data_8YUK
# 
_entry.id   8YUK 
# 
_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   8YUK         pdb_00008yuk 10.2210/pdb8yuk/pdb 
WWPDB D_1300046417 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-04-02 
_pdbx_audit_revision_history.part_number         ? 
# 
_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_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8YUK 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-27 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBC 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_contact_author.id 
_pdbx_contact_author.email 
_pdbx_contact_author.name_first 
_pdbx_contact_author.name_last 
_pdbx_contact_author.name_mi 
_pdbx_contact_author.role 
_pdbx_contact_author.identifier_ORCID 
2 sxjbsw007@163.com Xia Yang ? 'principal investigator/group leader' 0000-0003-2360-060X 
3 feisun@ibp.ac.cn  Fei Sun  ? 'principal investigator/group leader' 0000-0002-0351-5144 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Zhu, Y.'  1 ? 
'Yang, X.' 2 ? 
'Sun, F.'  3 ? 
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Structure of a triple-helix region of human collagen type VII' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_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, Y.'  1 ? 
primary 'Yang, X.' 2 ? 
primary 'Sun, F.'  3 ? 
# 
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 'A triple-helix region of human collagen type VII' 2601.826 3  ? ? ? ? 
2 water   nat water                                              18.015   92 ? ? ? ? 
# 
_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       '(ACE)P(HYP)GP(HYP)GLPGERGLRGEPGP(HYP)GP(HYP)GP(HYP)G' 
_entity_poly.pdbx_seq_one_letter_code_can   XPPGPPGLPGERGLRGEPGPPGPPGPPG 
_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  ACE n 
1 2  PRO n 
1 3  HYP n 
1 4  GLY n 
1 5  PRO n 
1 6  HYP n 
1 7  GLY n 
1 8  LEU n 
1 9  PRO n 
1 10 GLY n 
1 11 GLU n 
1 12 ARG n 
1 13 GLY n 
1 14 LEU n 
1 15 ARG n 
1 16 GLY n 
1 17 GLU n 
1 18 PRO n 
1 19 GLY n 
1 20 PRO n 
1 21 HYP n 
1 22 GLY n 
1 23 PRO n 
1 24 HYP n 
1 25 GLY n 
1 26 PRO n 
1 27 HYP n 
1 28 GLY n 
# 
_pdbx_entity_src_syn.entity_id              1 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       28 
_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 
ACE non-polymer         . 'ACETYL GROUP'   ?              'C2 H4 O'        44.053  
ARG 'L-peptide linking' y ARGININE         ?              'C6 H15 N4 O2 1' 175.209 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'  ?              'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE          ?              'C2 H5 N O2'     75.067  
HOH non-polymer         . WATER            ?              'H2 O'           18.015  
HYP 'L-peptide linking' n 4-HYDROXYPROLINE HYDROXYPROLINE 'C5 H9 N O3'     131.130 
LEU 'L-peptide linking' y LEUCINE          ?              'C6 H13 N O2'    131.173 
PRO 'L-peptide linking' y PROLINE          ?              'C5 H9 N O2'     115.130 
# 
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  ACE 1  1  1  ACE ACE A . n 
A 1 2  PRO 2  2  2  PRO PRO A . n 
A 1 3  HYP 3  3  3  HYP HYP A . n 
A 1 4  GLY 4  4  4  GLY GLY A . n 
A 1 5  PRO 5  5  5  PRO PRO A . n 
A 1 6  HYP 6  6  6  HYP HYP A . n 
A 1 7  GLY 7  7  7  GLY GLY A . n 
A 1 8  LEU 8  8  8  LEU LEU A . n 
A 1 9  PRO 9  9  9  PRO PRO A . n 
A 1 10 GLY 10 10 10 GLY GLY A . n 
A 1 11 GLU 11 11 11 GLU GLU A . n 
A 1 12 ARG 12 12 12 ARG ARG 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 ARG 15 15 15 ARG ARG A . n 
A 1 16 GLY 16 16 16 GLY GLY A . n 
A 1 17 GLU 17 17 17 GLU GLU A . n 
A 1 18 PRO 18 18 18 PRO PRO A . n 
A 1 19 GLY 19 19 19 GLY GLY A . n 
A 1 20 PRO 20 20 20 PRO PRO A . n 
A 1 21 HYP 21 21 21 HYP HYP A . n 
A 1 22 GLY 22 22 22 GLY GLY A . n 
A 1 23 PRO 23 23 23 PRO PRO A . n 
A 1 24 HYP 24 24 24 HYP HYP A . n 
A 1 25 GLY 25 25 25 GLY GLY A . n 
A 1 26 PRO 26 26 26 PRO PRO A . n 
A 1 27 HYP 27 27 27 HYP HYP A . n 
A 1 28 GLY 28 28 28 GLY GLY A . n 
B 1 1  ACE 1  1  1  ACE ACE B . n 
B 1 2  PRO 2  2  2  PRO PRO B . n 
B 1 3  HYP 3  3  3  HYP HYP B . n 
B 1 4  GLY 4  4  4  GLY GLY B . n 
B 1 5  PRO 5  5  5  PRO PRO B . n 
B 1 6  HYP 6  6  6  HYP HYP B . n 
B 1 7  GLY 7  7  7  GLY GLY B . n 
B 1 8  LEU 8  8  8  LEU LEU B . n 
B 1 9  PRO 9  9  9  PRO PRO B . n 
B 1 10 GLY 10 10 10 GLY GLY B . n 
B 1 11 GLU 11 11 11 GLU GLU B . n 
B 1 12 ARG 12 12 12 ARG ARG 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 ARG 15 15 15 ARG ARG B . n 
B 1 16 GLY 16 16 16 GLY GLY B . n 
B 1 17 GLU 17 17 17 GLU GLU B . n 
B 1 18 PRO 18 18 18 PRO PRO B . n 
B 1 19 GLY 19 19 19 GLY GLY B . n 
B 1 20 PRO 20 20 20 PRO PRO B . n 
B 1 21 HYP 21 21 21 HYP HYP B . n 
B 1 22 GLY 22 22 22 GLY GLY B . n 
B 1 23 PRO 23 23 23 PRO PRO B . n 
B 1 24 HYP 24 24 24 HYP HYP B . n 
B 1 25 GLY 25 25 25 GLY GLY B . n 
B 1 26 PRO 26 26 26 PRO PRO B . n 
B 1 27 HYP 27 27 27 HYP HYP B . n 
B 1 28 GLY 28 28 28 GLY GLY B . n 
C 1 1  ACE 1  1  1  ACE ACE C . n 
C 1 2  PRO 2  2  2  PRO PRO C . n 
C 1 3  HYP 3  3  3  HYP HYP C . n 
C 1 4  GLY 4  4  4  GLY GLY C . n 
C 1 5  PRO 5  5  5  PRO PRO C . n 
C 1 6  HYP 6  6  6  HYP HYP C . n 
C 1 7  GLY 7  7  7  GLY GLY C . n 
C 1 8  LEU 8  8  8  LEU LEU C . n 
C 1 9  PRO 9  9  9  PRO PRO C . n 
C 1 10 GLY 10 10 10 GLY GLY C . n 
C 1 11 GLU 11 11 11 GLU GLU C . n 
C 1 12 ARG 12 12 12 ARG ARG 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 ARG 15 15 15 ARG ARG C . n 
C 1 16 GLY 16 16 16 GLY GLY C . n 
C 1 17 GLU 17 17 17 GLU GLU C . n 
C 1 18 PRO 18 18 18 PRO PRO C . n 
C 1 19 GLY 19 19 19 GLY GLY C . n 
C 1 20 PRO 20 20 20 PRO PRO C . n 
C 1 21 HYP 21 21 21 HYP HYP C . n 
C 1 22 GLY 22 22 22 GLY GLY C . n 
C 1 23 PRO 23 23 23 PRO PRO C . n 
C 1 24 HYP 24 24 24 HYP HYP C . n 
C 1 25 GLY 25 25 25 GLY GLY C . n 
C 1 26 PRO 26 26 26 PRO PRO C . n 
C 1 27 HYP 27 27 27 HYP HYP C . n 
C 1 28 GLY 28 28 28 GLY GLY 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 30 HOH HOH A . 
D 2 HOH 2  102 7  HOH HOH A . 
D 2 HOH 3  103 29 HOH HOH A . 
D 2 HOH 4  104 60 HOH HOH A . 
D 2 HOH 5  105 12 HOH HOH A . 
D 2 HOH 6  106 28 HOH HOH A . 
D 2 HOH 7  107 67 HOH HOH A . 
D 2 HOH 8  108 70 HOH HOH A . 
D 2 HOH 9  109 40 HOH HOH A . 
D 2 HOH 10 110 49 HOH HOH A . 
D 2 HOH 11 111 1  HOH HOH A . 
D 2 HOH 12 112 43 HOH HOH A . 
D 2 HOH 13 113 32 HOH HOH A . 
D 2 HOH 14 114 46 HOH HOH A . 
D 2 HOH 15 115 61 HOH HOH A . 
D 2 HOH 16 116 79 HOH HOH A . 
D 2 HOH 17 117 75 HOH HOH A . 
D 2 HOH 18 118 35 HOH HOH A . 
D 2 HOH 19 119 78 HOH HOH A . 
D 2 HOH 20 120 27 HOH HOH A . 
D 2 HOH 21 121 50 HOH HOH A . 
D 2 HOH 22 122 80 HOH HOH A . 
D 2 HOH 23 123 90 HOH HOH A . 
D 2 HOH 24 124 87 HOH HOH A . 
D 2 HOH 25 125 20 HOH HOH A . 
D 2 HOH 26 126 10 HOH HOH A . 
D 2 HOH 27 127 83 HOH HOH A . 
D 2 HOH 28 128 82 HOH HOH A . 
D 2 HOH 29 129 68 HOH HOH A . 
D 2 HOH 30 130 92 HOH HOH A . 
E 2 HOH 1  101 71 HOH HOH B . 
E 2 HOH 2  102 23 HOH HOH B . 
E 2 HOH 3  103 76 HOH HOH B . 
E 2 HOH 4  104 17 HOH HOH B . 
E 2 HOH 5  105 19 HOH HOH B . 
E 2 HOH 6  106 72 HOH HOH B . 
E 2 HOH 7  107 33 HOH HOH B . 
E 2 HOH 8  108 13 HOH HOH B . 
E 2 HOH 9  109 41 HOH HOH B . 
E 2 HOH 10 110 24 HOH HOH B . 
E 2 HOH 11 111 21 HOH HOH B . 
E 2 HOH 12 112 69 HOH HOH B . 
E 2 HOH 13 113 44 HOH HOH B . 
E 2 HOH 14 114 26 HOH HOH B . 
E 2 HOH 15 115 31 HOH HOH B . 
E 2 HOH 16 116 66 HOH HOH B . 
E 2 HOH 17 117 8  HOH HOH B . 
E 2 HOH 18 118 86 HOH HOH B . 
E 2 HOH 19 119 45 HOH HOH B . 
E 2 HOH 20 120 9  HOH HOH B . 
E 2 HOH 21 121 38 HOH HOH B . 
E 2 HOH 22 122 15 HOH HOH B . 
E 2 HOH 23 123 25 HOH HOH B . 
E 2 HOH 24 124 18 HOH HOH B . 
E 2 HOH 25 125 48 HOH HOH B . 
E 2 HOH 26 126 77 HOH HOH B . 
E 2 HOH 27 127 54 HOH HOH B . 
E 2 HOH 28 128 85 HOH HOH B . 
E 2 HOH 29 129 47 HOH HOH B . 
E 2 HOH 30 130 5  HOH HOH B . 
E 2 HOH 31 131 56 HOH HOH B . 
F 2 HOH 1  101 74 HOH HOH C . 
F 2 HOH 2  102 14 HOH HOH C . 
F 2 HOH 3  103 36 HOH HOH C . 
F 2 HOH 4  104 2  HOH HOH C . 
F 2 HOH 5  105 34 HOH HOH C . 
F 2 HOH 6  106 55 HOH HOH C . 
F 2 HOH 7  107 42 HOH HOH C . 
F 2 HOH 8  108 88 HOH HOH C . 
F 2 HOH 9  109 16 HOH HOH C . 
F 2 HOH 10 110 57 HOH HOH C . 
F 2 HOH 11 111 73 HOH HOH C . 
F 2 HOH 12 112 4  HOH HOH C . 
F 2 HOH 13 113 63 HOH HOH C . 
F 2 HOH 14 114 11 HOH HOH C . 
F 2 HOH 15 115 91 HOH HOH C . 
F 2 HOH 16 116 37 HOH HOH C . 
F 2 HOH 17 117 59 HOH HOH C . 
F 2 HOH 18 118 53 HOH HOH C . 
F 2 HOH 19 119 84 HOH HOH C . 
F 2 HOH 20 120 62 HOH HOH C . 
F 2 HOH 21 121 3  HOH HOH C . 
F 2 HOH 22 122 39 HOH HOH C . 
F 2 HOH 23 123 81 HOH HOH C . 
F 2 HOH 24 124 52 HOH HOH C . 
F 2 HOH 25 125 58 HOH HOH C . 
F 2 HOH 26 126 64 HOH HOH C . 
F 2 HOH 27 127 89 HOH HOH C . 
F 2 HOH 28 128 65 HOH HOH C . 
F 2 HOH 29 129 51 HOH HOH C . 
F 2 HOH 30 130 6  HOH HOH C . 
F 2 HOH 31 131 22 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 scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                    2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? BALBES  ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   91.47 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8YUK 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     18.851 
_cell.length_a_esd                 ? 
_cell.length_b                     19.248 
_cell.length_b_esd                 ? 
_cell.length_c                     78.038 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8YUK 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                4 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1 21 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_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                   8YUK 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             1.81 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          32.17 
_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    '0.2M Ammonium Nitrate, PH 6.3.' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            289 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         RIGAKU 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-03-27 
_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   1.5418 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU MICROMAX-007 HF' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.5418 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8YUK 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.78 
_reflns.d_resolution_low                               26 
_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                                     5180 
_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                           91.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                4.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          17.4 
_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                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.78 
_reflns_shell.d_res_low                                     1.84 
_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                             311 
_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                                  0.997 
_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                                  0.097 
_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                                 8YUK 
_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                            1.78 
_refine.ls_d_res_low                             26.00 
_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                     5165 
_refine.ls_number_reflns_R_free                  277 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    91.85 
_refine.ls_percent_reflns_R_free                 5.36 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1979 
_refine.ls_R_factor_R_free                       0.2417 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1955 
_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                          1.41 
_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                 18.74 
_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                            0.13 
_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        552 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             92 
_refine_hist.number_atoms_total               644 
_refine_hist.d_res_high                       1.78 
_refine_hist.d_res_low                        26.00 
# 
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' ? 0.015 ? ?   ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.425 ? ?   ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 4.380 ? 105 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.056 ? 75  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.015 ? 111 ? 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' 1.78 2.24  . . 107 2234 85.00 . . . . 0.1911 . . . . . . . . . . . 0.2457 
'X-RAY DIFFRACTION' 2.24 26.00 . . 170 2654 99.00 . . . . 0.1975 . . . . . . . . . . . 0.2400 
# 
_struct.entry_id                     8YUK 
_struct.title                        'Structure of a triple-helix region of human collagen type VII' 
_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        8YUK 
_struct_keywords.text            'collagen, STRUCTURAL PROTEIN' 
_struct_keywords.pdbx_keywords   'STRUCTURAL 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                    8YUK 
_struct_ref.pdbx_db_accession          8YUK 
_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 8YUK A 1 ? 28 ? 8YUK 1 ? 28 ? 1 28 
2 1 8YUK B 1 ? 28 ? 8YUK 1 ? 28 ? 1 28 
3 1 8YUK C 1 ? 28 ? 8YUK 1 ? 28 ? 1 28 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   trimeric 
_pdbx_struct_assembly.oligomeric_count     3 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 5560 ? 
1 MORE         -23  ? 
1 'SSA (A^2)'  5190 ? 
# 
_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   none 
_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]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_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 ACE 1  C ? ? ? 1_555 A PRO 2  N ? ? A ACE 1  A PRO 2  1_555 ? ? ? ? ? ? ? 1.331 ? ? 
covale2  covale both ? A PRO 2  C ? ? ? 1_555 A HYP 3  N ? ? A PRO 2  A HYP 3  1_555 ? ? ? ? ? ? ? 1.325 ? ? 
covale3  covale both ? A HYP 3  C ? ? ? 1_555 A GLY 4  N ? ? A HYP 3  A GLY 4  1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale4  covale both ? A PRO 5  C ? ? ? 1_555 A HYP 6  N ? ? A PRO 5  A HYP 6  1_555 ? ? ? ? ? ? ? 1.325 ? ? 
covale5  covale both ? A HYP 6  C ? ? ? 1_555 A GLY 7  N ? ? A HYP 6  A GLY 7  1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale6  covale both ? A PRO 20 C ? ? ? 1_555 A HYP 21 N ? ? A PRO 20 A HYP 21 1_555 ? ? ? ? ? ? ? 1.324 ? ? 
covale7  covale both ? A HYP 21 C ? ? ? 1_555 A GLY 22 N ? ? A HYP 21 A GLY 22 1_555 ? ? ? ? ? ? ? 1.332 ? ? 
covale8  covale both ? A PRO 23 C ? ? ? 1_555 A HYP 24 N ? ? A PRO 23 A HYP 24 1_555 ? ? ? ? ? ? ? 1.326 ? ? 
covale9  covale both ? A HYP 24 C ? ? ? 1_555 A GLY 25 N ? ? A HYP 24 A GLY 25 1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale10 covale both ? A PRO 26 C ? ? ? 1_555 A HYP 27 N ? ? A PRO 26 A HYP 27 1_555 ? ? ? ? ? ? ? 1.326 ? ? 
covale11 covale both ? A HYP 27 C ? ? ? 1_555 A GLY 28 N ? ? A HYP 27 A GLY 28 1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale12 covale both ? B ACE 1  C ? ? ? 1_555 B PRO 2  N ? ? B ACE 1  B PRO 2  1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale13 covale both ? B PRO 2  C ? ? ? 1_555 B HYP 3  N ? ? B PRO 2  B HYP 3  1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale14 covale both ? B HYP 3  C ? ? ? 1_555 B GLY 4  N ? ? B HYP 3  B GLY 4  1_555 ? ? ? ? ? ? ? 1.312 ? ? 
covale15 covale both ? B PRO 5  C ? ? ? 1_555 B HYP 6  N ? ? B PRO 5  B HYP 6  1_555 ? ? ? ? ? ? ? 1.346 ? ? 
covale16 covale both ? B HYP 6  C ? ? ? 1_555 B GLY 7  N ? ? B HYP 6  B GLY 7  1_555 ? ? ? ? ? ? ? 1.328 ? ? 
covale17 covale both ? B PRO 20 C ? ? ? 1_555 B HYP 21 N ? ? B PRO 20 B HYP 21 1_555 ? ? ? ? ? ? ? 1.325 ? ? 
covale18 covale both ? B HYP 21 C ? ? ? 1_555 B GLY 22 N ? ? B HYP 21 B GLY 22 1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale19 covale both ? B PRO 23 C ? ? ? 1_555 B HYP 24 N ? ? B PRO 23 B HYP 24 1_555 ? ? ? ? ? ? ? 1.325 ? ? 
covale20 covale both ? B HYP 24 C ? ? ? 1_555 B GLY 25 N ? ? B HYP 24 B GLY 25 1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale21 covale both ? B PRO 26 C ? ? ? 1_555 B HYP 27 N ? ? B PRO 26 B HYP 27 1_555 ? ? ? ? ? ? ? 1.330 ? ? 
covale22 covale both ? B HYP 27 C ? ? ? 1_555 B GLY 28 N ? ? B HYP 27 B GLY 28 1_555 ? ? ? ? ? ? ? 1.333 ? ? 
covale23 covale both ? C ACE 1  C ? ? ? 1_555 C PRO 2  N ? ? C ACE 1  C PRO 2  1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale24 covale both ? C PRO 2  C ? ? ? 1_555 C HYP 3  N ? ? C PRO 2  C HYP 3  1_555 ? ? ? ? ? ? ? 1.328 ? ? 
covale25 covale both ? C HYP 3  C ? ? ? 1_555 C GLY 4  N ? ? C HYP 3  C GLY 4  1_555 ? ? ? ? ? ? ? 1.328 ? ? 
covale26 covale both ? C PRO 5  C ? ? ? 1_555 C HYP 6  N ? ? C PRO 5  C HYP 6  1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale27 covale both ? C HYP 6  C ? ? ? 1_555 C GLY 7  N ? ? C HYP 6  C GLY 7  1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale28 covale both ? C PRO 20 C ? ? ? 1_555 C HYP 21 N ? ? C PRO 20 C HYP 21 1_555 ? ? ? ? ? ? ? 1.324 ? ? 
covale29 covale both ? C HYP 21 C ? ? ? 1_555 C GLY 22 N ? ? C HYP 21 C GLY 22 1_555 ? ? ? ? ? ? ? 1.330 ? ? 
covale30 covale both ? C PRO 23 C ? ? ? 1_555 C HYP 24 N ? ? C PRO 23 C HYP 24 1_555 ? ? ? ? ? ? ? 1.325 ? ? 
covale31 covale both ? C HYP 24 C ? ? ? 1_555 C GLY 25 N ? ? C HYP 24 C GLY 25 1_555 ? ? ? ? ? ? ? 1.334 ? ? 
covale32 covale both ? C PRO 26 C ? ? ? 1_555 C HYP 27 N ? ? C PRO 26 C HYP 27 1_555 ? ? ? ? ? ? ? 1.322 ? ? 
covale33 covale both ? C HYP 27 C ? ? ? 1_555 C GLY 28 N ? ? C HYP 27 C GLY 28 1_555 ? ? ? ? ? ? ? 1.328 ? ? 
# 
_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  HYP A 3  ? .   . . . HYP A 3  ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
2  HYP A 6  ? .   . . . HYP A 6  ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
3  HYP A 21 ? .   . . . HYP A 21 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
4  HYP A 24 ? .   . . . HYP A 24 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
5  HYP A 27 ? .   . . . HYP A 27 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
6  HYP B 3  ? .   . . . HYP B 3  ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
7  HYP B 6  ? .   . . . HYP B 6  ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
8  HYP B 21 ? .   . . . HYP B 21 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
9  HYP B 24 ? .   . . . HYP B 24 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
10 HYP B 27 ? .   . . . HYP B 27 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
11 HYP C 3  ? .   . . . HYP C 3  ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
12 HYP C 6  ? .   . . . HYP C 6  ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
13 HYP C 21 ? .   . . . HYP C 21 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
14 HYP C 24 ? .   . . . HYP C 24 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
15 HYP C 27 ? .   . . . HYP C 27 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
16 ACE A 1  ? PRO A 2 ? ACE A 1  ? 1_555 PRO A 2 ? 1_555 . . PRO 13 ACE None          'Terminal acetylation'       
17 ACE B 1  ? PRO B 2 ? ACE B 1  ? 1_555 PRO B 2 ? 1_555 . . PRO 13 ACE None          'Terminal acetylation'       
18 ACE C 1  ? PRO C 2 ? ACE C 1  ? 1_555 PRO C 2 ? 1_555 . . PRO 13 ACE None          'Terminal acetylation'       
# 
_pdbx_entry_details.entry_id                   8YUK 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O   A HOH 124 ? ? O B HOH 116 ? ? 1.93 
2 1 OD1 A HYP 21  ? ? O A HOH 101 ? ? 2.13 
3 1 O   B GLY 28  ? ? O B HOH 101 ? ? 2.15 
4 1 O   B HOH 127 ? ? O C HOH 108 ? ? 2.18 
5 1 OD1 B HYP 27  ? ? O B HOH 102 ? ? 2.19 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    NH1 
_pdbx_validate_symm_contact.auth_asym_id_1    B 
_pdbx_validate_symm_contact.auth_comp_id_1    ARG 
_pdbx_validate_symm_contact.auth_seq_id_1     15 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     101 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   1_655 
_pdbx_validate_symm_contact.dist              2.15 
# 
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 -8.7675  11.7859 44.5826 0.2225  ? 0.0145  ? 0.0389  ? 0.2165 ? 0.0141  ? 0.1381 ? 0.9504 ? 
0.0075  ? -0.9546 ? 0.1809 ? 0.0096  ? 1.0145 ? -0.0183 ? 0.0404  ? -0.0798 ? 0.1080  ? -0.0023 ? -0.0869 ? -0.1374 ? 0.1273  ? 
-0.0144 ? 
2  'X-RAY DIFFRACTION' ? refined -26.7105 9.9231  61.4207 0.1384  ? 0.0015  ? -0.0091 ? 0.1839 ? 0.0056  ? 0.1105 ? 3.7404 ? 
-0.0979 ? -3.6559 ? 1.3356 ? -1.1133 ? 5.7932 ? 0.0384  ? 0.1599  ? 0.0035  ? -0.2754 ? -0.1415 ? 0.1434  ? 0.1512  ? -0.1657 ? 
0.0418  ? 
3  'X-RAY DIFFRACTION' ? refined -35.8611 7.3570  80.4953 0.0370  ? 0.0006  ? -0.0268 ? 0.0385 ? -0.0173 ? 0.1087 ? 1.1433 ? 
-0.1492 ? -0.2337 ? 1.5264 ? 0.2520  ? 2.1836 ? -0.0930 ? -0.0615 ? -0.0489 ? 0.1471  ? -0.0322 ? 0.0894  ? 0.0303  ? -0.1890 ? 
0.0073  ? 
4  'X-RAY DIFFRACTION' ? refined -5.9783  6.6678  40.2221 0.2454  ? 0.0178  ? 0.0306  ? 0.3576 ? 0.0229  ? 0.1821 ? 1.1082 ? 
-0.2153 ? -1.9788 ? 0.7070 ? 0.9011  ? 4.0643 ? 0.0272  ? 0.0091  ? -0.1682 ? 0.1907  ? 0.1990  ? 0.1268  ? 0.1037  ? 0.0053  ? 
0.0317  ? 
5  'X-RAY DIFFRACTION' ? refined -14.7905 9.2681  56.7204 0.1650  ? -0.0179 ? 0.0785  ? 0.2273 ? -0.0281 ? 0.1472 ? 3.7367 ? 
-1.1715 ? -2.7706 ? 2.5333 ? 0.8243  ? 4.7180 ? -0.1147 ? -0.1894 ? 0.0647  ? -0.1057 ? -0.0007 ? -0.4033 ? -0.1327 ? 0.4067  ? 
-0.0698 ? 
6  'X-RAY DIFFRACTION' ? refined -24.6246 12.5932 66.2493 0.1401  ? 0.0015  ? 0.0113  ? 0.0888 ? 0.0076  ? 0.0770 ? 3.4843 ? 
0.8843  ? -3.7591 ? 2.3170 ? -0.5627 ? 5.7813 ? -0.0445 ? -0.0295 ? 0.0509  ? -0.2958 ? -0.0251 ? -0.2745 ? -0.0774 ? 0.2115  ? 
0.0103  ? 
7  'X-RAY DIFFRACTION' ? refined -40.2481 8.9990  80.6412 0.0350  ? 0.0556  ? -0.0590 ? 0.0452 ? 0.0533  ? 0.0537 ? 2.9411 ? 
0.3596  ? 1.0265  ? 3.9589 ? -0.5390 ? 4.0163 ? 0.0260  ? -0.3757 ? -0.0731 ? 0.3515  ? 0.0729  ? 0.2551  ? -0.0136 ? -0.4233 ? 
-0.4774 ? 
8  'X-RAY DIFFRACTION' ? refined -9.9284  9.7413  40.0783 0.2716  ? 0.0332  ? 0.0486  ? 0.2808 ? 0.0542  ? 0.1479 ? 1.9760 ? 
0.6543  ? -2.3057 ? 0.8830 ? -0.6929 ? 3.3286 ? 0.0326  ? 0.2292  ? -0.0104 ? -0.1339 ? -0.0965 ? 0.0317  ? -0.0238 ? 0.0025  ? 
-0.1365 ? 
9  'X-RAY DIFFRACTION' ? refined -21.8500 6.0668  61.0977 0.1857  ? 0.0154  ? 0.0506  ? 0.1201 ? -0.0255 ? 0.1044 ? 2.1377 ? 
-0.0847 ? -2.5306 ? 1.6061 ? 1.0090  ? 5.8523 ? -0.1676 ? 0.0417  ? -0.1526 ? -0.2969 ? 0.1171  ? -0.1027 ? 0.0471  ? 0.0695  ? 
0.0009  ? 
10 'X-RAY DIFFRACTION' ? refined -33.5064 10.8159 78.7579 -0.0157 ? 0.0282  ? -0.0102 ? 0.0135 ? 0.0000  ? 0.0742 ? 0.4002 ? 
-0.2329 ? -0.0402 ? 0.7314 ? -0.1481 ? 0.4179 ? -0.0298 ? -0.0401 ? -0.0474 ? 0.0522  ? 0.0466  ? 0.1217  ? -0.0228 ? -0.0463 ? 
0.0402  ? 
# 
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 2 through 13 )
;
2  'X-RAY DIFFRACTION' 2  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 14 through 18 )
;
3  'X-RAY DIFFRACTION' 3  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 19 through 28 )
;
4  'X-RAY DIFFRACTION' 4  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 2 through 8 )
;
5  'X-RAY DIFFRACTION' 5  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 9 through 13 )
;
6  'X-RAY DIFFRACTION' 6  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 14 through 18 )
;
7  'X-RAY DIFFRACTION' 7  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 19 through 28 )
;
8  'X-RAY DIFFRACTION' 8  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 2 through 13 )
;
9  'X-RAY DIFFRACTION' 9  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 14 through 18 )
;
10 'X-RAY DIFFRACTION' 10 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 19 through 28 )
;
# 
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 
ACE C    C N N 1   
ACE O    O N N 2   
ACE CH3  C N N 3   
ACE H    H N N 4   
ACE H1   H N N 5   
ACE H2   H N N 6   
ACE H3   H N N 7   
ARG N    N N N 8   
ARG CA   C N S 9   
ARG C    C N N 10  
ARG O    O N N 11  
ARG CB   C N N 12  
ARG CG   C N N 13  
ARG CD   C N N 14  
ARG NE   N N N 15  
ARG CZ   C N N 16  
ARG NH1  N N N 17  
ARG NH2  N N N 18  
ARG OXT  O N N 19  
ARG H    H N N 20  
ARG H2   H N N 21  
ARG HA   H N N 22  
ARG HB2  H N N 23  
ARG HB3  H N N 24  
ARG HG2  H N N 25  
ARG HG3  H N N 26  
ARG HD2  H N N 27  
ARG HD3  H N N 28  
ARG HE   H N N 29  
ARG HH11 H N N 30  
ARG HH12 H N N 31  
ARG HH21 H N N 32  
ARG HH22 H N N 33  
ARG HXT  H N N 34  
GLU N    N N N 35  
GLU CA   C N S 36  
GLU C    C N N 37  
GLU O    O N N 38  
GLU CB   C N N 39  
GLU CG   C N N 40  
GLU CD   C N N 41  
GLU OE1  O N N 42  
GLU OE2  O N N 43  
GLU OXT  O N N 44  
GLU H    H N N 45  
GLU H2   H N N 46  
GLU HA   H N N 47  
GLU HB2  H N N 48  
GLU HB3  H N N 49  
GLU HG2  H N N 50  
GLU HG3  H N N 51  
GLU HE2  H N N 52  
GLU HXT  H N N 53  
GLY N    N N N 54  
GLY CA   C N N 55  
GLY C    C N N 56  
GLY O    O N N 57  
GLY OXT  O N N 58  
GLY H    H N N 59  
GLY H2   H N N 60  
GLY HA2  H N N 61  
GLY HA3  H N N 62  
GLY HXT  H N N 63  
HOH O    O N N 64  
HOH H1   H N N 65  
HOH H2   H N N 66  
HYP N    N N N 67  
HYP CA   C N S 68  
HYP C    C N N 69  
HYP O    O N N 70  
HYP CB   C N N 71  
HYP CG   C N R 72  
HYP CD   C N N 73  
HYP OD1  O N N 74  
HYP OXT  O N N 75  
HYP H    H N N 76  
HYP HA   H N N 77  
HYP HB2  H N N 78  
HYP HB3  H N N 79  
HYP HG   H N N 80  
HYP HD22 H N N 81  
HYP HD23 H N N 82  
HYP HD1  H N N 83  
HYP HXT  H N N 84  
LEU N    N N N 85  
LEU CA   C N S 86  
LEU C    C N N 87  
LEU O    O N N 88  
LEU CB   C N N 89  
LEU CG   C N N 90  
LEU CD1  C N N 91  
LEU CD2  C N N 92  
LEU OXT  O N N 93  
LEU H    H N N 94  
LEU H2   H N N 95  
LEU HA   H N N 96  
LEU HB2  H N N 97  
LEU HB3  H N N 98  
LEU HG   H N N 99  
LEU HD11 H N N 100 
LEU HD12 H N N 101 
LEU HD13 H N N 102 
LEU HD21 H N N 103 
LEU HD22 H N N 104 
LEU HD23 H N N 105 
LEU HXT  H N N 106 
PRO N    N N N 107 
PRO CA   C N S 108 
PRO C    C N N 109 
PRO O    O N N 110 
PRO CB   C N N 111 
PRO CG   C N N 112 
PRO CD   C N N 113 
PRO OXT  O N N 114 
PRO H    H N N 115 
PRO HA   H N N 116 
PRO HB2  H N N 117 
PRO HB3  H N N 118 
PRO HG2  H N N 119 
PRO HG3  H N N 120 
PRO HD2  H N N 121 
PRO HD3  H N N 122 
PRO HXT  H N N 123 
# 
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 
ACE C   O    doub N N 1   
ACE C   CH3  sing N N 2   
ACE C   H    sing N N 3   
ACE CH3 H1   sing N N 4   
ACE CH3 H2   sing N N 5   
ACE CH3 H3   sing N N 6   
ARG N   CA   sing N N 7   
ARG N   H    sing N N 8   
ARG N   H2   sing N N 9   
ARG CA  C    sing N N 10  
ARG CA  CB   sing N N 11  
ARG CA  HA   sing N N 12  
ARG C   O    doub N N 13  
ARG C   OXT  sing N N 14  
ARG CB  CG   sing N N 15  
ARG CB  HB2  sing N N 16  
ARG CB  HB3  sing N N 17  
ARG CG  CD   sing N N 18  
ARG CG  HG2  sing N N 19  
ARG CG  HG3  sing N N 20  
ARG CD  NE   sing N N 21  
ARG CD  HD2  sing N N 22  
ARG CD  HD3  sing N N 23  
ARG NE  CZ   sing N N 24  
ARG NE  HE   sing N N 25  
ARG CZ  NH1  sing N N 26  
ARG CZ  NH2  doub N N 27  
ARG NH1 HH11 sing N N 28  
ARG NH1 HH12 sing N N 29  
ARG NH2 HH21 sing N N 30  
ARG NH2 HH22 sing N N 31  
ARG OXT HXT  sing N N 32  
GLU N   CA   sing N N 33  
GLU N   H    sing N N 34  
GLU N   H2   sing N N 35  
GLU CA  C    sing N N 36  
GLU CA  CB   sing N N 37  
GLU CA  HA   sing N N 38  
GLU C   O    doub N N 39  
GLU C   OXT  sing N N 40  
GLU CB  CG   sing N N 41  
GLU CB  HB2  sing N N 42  
GLU CB  HB3  sing N N 43  
GLU CG  CD   sing N N 44  
GLU CG  HG2  sing N N 45  
GLU CG  HG3  sing N N 46  
GLU CD  OE1  doub N N 47  
GLU CD  OE2  sing N N 48  
GLU OE2 HE2  sing N N 49  
GLU OXT HXT  sing N N 50  
GLY N   CA   sing N N 51  
GLY N   H    sing N N 52  
GLY N   H2   sing N N 53  
GLY CA  C    sing N N 54  
GLY CA  HA2  sing N N 55  
GLY CA  HA3  sing N N 56  
GLY C   O    doub N N 57  
GLY C   OXT  sing N N 58  
GLY OXT HXT  sing N N 59  
HOH O   H1   sing N N 60  
HOH O   H2   sing N N 61  
HYP N   CA   sing N N 62  
HYP N   CD   sing N N 63  
HYP N   H    sing N N 64  
HYP CA  C    sing N N 65  
HYP CA  CB   sing N N 66  
HYP CA  HA   sing N N 67  
HYP C   O    doub N N 68  
HYP C   OXT  sing N N 69  
HYP CB  CG   sing N N 70  
HYP CB  HB2  sing N N 71  
HYP CB  HB3  sing N N 72  
HYP CG  CD   sing N N 73  
HYP CG  OD1  sing N N 74  
HYP CG  HG   sing N N 75  
HYP CD  HD22 sing N N 76  
HYP CD  HD23 sing N N 77  
HYP OD1 HD1  sing N N 78  
HYP OXT HXT  sing N N 79  
LEU N   CA   sing N N 80  
LEU N   H    sing N N 81  
LEU N   H2   sing N N 82  
LEU CA  C    sing N N 83  
LEU CA  CB   sing N N 84  
LEU CA  HA   sing N N 85  
LEU C   O    doub N N 86  
LEU C   OXT  sing N N 87  
LEU CB  CG   sing N N 88  
LEU CB  HB2  sing N N 89  
LEU CB  HB3  sing N N 90  
LEU CG  CD1  sing N N 91  
LEU CG  CD2  sing N N 92  
LEU CG  HG   sing N N 93  
LEU CD1 HD11 sing N N 94  
LEU CD1 HD12 sing N N 95  
LEU CD1 HD13 sing N N 96  
LEU CD2 HD21 sing N N 97  
LEU CD2 HD22 sing N N 98  
LEU CD2 HD23 sing N N 99  
LEU OXT HXT  sing N N 100 
PRO N   CA   sing N N 101 
PRO N   CD   sing N N 102 
PRO N   H    sing N N 103 
PRO CA  C    sing N N 104 
PRO CA  CB   sing N N 105 
PRO CA  HA   sing N N 106 
PRO C   O    doub N N 107 
PRO C   OXT  sing N N 108 
PRO CB  CG   sing N N 109 
PRO CB  HB2  sing N N 110 
PRO CB  HB3  sing N N 111 
PRO CG  CD   sing N N 112 
PRO CG  HG2  sing N N 113 
PRO CG  HG3  sing N N 114 
PRO CD  HD2  sing N N 115 
PRO CD  HD3  sing N N 116 
PRO OXT HXT  sing N N 117 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_atom_sites.entry_id                    8YUK 
_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]   0.053048 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.001361 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.051953 
_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]   0.012818 
_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 
N 
O 
# 
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   C C   . ACE A 1 1  ? 3.362   8.156  30.588 1.00 16.94 ? 1   ACE A C   1 
HETATM 2   O O   . ACE A 1 1  ? 3.026   7.021  30.913 1.00 17.75 ? 1   ACE A O   1 
HETATM 3   C CH3 . ACE A 1 1  ? 3.501   8.560  29.149 1.00 17.36 ? 1   ACE A CH3 1 
ATOM   4   N N   . PRO A 1 2  ? 3.624   9.102  31.487 1.00 22.63 ? 2   PRO A N   1 
ATOM   5   C CA  . PRO A 1 2  ? 3.523   8.852  32.929 1.00 18.43 ? 2   PRO A CA  1 
ATOM   6   C C   . PRO A 1 2  ? 2.080   8.646  33.390 1.00 18.03 ? 2   PRO A C   1 
ATOM   7   O O   . PRO A 1 2  ? 1.144   9.084  32.723 1.00 18.56 ? 2   PRO A O   1 
ATOM   8   C CB  . PRO A 1 2  ? 4.122   10.130 33.549 1.00 21.33 ? 2   PRO A CB  1 
ATOM   9   C CG  . PRO A 1 2  ? 4.741   10.892 32.379 1.00 23.74 ? 2   PRO A CG  1 
ATOM   10  C CD  . PRO A 1 2  ? 3.885   10.523 31.220 1.00 23.43 ? 2   PRO A CD  1 
HETATM 11  N N   . HYP A 1 3  ? 1.901   7.976  34.519 1.00 19.64 ? 3   HYP A N   1 
HETATM 12  C CA  . HYP A 1 3  ? 0.542   7.770  35.061 1.00 17.49 ? 3   HYP A CA  1 
HETATM 13  C C   . HYP A 1 3  ? -0.184  9.140  35.380 1.00 16.54 ? 3   HYP A C   1 
HETATM 14  O O   . HYP A 1 3  ? 0.487   10.129 35.723 1.00 18.74 ? 3   HYP A O   1 
HETATM 15  C CB  . HYP A 1 3  ? 0.667   6.890  36.320 1.00 20.30 ? 3   HYP A CB  1 
HETATM 16  C CG  . HYP A 1 3  ? 2.033   6.204  36.185 1.00 19.73 ? 3   HYP A CG  1 
HETATM 17  C CD  . HYP A 1 3  ? 2.830   7.302  35.454 1.00 21.13 ? 3   HYP A CD  1 
HETATM 18  O OD1 . HYP A 1 3  ? 2.032   4.994  35.501 1.00 27.19 ? 3   HYP A OD1 1 
ATOM   19  N N   . GLY A 1 4  ? -1.505  9.171  35.239 1.00 17.79 ? 4   GLY A N   1 
ATOM   20  C CA  . GLY A 1 4  ? -2.275  10.367 35.528 1.00 16.29 ? 4   GLY A CA  1 
ATOM   21  C C   . GLY A 1 4  ? -2.203  10.751 36.994 1.00 16.84 ? 4   GLY A C   1 
ATOM   22  O O   . GLY A 1 4  ? -1.789  9.946  37.827 1.00 16.25 ? 4   GLY A O   1 
ATOM   23  N N   . PRO A 1 5  ? -2.599  11.989 37.321 1.00 16.12 ? 5   PRO A N   1 
ATOM   24  C CA  . PRO A 1 5  ? -2.567  12.425 38.718 1.00 18.25 ? 5   PRO A CA  1 
ATOM   25  C C   . PRO A 1 5  ? -3.651  11.736 39.529 1.00 16.79 ? 5   PRO A C   1 
ATOM   26  O O   . PRO A 1 5  ? -4.651  11.282 38.967 1.00 15.72 ? 5   PRO A O   1 
ATOM   27  C CB  . PRO A 1 5  ? -2.828  13.929 38.622 1.00 18.07 ? 5   PRO A CB  1 
ATOM   28  C CG  . PRO A 1 5  ? -3.650  14.066 37.383 1.00 20.17 ? 5   PRO A CG  1 
ATOM   29  C CD  . PRO A 1 5  ? -3.085  13.052 36.424 1.00 18.85 ? 5   PRO A CD  1 
HETATM 30  N N   . HYP A 1 6  ? -3.453  11.657 40.837 1.00 19.05 ? 6   HYP A N   1 
HETATM 31  C CA  . HYP A 1 6  ? -4.459  11.040 41.721 1.00 17.08 ? 6   HYP A CA  1 
HETATM 32  C C   . HYP A 1 6  ? -5.829  11.803 41.718 1.00 16.66 ? 6   HYP A C   1 
HETATM 33  O O   . HYP A 1 6  ? -5.849  13.047 41.708 1.00 16.15 ? 6   HYP A O   1 
HETATM 34  C CB  . HYP A 1 6  ? -3.861  10.989 43.131 1.00 17.94 ? 6   HYP A CB  1 
HETATM 35  C CG  . HYP A 1 6  ? -2.349  10.972 42.899 1.00 21.52 ? 6   HYP A CG  1 
HETATM 36  C CD  . HYP A 1 6  ? -2.243  11.877 41.656 1.00 18.02 ? 6   HYP A CD  1 
HETATM 37  O OD1 . HYP A 1 6  ? -1.795  9.712  42.699 1.00 21.88 ? 6   HYP A OD1 1 
ATOM   38  N N   . GLY A 1 7  ? -6.926  11.052 41.716 1.00 15.37 ? 7   GLY A N   1 
ATOM   39  C CA  . GLY A 1 7  ? -8.245  11.632 41.874 1.00 20.45 ? 7   GLY A CA  1 
ATOM   40  C C   . GLY A 1 7  ? -8.400  12.308 43.225 1.00 15.73 ? 7   GLY A C   1 
ATOM   41  O O   . GLY A 1 7  ? -7.632  12.049 44.152 1.00 16.75 ? 7   GLY A O   1 
ATOM   42  N N   . LEU A 1 8  ? -9.396  13.182 43.331 1.00 18.56 ? 8   LEU A N   1 
ATOM   43  C CA  . LEU A 1 8  ? -9.619  13.934 44.551 1.00 15.21 ? 8   LEU A CA  1 
ATOM   44  C C   . LEU A 1 8  ? -10.140 13.020 45.659 1.00 16.95 ? 8   LEU A C   1 
ATOM   45  O O   . LEU A 1 8  ? -10.673 11.941 45.389 1.00 17.31 ? 8   LEU A O   1 
ATOM   46  C CB  . LEU A 1 8  ? -10.600 15.074 44.288 1.00 18.21 ? 8   LEU A CB  1 
ATOM   47  C CG  . LEU A 1 8  ? -10.025 16.210 43.434 1.00 18.09 ? 8   LEU A CG  1 
ATOM   48  C CD1 . LEU A 1 8  ? -11.126 16.966 42.707 1.00 17.80 ? 8   LEU A CD1 1 
ATOM   49  C CD2 . LEU A 1 8  ? -9.184  17.161 44.281 1.00 20.40 ? 8   LEU A CD2 1 
ATOM   50  N N   . PRO A 1 9  ? -9.977  13.424 46.921 1.00 16.33 ? 9   PRO A N   1 
ATOM   51  C CA  . PRO A 1 9  ? -10.469 12.596 48.026 1.00 17.56 ? 9   PRO A CA  1 
ATOM   52  C C   . PRO A 1 9  ? -11.978 12.416 47.960 1.00 15.78 ? 9   PRO A C   1 
ATOM   53  O O   . PRO A 1 9  ? -12.714 13.302 47.517 1.00 15.28 ? 9   PRO A O   1 
ATOM   54  C CB  . PRO A 1 9  ? -10.061 13.392 49.270 1.00 18.41 ? 9   PRO A CB  1 
ATOM   55  C CG  . PRO A 1 9  ? -8.865  14.162 48.825 1.00 19.28 ? 9   PRO A CG  1 
ATOM   56  C CD  . PRO A 1 9  ? -9.172  14.558 47.412 1.00 19.26 ? 9   PRO A CD  1 
ATOM   57  N N   . GLY A 1 10 ? -12.435 11.254 48.420 1.00 21.92 ? 10  GLY A N   1 
ATOM   58  C CA  . GLY A 1 10 ? -13.855 10.979 48.445 1.00 16.21 ? 10  GLY A CA  1 
ATOM   59  C C   . GLY A 1 10 ? -14.612 11.891 49.393 1.00 18.79 ? 10  GLY A C   1 
ATOM   60  O O   . GLY A 1 10 ? -14.058 12.493 50.317 1.00 20.63 ? 10  GLY A O   1 
ATOM   61  N N   . GLU A 1 11 ? -15.914 11.992 49.144 1.00 14.25 ? 11  GLU A N   1 
ATOM   62  C CA  . GLU A 1 11 ? -16.794 12.775 49.999 1.00 17.31 ? 11  GLU A CA  1 
ATOM   63  C C   . GLU A 1 11 ? -16.922 12.124 51.373 1.00 14.23 ? 11  GLU A C   1 
ATOM   64  O O   . GLU A 1 11 ? -16.964 10.897 51.492 1.00 16.86 ? 11  GLU A O   1 
ATOM   65  C CB  . GLU A 1 11 ? -18.168 12.906 49.340 1.00 18.58 ? 11  GLU A CB  1 
ATOM   66  C CG  . GLU A 1 11 ? -19.247 13.492 50.223 1.00 16.31 ? 11  GLU A CG  1 
ATOM   67  C CD  . GLU A 1 11 ? -20.610 13.494 49.557 1.00 20.32 ? 11  GLU A CD  1 
ATOM   68  O OE1 . GLU A 1 11 ? -20.843 12.654 48.664 1.00 25.72 ? 11  GLU A OE1 1 
ATOM   69  O OE2 . GLU A 1 11 ? -21.447 14.346 49.919 1.00 19.95 ? 11  GLU A OE2 1 
ATOM   70  N N   . ARG A 1 12 ? -16.963 12.950 52.418 1.00 14.36 ? 12  ARG A N   1 
ATOM   71  C CA  . ARG A 1 12 ? -17.191 12.429 53.760 1.00 14.96 ? 12  ARG A CA  1 
ATOM   72  C C   . ARG A 1 12 ? -18.513 11.673 53.827 1.00 14.14 ? 12  ARG A C   1 
ATOM   73  O O   . ARG A 1 12 ? -19.494 12.041 53.176 1.00 15.79 ? 12  ARG A O   1 
ATOM   74  C CB  . ARG A 1 12 ? -17.168 13.562 54.789 1.00 16.96 ? 12  ARG A CB  1 
ATOM   75  C CG  . ARG A 1 12 ? -17.440 13.093 56.209 1.00 14.70 ? 12  ARG A CG  1 
ATOM   76  C CD  . ARG A 1 12 ? -17.335 14.209 57.233 1.00 17.35 ? 12  ARG A CD  1 
ATOM   77  N NE  . ARG A 1 12 ? -16.747 13.712 58.472 1.00 19.79 ? 12  ARG A NE  1 
ATOM   78  C CZ  . ARG A 1 12 ? -16.359 14.479 59.481 1.00 22.75 ? 12  ARG A CZ  1 
ATOM   79  N NH1 . ARG A 1 12 ? -16.405 15.799 59.404 1.00 23.13 ? 12  ARG A NH1 1 
ATOM   80  N NH2 . ARG A 1 12 ? -15.899 13.908 60.591 1.00 25.58 ? 12  ARG A NH2 1 
ATOM   81  N N   . GLY A 1 13 ? -18.524 10.594 54.603 1.00 14.17 ? 13  GLY A N   1 
ATOM   82  C CA  . GLY A 1 13 ? -19.712 9.774  54.730 1.00 14.00 ? 13  GLY A CA  1 
ATOM   83  C C   . GLY A 1 13 ? -20.881 10.536 55.322 1.00 15.90 ? 13  GLY A C   1 
ATOM   84  O O   . GLY A 1 13 ? -20.755 11.620 55.889 1.00 13.98 ? 13  GLY A O   1 
ATOM   85  N N   . LEU A 1 14 ? -22.057 9.936  55.166 1.00 17.99 ? 14  LEU A N   1 
ATOM   86  C CA  . LEU A 1 14 ? -23.292 10.503 55.685 1.00 14.36 ? 14  LEU A CA  1 
ATOM   87  C C   . LEU A 1 14 ? -23.260 10.546 57.211 1.00 14.58 ? 14  LEU A C   1 
ATOM   88  O O   . LEU A 1 14 ? -22.684 9.673  57.866 1.00 13.67 ? 14  LEU A O   1 
ATOM   89  C CB  . LEU A 1 14 ? -24.474 9.671  55.188 1.00 19.40 ? 14  LEU A CB  1 
ATOM   90  C CG  . LEU A 1 14 ? -25.891 10.230 55.157 1.00 25.86 ? 14  LEU A CG  1 
ATOM   91  C CD1 . LEU A 1 14 ? -26.156 10.853 53.802 1.00 25.91 ? 14  LEU A CD1 1 
ATOM   92  C CD2 . LEU A 1 14 ? -26.870 9.101  55.410 1.00 26.43 ? 14  LEU A CD2 1 
ATOM   93  N N   . ARG A 1 15 ? -23.865 11.591 57.777 1.00 12.32 ? 15  ARG A N   1 
ATOM   94  C CA  . ARG A 1 15 ? -23.958 11.694 59.228 1.00 11.70 ? 15  ARG A CA  1 
ATOM   95  C C   . ARG A 1 15 ? -24.686 10.481 59.793 1.00 12.79 ? 15  ARG A C   1 
ATOM   96  O O   . ARG A 1 15 ? -25.619 9.956  59.177 1.00 13.22 ? 15  ARG A O   1 
ATOM   97  C CB  . ARG A 1 15 ? -24.676 12.990 59.633 1.00 12.32 ? 15  ARG A CB  1 
ATOM   98  C CG  . ARG A 1 15 ? -24.843 13.151 61.141 1.00 14.73 ? 15  ARG A CG  1 
ATOM   99  C CD  . ARG A 1 15 ? -25.248 14.561 61.583 1.00 16.41 ? 15  ARG A CD  1 
ATOM   100 N NE  . ARG A 1 15 ? -24.834 14.798 62.964 1.00 19.82 ? 15  ARG A NE  1 
ATOM   101 C CZ  . ARG A 1 15 ? -25.304 15.760 63.747 1.00 18.75 ? 15  ARG A CZ  1 
ATOM   102 N NH1 . ARG A 1 15 ? -26.157 16.667 63.297 1.00 23.82 ? 15  ARG A NH1 1 
ATOM   103 N NH2 . ARG A 1 15 ? -24.908 15.812 65.018 1.00 20.85 ? 15  ARG A NH2 1 
ATOM   104 N N   . GLY A 1 16 ? -24.236 10.020 60.957 1.00 11.15 ? 16  GLY A N   1 
ATOM   105 C CA  . GLY A 1 16 ? -24.860 8.880  61.607 1.00 11.23 ? 16  GLY A CA  1 
ATOM   106 C C   . GLY A 1 16 ? -26.325 9.122  61.937 1.00 11.26 ? 16  GLY A C   1 
ATOM   107 O O   . GLY A 1 16 ? -26.843 10.237 61.909 1.00 11.21 ? 16  GLY A O   1 
ATOM   108 N N   . GLU A 1 17 ? -27.008 8.025  62.255 1.00 11.67 ? 17  GLU A N   1 
ATOM   109 C CA  . GLU A 1 17 ? -28.410 8.094  62.634 1.00 14.08 ? 17  GLU A CA  1 
ATOM   110 C C   . GLU A 1 17 ? -28.555 8.662  64.046 1.00 11.29 ? 17  GLU A C   1 
ATOM   111 O O   . GLU A 1 17 ? -27.622 8.596  64.848 1.00 10.86 ? 17  GLU A O   1 
ATOM   112 C CB  . GLU A 1 17 ? -29.040 6.706  62.551 1.00 16.05 ? 17  GLU A CB  1 
ATOM   113 C CG  . GLU A 1 17 ? -28.363 5.659  63.425 1.00 17.18 ? 17  GLU A CG  1 
ATOM   114 C CD  . GLU A 1 17 ? -29.225 4.425  63.627 1.00 26.35 ? 17  GLU A CD  1 
ATOM   115 O OE1 . GLU A 1 17 ? -30.253 4.302  62.927 1.00 34.10 ? 17  GLU A OE1 1 
ATOM   116 O OE2 . GLU A 1 17 ? -28.873 3.575  64.478 1.00 27.00 ? 17  GLU A OE2 1 
ATOM   117 N N   . PRO A 1 18 ? -29.717 9.236  64.371 1.00 11.51 ? 18  PRO A N   1 
ATOM   118 C CA  . PRO A 1 18 ? -29.942 9.694  65.746 1.00 11.14 ? 18  PRO A CA  1 
ATOM   119 C C   . PRO A 1 18 ? -29.809 8.543  66.727 1.00 11.09 ? 18  PRO A C   1 
ATOM   120 O O   . PRO A 1 18 ? -30.112 7.390  66.409 1.00 11.66 ? 18  PRO A O   1 
ATOM   121 C CB  . PRO A 1 18 ? -31.378 10.232 65.715 1.00 11.81 ? 18  PRO A CB  1 
ATOM   122 C CG  . PRO A 1 18 ? -31.627 10.559 64.276 1.00 17.56 ? 18  PRO A CG  1 
ATOM   123 C CD  . PRO A 1 18 ? -30.872 9.521  63.502 1.00 12.83 ? 18  PRO A CD  1 
ATOM   124 N N   . GLY A 1 19 ? -29.338 8.867  67.928 1.00 8.56  ? 19  GLY A N   1 
ATOM   125 C CA  . GLY A 1 19 ? -29.208 7.893  68.981 1.00 6.80  ? 19  GLY A CA  1 
ATOM   126 C C   . GLY A 1 19 ? -30.551 7.371  69.442 1.00 5.20  ? 19  GLY A C   1 
ATOM   127 O O   . GLY A 1 19 ? -31.604 7.911  69.095 1.00 7.64  ? 19  GLY A O   1 
ATOM   128 N N   . PRO A 1 20 ? -30.544 6.287  70.230 1.00 7.65  ? 20  PRO A N   1 
ATOM   129 C CA  . PRO A 1 20 ? -31.820 5.782  70.739 1.00 5.78  ? 20  PRO A CA  1 
ATOM   130 C C   . PRO A 1 20 ? -32.415 6.713  71.784 1.00 4.19  ? 20  PRO A C   1 
ATOM   131 O O   . PRO A 1 20 ? -31.722 7.579  72.320 1.00 4.03  ? 20  PRO A O   1 
ATOM   132 C CB  . PRO A 1 20 ? -31.447 4.427  71.353 1.00 10.43 ? 20  PRO A CB  1 
ATOM   133 C CG  . PRO A 1 20 ? -30.013 4.545  71.688 1.00 10.39 ? 20  PRO A CG  1 
ATOM   134 C CD  . PRO A 1 20 ? -29.403 5.466  70.664 1.00 8.44  ? 20  PRO A CD  1 
HETATM 135 N N   . HYP A 1 21 ? -33.702 6.545  72.046 1.00 6.46  ? 21  HYP A N   1 
HETATM 136 C CA  . HYP A 1 21 ? -34.362 7.245  73.172 1.00 5.30  ? 21  HYP A CA  1 
HETATM 137 C C   . HYP A 1 21 ? -33.538 7.135  74.510 1.00 4.46  ? 21  HYP A C   1 
HETATM 138 O O   . HYP A 1 21 ? -32.842 6.128  74.723 1.00 11.80 ? 21  HYP A O   1 
HETATM 139 C CB  . HYP A 1 21 ? -35.765 6.627  73.330 1.00 8.68  ? 21  HYP A CB  1 
HETATM 140 C CG  . HYP A 1 21 ? -36.092 6.150  71.918 1.00 12.68 ? 21  HYP A CG  1 
HETATM 141 C CD  . HYP A 1 21 ? -34.712 5.645  71.458 1.00 10.56 ? 21  HYP A CD  1 
HETATM 142 O OD1 . HYP A 1 21 ? -36.565 7.137  71.075 1.00 15.12 ? 21  HYP A OD1 1 
ATOM   143 N N   . GLY A 1 22 ? -33.620 8.157  75.360 1.00 5.65  ? 22  GLY A N   1 
ATOM   144 C CA  . GLY A 1 22 ? -32.954 8.115  76.651 1.00 5.98  ? 22  GLY A CA  1 
ATOM   145 C C   . GLY A 1 22 ? -33.604 7.127  77.602 1.00 5.02  ? 22  GLY A C   1 
ATOM   146 O O   . GLY A 1 22 ? -34.640 6.553  77.286 1.00 5.45  ? 22  GLY A O   1 
ATOM   147 N N   . PRO A 1 23 ? -32.987 6.915  78.775 1.00 4.77  ? 23  PRO A N   1 
ATOM   148 C CA  . PRO A 1 23 ? -33.558 6.064  79.820 1.00 4.42  ? 23  PRO A CA  1 
ATOM   149 C C   . PRO A 1 23 ? -34.868 6.628  80.353 1.00 4.66  ? 23  PRO A C   1 
ATOM   150 O O   . PRO A 1 23 ? -35.133 7.825  80.215 1.00 5.47  ? 23  PRO A O   1 
ATOM   151 C CB  . PRO A 1 23 ? -32.482 6.062  80.916 1.00 7.78  ? 23  PRO A CB  1 
ATOM   152 C CG  . PRO A 1 23 ? -31.230 6.543  80.252 1.00 7.53  ? 23  PRO A CG  1 
ATOM   153 C CD  . PRO A 1 23 ? -31.669 7.456  79.151 1.00 8.46  ? 23  PRO A CD  1 
HETATM 154 N N   . HYP A 1 24 ? -35.673 5.758  80.947 1.00 6.33  ? 24  HYP A N   1 
HETATM 155 C CA  . HYP A 1 24 ? -36.952 6.157  81.550 1.00 5.52  ? 24  HYP A CA  1 
HETATM 156 C C   . HYP A 1 24 ? -36.709 7.187  82.692 1.00 5.86  ? 24  HYP A C   1 
HETATM 157 O O   . HYP A 1 24 ? -35.628 7.162  83.311 1.00 5.52  ? 24  HYP A O   1 
HETATM 158 C CB  . HYP A 1 24 ? -37.636 4.879  82.060 1.00 6.44  ? 24  HYP A CB  1 
HETATM 159 C CG  . HYP A 1 24 ? -37.049 3.789  81.165 1.00 9.78  ? 24  HYP A CG  1 
HETATM 160 C CD  . HYP A 1 24 ? -35.600 4.286  81.092 1.00 13.17 ? 24  HYP A CD  1 
HETATM 161 O OD1 . HYP A 1 24 ? -37.631 3.689  79.907 1.00 11.80 ? 24  HYP A OD1 1 
ATOM   162 N N   . GLY A 1 25 ? -37.680 8.060  82.937 1.00 5.94  ? 25  GLY A N   1 
ATOM   163 C CA  . GLY A 1 25 ? -37.511 9.097  83.927 1.00 6.16  ? 25  GLY A CA  1 
ATOM   164 C C   . GLY A 1 25 ? -37.662 8.599  85.348 1.00 10.72 ? 25  GLY A C   1 
ATOM   165 O O   . GLY A 1 25 ? -37.927 7.423  85.575 1.00 8.47  ? 25  GLY A O   1 
ATOM   166 N N   . PRO A 1 26 ? -37.492 9.502  86.320 1.00 13.85 ? 26  PRO A N   1 
ATOM   167 C CA  . PRO A 1 26 ? -37.674 9.142  87.728 1.00 8.76  ? 26  PRO A CA  1 
ATOM   168 C C   . PRO A 1 26 ? -39.138 8.882  88.084 1.00 12.41 ? 26  PRO A C   1 
ATOM   169 O O   . PRO A 1 26 ? -40.044 9.440  87.462 1.00 13.06 ? 26  PRO A O   1 
ATOM   170 C CB  . PRO A 1 26 ? -37.139 10.368 88.485 1.00 14.45 ? 26  PRO A CB  1 
ATOM   171 C CG  . PRO A 1 26 ? -36.502 11.263 87.440 1.00 11.74 ? 26  PRO A CG  1 
ATOM   172 C CD  . PRO A 1 26 ? -37.146 10.922 86.146 1.00 9.88  ? 26  PRO A CD  1 
HETATM 173 N N   . HYP A 1 27 ? -39.368 8.045  89.087 1.00 23.30 ? 27  HYP A N   1 
HETATM 174 C CA  . HYP A 1 27 ? -40.749 7.816  89.574 1.00 19.04 ? 27  HYP A CA  1 
HETATM 175 C C   . HYP A 1 27 ? -41.424 9.145  90.089 1.00 21.84 ? 27  HYP A C   1 
HETATM 176 O O   . HYP A 1 27 ? -40.739 10.001 90.676 1.00 25.34 ? 27  HYP A O   1 
HETATM 177 C CB  . HYP A 1 27 ? -40.693 6.759  90.695 1.00 21.56 ? 27  HYP A CB  1 
HETATM 178 C CG  . HYP A 1 27 ? -39.343 6.061  90.509 1.00 14.58 ? 27  HYP A CG  1 
HETATM 179 C CD  . HYP A 1 27 ? -38.493 7.228  89.956 1.00 19.99 ? 27  HYP A CD  1 
HETATM 180 O OD1 . HYP A 1 27 ? -39.362 4.964  89.668 1.00 23.12 ? 27  HYP A OD1 1 
ATOM   181 N N   . GLY A 1 28 ? -42.724 9.285  89.852 1.00 28.06 ? 28  GLY A N   1 
ATOM   182 C CA  . GLY A 1 28 ? -43.457 10.459 90.290 1.00 21.64 ? 28  GLY A CA  1 
ATOM   183 C C   . GLY A 1 28 ? -43.674 10.498 91.792 1.00 27.89 ? 28  GLY A C   1 
ATOM   184 O O   . GLY A 1 28 ? -43.518 9.484  92.479 1.00 29.54 ? 28  GLY A O   1 
HETATM 185 C C   . ACE B 1 1  ? -1.347  6.832  30.386 1.00 19.65 ? 1   ACE B C   1 
HETATM 186 O O   . ACE B 1 1  ? -2.496  7.000  29.986 1.00 18.66 ? 1   ACE B O   1 
HETATM 187 C CH3 . ACE B 1 1  ? -0.170  7.520  29.758 1.00 19.07 ? 1   ACE B CH3 1 
ATOM   188 N N   . PRO B 1 2  ? -1.063  6.023  31.402 1.00 19.41 ? 2   PRO B N   1 
ATOM   189 C CA  . PRO B 1 2  ? -2.104  5.286  32.122 1.00 20.62 ? 2   PRO B CA  1 
ATOM   190 C C   . PRO B 1 2  ? -2.945  6.206  32.996 1.00 19.80 ? 2   PRO B C   1 
ATOM   191 O O   . PRO B 1 2  ? -2.458  7.245  33.439 1.00 19.46 ? 2   PRO B O   1 
ATOM   192 C CB  . PRO B 1 2  ? -1.305  4.299  32.990 1.00 21.18 ? 2   PRO B CB  1 
ATOM   193 C CG  . PRO B 1 2  ? 0.144   4.447  32.552 1.00 25.28 ? 2   PRO B CG  1 
ATOM   194 C CD  . PRO B 1 2  ? 0.248   5.840  32.040 1.00 23.24 ? 2   PRO B CD  1 
HETATM 195 N N   . HYP B 1 3  ? -4.192  5.827  33.246 1.00 22.83 ? 3   HYP B N   1 
HETATM 196 C CA  . HYP B 1 3  ? -5.048  6.620  34.146 1.00 19.94 ? 3   HYP B CA  1 
HETATM 197 C C   . HYP B 1 3  ? -4.433  6.730  35.586 1.00 19.88 ? 3   HYP B C   1 
HETATM 198 O O   . HYP B 1 3  ? -3.740  5.798  36.031 1.00 21.93 ? 3   HYP B O   1 
HETATM 199 C CB  . HYP B 1 3  ? -6.436  5.962  34.196 1.00 21.60 ? 3   HYP B CB  1 
HETATM 200 C CG  . HYP B 1 3  ? -6.506  5.073  32.961 1.00 23.36 ? 3   HYP B CG  1 
HETATM 201 C CD  . HYP B 1 3  ? -5.016  4.684  32.802 1.00 23.01 ? 3   HYP B CD  1 
HETATM 202 O OD1 . HYP B 1 3  ? -7.035  5.676  31.823 1.00 28.84 ? 3   HYP B OD1 1 
ATOM   203 N N   . GLY B 1 4  ? -4.761  7.832  36.217 1.00 19.83 ? 4   GLY B N   1 
ATOM   204 C CA  . GLY B 1 4  ? -4.274  8.044  37.580 1.00 19.90 ? 4   GLY B CA  1 
ATOM   205 C C   . GLY B 1 4  ? -4.990  7.153  38.576 1.00 20.21 ? 4   GLY B C   1 
ATOM   206 O O   . GLY B 1 4  ? -5.990  6.548  38.228 1.00 20.41 ? 4   GLY B O   1 
ATOM   207 N N   . PRO B 1 5  ? -4.464  7.060  39.812 1.00 20.43 ? 5   PRO B N   1 
ATOM   208 C CA  . PRO B 1 5  ? -5.065  6.185  40.790 1.00 22.63 ? 5   PRO B CA  1 
ATOM   209 C C   . PRO B 1 5  ? -6.319  6.885  41.327 1.00 20.83 ? 5   PRO B C   1 
ATOM   210 O O   . PRO B 1 5  ? -6.371  8.080  41.304 1.00 21.08 ? 5   PRO B O   1 
ATOM   211 C CB  . PRO B 1 5  ? -3.988  6.015  41.861 1.00 21.20 ? 5   PRO B CB  1 
ATOM   212 C CG  . PRO B 1 5  ? -2.782  6.778  41.352 1.00 25.88 ? 5   PRO B CG  1 
ATOM   213 C CD  . PRO B 1 5  ? -3.294  7.753  40.312 1.00 29.05 ? 5   PRO B CD  1 
HETATM 214 N N   . HYP B 1 6  ? -7.327  6.131  41.803 1.00 21.29 ? 6   HYP B N   1 
HETATM 215 C CA  . HYP B 1 6  ? -8.497  6.754  42.413 1.00 22.38 ? 6   HYP B CA  1 
HETATM 216 C C   . HYP B 1 6  ? -8.123  7.489  43.699 1.00 22.42 ? 6   HYP B C   1 
HETATM 217 O O   . HYP B 1 6  ? -7.155  7.148  44.290 1.00 23.19 ? 6   HYP B O   1 
HETATM 218 C CB  . HYP B 1 6  ? -9.384  5.573  42.808 1.00 22.65 ? 6   HYP B CB  1 
HETATM 219 C CG  . HYP B 1 6  ? -8.920  4.430  41.920 1.00 27.82 ? 6   HYP B CG  1 
HETATM 220 C CD  . HYP B 1 6  ? -7.432  4.676  41.731 1.00 24.49 ? 6   HYP B CD  1 
HETATM 221 O OD1 . HYP B 1 6  ? -9.631  4.473  40.692 1.00 28.94 ? 6   HYP B OD1 1 
ATOM   222 N N   . GLY B 1 7  ? -8.917  8.481  44.085 1.00 21.88 ? 7   GLY B N   1 
ATOM   223 C CA  . GLY B 1 7  ? -8.719  9.156  45.351 1.00 22.40 ? 7   GLY B CA  1 
ATOM   224 C C   . GLY B 1 7  ? -8.993  8.189  46.486 1.00 22.89 ? 7   GLY B C   1 
ATOM   225 O O   . GLY B 1 7  ? -9.637  7.161  46.288 1.00 25.75 ? 7   GLY B O   1 
ATOM   226 N N   . LEU B 1 8  ? -8.490  8.499  47.674 1.00 22.11 ? 8   LEU B N   1 
ATOM   227 C CA  . LEU B 1 8  ? -8.771  7.656  48.821 1.00 27.55 ? 8   LEU B CA  1 
ATOM   228 C C   . LEU B 1 8  ? -10.222 7.812  49.268 1.00 26.35 ? 8   LEU B C   1 
ATOM   229 O O   . LEU B 1 8  ? -10.857 8.840  49.006 1.00 22.69 ? 8   LEU B O   1 
ATOM   230 C CB  . LEU B 1 8  ? -7.830  7.978  49.978 1.00 27.57 ? 8   LEU B CB  1 
ATOM   231 C CG  . LEU B 1 8  ? -6.590  7.085  50.081 1.00 30.48 ? 8   LEU B CG  1 
ATOM   232 C CD1 . LEU B 1 8  ? -6.005  6.757  48.716 1.00 31.02 ? 8   LEU B CD1 1 
ATOM   233 C CD2 . LEU B 1 8  ? -5.541  7.723  50.978 1.00 32.48 ? 8   LEU B CD2 1 
ATOM   234 N N   . PRO B 1 9  ? -10.779 6.786  49.911 1.00 22.32 ? 9   PRO B N   1 
ATOM   235 C CA  . PRO B 1 9  ? -12.144 6.895  50.434 1.00 18.79 ? 9   PRO B CA  1 
ATOM   236 C C   . PRO B 1 9  ? -12.290 8.082  51.371 1.00 22.40 ? 9   PRO B C   1 
ATOM   237 O O   . PRO B 1 9  ? -11.353 8.472  52.071 1.00 22.92 ? 9   PRO B O   1 
ATOM   238 C CB  . PRO B 1 9  ? -12.355 5.572  51.178 1.00 23.39 ? 9   PRO B CB  1 
ATOM   239 C CG  . PRO B 1 9  ? -11.320 4.633  50.654 1.00 24.55 ? 9   PRO B CG  1 
ATOM   240 C CD  . PRO B 1 9  ? -10.291 5.396  49.876 1.00 28.05 ? 9   PRO B CD  1 
ATOM   241 N N   . GLY B 1 10 ? -13.487 8.654  51.375 1.00 20.51 ? 10  GLY B N   1 
ATOM   242 C CA  . GLY B 1 10 ? -13.754 9.807  52.200 1.00 18.71 ? 10  GLY B CA  1 
ATOM   243 C C   . GLY B 1 10 ? -13.693 9.486  53.680 1.00 16.43 ? 10  GLY B C   1 
ATOM   244 O O   . GLY B 1 10 ? -13.654 8.334  54.117 1.00 15.02 ? 10  GLY B O   1 
ATOM   245 N N   . GLU B 1 11 ? -13.668 10.548 54.469 1.00 16.49 ? 11  GLU B N   1 
ATOM   246 C CA  . GLU B 1 11 ? -13.678 10.400 55.913 1.00 16.18 ? 11  GLU B CA  1 
ATOM   247 C C   . GLU B 1 11 ? -15.042 9.884  56.372 1.00 14.14 ? 11  GLU B C   1 
ATOM   248 O O   . GLU B 1 11 ? -16.059 10.079 55.703 1.00 16.38 ? 11  GLU B O   1 
ATOM   249 C CB  . GLU B 1 11 ? -13.313 11.742 56.554 1.00 20.69 ? 11  GLU B CB  1 
ATOM   250 C CG  . GLU B 1 11 ? -14.032 12.121 57.817 1.00 25.64 ? 11  GLU B CG  1 
ATOM   251 C CD  . GLU B 1 11 ? -13.553 13.452 58.366 1.00 32.34 ? 11  GLU B CD  1 
ATOM   252 O OE1 . GLU B 1 11 ? -13.133 13.494 59.540 1.00 33.55 ? 11  GLU B OE1 1 
ATOM   253 O OE2 . GLU B 1 11 ? -13.580 14.455 57.621 1.00 34.92 ? 11  GLU B OE2 1 
ATOM   254 N N   . ARG B 1 12 ? -15.050 9.156  57.487 1.00 14.95 ? 12  ARG B N   1 
ATOM   255 C CA  . ARG B 1 12 ? -16.311 8.647  58.007 1.00 14.43 ? 12  ARG B CA  1 
ATOM   256 C C   . ARG B 1 12 ? -17.197 9.823  58.407 1.00 14.69 ? 12  ARG B C   1 
ATOM   257 O O   . ARG B 1 12 ? -16.709 10.888 58.791 1.00 13.55 ? 12  ARG B O   1 
ATOM   258 C CB  . ARG B 1 12 ? -16.065 7.729  59.207 1.00 19.74 ? 12  ARG B CB  1 
ATOM   259 C CG  . ARG B 1 12 ? -17.322 7.282  59.937 1.00 13.18 ? 12  ARG B CG  1 
ATOM   260 C CD  . ARG B 1 12 ? -16.973 6.679  61.271 1.00 22.08 ? 12  ARG B CD  1 
ATOM   261 N NE  . ARG B 1 12 ? -16.993 7.715  62.297 1.00 31.42 ? 12  ARG B NE  1 
ATOM   262 C CZ  . ARG B 1 12 ? -16.106 7.824  63.276 1.00 30.83 ? 12  ARG B CZ  1 
ATOM   263 N NH1 . ARG B 1 12 ? -15.110 6.962  63.406 1.00 25.51 ? 12  ARG B NH1 1 
ATOM   264 N NH2 . ARG B 1 12 ? -16.221 8.825  64.145 1.00 30.09 ? 12  ARG B NH2 1 
ATOM   265 N N   . GLY B 1 13 ? -18.509 9.635  58.287 1.00 12.26 ? 13  GLY B N   1 
ATOM   266 C CA  . GLY B 1 13 ? -19.446 10.691 58.610 1.00 12.16 ? 13  GLY B CA  1 
ATOM   267 C C   . GLY B 1 13 ? -19.408 11.089 60.077 1.00 12.45 ? 13  GLY B C   1 
ATOM   268 O O   . GLY B 1 13 ? -18.878 10.392 60.942 1.00 12.72 ? 13  GLY B O   1 
ATOM   269 N N   . LEU B 1 14 ? -19.975 12.261 60.351 1.00 14.77 ? 14  LEU B N   1 
ATOM   270 C CA  . LEU B 1 14 ? -20.097 12.727 61.723 1.00 13.98 ? 14  LEU B CA  1 
ATOM   271 C C   . LEU B 1 14 ? -21.017 11.799 62.510 1.00 11.28 ? 14  LEU B C   1 
ATOM   272 O O   . LEU B 1 14 ? -21.934 11.192 61.955 1.00 12.35 ? 14  LEU B O   1 
ATOM   273 C CB  . LEU B 1 14 ? -20.655 14.149 61.758 1.00 14.68 ? 14  LEU B CB  1 
ATOM   274 C CG  . LEU B 1 14 ? -19.906 15.264 61.031 1.00 15.44 ? 14  LEU B CG  1 
ATOM   275 C CD1 . LEU B 1 14 ? -20.832 16.457 60.810 1.00 21.78 ? 14  LEU B CD1 1 
ATOM   276 C CD2 . LEU B 1 14 ? -18.666 15.674 61.804 1.00 17.09 ? 14  LEU B CD2 1 
ATOM   277 N N   . ARG B 1 15 ? -20.761 11.686 63.812 1.00 11.07 ? 15  ARG B N   1 
ATOM   278 C CA  . ARG B 1 15 ? -21.682 10.962 64.678 1.00 10.24 ? 15  ARG B CA  1 
ATOM   279 C C   . ARG B 1 15 ? -23.083 11.563 64.594 1.00 9.27  ? 15  ARG B C   1 
ATOM   280 O O   . ARG B 1 15 ? -23.256 12.765 64.384 1.00 11.30 ? 15  ARG B O   1 
ATOM   281 C CB  . ARG B 1 15 ? -21.213 10.994 66.133 1.00 11.75 ? 15  ARG B CB  1 
ATOM   282 C CG  . ARG B 1 15 ? -21.826 9.882  66.964 1.00 16.03 ? 15  ARG B CG  1 
ATOM   283 C CD  . ARG B 1 15 ? -21.639 10.105 68.453 1.00 15.91 ? 15  ARG B CD  1 
ATOM   284 N NE  . ARG B 1 15 ? -22.206 9.009  69.233 1.00 16.96 ? 15  ARG B NE  1 
ATOM   285 C CZ  . ARG B 1 15 ? -21.919 8.773  70.505 1.00 19.94 ? 15  ARG B CZ  1 
ATOM   286 N NH1 . ARG B 1 15 ? -21.114 9.573  71.189 1.00 21.55 ? 15  ARG B NH1 1 
ATOM   287 N NH2 . ARG B 1 15 ? -22.457 7.717  71.109 1.00 15.43 ? 15  ARG B NH2 1 
ATOM   288 N N   . GLY B 1 16 ? -24.090 10.714 64.776 1.00 8.80  ? 16  GLY B N   1 
ATOM   289 C CA  . GLY B 1 16 ? -25.460 11.179 64.754 1.00 8.25  ? 16  GLY B CA  1 
ATOM   290 C C   . GLY B 1 16 ? -25.798 12.055 65.951 1.00 11.49 ? 16  GLY B C   1 
ATOM   291 O O   . GLY B 1 16 ? -25.042 12.190 66.913 1.00 7.68  ? 16  GLY B O   1 
ATOM   292 N N   . GLU B 1 17 ? -26.972 12.672 65.875 1.00 8.94  ? 17  GLU B N   1 
ATOM   293 C CA  . GLU B 1 17 ? -27.456 13.504 66.961 1.00 8.81  ? 17  GLU B CA  1 
ATOM   294 C C   . GLU B 1 17 ? -27.842 12.642 68.165 1.00 6.63  ? 17  GLU B C   1 
ATOM   295 O O   . GLU B 1 17 ? -28.191 11.470 68.010 1.00 7.16  ? 17  GLU B O   1 
ATOM   296 C CB  . GLU B 1 17 ? -28.662 14.320 66.500 1.00 10.06 ? 17  GLU B CB  1 
ATOM   297 C CG  . GLU B 1 17 ? -28.535 14.889 65.094 1.00 19.47 ? 17  GLU B CG  1 
ATOM   298 C CD  . GLU B 1 17 ? -28.799 16.386 65.039 1.00 31.31 ? 17  GLU B CD  1 
ATOM   299 O OE1 . GLU B 1 17 ? -29.254 16.872 63.978 1.00 31.60 ? 17  GLU B OE1 1 
ATOM   300 O OE2 . GLU B 1 17 ? -28.579 17.071 66.063 1.00 31.14 ? 17  GLU B OE2 1 
ATOM   301 N N   . PRO B 1 18 ? -27.780 13.198 69.375 1.00 6.53  ? 18  PRO B N   1 
ATOM   302 C CA  . PRO B 1 18 ? -28.295 12.473 70.542 1.00 6.12  ? 18  PRO B CA  1 
ATOM   303 C C   . PRO B 1 18 ? -29.760 12.108 70.357 1.00 5.88  ? 18  PRO B C   1 
ATOM   304 O O   . PRO B 1 18 ? -30.513 12.797 69.663 1.00 6.99  ? 18  PRO B O   1 
ATOM   305 C CB  . PRO B 1 18 ? -28.110 13.471 71.691 1.00 6.98  ? 18  PRO B CB  1 
ATOM   306 C CG  . PRO B 1 18 ? -26.978 14.344 71.240 1.00 7.16  ? 18  PRO B CG  1 
ATOM   307 C CD  . PRO B 1 18 ? -27.164 14.482 69.752 1.00 8.59  ? 18  PRO B CD  1 
ATOM   308 N N   . GLY B 1 19 ? -30.156 11.004 70.983 1.00 4.66  ? 19  GLY B N   1 
ATOM   309 C CA  . GLY B 1 19 ? -31.515 10.525 70.904 1.00 7.19  ? 19  GLY B CA  1 
ATOM   310 C C   . GLY B 1 19 ? -32.473 11.447 71.623 1.00 3.72  ? 19  GLY B C   1 
ATOM   311 O O   . GLY B 1 19 ? -32.066 12.351 72.358 1.00 7.10  ? 19  GLY B O   1 
ATOM   312 N N   . PRO B 1 20 ? -33.781 11.245 71.416 1.00 4.15  ? 20  PRO B N   1 
ATOM   313 C CA  . PRO B 1 20 ? -34.766 12.057 72.129 1.00 8.10  ? 20  PRO B CA  1 
ATOM   314 C C   . PRO B 1 20 ? -34.799 11.710 73.608 1.00 3.25  ? 20  PRO B C   1 
ATOM   315 O O   . PRO B 1 20 ? -34.276 10.669 74.027 1.00 3.21  ? 20  PRO B O   1 
ATOM   316 C CB  . PRO B 1 20 ? -36.089 11.684 71.449 1.00 8.61  ? 20  PRO B CB  1 
ATOM   317 C CG  . PRO B 1 20 ? -35.846 10.336 70.904 1.00 13.55 ? 20  PRO B CG  1 
ATOM   318 C CD  . PRO B 1 20 ? -34.420 10.335 70.456 1.00 5.89  ? 20  PRO B CD  1 
HETATM 319 N N   . HYP B 1 21 ? -35.405 12.588 74.394 1.00 4.19  ? 21  HYP B N   1 
HETATM 320 C CA  . HYP B 1 21 ? -35.634 12.296 75.826 1.00 3.99  ? 21  HYP B CA  1 
HETATM 321 C C   . HYP B 1 21 ? -36.304 10.902 76.045 1.00 3.30  ? 21  HYP B C   1 
HETATM 322 O O   . HYP B 1 21 ? -37.112 10.456 75.208 1.00 6.98  ? 21  HYP B O   1 
HETATM 323 C CB  . HYP B 1 21 ? -36.514 13.418 76.393 1.00 3.80  ? 21  HYP B CB  1 
HETATM 324 C CG  . HYP B 1 21 ? -36.123 14.624 75.527 1.00 4.07  ? 21  HYP B CG  1 
HETATM 325 C CD  . HYP B 1 21 ? -35.996 13.930 74.158 1.00 3.79  ? 21  HYP B CD  1 
HETATM 326 O OD1 . HYP B 1 21 ? -34.942 15.255 75.911 1.00 6.79  ? 21  HYP B OD1 1 
ATOM   327 N N   . GLY B 1 22 ? -35.943 10.245 77.140 1.00 3.42  ? 22  GLY B N   1 
ATOM   328 C CA  . GLY B 1 22 ? -36.602 9.015  77.520 1.00 5.18  ? 22  GLY B CA  1 
ATOM   329 C C   . GLY B 1 22 ? -38.066 9.242  77.835 1.00 4.72  ? 22  GLY B C   1 
ATOM   330 O O   . GLY B 1 22 ? -38.532 10.378 77.930 1.00 4.77  ? 22  GLY B O   1 
ATOM   331 N N   . PRO B 1 23 ? -38.806 8.146  78.003 1.00 8.37  ? 23  PRO B N   1 
ATOM   332 C CA  . PRO B 1 23 ? -40.221 8.197  78.363 1.00 5.38  ? 23  PRO B CA  1 
ATOM   333 C C   . PRO B 1 23 ? -40.381 8.603  79.821 1.00 8.86  ? 23  PRO B C   1 
ATOM   334 O O   . PRO B 1 23 ? -39.433 8.496  80.598 1.00 8.08  ? 23  PRO B O   1 
ATOM   335 C CB  . PRO B 1 23 ? -40.688 6.757  78.152 1.00 5.10  ? 23  PRO B CB  1 
ATOM   336 C CG  . PRO B 1 23 ? -39.458 5.945  78.405 1.00 9.07  ? 23  PRO B CG  1 
ATOM   337 C CD  . PRO B 1 23 ? -38.309 6.767  77.891 1.00 4.26  ? 23  PRO B CD  1 
HETATM 338 N N   . HYP B 1 24 ? -41.573 9.050  80.187 1.00 8.87  ? 24  HYP B N   1 
HETATM 339 C CA  . HYP B 1 24 ? -41.853 9.431  81.581 1.00 6.41  ? 24  HYP B CA  1 
HETATM 340 C C   . HYP B 1 24 ? -41.569 8.281  82.595 1.00 9.00  ? 24  HYP B C   1 
HETATM 341 O O   . HYP B 1 24 ? -41.707 7.096  82.242 1.00 11.67 ? 24  HYP B O   1 
HETATM 342 C CB  . HYP B 1 24 ? -43.324 9.857  81.650 1.00 7.38  ? 24  HYP B CB  1 
HETATM 343 C CG  . HYP B 1 24 ? -43.580 10.458 80.276 1.00 10.11 ? 24  HYP B CG  1 
HETATM 344 C CD  . HYP B 1 24 ? -42.742 9.506  79.388 1.00 11.42 ? 24  HYP B CD  1 
HETATM 345 O OD1 . HYP B 1 24 ? -43.198 11.784 80.146 1.00 17.18 ? 24  HYP B OD1 1 
ATOM   346 N N   . GLY B 1 25 ? -41.181 8.640  83.812 1.00 7.35  ? 25  GLY B N   1 
ATOM   347 C CA  . GLY B 1 25 ? -41.014 7.655  84.862 1.00 10.55 ? 25  GLY B CA  1 
ATOM   348 C C   . GLY B 1 25 ? -42.345 7.061  85.277 1.00 14.24 ? 25  GLY B C   1 
ATOM   349 O O   . GLY B 1 25 ? -43.393 7.447  84.756 1.00 12.25 ? 25  GLY B O   1 
ATOM   350 N N   . PRO B 1 26 ? -42.311 6.107  86.218 1.00 17.92 ? 26  PRO B N   1 
ATOM   351 C CA  . PRO B 1 26 ? -43.529 5.489  86.745 1.00 19.45 ? 26  PRO B CA  1 
ATOM   352 C C   . PRO B 1 26 ? -44.443 6.516  87.393 1.00 23.93 ? 26  PRO B C   1 
ATOM   353 O O   . PRO B 1 26 ? -43.959 7.369  88.139 1.00 18.60 ? 26  PRO B O   1 
ATOM   354 C CB  . PRO B 1 26 ? -42.996 4.504  87.789 1.00 19.14 ? 26  PRO B CB  1 
ATOM   355 C CG  . PRO B 1 26 ? -41.616 4.186  87.322 1.00 19.58 ? 26  PRO B CG  1 
ATOM   356 C CD  . PRO B 1 26 ? -41.099 5.489  86.783 1.00 14.98 ? 26  PRO B CD  1 
HETATM 357 N N   . HYP B 1 27 ? -45.739 6.434  87.107 1.00 27.89 ? 27  HYP B N   1 
HETATM 358 C CA  . HYP B 1 27 ? -46.737 7.311  87.767 1.00 27.78 ? 27  HYP B CA  1 
HETATM 359 C C   . HYP B 1 27 ? -46.643 7.225  89.333 1.00 31.53 ? 27  HYP B C   1 
HETATM 360 O O   . HYP B 1 27 ? -46.401 6.130  89.872 1.00 33.20 ? 27  HYP B O   1 
HETATM 361 C CB  . HYP B 1 27 ? -48.140 6.903  87.279 1.00 27.33 ? 27  HYP B CB  1 
HETATM 362 C CG  . HYP B 1 27 ? -47.919 6.047  86.023 1.00 26.09 ? 27  HYP B CG  1 
HETATM 363 C CD  . HYP B 1 27 ? -46.496 5.472  86.267 1.00 25.32 ? 27  HYP B CD  1 
HETATM 364 O OD1 . HYP B 1 27 ? -48.028 6.720  84.809 1.00 35.49 ? 27  HYP B OD1 1 
ATOM   365 N N   . GLY B 1 28 ? -46.832 8.365  89.997 1.00 37.52 ? 28  GLY B N   1 
ATOM   366 C CA  . GLY B 1 28 ? -46.672 8.502  91.436 1.00 38.35 ? 28  GLY B CA  1 
ATOM   367 C C   . GLY B 1 28 ? -47.042 7.309  92.294 1.00 42.89 ? 28  GLY B C   1 
ATOM   368 O O   . GLY B 1 28 ? -46.190 6.465  92.580 1.00 46.69 ? 28  GLY B O   1 
HETATM 369 C C   . ACE C 1 1  ? 3.564   12.206 27.299 1.00 27.92 ? 1   ACE C C   1 
HETATM 370 O O   . ACE C 1 1  ? 4.132   12.296 28.386 1.00 26.17 ? 1   ACE C O   1 
HETATM 371 C CH3 . ACE C 1 1  ? 4.204   11.547 26.112 1.00 26.42 ? 1   ACE C CH3 1 
ATOM   372 N N   . PRO C 1 2  ? 2.340   12.686 27.102 1.00 31.36 ? 2   PRO C N   1 
ATOM   373 C CA  . PRO C 1 2  ? 1.600   13.357 28.172 1.00 27.13 ? 2   PRO C CA  1 
ATOM   374 C C   . PRO C 1 2  ? 1.078   12.417 29.260 1.00 27.93 ? 2   PRO C C   1 
ATOM   375 O O   . PRO C 1 2  ? 0.769   11.255 28.992 1.00 25.24 ? 2   PRO C O   1 
ATOM   376 C CB  . PRO C 1 2  ? 0.452   14.013 27.409 1.00 30.41 ? 2   PRO C CB  1 
ATOM   377 C CG  . PRO C 1 2  ? 0.138   13.016 26.329 1.00 32.79 ? 2   PRO C CG  1 
ATOM   378 C CD  . PRO C 1 2  ? 1.456   12.338 25.973 1.00 32.62 ? 2   PRO C CD  1 
HETATM 379 N N   . HYP C 1 3  ? 0.997   12.923 30.485 1.00 28.54 ? 3   HYP C N   1 
HETATM 380 C CA  . HYP C 1 3  ? 0.435   12.137 31.605 1.00 24.57 ? 3   HYP C CA  1 
HETATM 381 C C   . HYP C 1 3  ? -1.004  11.590 31.278 1.00 26.34 ? 3   HYP C C   1 
HETATM 382 O O   . HYP C 1 3  ? -1.745  12.218 30.501 1.00 25.81 ? 3   HYP C O   1 
HETATM 383 C CB  . HYP C 1 3  ? 0.425   13.037 32.848 1.00 28.56 ? 3   HYP C CB  1 
HETATM 384 C CG  . HYP C 1 3  ? 1.592   14.010 32.617 1.00 27.84 ? 3   HYP C CG  1 
HETATM 385 C CD  . HYP C 1 3  ? 1.536   14.179 31.077 1.00 29.35 ? 3   HYP C CD  1 
HETATM 386 O OD1 . HYP C 1 3  ? 2.830   13.576 33.088 1.00 30.12 ? 3   HYP C OD1 1 
ATOM   387 N N   . GLY C 1 4  ? -1.356  10.446 31.853 1.00 22.30 ? 4   GLY C N   1 
ATOM   388 C CA  . GLY C 1 4  ? -2.639  9.829  31.583 1.00 22.21 ? 4   GLY C CA  1 
ATOM   389 C C   . GLY C 1 4  ? -3.813  10.587 32.164 1.00 25.10 ? 4   GLY C C   1 
ATOM   390 O O   . GLY C 1 4  ? -3.631  11.615 32.816 1.00 21.44 ? 4   GLY C O   1 
ATOM   391 N N   . PRO C 1 5  ? -5.031  10.080 31.923 1.00 22.41 ? 5   PRO C N   1 
ATOM   392 C CA  . PRO C 1 5  ? -6.263  10.672 32.447 1.00 24.24 ? 5   PRO C CA  1 
ATOM   393 C C   . PRO C 1 5  ? -6.230  10.788 33.965 1.00 22.66 ? 5   PRO C C   1 
ATOM   394 O O   . PRO C 1 5  ? -5.781  9.863  34.649 1.00 20.54 ? 5   PRO C O   1 
ATOM   395 C CB  . PRO C 1 5  ? -7.347  9.685  31.999 1.00 24.74 ? 5   PRO C CB  1 
ATOM   396 C CG  . PRO C 1 5  ? -6.754  8.975  30.836 1.00 27.28 ? 5   PRO C CG  1 
ATOM   397 C CD  . PRO C 1 5  ? -5.299  8.854  31.154 1.00 24.67 ? 5   PRO C CD  1 
HETATM 398 N N   . HYP C 1 6  ? -6.679  11.927 34.477 1.00 21.91 ? 6   HYP C N   1 
HETATM 399 C CA  . HYP C 1 6  ? -6.793  12.127 35.938 1.00 23.83 ? 6   HYP C CA  1 
HETATM 400 C C   . HYP C 1 6  ? -7.629  10.988 36.613 1.00 19.69 ? 6   HYP C C   1 
HETATM 401 O O   . HYP C 1 6  ? -8.620  10.517 36.027 1.00 19.97 ? 6   HYP C O   1 
HETATM 402 C CB  . HYP C 1 6  ? -7.433  13.502 36.174 1.00 24.72 ? 6   HYP C CB  1 
HETATM 403 C CG  . HYP C 1 6  ? -7.082  14.299 34.916 1.00 28.20 ? 6   HYP C CG  1 
HETATM 404 C CD  . HYP C 1 6  ? -7.117  13.186 33.840 1.00 25.68 ? 6   HYP C CD  1 
HETATM 405 O OD1 . HYP C 1 6  ? -5.865  14.972 34.958 1.00 34.67 ? 6   HYP C OD1 1 
ATOM   406 N N   . GLY C 1 7  ? -7.206  10.561 37.798 1.00 19.25 ? 7   GLY C N   1 
ATOM   407 C CA  . GLY C 1 7  ? -7.852  9.458  38.478 1.00 20.14 ? 7   GLY C CA  1 
ATOM   408 C C   . GLY C 1 7  ? -9.281  9.734  38.900 1.00 18.82 ? 7   GLY C C   1 
ATOM   409 O O   . GLY C 1 7  ? -9.704  10.882 38.989 1.00 18.86 ? 7   GLY C O   1 
ATOM   410 N N   . LEU C 1 8  ? -10.023 8.663  39.157 1.00 19.72 ? 8   LEU C N   1 
ATOM   411 C CA  . LEU C 1 8  ? -11.390 8.792  39.629 1.00 18.97 ? 8   LEU C CA  1 
ATOM   412 C C   . LEU C 1 8  ? -11.405 9.341  41.054 1.00 18.18 ? 8   LEU C C   1 
ATOM   413 O O   . LEU C 1 8  ? -10.457 9.135  41.817 1.00 18.47 ? 8   LEU C O   1 
ATOM   414 C CB  . LEU C 1 8  ? -12.091 7.440  39.593 1.00 19.01 ? 8   LEU C CB  1 
ATOM   415 C CG  . LEU C 1 8  ? -12.287 6.851  38.199 1.00 25.27 ? 8   LEU C CG  1 
ATOM   416 C CD1 . LEU C 1 8  ? -13.100 5.569  38.274 1.00 20.50 ? 8   LEU C CD1 1 
ATOM   417 C CD2 . LEU C 1 8  ? -12.962 7.872  37.298 1.00 22.58 ? 8   LEU C CD2 1 
ATOM   418 N N   . PRO C 1 9  ? -12.467 10.043 41.439 1.00 18.20 ? 9   PRO C N   1 
ATOM   419 C CA  . PRO C 1 9  ? -12.578 10.499 42.826 1.00 17.80 ? 9   PRO C CA  1 
ATOM   420 C C   . PRO C 1 9  ? -12.748 9.320  43.771 1.00 17.44 ? 9   PRO C C   1 
ATOM   421 O O   . PRO C 1 9  ? -13.169 8.229  43.383 1.00 17.60 ? 9   PRO C O   1 
ATOM   422 C CB  . PRO C 1 9  ? -13.825 11.389 42.816 1.00 19.67 ? 9   PRO C CB  1 
ATOM   423 C CG  . PRO C 1 9  ? -14.616 10.920 41.639 1.00 22.51 ? 9   PRO C CG  1 
ATOM   424 C CD  . PRO C 1 9  ? -13.603 10.492 40.615 1.00 18.81 ? 9   PRO C CD  1 
ATOM   425 N N   . GLY C 1 10 ? -12.403 9.558  45.033 1.00 17.68 ? 10  GLY C N   1 
ATOM   426 C CA  . GLY C 1 10 ? -12.473 8.505  46.021 1.00 17.37 ? 10  GLY C CA  1 
ATOM   427 C C   . GLY C 1 10 ? -13.894 8.066  46.314 1.00 18.92 ? 10  GLY C C   1 
ATOM   428 O O   . GLY C 1 10 ? -14.871 8.764  46.042 1.00 17.42 ? 10  GLY C O   1 
ATOM   429 N N   . GLU C 1 11 ? -13.994 6.862  46.873 1.00 17.81 ? 11  GLU C N   1 
ATOM   430 C CA  . GLU C 1 11 ? -15.262 6.347  47.370 1.00 20.06 ? 11  GLU C CA  1 
ATOM   431 C C   . GLU C 1 11 ? -15.773 7.218  48.515 1.00 16.58 ? 11  GLU C C   1 
ATOM   432 O O   . GLU C 1 11 ? -14.997 7.775  49.294 1.00 20.14 ? 11  GLU C O   1 
ATOM   433 C CB  . GLU C 1 11 ? -15.073 4.898  47.830 1.00 18.11 ? 11  GLU C CB  1 
ATOM   434 C CG  . GLU C 1 11 ? -16.285 4.240  48.464 1.00 18.55 ? 11  GLU C CG  1 
ATOM   435 C CD  . GLU C 1 11 ? -15.965 2.869  49.037 1.00 23.05 ? 11  GLU C CD  1 
ATOM   436 O OE1 . GLU C 1 11 ? -14.772 2.586  49.289 1.00 24.61 ? 11  GLU C OE1 1 
ATOM   437 O OE2 . GLU C 1 11 ? -16.906 2.073  49.236 1.00 24.08 ? 11  GLU C OE2 1 
ATOM   438 N N   . ARG C 1 12 ? -17.094 7.362  48.599 1.00 18.20 ? 12  ARG C N   1 
ATOM   439 C CA  . ARG C 1 12 ? -17.677 8.078  49.728 1.00 17.65 ? 12  ARG C CA  1 
ATOM   440 C C   . ARG C 1 12 ? -17.355 7.367  51.036 1.00 18.59 ? 12  ARG C C   1 
ATOM   441 O O   . ARG C 1 12 ? -17.337 6.134  51.105 1.00 20.14 ? 12  ARG C O   1 
ATOM   442 C CB  . ARG C 1 12 ? -19.191 8.215  49.565 1.00 20.08 ? 12  ARG C CB  1 
ATOM   443 C CG  . ARG C 1 12 ? -19.870 8.921  50.738 1.00 18.93 ? 12  ARG C CG  1 
ATOM   444 C CD  . ARG C 1 12 ? -21.136 9.620  50.301 1.00 27.33 ? 12  ARG C CD  1 
ATOM   445 N NE  . ARG C 1 12 ? -21.444 10.777 51.131 1.00 31.22 ? 12  ARG C NE  1 
ATOM   446 C CZ  . ARG C 1 12 ? -22.647 11.325 51.222 1.00 27.70 ? 12  ARG C CZ  1 
ATOM   447 N NH1 . ARG C 1 12 ? -23.657 10.897 50.482 1.00 31.36 ? 12  ARG C NH1 1 
ATOM   448 N NH2 . ARG C 1 12 ? -22.840 12.336 52.066 1.00 28.05 ? 12  ARG C NH2 1 
ATOM   449 N N   . GLY C 1 13 ? -17.098 8.155  52.073 1.00 16.23 ? 13  GLY C N   1 
ATOM   450 C CA  . GLY C 1 13 ? -16.748 7.604  53.366 1.00 16.15 ? 13  GLY C CA  1 
ATOM   451 C C   . GLY C 1 13 ? -17.874 6.788  53.976 1.00 16.42 ? 13  GLY C C   1 
ATOM   452 O O   . GLY C 1 13 ? -19.026 6.802  53.540 1.00 16.21 ? 13  GLY C O   1 
ATOM   453 N N   . LEU C 1 14 ? -17.505 6.051  55.020 1.00 14.54 ? 14  LEU C N   1 
ATOM   454 C CA  . LEU C 1 14 ? -18.455 5.260  55.789 1.00 15.32 ? 14  LEU C CA  1 
ATOM   455 C C   . LEU C 1 14 ? -19.474 6.156  56.484 1.00 15.88 ? 14  LEU C C   1 
ATOM   456 O O   . LEU C 1 14 ? -19.201 7.317  56.802 1.00 16.88 ? 14  LEU C O   1 
ATOM   457 C CB  . LEU C 1 14 ? -17.716 4.431  56.837 1.00 17.63 ? 14  LEU C CB  1 
ATOM   458 C CG  . LEU C 1 14 ? -16.907 3.242  56.326 1.00 26.77 ? 14  LEU C CG  1 
ATOM   459 C CD1 . LEU C 1 14 ? -15.906 2.801  57.379 1.00 27.63 ? 14  LEU C CD1 1 
ATOM   460 C CD2 . LEU C 1 14 ? -17.830 2.102  55.942 1.00 25.00 ? 14  LEU C CD2 1 
ATOM   461 N N   . ARG C 1 15 ? -20.659 5.601  56.735 1.00 15.20 ? 15  ARG C N   1 
ATOM   462 C CA  . ARG C 1 15 ? -21.664 6.332  57.490 1.00 12.84 ? 15  ARG C CA  1 
ATOM   463 C C   . ARG C 1 15 ? -21.177 6.553  58.916 1.00 12.41 ? 15  ARG C C   1 
ATOM   464 O O   . ARG C 1 15 ? -20.532 5.683  59.511 1.00 14.22 ? 15  ARG C O   1 
ATOM   465 C CB  . ARG C 1 15 ? -22.996 5.573  57.496 1.00 14.02 ? 15  ARG C CB  1 
ATOM   466 C CG  . ARG C 1 15 ? -24.064 6.202  58.386 1.00 19.14 ? 15  ARG C CG  1 
ATOM   467 C CD  . ARG C 1 15 ? -25.422 6.290  57.705 1.00 24.39 ? 15  ARG C CD  1 
ATOM   468 N NE  . ARG C 1 15 ? -26.227 7.389  58.230 1.00 20.29 ? 15  ARG C NE  1 
ATOM   469 C CZ  . ARG C 1 15 ? -27.545 7.354  58.372 1.00 24.23 ? 15  ARG C CZ  1 
ATOM   470 N NH1 . ARG C 1 15 ? -28.244 6.270  58.073 1.00 29.10 ? 15  ARG C NH1 1 
ATOM   471 N NH2 . ARG C 1 15 ? -28.179 8.433  58.825 1.00 26.98 ? 15  ARG C NH2 1 
ATOM   472 N N   . GLY C 1 16 ? -21.479 7.732  59.457 1.00 12.62 ? 16  GLY C N   1 
ATOM   473 C CA  . GLY C 1 16 ? -21.087 8.044  60.814 1.00 10.93 ? 16  GLY C CA  1 
ATOM   474 C C   . GLY C 1 16 ? -21.729 7.113  61.823 1.00 12.29 ? 16  GLY C C   1 
ATOM   475 O O   . GLY C 1 16 ? -22.689 6.396  61.542 1.00 10.50 ? 16  GLY C O   1 
ATOM   476 N N   . GLU C 1 17 ? -21.168 7.121  63.024 1.00 10.34 ? 17  GLU C N   1 
ATOM   477 C CA  . GLU C 1 17 ? -21.673 6.259  64.069 1.00 10.74 ? 17  GLU C CA  1 
ATOM   478 C C   . GLU C 1 17 ? -23.018 6.787  64.567 1.00 12.68 ? 17  GLU C C   1 
ATOM   479 O O   . GLU C 1 17 ? -23.313 7.978  64.431 1.00 9.57  ? 17  GLU C O   1 
ATOM   480 C CB  . GLU C 1 17 ? -20.663 6.188  65.210 1.00 11.71 ? 17  GLU C CB  1 
ATOM   481 C CG  . GLU C 1 17 ? -19.598 5.131  64.985 1.00 18.79 ? 17  GLU C CG  1 
ATOM   482 C CD  . GLU C 1 17 ? -18.361 5.354  65.828 1.00 25.81 ? 17  GLU C CD  1 
ATOM   483 O OE1 . GLU C 1 17 ? -17.284 4.844  65.444 1.00 32.98 ? 17  GLU C OE1 1 
ATOM   484 O OE2 . GLU C 1 17 ? -18.464 6.047  66.863 1.00 27.84 ? 17  GLU C OE2 1 
ATOM   485 N N   . PRO C 1 18 ? -23.863 5.916  65.121 1.00 11.01 ? 18  PRO C N   1 
ATOM   486 C CA  . PRO C 1 18 ? -25.126 6.388  65.693 1.00 9.44  ? 18  PRO C CA  1 
ATOM   487 C C   . PRO C 1 18 ? -24.864 7.371  66.823 1.00 9.11  ? 18  PRO C C   1 
ATOM   488 O O   . PRO C 1 18 ? -23.842 7.301  67.509 1.00 9.18  ? 18  PRO C O   1 
ATOM   489 C CB  . PRO C 1 18 ? -25.783 5.103  66.218 1.00 14.31 ? 18  PRO C CB  1 
ATOM   490 C CG  . PRO C 1 18 ? -25.157 4.014  65.445 1.00 16.05 ? 18  PRO C CG  1 
ATOM   491 C CD  . PRO C 1 18 ? -23.737 4.453  65.216 1.00 13.06 ? 18  PRO C CD  1 
ATOM   492 N N   . GLY C 1 19 ? -25.808 8.287  67.019 1.00 7.87  ? 19  GLY C N   1 
ATOM   493 C CA  . GLY C 1 19 ? -25.699 9.264  68.075 1.00 4.68  ? 19  GLY C CA  1 
ATOM   494 C C   . GLY C 1 19 ? -25.821 8.632  69.447 1.00 4.17  ? 19  GLY C C   1 
ATOM   495 O O   . GLY C 1 19 ? -26.216 7.469  69.591 1.00 7.39  ? 19  GLY C O   1 
ATOM   496 N N   . PRO C 1 20 ? -25.473 9.391  70.492 1.00 5.26  ? 20  PRO C N   1 
ATOM   497 C CA  . PRO C 1 20 ? -25.571 8.852  71.850 1.00 5.27  ? 20  PRO C CA  1 
ATOM   498 C C   . PRO C 1 20 ? -27.022 8.689  72.272 1.00 5.29  ? 20  PRO C C   1 
ATOM   499 O O   . PRO C 1 20 ? -27.908 9.347  71.724 1.00 6.24  ? 20  PRO C O   1 
ATOM   500 C CB  . PRO C 1 20 ? -24.873 9.910  72.707 1.00 8.21  ? 20  PRO C CB  1 
ATOM   501 C CG  . PRO C 1 20 ? -24.949 11.165 71.906 1.00 11.15 ? 20  PRO C CG  1 
ATOM   502 C CD  . PRO C 1 20 ? -24.913 10.755 70.466 1.00 6.86  ? 20  PRO C CD  1 
HETATM 503 N N   . HYP C 1 21 ? -27.262 7.814  73.236 1.00 4.94  ? 21  HYP C N   1 
HETATM 504 C CA  . HYP C 1 21 ? -28.606 7.714  73.824 1.00 3.23  ? 21  HYP C CA  1 
HETATM 505 C C   . HYP C 1 21 ? -29.097 9.107  74.348 1.00 2.36  ? 21  HYP C C   1 
HETATM 506 O O   . HYP C 1 21 ? -28.277 9.921  74.809 1.00 5.41  ? 21  HYP C O   1 
HETATM 507 C CB  . HYP C 1 21 ? -28.548 6.674  74.949 1.00 6.09  ? 21  HYP C CB  1 
HETATM 508 C CG  . HYP C 1 21 ? -27.378 5.775  74.556 1.00 3.81  ? 21  HYP C CG  1 
HETATM 509 C CD  . HYP C 1 21 ? -26.425 6.835  73.962 1.00 2.08  ? 21  HYP C CD  1 
HETATM 510 O OD1 . HYP C 1 21 ? -27.680 4.754  73.657 1.00 6.66  ? 21  HYP C OD1 1 
ATOM   511 N N   . GLY C 1 22 ? -30.398 9.361  74.245 1.00 4.96  ? 22  GLY C N   1 
ATOM   512 C CA  . GLY C 1 22 ? -30.949 10.608 74.730 1.00 2.29  ? 22  GLY C CA  1 
ATOM   513 C C   . GLY C 1 22 ? -30.818 10.751 76.232 1.00 2.31  ? 22  GLY C C   1 
ATOM   514 O O   . GLY C 1 22 ? -30.362 9.836  76.915 1.00 6.22  ? 22  GLY C O   1 
ATOM   515 N N   . PRO C 1 23 ? -31.224 11.913 76.759 1.00 4.27  ? 23  PRO C N   1 
ATOM   516 C CA  . PRO C 1 23 ? -31.231 12.155 78.201 1.00 6.32  ? 23  PRO C CA  1 
ATOM   517 C C   . PRO C 1 23 ? -32.364 11.400 78.882 1.00 2.62  ? 23  PRO C C   1 
ATOM   518 O O   . PRO C 1 23 ? -33.320 10.994 78.217 1.00 4.90  ? 23  PRO C O   1 
ATOM   519 C CB  . PRO C 1 23 ? -31.458 13.660 78.302 1.00 6.95  ? 23  PRO C CB  1 
ATOM   520 C CG  . PRO C 1 23 ? -32.243 13.984 77.075 1.00 4.28  ? 23  PRO C CG  1 
ATOM   521 C CD  . PRO C 1 23 ? -31.695 13.082 75.999 1.00 7.49  ? 23  PRO C CD  1 
HETATM 522 N N   . HYP C 1 24 ? -32.270 11.241 80.194 1.00 4.49  ? 24  HYP C N   1 
HETATM 523 C CA  . HYP C 1 24 ? -33.359 10.595 80.966 1.00 2.94  ? 24  HYP C CA  1 
HETATM 524 C C   . HYP C 1 24 ? -34.750 11.312 80.801 1.00 6.16  ? 24  HYP C C   1 
HETATM 525 O O   . HYP C 1 24 ? -34.798 12.552 80.690 1.00 3.12  ? 24  HYP C O   1 
HETATM 526 C CB  . HYP C 1 24 ? -32.921 10.578 82.441 1.00 4.53  ? 24  HYP C CB  1 
HETATM 527 C CG  . HYP C 1 24 ? -31.399 10.504 82.342 1.00 2.82  ? 24  HYP C CG  1 
HETATM 528 C CD  . HYP C 1 24 ? -31.172 11.471 81.162 1.00 5.48  ? 24  HYP C CD  1 
HETATM 529 O OD1 . HYP C 1 24 ? -30.876 9.231  82.102 1.00 5.34  ? 24  HYP C OD1 1 
ATOM   530 N N   . GLY C 1 25 ? -35.829 10.527 80.797 1.00 3.34  ? 25  GLY C N   1 
ATOM   531 C CA  . GLY C 1 25 ? -37.162 11.075 80.625 1.00 6.67  ? 25  GLY C CA  1 
ATOM   532 C C   . GLY C 1 25 ? -37.636 11.897 81.808 1.00 3.79  ? 25  GLY C C   1 
ATOM   533 O O   . GLY C 1 25 ? -36.964 11.963 82.832 1.00 3.76  ? 25  GLY C O   1 
ATOM   534 N N   . PRO C 1 26 ? -38.813 12.520 81.674 1.00 4.04  ? 26  PRO C N   1 
ATOM   535 C CA  . PRO C 1 26 ? -39.413 13.330 82.734 1.00 4.47  ? 26  PRO C CA  1 
ATOM   536 C C   . PRO C 1 26 ? -39.881 12.469 83.896 1.00 6.58  ? 26  PRO C C   1 
ATOM   537 O O   . PRO C 1 26 ? -40.125 11.274 83.736 1.00 4.64  ? 26  PRO C O   1 
ATOM   538 C CB  . PRO C 1 26 ? -40.615 13.992 82.052 1.00 8.36  ? 26  PRO C CB  1 
ATOM   539 C CG  . PRO C 1 26 ? -40.464 13.718 80.599 1.00 7.95  ? 26  PRO C CG  1 
ATOM   540 C CD  . PRO C 1 26 ? -39.649 12.484 80.466 1.00 4.13  ? 26  PRO C CD  1 
HETATM 541 N N   . HYP C 1 27 ? -40.009 13.089 85.056 1.00 7.98  ? 27  HYP C N   1 
HETATM 542 C CA  . HYP C 1 27 ? -40.598 12.420 86.209 1.00 8.10  ? 27  HYP C CA  1 
HETATM 543 C C   . HYP C 1 27 ? -42.085 12.005 85.924 1.00 10.16 ? 27  HYP C C   1 
HETATM 544 O O   . HYP C 1 27 ? -42.768 12.665 85.118 1.00 14.14 ? 27  HYP C O   1 
HETATM 545 C CB  . HYP C 1 27 ? -40.507 13.379 87.409 1.00 9.58  ? 27  HYP C CB  1 
HETATM 546 C CG  . HYP C 1 27 ? -39.420 14.390 87.027 1.00 11.16 ? 27  HYP C CG  1 
HETATM 547 C CD  . HYP C 1 27 ? -39.598 14.443 85.497 1.00 9.05  ? 27  HYP C CD  1 
HETATM 548 O OD1 . HYP C 1 27 ? -38.124 14.042 87.396 1.00 16.10 ? 27  HYP C OD1 1 
ATOM   549 N N   . GLY C 1 28 ? -42.543 10.932 86.559 1.00 10.98 ? 28  GLY C N   1 
ATOM   550 C CA  . GLY C 1 28 ? -43.936 10.543 86.458 1.00 14.12 ? 28  GLY C CA  1 
ATOM   551 C C   . GLY C 1 28 ? -44.859 11.550 87.118 1.00 16.49 ? 28  GLY C C   1 
ATOM   552 O O   . GLY C 1 28 ? -46.044 11.629 86.787 1.00 15.51 ? 28  GLY C O   1 
HETATM 553 O O   . HOH D 2 .  ? -38.304 8.264  71.555 1.00 29.02 ? 101 HOH A O   1 
HETATM 554 O O   . HOH D 2 .  ? -38.956 1.734  79.793 1.00 12.96 ? 102 HOH A O   1 
HETATM 555 O O   . HOH D 2 .  ? -1.899  8.267  44.729 1.00 28.30 ? 103 HOH A O   1 
HETATM 556 O O   . HOH D 2 .  ? 3.882   5.469  32.849 1.00 27.82 ? 104 HOH A O   1 
HETATM 557 O O   . HOH D 2 .  ? -31.924 3.777  75.492 1.00 11.88 ? 105 HOH A O   1 
HETATM 558 O O   . HOH D 2 .  ? -37.392 4.827  85.616 1.00 14.52 ? 106 HOH A O   1 
HETATM 559 O O   . HOH D 2 .  ? -33.789 7.463  67.642 1.00 37.20 ? 107 HOH A O   1 
HETATM 560 O O   . HOH D 2 .  ? -23.981 14.393 49.100 1.00 25.41 ? 108 HOH A O   1 
HETATM 561 O O   . HOH D 2 .  ? -37.259 4.508  88.089 1.00 18.63 ? 109 HOH A O   1 
HETATM 562 O O   . HOH D 2 .  ? -22.401 11.427 46.847 1.00 30.11 ? 110 HOH A O   1 
HETATM 563 O O   . HOH D 2 .  ? -34.167 8.358  85.237 1.00 7.49  ? 111 HOH A O   1 
HETATM 564 O O   . HOH D 2 .  ? -21.821 7.508  53.974 1.00 18.06 ? 112 HOH A O   1 
HETATM 565 O O   . HOH D 2 .  ? -29.404 4.481  67.010 1.00 15.45 ? 113 HOH A O   1 
HETATM 566 O O   . HOH D 2 .  ? -20.964 13.445 57.934 1.00 17.10 ? 114 HOH A O   1 
HETATM 567 O O   . HOH D 2 .  ? -32.309 5.761  65.939 1.00 35.94 ? 115 HOH A O   1 
HETATM 568 O O   . HOH D 2 .  ? -27.579 11.233 57.625 1.00 33.09 ? 116 HOH A O   1 
HETATM 569 O O   . HOH D 2 .  ? -28.671 11.445 60.052 1.00 32.59 ? 117 HOH A O   1 
HETATM 570 O O   . HOH D 2 .  ? -10.982 13.289 40.922 1.00 22.83 ? 118 HOH A O   1 
HETATM 571 O O   . HOH D 2 .  ? -13.612 15.353 49.409 1.00 27.66 ? 119 HOH A O   1 
HETATM 572 O O   . HOH D 2 .  ? -17.408 15.906 52.105 1.00 19.43 ? 120 HOH A O   1 
HETATM 573 O O   . HOH D 2 .  ? 2.575   10.312 38.001 1.00 22.38 ? 121 HOH A O   1 
HETATM 574 O O   . HOH D 2 .  ? -20.039 10.281 46.382 1.00 25.86 ? 122 HOH A O   1 
HETATM 575 O O   . HOH D 2 .  ? 1.078   10.877 44.068 1.00 31.12 ? 123 HOH A O   1 
HETATM 576 O O   . HOH D 2 .  ? -11.230 12.934 52.716 1.00 36.47 ? 124 HOH A O   1 
HETATM 577 O O   . HOH D 2 .  ? -27.672 2.786  68.164 1.00 21.82 ? 125 HOH A O   1 
HETATM 578 O O   . HOH D 2 .  ? -36.967 -0.325 80.166 1.00 14.25 ? 126 HOH A O   1 
HETATM 579 O O   . HOH D 2 .  ? -26.010 2.861  61.595 1.00 36.82 ? 127 HOH A O   1 
HETATM 580 O O   . HOH D 2 .  ? 0.043   6.387  44.576 1.00 44.33 ? 128 HOH A O   1 
HETATM 581 O O   . HOH D 2 .  ? 2.042   7.889  39.460 1.00 31.36 ? 129 HOH A O   1 
HETATM 582 O O   . HOH D 2 .  ? -20.542 16.128 57.089 1.00 34.80 ? 130 HOH A O   1 
HETATM 583 O O   . HOH E 2 .  ? -45.135 6.704  94.441 1.00 44.71 ? 101 HOH B O   1 
HETATM 584 O O   . HOH E 2 .  ? -48.010 5.328  83.114 1.00 12.60 ? 102 HOH B O   1 
HETATM 585 O O   . HOH E 2 .  ? -45.943 7.826  84.389 1.00 40.42 ? 103 HOH B O   1 
HETATM 586 O O   . HOH E 2 .  ? -18.976 8.779  63.223 1.00 13.51 ? 104 HOH B O   1 
HETATM 587 O O   . HOH E 2 .  ? -43.729 13.455 78.374 1.00 10.69 ? 105 HOH B O   1 
HETATM 588 O O   . HOH E 2 .  ? -12.775 16.789 58.186 1.00 41.62 ? 106 HOH B O   1 
HETATM 589 O O   . HOH E 2 .  ? -50.246 7.956  84.537 1.00 17.94 ? 107 HOH B O   1 
HETATM 590 O O   . HOH E 2 .  ? -34.929 16.135 78.320 1.00 8.76  ? 108 HOH B O   1 
HETATM 591 O O   . HOH E 2 .  ? -8.954  5.985  38.652 1.00 21.92 ? 109 HOH B O   1 
HETATM 592 O O   . HOH E 2 .  ? -33.505 16.490 74.070 1.00 12.77 ? 110 HOH B O   1 
HETATM 593 O O   . HOH E 2 .  ? -38.953 11.903 73.867 1.00 10.41 ? 111 HOH B O   1 
HETATM 594 O O   . HOH E 2 .  ? -2.941  3.201  35.866 1.00 30.95 ? 112 HOH B O   1 
HETATM 595 O O   . HOH E 2 .  ? -28.242 12.342 63.483 1.00 24.17 ? 113 HOH B O   1 
HETATM 596 O O   . HOH E 2 .  ? -11.611 5.374  46.914 1.00 20.81 ? 114 HOH B O   1 
HETATM 597 O O   . HOH E 2 .  ? -14.668 6.325  55.679 1.00 16.47 ? 115 HOH B O   1 
HETATM 598 O O   . HOH E 2 .  ? -13.108 12.994 53.166 1.00 26.79 ? 116 HOH B O   1 
HETATM 599 O O   . HOH E 2 .  ? -32.757 12.727 67.894 1.00 13.89 ? 117 HOH B O   1 
HETATM 600 O O   . HOH E 2 .  ? -40.585 4.631  83.186 1.00 31.77 ? 118 HOH B O   1 
HETATM 601 O O   . HOH E 2 .  ? -13.789 11.042 60.915 1.00 27.45 ? 119 HOH B O   1 
HETATM 602 O O   . HOH E 2 .  ? -38.729 8.231  74.324 1.00 11.02 ? 120 HOH B O   1 
HETATM 603 O O   . HOH E 2 .  ? -4.907  7.120  28.343 1.00 27.36 ? 121 HOH B O   1 
HETATM 604 O O   . HOH E 2 .  ? -26.218 17.484 67.735 1.00 14.42 ? 122 HOH B O   1 
HETATM 605 O O   . HOH E 2 .  ? -18.514 13.319 64.763 1.00 16.06 ? 123 HOH B O   1 
HETATM 606 O O   . HOH E 2 .  ? -20.942 12.504 71.168 1.00 19.55 ? 124 HOH B O   1 
HETATM 607 O O   . HOH E 2 .  ? -16.265 11.256 62.014 1.00 23.15 ? 125 HOH B O   1 
HETATM 608 O O   . HOH E 2 .  ? -4.699  8.023  45.893 1.00 25.19 ? 126 HOH B O   1 
HETATM 609 O O   . HOH E 2 .  ? -16.729 9.047  67.234 1.00 35.45 ? 127 HOH B O   1 
HETATM 610 O O   . HOH E 2 .  ? -22.583 7.118  74.310 1.00 5.43  ? 128 HOH B O   1 
HETATM 611 O O   . HOH E 2 .  ? -16.239 12.315 64.512 1.00 20.76 ? 129 HOH B O   1 
HETATM 612 O O   . HOH E 2 .  ? -46.367 12.577 78.327 1.00 6.41  ? 130 HOH B O   1 
HETATM 613 O O   . HOH E 2 .  ? -15.791 11.643 66.999 1.00 19.27 ? 131 HOH B O   1 
HETATM 614 O O   . HOH F 2 .  ? 5.875   13.152 29.664 1.00 27.25 ? 101 HOH C O   1 
HETATM 615 O O   . HOH F 2 .  ? -47.318 10.311 84.973 1.00 15.11 ? 102 HOH C O   1 
HETATM 616 O O   . HOH F 2 .  ? -5.592  17.190 36.302 1.00 18.90 ? 103 HOH C O   1 
HETATM 617 O O   . HOH F 2 .  ? -28.256 9.802  78.478 1.00 5.71  ? 104 HOH C O   1 
HETATM 618 O O   . HOH F 2 .  ? -44.215 12.592 82.887 1.00 20.70 ? 105 HOH C O   1 
HETATM 619 O O   . HOH F 2 .  ? -18.723 5.899  47.060 1.00 25.85 ? 106 HOH C O   1 
HETATM 620 O O   . HOH F 2 .  ? -36.543 14.507 80.121 1.00 5.90  ? 107 HOH C O   1 
HETATM 621 O O   . HOH F 2 .  ? -18.843 8.619  67.535 1.00 38.80 ? 108 HOH C O   1 
HETATM 622 O O   . HOH F 2 .  ? -24.595 5.460  70.357 1.00 17.27 ? 109 HOH C O   1 
HETATM 623 O O   . HOH F 2 .  ? -3.671  14.279 33.264 1.00 21.28 ? 110 HOH C O   1 
HETATM 624 O O   . HOH F 2 .  ? -15.551 5.225  67.505 1.00 31.03 ? 111 HOH C O   1 
HETATM 625 O O   . HOH F 2 .  ? -28.258 9.173  81.276 1.00 5.64  ? 112 HOH C O   1 
HETATM 626 O O   . HOH F 2 .  ? -28.140 12.580 75.507 1.00 7.16  ? 113 HOH C O   1 
HETATM 627 O O   . HOH F 2 .  ? -34.912 13.384 84.026 1.00 9.42  ? 114 HOH C O   1 
HETATM 628 O O   . HOH F 2 .  ? -26.391 11.420 50.470 1.00 30.14 ? 115 HOH C O   1 
HETATM 629 O O   . HOH F 2 .  ? -25.329 5.527  61.898 1.00 14.93 ? 116 HOH C O   1 
HETATM 630 O O   . HOH F 2 .  ? -21.729 3.210  55.635 1.00 26.48 ? 117 HOH C O   1 
HETATM 631 O O   . HOH F 2 .  ? -16.892 10.684 46.635 1.00 25.03 ? 118 HOH C O   1 
HETATM 632 O O   . HOH F 2 .  ? -47.269 13.572 88.558 1.00 42.48 ? 119 HOH C O   1 
HETATM 633 O O   . HOH F 2 .  ? -10.654 10.906 33.982 1.00 26.68 ? 120 HOH C O   1 
HETATM 634 O O   . HOH F 2 .  ? -26.188 9.073  76.652 1.00 5.52  ? 121 HOH C O   1 
HETATM 635 O O   . HOH F 2 .  ? -16.782 8.154  43.922 1.00 22.67 ? 122 HOH C O   1 
HETATM 636 O O   . HOH F 2 .  ? -25.620 13.186 51.667 1.00 42.59 ? 123 HOH C O   1 
HETATM 637 O O   . HOH F 2 .  ? -16.588 3.395  52.208 1.00 25.43 ? 124 HOH C O   1 
HETATM 638 O O   . HOH F 2 .  ? -15.185 -0.172 50.647 1.00 28.31 ? 125 HOH C O   1 
HETATM 639 O O   . HOH F 2 .  ? -31.249 8.677  59.719 1.00 23.66 ? 126 HOH C O   1 
HETATM 640 O O   . HOH F 2 .  ? -22.936 8.975  47.916 1.00 43.10 ? 127 HOH C O   1 
HETATM 641 O O   . HOH F 2 .  ? 2.796   14.671 24.234 1.00 21.76 ? 128 HOH C O   1 
HETATM 642 O O   . HOH F 2 .  ? -49.444 10.670 86.361 1.00 14.06 ? 129 HOH C O   1 
HETATM 643 O O   . HOH F 2 .  ? -27.881 11.529 82.581 1.00 11.84 ? 130 HOH C O   1 
HETATM 644 O O   . HOH F 2 .  ? -27.213 1.579  70.459 1.00 12.94 ? 131 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   C C   . ACE A 1  ? 0.1405 0.3452 0.1581 -0.0043 0.0576  -0.0411 1  ACE A C   
2   O O   . ACE A 1  ? 0.1996 0.2721 0.2028 -0.0206 0.0254  -0.0110 1  ACE A O   
3   C CH3 . ACE A 1  ? 0.1909 0.2669 0.2018 -0.0155 0.0257  -0.0127 1  ACE A CH3 
4   N N   . PRO A 2  ? 0.2389 0.3599 0.2610 -0.0137 0.0482  -0.0024 2  PRO A N   
5   C CA  . PRO A 2  ? 0.1881 0.3039 0.2082 -0.0112 0.0458  0.0005  2  PRO A CA  
6   C C   . PRO A 2  ? 0.1877 0.2953 0.2020 -0.0080 0.0471  -0.0003 2  PRO A C   
7   O O   . PRO A 2  ? 0.1971 0.3024 0.2058 -0.0083 0.0486  -0.0025 2  PRO A O   
8   C CB  . PRO A 2  ? 0.2287 0.3416 0.2402 -0.0152 0.0411  0.0028  2  PRO A CB  
9   C CG  . PRO A 2  ? 0.2579 0.3747 0.2692 -0.0196 0.0418  0.0013  2  PRO A CG  
10  C CD  . PRO A 2  ? 0.2530 0.3711 0.2661 -0.0176 0.0459  -0.0015 2  PRO A CD  
11  N N   . HYP A 3  ? 0.2089 0.3129 0.2245 -0.0046 0.0467  0.0018  3  HYP A N   
12  C CA  . HYP A 3  ? 0.1863 0.2820 0.1964 -0.0016 0.0481  0.0010  3  HYP A CA  
13  C C   . HYP A 3  ? 0.1818 0.2689 0.1777 -0.0033 0.0448  0.0020  3  HYP A C   
14  O O   . HYP A 3  ? 0.2121 0.2975 0.2023 -0.0064 0.0413  0.0040  3  HYP A O   
15  C CB  . HYP A 3  ? 0.2215 0.3147 0.2351 0.0026  0.0482  0.0041  3  HYP A CB  
16  C CG  . HYP A 3  ? 0.2073 0.3101 0.2322 0.0032  0.0490  0.0062  3  HYP A CG  
17  C CD  . HYP A 3  ? 0.2243 0.3322 0.2464 -0.0022 0.0455  0.0055  3  HYP A CD  
18  O OD1 . HYP A 3  ? 0.2970 0.4031 0.3328 0.0054  0.0557  0.0038  3  HYP A OD1 
19  N N   . GLY A 4  ? 0.2008 0.2834 0.1917 -0.0014 0.0469  0.0002  4  GLY A N   
20  C CA  . GLY A 4  ? 0.1889 0.2630 0.1670 -0.0017 0.0452  0.0017  4  GLY A CA  
21  C C   . GLY A 4  ? 0.2012 0.2662 0.1725 -0.0015 0.0418  0.0048  4  GLY A C   
22  O O   . GLY A 4  ? 0.1917 0.2578 0.1681 0.0001  0.0408  0.0060  4  GLY A O   
23  N N   . PRO A 5  ? 0.1990 0.2551 0.1583 -0.0030 0.0406  0.0064  5  PRO A N   
24  C CA  . PRO A 5  ? 0.2313 0.2789 0.1832 -0.0038 0.0378  0.0086  5  PRO A CA  
25  C C   . PRO A 5  ? 0.2151 0.2573 0.1657 0.0008  0.0384  0.0089  5  PRO A C   
26  O O   . PRO A 5  ? 0.2007 0.2436 0.1530 0.0039  0.0413  0.0072  5  PRO A O   
27  C CB  . PRO A 5  ? 0.2362 0.2744 0.1758 -0.0066 0.0386  0.0095  5  PRO A CB  
28  C CG  . PRO A 5  ? 0.2622 0.3024 0.2016 -0.0039 0.0421  0.0089  5  PRO A CG  
29  C CD  . PRO A 5  ? 0.2370 0.2905 0.1889 -0.0037 0.0427  0.0066  5  PRO A CD  
30  N N   . HYP A 6  ? 0.2460 0.2841 0.1937 0.0010  0.0357  0.0108  6  HYP A N   
31  C CA  . HYP A 6  ? 0.2238 0.2557 0.1696 0.0053  0.0364  0.0115  6  HYP A CA  
32  C C   . HYP A 6  ? 0.2254 0.2469 0.1606 0.0066  0.0381  0.0112  6  HYP A C   
33  O O   . HYP A 6  ? 0.2243 0.2393 0.1500 0.0038  0.0378  0.0120  6  HYP A O   
34  C CB  . HYP A 6  ? 0.2359 0.2666 0.1791 0.0049  0.0329  0.0141  6  HYP A CB  
35  C CG  . HYP A 6  ? 0.2753 0.3174 0.2251 0.0016  0.0307  0.0147  6  HYP A CG  
36  C CD  . HYP A 6  ? 0.2318 0.2735 0.1794 -0.0024 0.0320  0.0124  6  HYP A CD  
37  O OD1 . HYP A 6  ? 0.2725 0.3241 0.2346 0.0051  0.0319  0.0157  6  HYP A OD1 
38  N N   . GLY A 7  ? 0.2087 0.2290 0.1461 0.0107  0.0407  0.0100  7  GLY A N   
39  C CA  . GLY A 7  ? 0.2789 0.2909 0.2071 0.0127  0.0422  0.0103  7  GLY A CA  
40  C C   . GLY A 7  ? 0.2266 0.2268 0.1444 0.0122  0.0400  0.0128  7  GLY A C   
41  O O   . GLY A 7  ? 0.2391 0.2393 0.1579 0.0110  0.0373  0.0140  7  GLY A O   
42  N N   . LEU A 8  ? 0.2687 0.2601 0.1765 0.0133  0.0415  0.0138  8  LEU A N   
43  C CA  . LEU A 8  ? 0.2341 0.2130 0.1309 0.0123  0.0404  0.0157  8  LEU A CA  
44  C C   . LEU A 8  ? 0.2566 0.2326 0.1547 0.0155  0.0395  0.0160  8  LEU A C   
45  O O   . LEU A 8  ? 0.2570 0.2380 0.1628 0.0190  0.0412  0.0146  8  LEU A O   
46  C CB  . LEU A 8  ? 0.2786 0.2483 0.1649 0.0137  0.0436  0.0173  8  LEU A CB  
47  C CG  . LEU A 8  ? 0.2788 0.2475 0.1610 0.0106  0.0456  0.0182  8  LEU A CG  
48  C CD1 . LEU A 8  ? 0.2784 0.2435 0.1542 0.0147  0.0501  0.0205  8  LEU A CD1 
49  C CD2 . LEU A 8  ? 0.3140 0.2731 0.1882 0.0046  0.0448  0.0184  8  LEU A CD2 
50  N N   . PRO A 9  ? 0.2541 0.2220 0.1445 0.0139  0.0374  0.0174  9  PRO A N   
51  C CA  . PRO A 9  ? 0.2705 0.2353 0.1614 0.0173  0.0368  0.0183  9  PRO A CA  
52  C C   . PRO A 9  ? 0.2509 0.2096 0.1392 0.0217  0.0401  0.0178  9  PRO A C   
53  O O   . PRO A 9  ? 0.2486 0.2020 0.1301 0.0219  0.0421  0.0180  9  PRO A O   
54  C CB  . PRO A 9  ? 0.2870 0.2446 0.1677 0.0137  0.0342  0.0196  9  PRO A CB  
55  C CG  . PRO A 9  ? 0.2966 0.2591 0.1769 0.0077  0.0327  0.0187  9  PRO A CG  
56  C CD  . PRO A 9  ? 0.2954 0.2586 0.1776 0.0081  0.0358  0.0178  9  PRO A CD  
57  N N   . GLY A 10 ? 0.3264 0.2861 0.2204 0.0255  0.0412  0.0175  10 GLY A N   
58  C CA  . GLY A 10 ? 0.2562 0.2113 0.1485 0.0291  0.0444  0.0164  10 GLY A CA  
59  C C   . GLY A 10 ? 0.2974 0.2396 0.1770 0.0295  0.0441  0.0184  10 GLY A C   
60  O O   . GLY A 10 ? 0.3252 0.2612 0.1976 0.0270  0.0415  0.0202  10 GLY A O   
61  N N   . GLU A 11 ? 0.2418 0.1811 0.1187 0.0325  0.0471  0.0176  11 GLU A N   
62  C CA  . GLU A 11 ? 0.2885 0.2153 0.1539 0.0338  0.0478  0.0196  11 GLU A CA  
63  C C   . GLU A 11 ? 0.2522 0.1723 0.1161 0.0351  0.0468  0.0203  11 GLU A C   
64  O O   . GLU A 11 ? 0.2811 0.2059 0.1535 0.0373  0.0478  0.0191  11 GLU A O   
65  C CB  . GLU A 11 ? 0.3044 0.2328 0.1688 0.0374  0.0514  0.0189  11 GLU A CB  
66  C CG  . GLU A 11 ? 0.2831 0.1994 0.1372 0.0399  0.0530  0.0209  11 GLU A CG  
67  C CD  . GLU A 11 ? 0.3320 0.2535 0.1865 0.0441  0.0565  0.0203  11 GLU A CD  
68  O OE1 . GLU A 11 ? 0.3926 0.3278 0.2569 0.0447  0.0578  0.0170  11 GLU A OE1 
69  O OE2 . GLU A 11 ? 0.3334 0.2462 0.1784 0.0465  0.0585  0.0231  11 GLU A OE2 
70  N N   . ARG A 12 ? 0.2613 0.1702 0.1141 0.0337  0.0456  0.0223  12 ARG A N   
71  C CA  . ARG A 12 ? 0.2719 0.1745 0.1219 0.0354  0.0448  0.0234  12 ARG A CA  
72  C C   . ARG A 12 ? 0.2615 0.1618 0.1141 0.0402  0.0483  0.0224  12 ARG A C   
73  O O   . ARG A 12 ? 0.2831 0.1829 0.1341 0.0418  0.0510  0.0215  12 ARG A O   
74  C CB  . ARG A 12 ? 0.3057 0.1965 0.1422 0.0324  0.0437  0.0248  12 ARG A CB  
75  C CG  . ARG A 12 ? 0.2804 0.1652 0.1128 0.0341  0.0428  0.0261  12 ARG A CG  
76  C CD  . ARG A 12 ? 0.3219 0.1963 0.1409 0.0300  0.0419  0.0267  12 ARG A CD  
77  N NE  . ARG A 12 ? 0.3526 0.2294 0.1701 0.0294  0.0387  0.0278  12 ARG A NE  
78  C CZ  . ARG A 12 ? 0.3949 0.2672 0.2021 0.0247  0.0371  0.0276  12 ARG A CZ  
79  N NH1 . ARG A 12 ? 0.4060 0.2691 0.2035 0.0194  0.0390  0.0257  12 ARG A NH1 
80  N NH2 . ARG A 12 ? 0.4294 0.3068 0.2358 0.0252  0.0342  0.0292  12 ARG A NH2 
81  N N   . GLY A 13 ? 0.2605 0.1606 0.1174 0.0427  0.0487  0.0228  13 GLY A N   
82  C CA  . GLY A 13 ? 0.2581 0.1557 0.1182 0.0466  0.0528  0.0213  13 GLY A CA  
83  C C   . GLY A 13 ? 0.2893 0.1760 0.1388 0.0479  0.0539  0.0220  13 GLY A C   
84  O O   . GLY A 13 ? 0.2713 0.1498 0.1101 0.0460  0.0519  0.0241  13 GLY A O   
85  N N   . LEU A 14 ? 0.2688 0.2643 0.1505 0.0445  0.0094  0.0341  14 LEU A N   
86  C CA  . LEU A 14 ? 0.2135 0.2219 0.1101 0.0381  0.0001  0.0283  14 LEU A CA  
87  C C   . LEU A 14 ? 0.2074 0.2220 0.1245 0.0302  0.0019  0.0274  14 LEU A C   
88  O O   . LEU A 14 ? 0.1968 0.2086 0.1140 0.0286  0.0078  0.0283  14 LEU A O   
89  C CB  . LEU A 14 ? 0.2804 0.2915 0.1652 0.0314  -0.0078 0.0158  14 LEU A CB  
90  C CG  . LEU A 14 ? 0.3503 0.3870 0.2454 0.0289  -0.0190 0.0126  14 LEU A CG  
91  C CD1 . LEU A 14 ? 0.3497 0.4031 0.2317 0.0397  -0.0238 0.0188  14 LEU A CD1 
92  C CD2 . LEU A 14 ? 0.3567 0.3987 0.2490 0.0126  -0.0238 -0.0028 14 LEU A CD2 
93  N N   . ARG A 15 ? 0.1708 0.1941 0.1033 0.0276  -0.0005 0.0273  15 ARG A N   
94  C CA  . ARG A 15 ? 0.1550 0.1856 0.1039 0.0187  0.0011  0.0242  15 ARG A CA  
95  C C   . ARG A 15 ? 0.1678 0.1999 0.1183 0.0138  -0.0027 0.0172  15 ARG A C   
96  O O   . ARG A 15 ? 0.1760 0.2067 0.1198 0.0125  -0.0085 0.0110  15 ARG A O   
97  C CB  . ARG A 15 ? 0.1589 0.1902 0.1188 0.0178  0.0027  0.0238  15 ARG A CB  
98  C CG  . ARG A 15 ? 0.1828 0.2207 0.1562 0.0072  0.0053  0.0181  15 ARG A CG  
99  C CD  . ARG A 15 ? 0.2056 0.2336 0.1843 0.0054  0.0146  0.0171  15 ARG A CD  
100 N NE  . ARG A 15 ? 0.2448 0.2787 0.2297 -0.0097 0.0203  0.0095  15 ARG A NE  
101 C CZ  . ARG A 15 ? 0.2340 0.2569 0.2216 -0.0158 0.0303  0.0037  15 ARG A CZ  
102 N NH1 . ARG A 15 ? 0.3058 0.3078 0.2915 -0.0043 0.0392  0.0082  15 ARG A NH1 
103 N NH2 . ARG A 15 ? 0.2558 0.2906 0.2460 -0.0321 0.0337  -0.0055 15 ARG A NH2 
104 N N   . GLY A 16 ? 0.1424 0.1806 0.1007 0.0098  0.0019  0.0184  16 GLY A N   
105 C CA  . GLY A 16 ? 0.1439 0.1790 0.1037 0.0063  0.0032  0.0141  16 GLY A CA  
106 C C   . GLY A 16 ? 0.1386 0.1798 0.1093 -0.0005 -0.0043 0.0058  16 GLY A C   
107 O O   . GLY A 16 ? 0.1324 0.1821 0.1114 0.0005  -0.0087 0.0058  16 GLY A O   
108 N N   . GLU A 17 ? 0.1460 0.1813 0.1160 -0.0065 -0.0023 0.0002  17 GLU A N   
109 C CA  . GLU A 17 ? 0.1682 0.2159 0.1508 -0.0143 -0.0086 -0.0067 17 GLU A CA  
110 C C   . GLU A 17 ? 0.1232 0.1830 0.1230 -0.0138 -0.0069 -0.0035 17 GLU A C   
111 O O   . GLU A 17 ? 0.1173 0.1779 0.1174 -0.0111 -0.0004 0.0020  17 GLU A O   
112 C CB  . GLU A 17 ? 0.1997 0.2351 0.1751 -0.0257 -0.0037 -0.0157 17 GLU A CB  
113 C CG  . GLU A 17 ? 0.2224 0.2371 0.1934 -0.0231 0.0123  -0.0106 17 GLU A CG  
114 C CD  . GLU A 17 ? 0.3457 0.3428 0.3127 -0.0368 0.0221  -0.0199 17 GLU A CD  
115 O OE1 . GLU A 17 ? 0.4419 0.4462 0.4073 -0.0527 0.0148  -0.0334 17 GLU A OE1 
116 O OE2 . GLU A 17 ? 0.3606 0.3398 0.3256 -0.0322 0.0388  -0.0129 17 GLU A OE2 
117 N N   . PRO A 18 ? 0.1167 0.1909 0.1299 -0.0158 -0.0119 -0.0060 18 PRO A N   
118 C CA  . PRO A 18 ? 0.1051 0.1870 0.1311 -0.0162 -0.0080 -0.0048 18 PRO A CA  
119 C C   . PRO A 18 ? 0.1045 0.1846 0.1322 -0.0203 -0.0016 -0.0045 18 PRO A C   
120 O O   . PRO A 18 ? 0.1167 0.1867 0.1398 -0.0251 0.0014  -0.0070 18 PRO A O   
121 C CB  . PRO A 18 ? 0.1041 0.2017 0.1428 -0.0150 -0.0124 -0.0056 18 PRO A CB  
122 C CG  . PRO A 18 ? 0.1769 0.2811 0.2094 -0.0101 -0.0191 -0.0037 18 PRO A CG  
123 C CD  . PRO A 18 ? 0.1268 0.2173 0.1434 -0.0161 -0.0203 -0.0082 18 PRO A CD  
124 N N   . GLY A 19 ? 0.0922 0.0837 0.1494 -0.0081 -0.0283 -0.0051 19 GLY A N   
125 C CA  . GLY A 19 ? 0.0678 0.0623 0.1284 -0.0055 -0.0245 -0.0061 19 GLY A CA  
126 C C   . GLY A 19 ? 0.0486 0.0436 0.1054 -0.0034 -0.0250 -0.0089 19 GLY A C   
127 O O   . GLY A 19 ? 0.0807 0.0760 0.1335 -0.0029 -0.0282 -0.0101 19 GLY A O   
128 N N   . PRO A 20 ? 0.0787 0.0743 0.1379 -0.0025 -0.0219 -0.0098 20 PRO A N   
129 C CA  . PRO A 20 ? 0.0553 0.0521 0.1123 -0.0024 -0.0214 -0.0120 20 PRO A CA  
130 C C   . PRO A 20 ? 0.0360 0.0321 0.0913 -0.0002 -0.0230 -0.0103 20 PRO A C   
131 O O   . PRO A 20 ? 0.0350 0.0280 0.0901 0.0014  -0.0243 -0.0074 20 PRO A O   
132 C CB  . PRO A 20 ? 0.1134 0.1089 0.1738 -0.0030 -0.0180 -0.0127 20 PRO A CB  
133 C CG  . PRO A 20 ? 0.1113 0.1062 0.1773 -0.0010 -0.0181 -0.0098 20 PRO A CG  
134 C CD  . PRO A 20 ? 0.0865 0.0819 0.1524 -0.0019 -0.0193 -0.0090 20 PRO A CD  
135 N N   . HYP A 21 ? 0.0638 0.0630 0.1185 -0.0008 -0.0229 -0.0127 21 HYP A N   
136 C CA  . HYP A 21 ? 0.0493 0.0481 0.1039 0.0009  -0.0237 -0.0125 21 HYP A CA  
137 C C   . HYP A 21 ? 0.0396 0.0345 0.0955 0.0022  -0.0229 -0.0100 21 HYP A C   
138 O O   . HYP A 21 ? 0.1316 0.1266 0.1900 0.0016  -0.0214 -0.0090 21 HYP A O   
139 C CB  . HYP A 21 ? 0.0890 0.0948 0.1459 -0.0013 -0.0225 -0.0161 21 HYP A CB  
140 C CG  . HYP A 21 ? 0.1387 0.1485 0.1947 -0.0038 -0.0232 -0.0184 21 HYP A CG  
141 C CD  . HYP A 21 ? 0.1141 0.1182 0.1690 -0.0041 -0.0219 -0.0166 21 HYP A CD  
142 O OD1 . HYP A 21 ? 0.1690 0.1820 0.2234 -0.0018 -0.0272 -0.0190 21 HYP A OD1 
143 N N   . GLY A 22 ? 0.0563 0.0481 0.1105 0.0037  -0.0248 -0.0095 22 GLY A N   
144 C CA  . GLY A 22 ? 0.0613 0.0522 0.1136 0.0033  -0.0244 -0.0077 22 GLY A CA  
145 C C   . GLY A 22 ? 0.0467 0.0393 0.1048 0.0033  -0.0239 -0.0091 22 GLY A C   
146 O O   . GLY A 22 ? 0.0498 0.0468 0.1106 0.0014  -0.0218 -0.0117 22 GLY A O   
147 N N   . PRO A 23 ? 0.0441 0.0354 0.1019 0.0031  -0.0251 -0.0075 23 PRO A N   
148 C CA  . PRO A 23 ? 0.0377 0.0295 0.1007 0.0016  -0.0249 -0.0084 23 PRO A CA  
149 C C   . PRO A 23 ? 0.0392 0.0340 0.1039 0.0008  -0.0244 -0.0124 23 PRO A C   
150 O O   . PRO A 23 ? 0.0500 0.0452 0.1125 0.0037  -0.0267 -0.0141 23 PRO A O   
151 C CB  . PRO A 23 ? 0.0823 0.0700 0.1432 0.0021  -0.0291 -0.0059 23 PRO A CB  
152 C CG  . PRO A 23 ? 0.0804 0.0692 0.1364 0.0015  -0.0292 -0.0045 23 PRO A CG  
153 C CD  . PRO A 23 ? 0.0935 0.0819 0.1459 0.0028  -0.0266 -0.0053 23 PRO A CD  
154 N N   . HYP A 24 ? 0.0588 0.0543 0.1272 -0.0037 -0.0202 -0.0143 24 HYP A N   
155 C CA  . HYP A 24 ? 0.0454 0.0490 0.1153 -0.0036 -0.0170 -0.0178 24 HYP A CA  
156 C C   . HYP A 24 ? 0.0539 0.0538 0.1151 0.0019  -0.0196 -0.0174 24 HYP A C   
157 O O   . HYP A 24 ? 0.0555 0.0459 0.1083 0.0036  -0.0225 -0.0139 24 HYP A O   
158 C CB  . HYP A 24 ? 0.0577 0.0603 0.1266 -0.0096 -0.0081 -0.0173 24 HYP A CB  
159 C CG  . HYP A 24 ? 0.1018 0.0973 0.1725 -0.0138 -0.0074 -0.0157 24 HYP A CG  
160 C CD  . HYP A 24 ? 0.1486 0.1369 0.2150 -0.0080 -0.0142 -0.0121 24 HYP A CD  
161 O OD1 . HYP A 24 ? 0.1232 0.1275 0.1975 -0.0153 -0.0075 -0.0186 24 HYP A OD1 
162 N N   . GLY A 25 ? 0.0516 0.0594 0.1147 0.0052  -0.0190 -0.0215 25 GLY A N   
163 C CA  . GLY A 25 ? 0.0594 0.0619 0.1129 0.0107  -0.0214 -0.0226 25 GLY A CA  
164 C C   . GLY A 25 ? 0.1222 0.1204 0.1645 0.0104  -0.0156 -0.0212 25 GLY A C   
165 O O   . GLY A 25 ? 0.0938 0.0922 0.1358 0.0056  -0.0089 -0.0187 25 GLY A O   
166 N N   . PRO A 26 ? 0.1676 0.1601 0.1987 0.0153  -0.0177 -0.0230 26 PRO A N   
167 C CA  . PRO A 26 ? 0.1094 0.0972 0.1263 0.0158  -0.0121 -0.0220 26 PRO A CA  
168 C C   . PRO A 26 ? 0.1505 0.1497 0.1713 0.0152  -0.0015 -0.0248 26 PRO A C   
169 O O   . PRO A 26 ? 0.1505 0.1621 0.1837 0.0174  -0.0006 -0.0295 26 PRO A O   
170 C CB  . PRO A 26 ? 0.1885 0.1676 0.1928 0.0213  -0.0185 -0.0250 26 PRO A CB  
171 C CG  . PRO A 26 ? 0.1522 0.1293 0.1645 0.0221  -0.0274 -0.0264 26 PRO A CG  
172 C CD  . PRO A 26 ? 0.1196 0.1074 0.1485 0.0202  -0.0252 -0.0263 26 PRO A CD  
173 N N   . HYP A 27 ? 0.2932 0.2888 0.3032 0.0124  0.0066  -0.0218 27 HYP A N   
174 C CA  . HYP A 27 ? 0.2343 0.2419 0.2475 0.0107  0.0185  -0.0246 27 HYP A CA  
175 C C   . HYP A 27 ? 0.2682 0.2824 0.2791 0.0192  0.0192  -0.0315 27 HYP A C   
176 O O   . HYP A 27 ? 0.3213 0.3235 0.3179 0.0251  0.0130  -0.0329 27 HYP A O   
177 C CB  . HYP A 27 ? 0.2751 0.2726 0.2716 0.0064  0.0273  -0.0189 27 HYP A CB  
178 C CG  . HYP A 27 ? 0.1945 0.1760 0.1834 0.0049  0.0200  -0.0121 27 HYP A CG  
179 C CD  . HYP A 27 ? 0.2619 0.2428 0.2547 0.0109  0.0069  -0.0153 27 HYP A CD  
180 O OD1 . HYP A 27 ? 0.2993 0.2806 0.2985 -0.0020 0.0226  -0.0090 27 HYP A OD1 
181 N N   . GLY A 28 ? 0.3358 0.3690 0.3612 0.0198  0.0264  -0.0363 28 GLY A N   
182 C CA  . GLY A 28 ? 0.2523 0.2928 0.2771 0.0294  0.0283  -0.0431 28 GLY A CA  
183 C C   . GLY A 28 ? 0.3400 0.3746 0.3451 0.0317  0.0372  -0.0438 28 GLY A C   
184 O O   . GLY A 28 ? 0.3666 0.3952 0.3608 0.0248  0.0441  -0.0384 28 GLY A O   
185 C C   . ACE B 1  ? 0.1957 0.4072 0.1437 0.0276  0.0008  0.0454  1  ACE B C   
186 O O   . ACE B 1  ? 0.1973 0.3106 0.2010 -0.0097 -0.0001 0.1430  1  ACE B O   
187 C CH3 . ACE B 1  ? 0.2046 0.3249 0.1948 -0.0032 0.0021  0.1416  1  ACE B CH3 
188 N N   . PRO B 2  ? 0.2031 0.3653 0.1691 -0.0060 0.0002  -0.0434 2  PRO B N   
189 C CA  . PRO B 2  ? 0.2189 0.3760 0.1884 -0.0038 -0.0006 -0.0325 2  PRO B CA  
190 C C   . PRO B 2  ? 0.2110 0.3655 0.1757 -0.0012 0.0067  -0.0223 2  PRO B C   
191 O O   . PRO B 2  ? 0.2106 0.3625 0.1662 0.0000  0.0126  -0.0248 2  PRO B O   
192 C CB  . PRO B 2  ? 0.2295 0.3797 0.1954 0.0023  -0.0050 -0.0363 2  PRO B CB  
193 C CG  . PRO B 2  ? 0.2791 0.4382 0.2433 0.0036  -0.0084 -0.0502 2  PRO B CG  
194 C CD  . PRO B 2  ? 0.2520 0.4171 0.2138 -0.0027 -0.0024 -0.0540 2  PRO B CD  
195 N N   . HYP B 3  ? 0.2474 0.4029 0.2172 -0.0017 0.0078  -0.0121 3  HYP B N   
196 C CA  . HYP B 3  ? 0.2129 0.3665 0.1784 0.0020  0.0150  -0.0018 3  HYP B CA  
197 C C   . HYP B 3  ? 0.2191 0.3610 0.1754 0.0061  0.0170  -0.0023 3  HYP B C   
198 O O   . HYP B 3  ? 0.2471 0.3840 0.2021 0.0081  0.0117  -0.0070 3  HYP B O   
199 C CB  . HYP B 3  ? 0.2283 0.3897 0.2029 -0.0009 0.0152  0.0066  3  HYP B CB  
200 C CG  . HYP B 3  ? 0.2440 0.4156 0.2279 -0.0083 0.0094  0.0005  3  HYP B CG  
201 C CD  . HYP B 3  ? 0.2452 0.4047 0.2242 -0.0074 0.0046  -0.0100 3  HYP B CD  
202 O OD1 . HYP B 3  ? 0.3054 0.4965 0.2939 -0.0085 0.0096  0.0016  3  HYP B OD1 
203 N N   . GLY B 4  ? 0.2224 0.3603 0.1705 0.0087  0.0254  0.0024  4  GLY B N   
204 C CA  . GLY B 4  ? 0.2288 0.3595 0.1678 0.0113  0.0277  0.0011  4  GLY B CA  
205 C C   . GLY B 4  ? 0.2341 0.3586 0.1751 0.0143  0.0258  0.0096  4  GLY B C   
206 O O   . GLY B 4  ? 0.2334 0.3595 0.1825 0.0121  0.0256  0.0166  4  GLY B O   
207 N N   . PRO B 5  ? 0.2418 0.3606 0.1739 0.0188  0.0257  0.0086  5  PRO B N   
208 C CA  . PRO B 5  ? 0.2739 0.3820 0.2041 0.0216  0.0270  0.0184  5  PRO B CA  
209 C C   . PRO B 5  ? 0.2516 0.3573 0.1825 0.0200  0.0356  0.0291  5  PRO B C   
210 O O   . PRO B 5  ? 0.2545 0.3635 0.1830 0.0195  0.0423  0.0302  5  PRO B O   
211 C CB  . PRO B 5  ? 0.2605 0.3664 0.1786 0.0294  0.0242  0.0135  5  PRO B CB  
212 C CG  . PRO B 5  ? 0.3143 0.4360 0.2331 0.0252  0.0240  0.0006  5  PRO B CG  
213 C CD  . PRO B 5  ? 0.3545 0.4742 0.2750 0.0198  0.0312  0.0044  5  PRO B CD  
214 N N   . HYP B 6  ? 0.2593 0.3577 0.1921 0.0192  0.0371  0.0369  6  HYP B N   
215 C CA  . HYP B 6  ? 0.2729 0.3711 0.2065 0.0185  0.0453  0.0470  6  HYP B CA  
216 C C   . HYP B 6  ? 0.2809 0.3701 0.2011 0.0235  0.0504  0.0486  6  HYP B C   
217 O O   . HYP B 6  ? 0.2956 0.3793 0.2061 0.0274  0.0465  0.0431  6  HYP B O   
218 C CB  . HYP B 6  ? 0.2774 0.3689 0.2142 0.0138  0.0468  0.0520  6  HYP B CB  
219 C CG  . HYP B 6  ? 0.3423 0.4319 0.2827 0.0094  0.0407  0.0448  6  HYP B CG  
220 C CD  . HYP B 6  ? 0.3029 0.3910 0.2363 0.0170  0.0341  0.0370  6  HYP B CD  
221 O OD1 . HYP B 6  ? 0.3453 0.4541 0.3001 0.0015  0.0397  0.0427  6  HYP B OD1 
222 N N   . GLY B 7  ? 0.2742 0.3642 0.1930 0.0241  0.0594  0.0555  7  GLY B N   
223 C CA  . GLY B 7  ? 0.2886 0.3685 0.1942 0.0266  0.0661  0.0573  7  GLY B CA  
224 C C   . GLY B 7  ? 0.2998 0.3690 0.2008 0.0283  0.0648  0.0622  7  GLY B C   
225 O O   . GLY B 7  ? 0.3348 0.4015 0.2423 0.0260  0.0626  0.0658  7  GLY B O   
226 N N   . LEU B 8  ? 0.2970 0.3588 0.1844 0.0314  0.0674  0.0613  8  LEU B N   
227 C CA  . LEU B 8  ? 0.3731 0.4216 0.2519 0.0349  0.0677  0.0672  8  LEU B CA  
228 C C   . LEU B 8  ? 0.3585 0.4011 0.2414 0.0317  0.0768  0.0781  8  LEU B C   
229 O O   . LEU B 8  ? 0.3080 0.3578 0.1963 0.0300  0.0838  0.0814  8  LEU B O   
230 C CB  . LEU B 8  ? 0.3792 0.4268 0.2416 0.0401  0.0676  0.0628  8  LEU B CB  
231 C CG  . LEU B 8  ? 0.4173 0.4693 0.2714 0.0487  0.0573  0.0555  8  LEU B CG  
232 C CD1 . LEU B 8  ? 0.4171 0.4793 0.2820 0.0474  0.0499  0.0478  8  LEU B CD1 
233 C CD2 . LEU B 8  ? 0.4423 0.5083 0.2835 0.0522  0.0566  0.0469  8  LEU B CD2 
234 N N   . PRO B 9  ? 0.2659 0.3196 0.2626 -0.0095 0.1274  -0.0060 9  PRO B N   
235 C CA  . PRO B 9  ? 0.2297 0.2721 0.2123 -0.0092 0.1179  -0.0110 9  PRO B CA  
236 C C   . PRO B 9  ? 0.2731 0.3183 0.2595 -0.0160 0.1144  -0.0112 9  PRO B C   
237 O O   . PRO B 9  ? 0.2669 0.3301 0.2738 -0.0212 0.1174  -0.0097 9  PRO B O   
238 C CB  . PRO B 9  ? 0.2850 0.3301 0.2736 -0.0025 0.1160  -0.0125 9  PRO B CB  
239 C CG  . PRO B 9  ? 0.2953 0.3446 0.2929 0.0026  0.1253  -0.0095 9  PRO B CG  
240 C CD  . PRO B 9  ? 0.3344 0.3931 0.3385 -0.0014 0.1316  -0.0056 9  PRO B CD  
241 N N   . GLY B 10 ? 0.2602 0.2911 0.2279 -0.0165 0.1083  -0.0149 10 GLY B N   
242 C CA  . GLY B 10 ? 0.2393 0.2664 0.2051 -0.0234 0.1066  -0.0171 10 GLY B CA  
243 C C   . GLY B 10 ? 0.2000 0.2440 0.1801 -0.0244 0.1012  -0.0209 10 GLY B C   
244 O O   . GLY B 10 ? 0.1764 0.2303 0.1640 -0.0163 0.0990  -0.0192 10 GLY B O   
245 N N   . GLU B 11 ? 0.1996 0.2444 0.1825 -0.0325 0.0960  -0.0249 11 GLU B N   
246 C CA  . GLU B 11 ? 0.1864 0.2492 0.1792 -0.0312 0.0841  -0.0287 11 GLU B CA  
247 C C   . GLU B 11 ? 0.1698 0.2218 0.1455 -0.0219 0.0783  -0.0299 11 GLU B C   
248 O O   . GLU B 11 ? 0.2103 0.2440 0.1682 -0.0199 0.0797  -0.0313 11 GLU B O   
249 C CB  . GLU B 11 ? 0.2412 0.3051 0.2400 -0.0442 0.0789  -0.0362 11 GLU B CB  
250 C CG  . GLU B 11 ? 0.3066 0.3704 0.2971 -0.0429 0.0664  -0.0431 11 GLU B CG  
251 C CD  . GLU B 11 ? 0.3899 0.4523 0.3867 -0.0590 0.0644  -0.0546 11 GLU B CD  
252 O OE1 . GLU B 11 ? 0.3922 0.4827 0.3999 -0.0623 0.0537  -0.0637 11 GLU B OE1 
253 O OE2 . GLU B 11 ? 0.4348 0.4675 0.4244 -0.0682 0.0753  -0.0552 11 GLU B OE2 
254 N N   . ARG B 12 ? 0.1733 0.2403 0.1546 -0.0148 0.0733  -0.0290 12 ARG B N   
255 C CA  . ARG B 12 ? 0.1747 0.2312 0.1424 -0.0080 0.0715  -0.0303 12 ARG B CA  
256 C C   . ARG B 12 ? 0.1859 0.2314 0.1409 -0.0118 0.0627  -0.0367 12 ARG B C   
257 O O   . ARG B 12 ? 0.1702 0.2172 0.1275 -0.0187 0.0572  -0.0404 12 ARG B O   
258 C CB  . ARG B 12 ? 0.2355 0.3064 0.2080 0.0027  0.0711  -0.0250 12 ARG B CB  
259 C CG  . ARG B 12 ? 0.1608 0.2199 0.1201 0.0082  0.0723  -0.0260 12 ARG B CG  
260 C CD  . ARG B 12 ? 0.2695 0.3418 0.2277 0.0213  0.0718  -0.0181 12 ARG B CD  
261 N NE  . ARG B 12 ? 0.3852 0.4707 0.3379 0.0197  0.0569  -0.0236 12 ARG B NE  
262 C CZ  . ARG B 12 ? 0.3674 0.4812 0.3229 0.0268  0.0480  -0.0216 12 ARG B CZ  
263 N NH1 . ARG B 12 ? 0.2899 0.4248 0.2546 0.0399  0.0519  -0.0110 12 ARG B NH1 
264 N NH2 . ARG B 12 ? 0.3570 0.4809 0.3054 0.0222  0.0351  -0.0314 12 ARG B NH2 
265 N N   . GLY B 13 ? 0.1627 0.1977 0.1056 -0.0079 0.0632  -0.0395 13 GLY B N   
266 C CA  . GLY B 13 ? 0.1689 0.1941 0.0992 -0.0072 0.0568  -0.0441 13 GLY B CA  
267 C C   . GLY B 13 ? 0.1714 0.2012 0.1006 -0.0064 0.0495  -0.0470 13 GLY B C   
268 O O   . GLY B 13 ? 0.1678 0.2124 0.1033 -0.0034 0.0483  -0.0444 13 GLY B O   
269 N N   . LEU B 14 ? 0.2486 0.1523 0.1603 -0.0098 0.0845  0.0167  14 LEU B N   
270 C CA  . LEU B 14 ? 0.2237 0.1506 0.1570 -0.0091 0.0703  0.0170  14 LEU B CA  
271 C C   . LEU B 14 ? 0.1886 0.1184 0.1216 -0.0016 0.0609  0.0160  14 LEU B C   
272 O O   . LEU B 14 ? 0.2160 0.1269 0.1264 -0.0017 0.0612  0.0126  14 LEU B O   
273 C CB  . LEU B 14 ? 0.2405 0.1555 0.1618 -0.0164 0.0626  0.0156  14 LEU B CB  
274 C CG  . LEU B 14 ? 0.2566 0.1583 0.1718 -0.0259 0.0749  0.0162  14 LEU B CG  
275 C CD1 . LEU B 14 ? 0.3539 0.2279 0.2456 -0.0260 0.0727  0.0191  14 LEU B CD1 
276 C CD2 . LEU B 14 ? 0.2580 0.1887 0.2025 -0.0369 0.0799  0.0123  14 LEU B CD2 
277 N N   . ARG B 15 ? 0.1692 0.1258 0.1257 0.0024  0.0535  0.0183  15 ARG B N   
278 C CA  . ARG B 15 ? 0.1592 0.1162 0.1138 0.0086  0.0450  0.0177  15 ARG B CA  
279 C C   . ARG B 15 ? 0.1588 0.0997 0.0936 0.0032  0.0329  0.0119  15 ARG B C   
280 O O   . ARG B 15 ? 0.1880 0.1239 0.1174 -0.0022 0.0286  0.0111  15 ARG B O   
281 C CB  . ARG B 15 ? 0.1585 0.1504 0.1377 0.0122  0.0368  0.0221  15 ARG B CB  
282 C CG  . ARG B 15 ? 0.2133 0.2043 0.1916 0.0230  0.0355  0.0256  15 ARG B CG  
283 C CD  . ARG B 15 ? 0.1945 0.2204 0.1895 0.0243  0.0233  0.0295  15 ARG B CD  
284 N NE  . ARG B 15 ? 0.2107 0.2318 0.2021 0.0363  0.0248  0.0350  15 ARG B NE  
285 C CZ  . ARG B 15 ? 0.2337 0.2866 0.2373 0.0433  0.0184  0.0437  15 ARG B CZ  
286 N NH1 . ARG B 15 ? 0.2335 0.3315 0.2538 0.0357  0.0077  0.0453  15 ARG B NH1 
287 N NH2 . ARG B 15 ? 0.1833 0.2234 0.1795 0.0558  0.0241  0.0503  15 ARG B NH2 
288 N N   . GLY B 16 ? 0.1589 0.0922 0.0833 0.0053  0.0303  0.0088  16 GLY B N   
289 C CA  . GLY B 16 ? 0.1576 0.0875 0.0685 0.0020  0.0187  0.0051  16 GLY B CA  
290 C C   . GLY B 16 ? 0.1908 0.1315 0.1142 0.0035  0.0077  0.0056  16 GLY B C   
291 O O   . GLY B 16 ? 0.1327 0.0865 0.0725 0.0037  0.0070  0.0066  16 GLY B O   
292 N N   . GLU B 17 ? 0.1622 0.1009 0.0766 0.0044  0.0002  0.0054  17 GLU B N   
293 C CA  . GLU B 17 ? 0.1571 0.0985 0.0793 0.0062  -0.0056 0.0049  17 GLU B CA  
294 C C   . GLU B 17 ? 0.1231 0.0750 0.0537 0.0065  -0.0102 0.0007  17 GLU B C   
295 O O   . GLU B 17 ? 0.1309 0.0838 0.0573 0.0065  -0.0087 -0.0013 17 GLU B O   
296 C CB  . GLU B 17 ? 0.1773 0.1154 0.0895 0.0126  -0.0088 0.0098  17 GLU B CB  
297 C CG  . GLU B 17 ? 0.3042 0.2340 0.2015 0.0156  -0.0043 0.0179  17 GLU B CG  
298 C CD  . GLU B 17 ? 0.4616 0.3744 0.3537 0.0246  0.0023  0.0272  17 GLU B CD  
299 O OE1 . GLU B 17 ? 0.4703 0.3822 0.3481 0.0340  0.0040  0.0393  17 GLU B OE1 
300 O OE2 . GLU B 17 ? 0.4613 0.3608 0.3610 0.0222  0.0081  0.0229  17 GLU B OE2 
301 N N   . PRO B 18 ? 0.1177 0.0740 0.0563 0.0048  -0.0130 -0.0015 18 PRO B N   
302 C CA  . PRO B 18 ? 0.1083 0.0733 0.0509 0.0059  -0.0171 -0.0041 18 PRO B CA  
303 C C   . PRO B 18 ? 0.1080 0.0711 0.0444 0.0085  -0.0198 -0.0062 18 PRO B C   
304 O O   . PRO B 18 ? 0.1238 0.0860 0.0559 0.0114  -0.0213 -0.0041 18 PRO B O   
305 C CB  . PRO B 18 ? 0.1171 0.0850 0.0632 0.0000  -0.0185 -0.0081 18 PRO B CB  
306 C CG  . PRO B 18 ? 0.1193 0.0858 0.0669 -0.0076 -0.0134 -0.0084 18 PRO B CG  
307 C CD  . PRO B 18 ? 0.1447 0.0961 0.0854 -0.0018 -0.0094 -0.0035 18 PRO B CD  
308 N N   . GLY B 19 ? 0.0493 0.0536 0.0742 0.0162  -0.0232 0.0128  19 GLY B N   
309 C CA  . GLY B 19 ? 0.0886 0.0812 0.1035 0.0135  -0.0242 0.0080  19 GLY B CA  
310 C C   . GLY B 19 ? 0.0486 0.0317 0.0611 0.0060  -0.0276 0.0053  19 GLY B C   
311 O O   . GLY B 19 ? 0.0903 0.0720 0.1073 0.0024  -0.0297 0.0064  19 GLY B O   
312 N N   . PRO B 20 ? 0.0583 0.0350 0.0645 0.0047  -0.0290 0.0018  20 PRO B N   
313 C CA  . PRO B 20 ? 0.1101 0.0821 0.1158 0.0017  -0.0314 0.0000  20 PRO B CA  
314 C C   . PRO B 20 ? 0.0475 0.0208 0.0552 0.0016  -0.0303 -0.0021 20 PRO B C   
315 O O   . PRO B 20 ? 0.0457 0.0206 0.0556 0.0021  -0.0298 -0.0028 20 PRO B O   
316 C CB  . PRO B 20 ? 0.1186 0.0878 0.1207 0.0023  -0.0327 -0.0006 20 PRO B CB  
317 C CG  . PRO B 20 ? 0.1819 0.1508 0.1820 0.0038  -0.0323 -0.0019 20 PRO B CG  
318 C CD  . PRO B 20 ? 0.0834 0.0572 0.0832 0.0071  -0.0296 0.0004  20 PRO B CD  
319 N N   . HYP B 21 ? 0.0608 0.0321 0.0665 0.0023  -0.0315 -0.0029 21 HYP B N   
320 C CA  . HYP B 21 ? 0.0588 0.0297 0.0631 0.0039  -0.0317 -0.0045 21 HYP B CA  
321 C C   . HYP B 21 ? 0.0484 0.0220 0.0548 0.0040  -0.0303 -0.0034 21 HYP B C   
322 O O   . HYP B 21 ? 0.0940 0.0689 0.1024 0.0033  -0.0299 -0.0020 21 HYP B O   
323 C CB  . HYP B 21 ? 0.0592 0.0266 0.0584 0.0080  -0.0341 -0.0060 21 HYP B CB  
324 C CG  . HYP B 21 ? 0.0647 0.0268 0.0632 0.0062  -0.0381 -0.0061 21 HYP B CG  
325 C CD  . HYP B 21 ? 0.0584 0.0243 0.0612 0.0031  -0.0357 -0.0033 21 HYP B CD  
326 O OD1 . HYP B 21 ? 0.0996 0.0601 0.0985 0.0044  -0.0394 -0.0052 21 HYP B OD1 
327 N N   . GLY B 22 ? 0.0498 0.0238 0.0561 0.0047  -0.0305 -0.0026 22 GLY B N   
328 C CA  . GLY B 22 ? 0.0703 0.0475 0.0791 0.0048  -0.0298 0.0010  22 GLY B CA  
329 C C   . GLY B 22 ? 0.0618 0.0461 0.0715 0.0083  -0.0269 0.0057  22 GLY B C   
330 O O   . GLY B 22 ? 0.0625 0.0491 0.0695 0.0125  -0.0255 0.0055  22 GLY B O   
331 N N   . PRO B 23 ? 0.1050 0.0934 0.1194 0.0073  -0.0271 0.0109  23 PRO B N   
332 C CA  . PRO B 23 ? 0.0626 0.0616 0.0801 0.0116  -0.0249 0.0173  23 PRO B CA  
333 C C   . PRO B 23 ? 0.1077 0.1125 0.1163 0.0212  -0.0224 0.0198  23 PRO B C   
334 O O   . PRO B 23 ? 0.1006 0.1023 0.1042 0.0211  -0.0223 0.0202  23 PRO B O   
335 C CB  . PRO B 23 ? 0.0563 0.0547 0.0827 0.0041  -0.0286 0.0224  23 PRO B CB  
336 C CG  . PRO B 23 ? 0.1109 0.0996 0.1341 0.0010  -0.0319 0.0194  23 PRO B CG  
337 C CD  . PRO B 23 ? 0.0538 0.0366 0.0714 0.0023  -0.0312 0.0112  23 PRO B CD  
338 N N   . HYP B 24 ? 0.1055 0.1147 0.1169 0.0260  -0.0247 0.0207  24 HYP B N   
339 C CA  . HYP B 24 ? 0.0728 0.0873 0.0835 0.0293  -0.0234 0.0258  24 HYP B CA  
340 C C   . HYP B 24 ? 0.1091 0.1224 0.1104 0.0265  -0.0239 0.0327  24 HYP B C   
341 O O   . HYP B 24 ? 0.1400 0.1560 0.1473 0.0202  -0.0239 0.0379  24 HYP B O   
342 C CB  . HYP B 24 ? 0.0740 0.1100 0.0965 0.0364  -0.0168 0.0308  24 HYP B CB  
343 C CG  . HYP B 24 ? 0.1072 0.1386 0.1384 0.0355  -0.0209 0.0251  24 HYP B CG  
344 C CD  . HYP B 24 ? 0.1301 0.1497 0.1540 0.0273  -0.0241 0.0225  24 HYP B CD  
345 O OD1 . HYP B 24 ? 0.2004 0.2232 0.2291 0.0394  -0.0214 0.0202  24 HYP B OD1 
346 N N   . GLY B 25 ? 0.0942 0.1038 0.0811 0.0292  -0.0242 0.0348  25 GLY B N   
347 C CA  . GLY B 25 ? 0.1425 0.1460 0.1125 0.0255  -0.0262 0.0429  25 GLY B CA  
348 C C   . GLY B 25 ? 0.1779 0.2100 0.1533 0.0256  -0.0152 0.0602  25 GLY B C   
349 O O   . GLY B 25 ? 0.1354 0.1976 0.1326 0.0314  -0.0069 0.0666  25 GLY B O   
350 N N   . PRO B 26 ? 0.2315 0.2591 0.1902 0.0180  -0.0146 0.0712  26 PRO B N   
351 C CA  . PRO B 26 ? 0.2384 0.2974 0.2030 0.0110  -0.0023 0.0918  26 PRO B CA  
352 C C   . PRO B 26 ? 0.2859 0.3799 0.2436 0.0233  0.0179  0.0964  26 PRO B C   
353 O O   . PRO B 26 ? 0.2326 0.3142 0.1600 0.0341  0.0214  0.0855  26 PRO B O   
354 C CB  . PRO B 26 ? 0.2531 0.2857 0.1885 0.0012  -0.0062 0.0965  26 PRO B CB  
355 C CG  . PRO B 26 ? 0.2722 0.2683 0.2034 0.0057  -0.0212 0.0809  26 PRO B CG  
356 C CD  . PRO B 26 ? 0.2148 0.2059 0.1484 0.0156  -0.0247 0.0644  26 PRO B CD  
357 N N   . HYP B 27 ? 0.3123 0.4485 0.2988 0.0217  0.0319  0.1084  27 HYP B N   
358 C CA  . HYP B 27 ? 0.2991 0.4704 0.2861 0.0348  0.0567  0.1041  27 HYP B CA  
359 C C   . HYP B 27 ? 0.3651 0.5245 0.3086 0.0311  0.0685  0.1018  27 HYP B C   
360 O O   . HYP B 27 ? 0.3971 0.5394 0.3250 0.0122  0.0626  0.1129  27 HYP B O   
361 C CB  . HYP B 27 ? 0.2636 0.4768 0.2979 0.0265  0.0645  0.1136  27 HYP B CB  
362 C CG  . HYP B 27 ? 0.2420 0.4459 0.3033 0.0119  0.0429  0.1235  27 HYP B CG  
363 C CD  . HYP B 27 ? 0.2609 0.4153 0.2860 0.0056  0.0264  0.1219  27 HYP B CD  
364 O OD1 . HYP B 27 ? 0.3499 0.5590 0.4395 0.0228  0.0338  0.1151  27 HYP B OD1 
365 N N   . GLY B 28 ? 0.4462 0.6094 0.3698 0.0491  0.0831  0.0861  28 GLY B N   
366 C CA  . GLY B 28 ? 0.4776 0.6253 0.3542 0.0470  0.0935  0.0804  28 GLY B CA  
367 C C   . GLY B 28 ? 0.5388 0.6896 0.4013 0.0245  0.1007  0.0973  28 GLY B C   
368 O O   . GLY B 28 ? 0.6062 0.7233 0.4447 0.0100  0.0845  0.1057  28 GLY B O   
369 C C   . ACE C 1  ? 0.3631 0.4233 0.2743 0.0777  0.1609  0.1045  1  ACE C C   
370 O O   . ACE C 1  ? 0.3707 0.3939 0.2297 0.0596  0.0627  0.0699  1  ACE C O   
371 C CH3 . ACE C 1  ? 0.3754 0.3976 0.2307 0.0553  0.0629  0.0687  1  ACE C CH3 
372 N N   . PRO C 2  ? 0.4484 0.4877 0.2552 0.0420  0.0942  0.0877  2  PRO C N   
373 C CA  . PRO C 2  ? 0.3944 0.4315 0.2051 0.0389  0.0887  0.0887  2  PRO C CA  
374 C C   . PRO C 2  ? 0.4006 0.4411 0.2196 0.0415  0.0867  0.0868  2  PRO C C   
375 O O   . PRO C 2  ? 0.3679 0.4066 0.1843 0.0465  0.0892  0.0833  2  PRO C O   
376 C CB  . PRO C 2  ? 0.4429 0.4709 0.2414 0.0408  0.0847  0.0885  2  PRO C CB  
377 C CG  . PRO C 2  ? 0.4757 0.5054 0.2647 0.0445  0.0852  0.0842  2  PRO C CG  
378 C CD  . PRO C 2  ? 0.4716 0.5041 0.2636 0.0446  0.0930  0.0835  2  PRO C CD  
379 N N   . HYP C 3  ? 0.4047 0.4480 0.2315 0.0368  0.0841  0.0886  3  HYP C N   
380 C CA  . HYP C 3  ? 0.3510 0.3972 0.1855 0.0389  0.0818  0.0874  3  HYP C CA  
381 C C   . HYP C 3  ? 0.3796 0.4161 0.2053 0.0439  0.0789  0.0826  3  HYP C C   
382 O O   . HYP C 3  ? 0.3779 0.4090 0.1938 0.0443  0.0759  0.0820  3  HYP C O   
383 C CB  . HYP C 3  ? 0.3989 0.4476 0.2387 0.0304  0.0795  0.0891  3  HYP C CB  
384 C CG  . HYP C 3  ? 0.3884 0.4423 0.2272 0.0216  0.0832  0.0915  3  HYP C CG  
385 C CD  . HYP C 3  ? 0.4142 0.4585 0.2424 0.0270  0.0851  0.0911  3  HYP C CD  
386 O OD1 . HYP C 3  ? 0.4063 0.4813 0.2567 0.0187  0.0850  0.0946  3  HYP C OD1 
387 N N   . GLY C 4  ? 0.3271 0.3637 0.1563 0.0473  0.0805  0.0801  4  GLY C N   
388 C CA  . GLY C 4  ? 0.3305 0.3597 0.1538 0.0478  0.0773  0.0723  4  GLY C CA  
389 C C   . GLY C 4  ? 0.3667 0.3950 0.1919 0.0456  0.0692  0.0719  4  GLY C C   
390 O O   . GLY C 4  ? 0.3191 0.3472 0.1483 0.0436  0.0679  0.0772  4  GLY C O   
391 N N   . PRO C 5  ? 0.3341 0.3620 0.1554 0.0449  0.0653  0.0654  5  PRO C N   
392 C CA  . PRO C 5  ? 0.3555 0.3854 0.1801 0.0446  0.0585  0.0659  5  PRO C CA  
393 C C   . PRO C 5  ? 0.3331 0.3582 0.1698 0.0432  0.0581  0.0671  5  PRO C C   
394 O O   . PRO C 5  ? 0.3047 0.3282 0.1477 0.0425  0.0611  0.0645  5  PRO C O   
395 C CB  . PRO C 5  ? 0.3617 0.3970 0.1815 0.0415  0.0560  0.0568  5  PRO C CB  
396 C CG  . PRO C 5  ? 0.3979 0.4327 0.2059 0.0394  0.0616  0.0521  5  PRO C CG  
397 C CD  . PRO C 5  ? 0.3661 0.3922 0.1789 0.0428  0.0691  0.0564  5  PRO C CD  
398 N N   . HYP C 6  ? 0.3238 0.3460 0.1625 0.0433  0.0563  0.0720  6  HYP C N   
399 C CA  . HYP C 6  ? 0.3469 0.3641 0.1944 0.0398  0.0563  0.0719  6  HYP C CA  
400 C C   . HYP C 6  ? 0.2918 0.3101 0.1461 0.0394  0.0532  0.0651  6  HYP C C   
401 O O   . HYP C 6  ? 0.2949 0.3175 0.1466 0.0407  0.0500  0.0607  6  HYP C O   
402 C CB  . HYP C 6  ? 0.3618 0.3707 0.2068 0.0406  0.0579  0.0771  6  HYP C CB  
403 C CG  . HYP C 6  ? 0.4095 0.4177 0.2443 0.0446  0.0611  0.0833  6  HYP C CG  
404 C CD  . HYP C 6  ? 0.3743 0.3950 0.2062 0.0471  0.0566  0.0790  6  HYP C CD  
405 O OD1 . HYP C 6  ? 0.4948 0.4969 0.3254 0.0392  0.0674  0.0861  6  HYP C OD1 
406 N N   . GLY C 7  ? 0.2842 0.3012 0.1461 0.0365  0.0546  0.0646  7  GLY C N   
407 C CA  . GLY C 7  ? 0.2942 0.3095 0.1616 0.0364  0.0539  0.0590  7  GLY C CA  
408 C C   . GLY C 7  ? 0.2775 0.2905 0.1473 0.0354  0.0497  0.0557  7  GLY C C   
409 O O   . GLY C 7  ? 0.2787 0.2900 0.1479 0.0359  0.0486  0.0597  7  GLY C O   
410 N N   . LEU C 8  ? 0.2884 0.3004 0.1606 0.0343  0.0495  0.0488  8  LEU C N   
411 C CA  . LEU C 8  ? 0.2770 0.2905 0.1534 0.0329  0.0457  0.0456  8  LEU C CA  
412 C C   . LEU C 8  ? 0.2669 0.2736 0.1501 0.0314  0.0462  0.0486  8  LEU C C   
413 O O   . LEU C 8  ? 0.2709 0.2749 0.1560 0.0295  0.0489  0.0509  8  LEU C O   
414 C CB  . LEU C 8  ? 0.2778 0.2909 0.1536 0.0291  0.0472  0.0359  8  LEU C CB  
415 C CG  . LEU C 8  ? 0.3582 0.3781 0.2238 0.0261  0.0480  0.0297  8  LEU C CG  
416 C CD1 . LEU C 8  ? 0.2998 0.3167 0.1623 0.0182  0.0519  0.0177  8  LEU C CD1 
417 C CD2 . LEU C 8  ? 0.3190 0.3567 0.1824 0.0280  0.0411  0.0342  8  LEU C CD2 
418 N N   . PRO C 9  ? 0.2662 0.2725 0.1527 0.0320  0.0445  0.0495  9  PRO C N   
419 C CA  . PRO C 9  ? 0.2629 0.2600 0.1536 0.0286  0.0468  0.0505  9  PRO C CA  
420 C C   . PRO C 9  ? 0.2572 0.2527 0.1529 0.0254  0.0467  0.0450  9  PRO C C   
421 O O   . PRO C 9  ? 0.2580 0.2563 0.1543 0.0257  0.0462  0.0393  9  PRO C O   
422 C CB  . PRO C 9  ? 0.2859 0.2826 0.1789 0.0326  0.0472  0.0532  9  PRO C CB  
423 C CG  . PRO C 9  ? 0.3161 0.3294 0.2096 0.0369  0.0424  0.0520  9  PRO C CG  
424 C CD  . PRO C 9  ? 0.2705 0.2873 0.1567 0.0363  0.0415  0.0511  9  PRO C CD  
425 N N   . GLY C 10 ? 0.2613 0.2515 0.1589 0.0209  0.0487  0.0465  10 GLY C N   
426 C CA  . GLY C 10 ? 0.2564 0.2453 0.1583 0.0190  0.0497  0.0438  10 GLY C CA  
427 C C   . GLY C 10 ? 0.2758 0.2610 0.1820 0.0189  0.0489  0.0375  10 GLY C C   
428 O O   . GLY C 10 ? 0.2558 0.2423 0.1638 0.0201  0.0473  0.0369  10 GLY C O   
429 N N   . GLU C 11 ? 0.2623 0.2441 0.1705 0.0182  0.0513  0.0341  11 GLU C N   
430 C CA  . GLU C 11 ? 0.2906 0.2686 0.2028 0.0157  0.0519  0.0274  11 GLU C CA  
431 C C   . GLU C 11 ? 0.2467 0.2210 0.1624 0.0129  0.0514  0.0291  11 GLU C C   
432 O O   . GLU C 11 ? 0.2932 0.2654 0.2067 0.0101  0.0525  0.0338  11 GLU C O   
433 C CB  . GLU C 11 ? 0.2690 0.2389 0.1802 0.0156  0.0580  0.0245  11 GLU C CB  
434 C CG  . GLU C 11 ? 0.2757 0.2394 0.1898 0.0113  0.0604  0.0170  11 GLU C CG  
435 C CD  . GLU C 11 ? 0.3380 0.2884 0.2493 0.0124  0.0699  0.0163  11 GLU C CD  
436 O OE1 . GLU C 11 ? 0.3587 0.3081 0.2684 0.0184  0.0738  0.0251  11 GLU C OE1 
437 O OE2 . GLU C 11 ? 0.3541 0.2962 0.2647 0.0076  0.0748  0.0079  11 GLU C OE2 
438 N N   . ARG C 12 ? 0.2652 0.2407 0.1858 0.0124  0.0507  0.0250  12 ARG C N   
439 C CA  . ARG C 12 ? 0.2594 0.2281 0.1830 0.0101  0.0529  0.0260  12 ARG C CA  
440 C C   . ARG C 12 ? 0.2742 0.2351 0.1969 0.0053  0.0556  0.0246  12 ARG C C   
441 O O   . ARG C 12 ? 0.2941 0.2540 0.2173 0.0054  0.0569  0.0215  12 ARG C O   
442 C CB  . ARG C 12 ? 0.2855 0.2609 0.2166 0.0121  0.0525  0.0232  12 ARG C CB  
443 C CG  . ARG C 12 ? 0.2730 0.2388 0.2073 0.0109  0.0573  0.0243  12 ARG C CG  
444 C CD  . ARG C 12 ? 0.3733 0.3494 0.3156 0.0176  0.0585  0.0276  12 ARG C CD  
445 N NE  . ARG C 12 ? 0.4279 0.3889 0.3696 0.0195  0.0671  0.0322  12 ARG C NE  
446 C CZ  . ARG C 12 ? 0.3787 0.3447 0.3289 0.0264  0.0719  0.0363  12 ARG C CZ  
447 N NH1 . ARG C 12 ? 0.4126 0.4052 0.3737 0.0316  0.0668  0.0375  12 ARG C NH1 
448 N NH2 . ARG C 12 ? 0.3911 0.3367 0.3382 0.0275  0.0833  0.0397  12 ARG C NH2 
449 N N   . GLY C 13 ? 0.2474 0.2021 0.1672 0.0005  0.0581  0.0271  13 GLY C N   
450 C CA  . GLY C 13 ? 0.2478 0.2000 0.1656 -0.0048 0.0601  0.0276  13 GLY C CA  
451 C C   . GLY C 13 ? 0.2515 0.1980 0.1745 -0.0049 0.0621  0.0222  13 GLY C C   
452 O O   . GLY C 13 ? 0.2470 0.1933 0.1758 -0.0029 0.0619  0.0175  13 GLY C O   
453 N N   . LEU C 14 ? 0.2580 0.1580 0.1365 -0.0175 0.0863  -0.0452 14 LEU C N   
454 C CA  . LEU C 14 ? 0.2657 0.1666 0.1496 -0.0103 0.0815  -0.0430 14 LEU C CA  
455 C C   . LEU C 14 ? 0.2750 0.1753 0.1531 -0.0085 0.0723  -0.0392 14 LEU C C   
456 O O   . LEU C 14 ? 0.2883 0.1893 0.1637 -0.0100 0.0714  -0.0376 14 LEU C O   
457 C CB  . LEU C 14 ? 0.2829 0.1994 0.1876 0.0008  0.0864  -0.0426 14 LEU C CB  
458 C CG  . LEU C 14 ? 0.3979 0.3123 0.3069 0.0056  0.0959  -0.0444 14 LEU C CG  
459 C CD1 . LEU C 14 ? 0.3943 0.3332 0.3225 0.0218  0.0997  -0.0424 14 LEU C CD1 
460 C CD2 . LEU C 14 ? 0.3867 0.2778 0.2853 0.0030  0.0983  -0.0442 14 LEU C CD2 
461 N N   . ARG C 15 ? 0.2680 0.1664 0.1431 -0.0065 0.0671  -0.0388 15 ARG C N   
462 C CA  . ARG C 15 ? 0.2368 0.1404 0.1108 -0.0020 0.0574  -0.0345 15 ARG C CA  
463 C C   . ARG C 15 ? 0.2207 0.1364 0.1145 0.0044  0.0571  -0.0314 15 ARG C C   
464 O O   . ARG C 15 ? 0.2363 0.1596 0.1446 0.0089  0.0627  -0.0320 15 ARG C O   
465 C CB  . ARG C 15 ? 0.2494 0.1597 0.1237 -0.0037 0.0513  -0.0362 15 ARG C CB  
466 C CG  . ARG C 15 ? 0.3074 0.2315 0.1882 0.0027  0.0404  -0.0312 15 ARG C CG  
467 C CD  . ARG C 15 ? 0.3726 0.3113 0.2427 0.0013  0.0312  -0.0333 15 ARG C CD  
468 N NE  . ARG C 15 ? 0.3173 0.2671 0.1865 0.0132  0.0215  -0.0263 15 ARG C NE  
469 C CZ  . ARG C 15 ? 0.3571 0.3334 0.2303 0.0163  0.0126  -0.0276 15 ARG C CZ  
470 N NH1 . ARG C 15 ? 0.4103 0.4064 0.2891 0.0038  0.0123  -0.0376 15 ARG C NH1 
471 N NH2 . ARG C 15 ? 0.3903 0.3742 0.2608 0.0314  0.0056  -0.0201 15 ARG C NH2 
472 N N   . GLY C 16 ? 0.2240 0.1406 0.1150 0.0064  0.0518  -0.0278 16 GLY C N   
473 C CA  . GLY C 16 ? 0.1927 0.1232 0.0996 0.0099  0.0511  -0.0266 16 GLY C CA  
474 C C   . GLY C 16 ? 0.2012 0.1429 0.1230 0.0170  0.0467  -0.0235 16 GLY C C   
475 O O   . GLY C 16 ? 0.1807 0.1183 0.1001 0.0167  0.0443  -0.0232 16 GLY C O   
476 N N   . GLU C 17 ? 0.1665 0.1243 0.1023 0.0219  0.0470  -0.0224 17 GLU C N   
477 C CA  . GLU C 17 ? 0.1661 0.1304 0.1116 0.0299  0.0452  -0.0180 17 GLU C CA  
478 C C   . GLU C 17 ? 0.1919 0.1544 0.1355 0.0294  0.0376  -0.0156 17 GLU C C   
479 O O   . GLU C 17 ? 0.1560 0.1153 0.0923 0.0273  0.0339  -0.0160 17 GLU C O   
480 C CB  . GLU C 17 ? 0.1667 0.1539 0.1246 0.0379  0.0465  -0.0168 17 GLU C CB  
481 C CG  . GLU C 17 ? 0.2525 0.2467 0.2148 0.0473  0.0547  -0.0162 17 GLU C CG  
482 C CD  . GLU C 17 ? 0.3246 0.3563 0.2998 0.0553  0.0545  -0.0175 17 GLU C CD  
483 O OE1 . GLU C 17 ? 0.4086 0.4557 0.3890 0.0628  0.0609  -0.0192 17 GLU C OE1 
484 O OE2 . GLU C 17 ? 0.3426 0.3925 0.3226 0.0539  0.0483  -0.0180 17 GLU C OE2 
485 N N   . PRO C 18 ? 0.1696 0.1317 0.1171 0.0317  0.0376  -0.0134 18 PRO C N   
486 C CA  . PRO C 18 ? 0.1471 0.1152 0.0963 0.0318  0.0312  -0.0122 18 PRO C CA  
487 C C   . PRO C 18 ? 0.1387 0.1154 0.0920 0.0365  0.0281  -0.0099 18 PRO C C   
488 O O   . PRO C 18 ? 0.1352 0.1201 0.0935 0.0395  0.0305  -0.0093 18 PRO C O   
489 C CB  . PRO C 18 ? 0.2089 0.1739 0.1610 0.0303  0.0365  -0.0119 18 PRO C CB  
490 C CG  . PRO C 18 ? 0.2383 0.1875 0.1840 0.0276  0.0460  -0.0139 18 PRO C CG  
491 C CD  . PRO C 18 ? 0.1989 0.1512 0.1461 0.0340  0.0465  -0.0124 18 PRO C CD  
492 N N   . GLY C 19 ? 0.0911 0.0892 0.1186 0.0044  -0.0133 -0.0105 19 GLY C N   
493 C CA  . GLY C 19 ? 0.0506 0.0488 0.0785 0.0036  -0.0122 -0.0096 19 GLY C CA  
494 C C   . GLY C 19 ? 0.0439 0.0423 0.0724 0.0029  -0.0112 -0.0089 19 GLY C C   
495 O O   . GLY C 19 ? 0.0844 0.0827 0.1138 0.0029  -0.0114 -0.0090 19 GLY C O   
496 N N   . PRO C 20 ? 0.0576 0.0562 0.0861 0.0026  -0.0104 -0.0083 20 PRO C N   
497 C CA  . PRO C 20 ? 0.0575 0.0561 0.0867 0.0023  -0.0099 -0.0078 20 PRO C CA  
498 C C   . PRO C 20 ? 0.0574 0.0559 0.0877 0.0021  -0.0100 -0.0076 20 PRO C C   
499 O O   . PRO C 20 ? 0.0695 0.0678 0.0998 0.0022  -0.0105 -0.0078 20 PRO C O   
500 C CB  . PRO C 20 ? 0.0948 0.0936 0.1237 0.0022  -0.0096 -0.0077 20 PRO C CB  
501 C CG  . PRO C 20 ? 0.1323 0.1310 0.1605 0.0023  -0.0098 -0.0078 20 PRO C CG  
502 C CD  . PRO C 20 ? 0.0780 0.0766 0.1061 0.0026  -0.0103 -0.0081 20 PRO C CD  
503 N N   . HYP C 21 ? 0.0524 0.0510 0.0844 0.0019  -0.0098 -0.0072 21 HYP C N   
504 C CA  . HYP C 21 ? 0.0299 0.0285 0.0643 0.0017  -0.0098 -0.0068 21 HYP C CA  
505 C C   . HYP C 21 ? 0.0189 0.0176 0.0533 0.0018  -0.0098 -0.0068 21 HYP C C   
506 O O   . HYP C 21 ? 0.0579 0.0571 0.0904 0.0021  -0.0095 -0.0069 21 HYP C O   
507 C CB  . HYP C 21 ? 0.0652 0.0643 0.1016 0.0017  -0.0091 -0.0059 21 HYP C CB  
508 C CG  . HYP C 21 ? 0.0367 0.0357 0.0724 0.0017  -0.0093 -0.0063 21 HYP C CG  
509 C CD  . HYP C 21 ? 0.0157 0.0145 0.0487 0.0019  -0.0095 -0.0070 21 HYP C CD  
510 O OD1 . HYP C 21 ? 0.0727 0.0712 0.1092 0.0015  -0.0097 -0.0066 21 HYP C OD1 
511 N N   . GLY C 22 ? 0.0511 0.0500 0.0875 0.0019  -0.0099 -0.0065 22 GLY C N   
512 C CA  . GLY C 22 ? 0.0170 0.0169 0.0531 0.0025  -0.0095 -0.0061 22 GLY C CA  
513 C C   . GLY C 22 ? 0.0169 0.0185 0.0525 0.0034  -0.0084 -0.0051 22 GLY C C   
514 O O   . GLY C 22 ? 0.0663 0.0684 0.1018 0.0036  -0.0078 -0.0045 22 GLY C O   
515 N N   . PRO C 23 ? 0.0415 0.0442 0.0765 0.0043  -0.0080 -0.0048 23 PRO C N   
516 C CA  . PRO C 23 ? 0.0672 0.0716 0.1012 0.0059  -0.0069 -0.0039 23 PRO C CA  
517 C C   . PRO C 23 ? 0.0190 0.0250 0.0555 0.0069  -0.0055 -0.0022 23 PRO C C   
518 O O   . PRO C 23 ? 0.0468 0.0527 0.0866 0.0061  -0.0056 -0.0018 23 PRO C O   
519 C CB  . PRO C 23 ? 0.0755 0.0801 0.1084 0.0068  -0.0070 -0.0043 23 PRO C CB  
520 C CG  . PRO C 23 ? 0.0413 0.0453 0.0760 0.0060  -0.0077 -0.0045 23 PRO C CG  
521 C CD  . PRO C 23 ? 0.0824 0.0847 0.1174 0.0043  -0.0086 -0.0053 23 PRO C CD  
522 N N   . HYP C 24 ? 0.0427 0.0501 0.0779 0.0088  -0.0042 -0.0012 24 HYP C N   
523 C CA  . HYP C 24 ? 0.0216 0.0306 0.0593 0.0102  -0.0025 0.0006  24 HYP C CA  
524 C C   . HYP C 24 ? 0.0612 0.0711 0.1016 0.0108  -0.0018 0.0013  24 HYP C C   
525 O O   . HYP C 24 ? 0.0234 0.0332 0.0619 0.0117  -0.0022 0.0006  24 HYP C O   
526 C CB  . HYP C 24 ? 0.0426 0.0526 0.0768 0.0131  -0.0014 0.0011  24 HYP C CB  
527 C CG  . HYP C 24 ? 0.0222 0.0314 0.0536 0.0124  -0.0027 0.0001  24 HYP C CG  
528 C CD  . HYP C 24 ? 0.0562 0.0640 0.0879 0.0103  -0.0042 -0.0014 24 HYP C CD  
529 O OD1 . HYP C 24 ? 0.0539 0.0627 0.0864 0.0111  -0.0029 0.0003  24 HYP C OD1 
530 N N   . GLY C 25 ? 0.0237 0.0344 0.0688 0.0104  -0.0009 0.0027  25 GLY C N   
531 C CA  . GLY C 25 ? 0.0643 0.0762 0.1130 0.0110  -0.0002 0.0036  25 GLY C CA  
532 C C   . GLY C 25 ? 0.0279 0.0412 0.0750 0.0141  0.0017  0.0043  25 GLY C C   
533 O O   . GLY C 25 ? 0.0290 0.0421 0.0719 0.0160  0.0024  0.0040  25 GLY C O   
534 N N   . PRO C 26 ? 0.0296 0.0441 0.0799 0.0149  0.0025  0.0052  26 PRO C N   
535 C CA  . PRO C 26 ? 0.0351 0.0505 0.0844 0.0180  0.0045  0.0058  26 PRO C CA  
536 C C   . PRO C 26 ? 0.0609 0.0769 0.1122 0.0192  0.0074  0.0079  26 PRO C C   
537 O O   . PRO C 26 ? 0.0348 0.0512 0.0902 0.0174  0.0079  0.0095  26 PRO C O   
538 C CB  . PRO C 26 ? 0.0824 0.0991 0.1360 0.0181  0.0046  0.0065  26 PRO C CB  
539 C CG  . PRO C 26 ? 0.0768 0.0929 0.1324 0.0152  0.0020  0.0057  26 PRO C CG  
540 C CD  . PRO C 26 ? 0.0289 0.0438 0.0842 0.0131  0.0013  0.0055  26 PRO C CD  
541 N N   . HYP C 27 ? 0.0797 0.0953 0.1280 0.0222  0.0093  0.0081  27 HYP C N   
542 C CA  . HYP C 27 ? 0.0806 0.0965 0.1305 0.0237  0.0130  0.0109  27 HYP C CA  
543 C C   . HYP C 27 ? 0.1034 0.1214 0.1614 0.0229  0.0152  0.0140  27 HYP C C   
544 O O   . HYP C 27 ? 0.1523 0.1715 0.2135 0.0225  0.0142  0.0137  27 HYP C O   
545 C CB  . HYP C 27 ? 0.1018 0.1159 0.1463 0.0272  0.0147  0.0103  27 HYP C CB  
546 C CG  . HYP C 27 ? 0.1240 0.1365 0.1636 0.0273  0.0110  0.0064  27 HYP C CG  
547 C CD  . HYP C 27 ? 0.0956 0.1097 0.1386 0.0246  0.0086  0.0058  27 HYP C CD  
548 O OD1 . HYP C 27 ? 0.1885 0.1993 0.2239 0.0271  0.0093  0.0046  27 HYP C OD1 
549 N N   . GLY C 28 ? 0.1124 0.1309 0.1739 0.0229  0.0181  0.0171  28 GLY C N   
550 C CA  . GLY C 28 ? 0.1488 0.1692 0.2186 0.0225  0.0204  0.0203  28 GLY C CA  
551 C C   . GLY C 28 ? 0.1785 0.1996 0.2483 0.0256  0.0235  0.0217  28 GLY C C   
552 O O   . GLY C 28 ? 0.1630 0.1864 0.2400 0.0254  0.0246  0.0238  28 GLY C O   
# 
