 0.3132 0.3698 0.3937 0.0396  -0.0167 -0.0038 11 ILE C O   
730 C CB  . ILE C 11 ? 0.2723 0.3723 0.4124 0.0016  -0.0222 -0.0071 11 ILE C CB  
731 C CG1 . ILE C 11 ? 0.3743 0.4806 0.5335 -0.0117 -0.0355 -0.0143 11 ILE C CG1 
732 C CG2 . ILE C 11 ? 0.3771 0.4923 0.5300 0.0002  -0.0119 0.0030  11 ILE C CG2 
733 C CD1 . ILE C 11 ? 0.4303 0.5673 0.5964 -0.0133 -0.0449 -0.0133 11 ILE C CD1 
745 N N   . ILE C 12 ? 0.2867 0.3181 0.3784 0.0147  0.0048  0.0160  12 ILE C N   
746 C CA  . ILE C 12 ? 0.2830 0.2988 0.3411 0.0292  0.0092  0.0239  12 ILE C CA  
747 C C   . ILE C 12 ? 0.4015 0.4410 0.4669 0.0255  0.0208  0.0281  12 ILE C C   
748 O O   . ILE C 12 ? 0.3584 0.4068 0.4463 0.0119  0.0361  0.0326  12 ILE C O   
749 C CB  . ILE C 12 ? 0.4194 0.3781 0.4434 0.0275  0.0168  0.0375  12 ILE C CB  
750 C CG1 . ILE C 12 ? 0.6534 0.5748 0.6723 0.0280  0.0035  0.0313  12 ILE C CG1 
751 C CG2 . ILE C 12 ? 0.5304 0.4687 0.5093 0.0482  0.0131  0.0442  12 ILE C CG2 
752 C CD1 . ILE C 12 ? 0.6879 0.6124 0.6929 0.0577  -0.0158 0.0164  12 ILE C CD1 
764 N N   . GLY C 13 ? 0.3140 0.3647 0.3626 0.0383  0.0122  0.0248  13 GLY C N   
765 C CA  . GLY C 13 ? 0.2867 0.3464 0.3313 0.0386  0.0190  0.0249  13 GLY C CA  
766 C C   . GLY C 13 ? 0.3618 0.3932 0.3578 0.0513  0.0201  0.0298  13 GLY C C   
767 O O   . GLY C 13 ? 0.4804 0.5080 0.4569 0.0630  0.0014  0.0275  13 GLY C O   
771 N N   . LEU C 14 ? 0.3618 0.3759 0.3370 0.0501  0.0424  0.0371  14 LEU C N   
772 C CA  . LEU C 14 ? 0.5780 0.5573 0.4919 0.0618  0.0475  0.0438  14 LEU C CA  
773 C C   . LEU C 14 ? 0.5259 0.5102 0.4223 0.0698  0.0532  0.0339  14 LEU C C   
774 O O   . LEU C 14 ? 0.4920 0.5020 0.4247 0.0664  0.0644  0.0262  14 LEU C O   
775 C CB  . LEU C 14 ? 0.6284 0.5764 0.5161 0.0531  0.0740  0.0622  14 LEU C CB  
776 C CG  . LEU C 14 ? 0.6513 0.5708 0.5415 0.0440  0.0693  0.0738  14 LEU C CG  
777 C CD1 . LEU C 14 ? 0.6605 0.5690 0.5401 0.0633  0.0350  0.0664  14 LEU C CD1 
778 C CD2 . LEU C 14 ? 0.7462 0.6929 0.6991 0.0220  0.0784  0.0716  14 LEU C CD2 
790 N N   . MET C 15 ? 0.5855 0.5398 0.4213 0.0838  0.0432  0.0327  15 MET C N   
791 C CA  . MET C 15 ? 0.5406 0.4881 0.3487 0.0943  0.0415  0.0184  15 MET C CA  
792 C C   . MET C 15 ? 0.7333 0.6502 0.4748 0.1050  0.0691  0.0235  15 MET C C   
793 O O   . MET C 15 ? 0.6817 0.5726 0.3825 0.1037  0.0818  0.0415  15 MET C O   
794 C CB  . MET C 15 ? 0.5438 0.4840 0.3347 0.0993  0.0011  0.0074  15 MET C CB  
795 C CG  . MET C 15 ? 0.5622 0.5401 0.4179 0.0849  -0.0220 0.0007  15 MET C CG  
796 S SD  . MET C 15 ? 0.7368 0.7209 0.5813 0.0848  -0.0657 -0.0055 15 MET C SD  
797 C CE  . MET C 15 ? 0.7813 0.7315 0.5825 0.0859  -0.0863 -0.0229 15 MET C CE  
807 N N   . VAL C 16 ? 0.6446 0.5603 0.3697 0.1170  0.0788  0.0072  16 VAL C N   
808 C CA  . VAL C 16 ? 0.7659 0.6583 0.4224 0.1326  0.1089  0.0048  16 VAL C CA  
809 C C   . VAL C 16 ? 0.6880 0.5519 0.3030 0.1506  0.0796  -0.0211 16 VAL C C   
810 O O   . VAL C 16 ? 0.7226 0.5931 0.3525 0.1627  0.0862  -0.0406 16 VAL C O   
811 C CB  . VAL C 16 ? 0.6889 0.6210 0.3865 0.1300  0.1563  0.0077  16 VAL C CB  
812 C CG1 . VAL C 16 ? 0.7445 0.6594 0.3697 0.1438  0.1924  0.0085  16 VAL C CG1 
813 C CG2 . VAL C 16 ? 0.7706 0.7282 0.5226 0.1033  0.1718  0.0317  16 VAL C CG2 
# 
