data_8VHS
# 
_entry.id   8VHS 
# 
_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   8VHS         pdb_00008vhs 10.2210/pdb8vhs/pdb 
WWPDB D_1000280236 ?            ?                   
# 
_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       2025-04-16 
_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                        8VHS 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-02 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              saumenc@olemiss.edu 
_pdbx_contact_author.name_first         Saumen 
_pdbx_contact_author.name_last          Chakraborty 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-9256-2769 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Chakraborty, S.' 1 ? 
'Mitra, S.'       2 ? 
'Prakash, D.'     3 ? 
'Prasad, P.'      4 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Nat Commun' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-1723 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                3048 
_citation.page_last                 3048 
_citation.title                     
'Controlling outer-sphere solvent reorganization energy to turn on or off the function of artificial metalloenzymes.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41467-025-57904-5 
_citation.pdbx_database_id_PubMed   40155633 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Prakash, D.'     1 0000-0001-5025-3135 
primary 'Mitra, S.'       2 ?                   
primary 'Sony, S.'        3 ?                   
primary 'Murphy, M.'      4 ?                   
primary 'Andi, B.'        5 0000-0002-7666-639X 
primary 'Ashley, L.'      6 ?                   
primary 'Prasad, P.'      7 ?                   
primary 'Chakraborty, S.' 8 0000-0002-9256-2769 
# 
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 Cu-4SCC           4013.703 4   ? ? ? ? 
2 non-polymer syn 'COPPER (II) ION' 63.546   1   ? ? ? ? 
3 water       nat water             18.015   101 ? ? ? ? 
# 
_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)GLAAIKQEHAAIKQELAAIKQELAAIKQELAAIKWEG(NH2)' 
_entity_poly.pdbx_seq_one_letter_code_can   XGLAAIKQEHAAIKQELAAIKQELAAIKQELAAIKWEGX 
_entity_poly.pdbx_strand_id                 A,B,C,D 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'COPPER (II) ION' CU  
3 water             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  GLY n 
1 3  LEU n 
1 4  ALA n 
1 5  ALA n 
1 6  ILE n 
1 7  LYS n 
1 8  GLN n 
1 9  GLU n 
1 10 HIS n 
1 11 ALA n 
1 12 ALA n 
1 13 ILE n 
1 14 LYS n 
1 15 GLN n 
1 16 GLU n 
1 17 LEU n 
1 18 ALA n 
1 19 ALA n 
1 20 ILE n 
1 21 LYS n 
1 22 GLN n 
1 23 GLU n 
1 24 LEU n 
1 25 ALA n 
1 26 ALA n 
1 27 ILE n 
1 28 LYS n 
1 29 GLN n 
1 30 GLU n 
1 31 LEU n 
1 32 ALA n 
1 33 ALA n 
1 34 ILE n 
1 35 LYS n 
1 36 TRP n 
1 37 GLU n 
1 38 GLY n 
1 39 NH2 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       39 
_pdbx_entity_src_syn.organism_scientific    'synthetic construct' 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       32630 
_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  
ALA 'L-peptide linking' y ALANINE           ? 'C3 H7 N O2'     89.093  
CU  non-polymer         . 'COPPER (II) ION' ? 'Cu 2'           63.546  
GLN 'L-peptide linking' y GLUTAMINE         ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'   ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE           ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE         ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER             ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE        ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE           ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE            ? 'C6 H15 N2 O2 1' 147.195 
NH2 non-polymer         . 'AMINO GROUP'     ? 'H2 N'           16.023  
TRP 'L-peptide linking' y TRYPTOPHAN        ? 'C11 H12 N2 O2'  204.225 
# 
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  0  0  ACE ACE A . n 
A 1 2  GLY 2  1  1  GLY GLY A . n 
A 1 3  LEU 3  2  2  LEU LEU A . n 
A 1 4  ALA 4  3  3  ALA ALA A . n 
A 1 5  ALA 5  4  4  ALA ALA A . n 
A 1 6  ILE 6  5  5  ILE ILE A . n 
A 1 7  LYS 7  6  6  LYS LYS A . n 
A 1 8  GLN 8  7  7  GLN GLN A . n 
A 1 9  GLU 9  8  8  GLU GLU A . n 
A 1 10 HIS 10 9  9  HIS HIS A . n 
A 1 11 ALA 11 10 10 ALA ALA A . n 
A 1 12 ALA 12 11 11 ALA ALA A . n 
A 1 13 ILE 13 12 12 ILE ILE A . n 
A 1 14 LYS 14 13 13 LYS LYS A . n 
A 1 15 GLN 15 14 14 GLN GLN A . n 
A 1 16 GLU 16 15 15 GLU GLU A . n 
A 1 17 LEU 17 16 16 LEU LEU A . n 
A 1 18 ALA 18 17 17 ALA ALA A . n 
A 1 19 ALA 19 18 18 ALA ALA A . n 
A 1 20 ILE 20 19 19 ILE ILE A . n 
A 1 21 LYS 21 20 20 LYS LYS A . n 
A 1 22 GLN 22 21 21 GLN GLN A . n 
A 1 23 GLU 23 22 22 GLU GLU A . n 
A 1 24 LEU 24 23 23 LEU LEU A . n 
A 1 25 ALA 25 24 24 ALA ALA A . n 
A 1 26 ALA 26 25 25 ALA ALA A . n 
A 1 27 ILE 27 26 26 ILE ILE A . n 
A 1 28 LYS 28 27 27 LYS LYS A . n 
A 1 29 GLN 29 28 28 GLN GLN A . n 
A 1 30 GLU 30 29 29 GLU GLU A . n 
A 1 31 LEU 31 30 30 LEU LEU A . n 
A 1 32 ALA 32 31 31 ALA ALA A . n 
A 1 33 ALA 33 32 32 ALA ALA A . n 
A 1 34 ILE 34 33 33 ILE ILE A . n 
A 1 35 LYS 35 34 34 LYS LYS A . n 
A 1 36 TRP 36 35 35 TRP TRP A . n 
A 1 37 GLU 37 36 36 GLU GLU A . n 
A 1 38 GLY 38 37 37 GLY GLY A . n 
A 1 39 NH2 39 38 37 NH2 NH2 A . n 
B 1 1  ACE 1  0  0  ACE ACE B . n 
B 1 2  GLY 2  1  1  GLY GLY B . n 
B 1 3  LEU 3  2  2  LEU LEU B . n 
B 1 4  ALA 4  3  3  ALA ALA B . n 
B 1 5  ALA 5  4  4  ALA ALA B . n 
B 1 6  ILE 6  5  5  ILE ILE B . n 
B 1 7  LYS 7  6  6  LYS LYS B . n 
B 1 8  GLN 8  7  7  GLN GLN B . n 
B 1 9  GLU 9  8  8  GLU GLU B . n 
B 1 10 HIS 10 9  9  HIS HIS B . n 
B 1 11 ALA 11 10 10 ALA ALA B . n 
B 1 12 ALA 12 11 11 ALA ALA B . n 
B 1 13 ILE 13 12 12 ILE ILE B . n 
B 1 14 LYS 14 13 13 LYS LYS B . n 
B 1 15 GLN 15 14 14 GLN GLN B . n 
B 1 16 GLU 16 15 15 GLU GLU B . n 
B 1 17 LEU 17 16 16 LEU LEU B . n 
B 1 18 ALA 18 17 17 ALA ALA B . n 
B 1 19 ALA 19 18 18 ALA ALA B . n 
B 1 20 ILE 20 19 19 ILE ILE B . n 
B 1 21 LYS 21 20 20 LYS LYS B . n 
B 1 22 GLN 22 21 21 GLN GLN B . n 
B 1 23 GLU 23 22 22 GLU GLU B . n 
B 1 24 LEU 24 23 23 LEU LEU B . n 
B 1 25 ALA 25 24 24 ALA ALA B . n 
B 1 26 ALA 26 25 25 ALA ALA B . n 
B 1 27 ILE 27 26 26 ILE ILE B . n 
B 1 28 LYS 28 27 27 LYS LYS B . n 
B 1 29 GLN 29 28 28 GLN GLN B . n 
B 1 30 GLU 30 29 29 GLU GLU B . n 
B 1 31 LEU 31 30 30 LEU LEU B . n 
B 1 32 ALA 32 31 31 ALA ALA B . n 
B 1 33 ALA 33 32 32 ALA ALA B . n 
B 1 34 ILE 34 33 33 ILE ILE B . n 
B 1 35 LYS 35 34 34 LYS LYS B . n 
B 1 36 TRP 36 35 35 TRP TRP B . n 
B 1 37 GLU 37 36 36 GLU GLU B . n 
B 1 38 GLY 38 37 37 GLY GLY B . n 
B 1 39 NH2 39 38 37 NH2 NH2 B . n 
C 1 1  ACE 1  0  ?  ?   ?   C . n 
C 1 2  GLY 2  1  1  GLY GLY C . n 
C 1 3  LEU 3  2  2  LEU LEU C . n 
C 1 4  ALA 4  3  3  ALA ALA C . n 
C 1 5  ALA 5  4  4  ALA ALA C . n 
C 1 6  ILE 6  5  5  ILE ILE C . n 
C 1 7  LYS 7  6  6  LYS LYS C . n 
C 1 8  GLN 8  7  7  GLN GLN C . n 
C 1 9  GLU 9  8  8  GLU GLU C . n 
C 1 10 HIS 10 9  9  HIS HIS C . n 
C 1 11 ALA 11 10 10 ALA ALA C . n 
C 1 12 ALA 12 11 11 ALA ALA C . n 
C 1 13 ILE 13 12 12 ILE ILE C . n 
C 1 14 LYS 14 13 13 LYS LYS C . n 
C 1 15 GLN 15 14 14 GLN GLN C . n 
C 1 16 GLU 16 15 15 GLU GLU C . n 
C 1 17 LEU 17 16 16 LEU LEU C . n 
C 1 18 ALA 18 17 17 ALA ALA C . n 
C 1 19 ALA 19 18 18 ALA ALA C . n 
C 1 20 ILE 20 19 19 ILE ILE C . n 
C 1 21 LYS 21 20 20 LYS LYS C . n 
C 1 22 GLN 22 21 21 GLN GLN C . n 
C 1 23 GLU 23 22 22 GLU GLU C . n 
C 1 24 LEU 24 23 23 LEU LEU C . n 
C 1 25 ALA 25 24 24 ALA ALA C . n 
C 1 26 ALA 26 25 25 ALA ALA C . n 
C 1 27 ILE 27 26 26 ILE ILE C . n 
C 1 28 LYS 28 27 27 LYS LYS C . n 
C 1 29 GLN 29 28 28 GLN GLN C . n 
C 1 30 GLU 30 29 29 GLU GLU C . n 
C 1 31 LEU 31 30 30 LEU LEU C . n 
C 1 32 ALA 32 31 31 ALA ALA C . n 
C 1 33 ALA 33 32 32 ALA ALA C . n 
C 1 34 ILE 34 33 33 ILE ILE C . n 
C 1 35 LYS 35 34 34 LYS LYS C . n 
C 1 36 TRP 36 35 35 TRP TRP C . n 
C 1 37 GLU 37 36 36 GLU GLU C . n 
C 1 38 GLY 38 37 37 GLY GLY C . n 
C 1 39 NH2 39 38 37 NH2 NH2 C . n 
D 1 1  ACE 1  0  0  ACE ACE D . n 
D 1 2  GLY 2  1  1  GLY GLY D . n 
D 1 3  LEU 3  2  2  LEU LEU D . n 
D 1 4  ALA 4  3  3  ALA ALA D . n 
D 1 5  ALA 5  4  4  ALA ALA D . n 
D 1 6  ILE 6  5  5  ILE ILE D . n 
D 1 7  LYS 7  6  6  LYS LYS D . n 
D 1 8  GLN 8  7  7  GLN GLN D . n 
D 1 9  GLU 9  8  8  GLU GLU D . n 
D 1 10 HIS 10 9  9  HIS HIS D . n 
D 1 11 ALA 11 10 10 ALA ALA D . n 
D 1 12 ALA 12 11 11 ALA ALA D . n 
D 1 13 ILE 13 12 12 ILE ILE D . n 
D 1 14 LYS 14 13 13 LYS LYS D . n 
D 1 15 GLN 15 14 14 GLN GLN D . n 
D 1 16 GLU 16 15 15 GLU GLU D . n 
D 1 17 LEU 17 16 16 LEU LEU D . n 
D 1 18 ALA 18 17 17 ALA ALA D . n 
D 1 19 ALA 19 18 18 ALA ALA D . n 
D 1 20 ILE 20 19 19 ILE ILE D . n 
D 1 21 LYS 21 20 20 LYS LYS D . n 
D 1 22 GLN 22 21 21 GLN GLN D . n 
D 1 23 GLU 23 22 22 GLU GLU D . n 
D 1 24 LEU 24 23 23 LEU LEU D . n 
D 1 25 ALA 25 24 24 ALA ALA D . n 
D 1 26 ALA 26 25 25 ALA ALA D . n 
D 1 27 ILE 27 26 26 ILE ILE D . n 
D 1 28 LYS 28 27 27 LYS LYS D . n 
D 1 29 GLN 29 28 28 GLN GLN D . n 
D 1 30 GLU 30 29 29 GLU GLU D . n 
D 1 31 LEU 31 30 30 LEU LEU D . n 
D 1 32 ALA 32 31 31 ALA ALA D . n 
D 1 33 ALA 33 32 32 ALA ALA D . n 
D 1 34 ILE 34 33 33 ILE ILE D . n 
D 1 35 LYS 35 34 34 LYS LYS D . n 
D 1 36 TRP 36 35 35 TRP TRP D . n 
D 1 37 GLU 37 36 ?  ?   ?   D . n 
D 1 38 GLY 38 37 ?  ?   ?   D . n 
D 1 39 NH2 39 38 ?  ?   ?   D . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        CU 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   CU 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
E 2 CU  1  101 1   CU  CU  A . 
F 3 HOH 1  201 1   HOH HOH A . 
F 3 HOH 2  202 2   HOH HOH A . 
F 3 HOH 3  203 3   HOH HOH A . 
F 3 HOH 4  204 4   HOH HOH A . 
F 3 HOH 5  205 5   HOH HOH A . 
F 3 HOH 6  206 8   HOH HOH A . 
F 3 HOH 7  207 72  HOH HOH A . 
F 3 HOH 8  208 9   HOH HOH A . 
F 3 HOH 9  209 87  HOH HOH A . 
F 3 HOH 10 210 10  HOH HOH A . 
F 3 HOH 11 211 11  HOH HOH A . 
F 3 HOH 12 212 7   HOH HOH A . 
F 3 HOH 13 213 86  HOH HOH A . 
F 3 HOH 14 214 13  HOH HOH A . 
F 3 HOH 15 215 12  HOH HOH A . 
F 3 HOH 16 216 76  HOH HOH A . 
F 3 HOH 17 217 14  HOH HOH A . 
F 3 HOH 18 218 100 HOH HOH A . 
F 3 HOH 19 219 94  HOH HOH A . 
F 3 HOH 20 220 15  HOH HOH A . 
F 3 HOH 21 221 16  HOH HOH A . 
F 3 HOH 22 222 17  HOH HOH A . 
F 3 HOH 23 223 83  HOH HOH A . 
F 3 HOH 24 224 101 HOH HOH A . 
F 3 HOH 25 225 69  HOH HOH A . 
F 3 HOH 26 226 97  HOH HOH A . 
F 3 HOH 27 227 78  HOH HOH A . 
F 3 HOH 28 228 18  HOH HOH A . 
F 3 HOH 29 229 19  HOH HOH A . 
F 3 HOH 30 230 20  HOH HOH A . 
G 3 HOH 1  101 21  HOH HOH B . 
G 3 HOH 2  102 22  HOH HOH B . 
G 3 HOH 3  103 23  HOH HOH B . 
G 3 HOH 4  104 67  HOH HOH B . 
G 3 HOH 5  105 26  HOH HOH B . 
G 3 HOH 6  106 75  HOH HOH B . 
G 3 HOH 7  107 96  HOH HOH B . 
G 3 HOH 8  108 27  HOH HOH B . 
G 3 HOH 9  109 25  HOH HOH B . 
G 3 HOH 10 110 30  HOH HOH B . 
G 3 HOH 11 111 63  HOH HOH B . 
G 3 HOH 12 112 24  HOH HOH B . 
G 3 HOH 13 113 29  HOH HOH B . 
G 3 HOH 14 114 28  HOH HOH B . 
G 3 HOH 15 115 31  HOH HOH B . 
G 3 HOH 16 116 33  HOH HOH B . 
G 3 HOH 17 117 32  HOH HOH B . 
G 3 HOH 18 118 79  HOH HOH B . 
G 3 HOH 19 119 61  HOH HOH B . 
G 3 HOH 20 120 59  HOH HOH B . 
G 3 HOH 21 121 64  HOH HOH B . 
G 3 HOH 22 122 34  HOH HOH B . 
G 3 HOH 23 123 95  HOH HOH B . 
H 3 HOH 1  101 35  HOH HOH C . 
H 3 HOH 2  102 37  HOH HOH C . 
H 3 HOH 3  103 36  HOH HOH C . 
H 3 HOH 4  104 90  HOH HOH C . 
H 3 HOH 5  105 66  HOH HOH C . 
H 3 HOH 6  106 88  HOH HOH C . 
H 3 HOH 7  107 6   HOH HOH C . 
H 3 HOH 8  108 80  HOH HOH C . 
H 3 HOH 9  109 51  HOH HOH C . 
H 3 HOH 10 110 91  HOH HOH C . 
H 3 HOH 11 111 38  HOH HOH C . 
H 3 HOH 12 112 71  HOH HOH C . 
H 3 HOH 13 113 39  HOH HOH C . 
H 3 HOH 14 114 99  HOH HOH C . 
H 3 HOH 15 115 40  HOH HOH C . 
H 3 HOH 16 116 41  HOH HOH C . 
H 3 HOH 17 117 42  HOH HOH C . 
H 3 HOH 18 118 43  HOH HOH C . 
H 3 HOH 19 119 98  HOH HOH C . 
H 3 HOH 20 120 60  HOH HOH C . 
H 3 HOH 21 121 89  HOH HOH C . 
H 3 HOH 22 122 70  HOH HOH C . 
H 3 HOH 23 123 74  HOH HOH C . 
H 3 HOH 24 124 44  HOH HOH C . 
H 3 HOH 25 125 45  HOH HOH C . 
H 3 HOH 26 126 46  HOH HOH C . 
I 3 HOH 1  101 47  HOH HOH D . 
I 3 HOH 2  102 49  HOH HOH D . 
I 3 HOH 3  103 48  HOH HOH D . 
I 3 HOH 4  104 85  HOH HOH D . 
I 3 HOH 5  105 52  HOH HOH D . 
I 3 HOH 6  106 50  HOH HOH D . 
I 3 HOH 7  107 53  HOH HOH D . 
I 3 HOH 8  108 54  HOH HOH D . 
I 3 HOH 9  109 82  HOH HOH D . 
I 3 HOH 10 110 62  HOH HOH D . 
I 3 HOH 11 111 84  HOH HOH D . 
I 3 HOH 12 112 57  HOH HOH D . 
I 3 HOH 13 113 56  HOH HOH D . 
I 3 HOH 14 114 65  HOH HOH D . 
I 3 HOH 15 115 55  HOH HOH D . 
I 3 HOH 16 116 77  HOH HOH D . 
I 3 HOH 17 117 92  HOH HOH D . 
I 3 HOH 18 118 73  HOH HOH D . 
I 3 HOH 19 119 81  HOH HOH D . 
I 3 HOH 20 120 93  HOH HOH D . 
I 3 HOH 21 121 58  HOH HOH D . 
I 3 HOH 22 122 68  HOH HOH D . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 B LYS 27 ? CD  ? B LYS 28 CD  
2  1 Y 1 B LYS 27 ? CE  ? B LYS 28 CE  
3  1 Y 1 B LYS 27 ? NZ  ? B LYS 28 NZ  
4  1 Y 1 D TRP 35 ? CG  ? D TRP 36 CG  
5  1 Y 1 D TRP 35 ? CD1 ? D TRP 36 CD1 
6  1 Y 1 D TRP 35 ? CD2 ? D TRP 36 CD2 
7  1 Y 1 D TRP 35 ? NE1 ? D TRP 36 NE1 
8  1 Y 1 D TRP 35 ? CE2 ? D TRP 36 CE2 
9  1 Y 1 D TRP 35 ? CE3 ? D TRP 36 CE3 
10 1 Y 1 D TRP 35 ? CZ2 ? D TRP 36 CZ2 
11 1 Y 1 D TRP 35 ? CZ3 ? D TRP 36 CZ3 
12 1 Y 1 D TRP 35 ? CH2 ? D TRP 36 CH2 
# 
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     ? ? ? 0.7.4       2 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.27        3 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? XDS         ? ? ? .           4 
? phasing           ? ? ? ? ? ? ? ? ? ? ? PHASER      ? ? ? .           5 
? 'model building'  ? ? ? ? ? ? ? ? ? ? ? BUCCANEER   ? ? ? .           6 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8VHS 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     26.410 
_cell.length_a_esd                 ? 
_cell.length_b                     45.470 
_cell.length_b_esd                 ? 
_cell.length_c                     97.950 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        16 
_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                         8VHS 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_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                   8VHS 
_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             1.88 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          34.48 
_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              8.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1 M Tris pH8.5, 2 M ammonium sulfate, peptide concentration 45 mg/mL with 1 equivalent Cu2+' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_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                         'MARMOSAIC 300 mm CCD' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2020-06-27 
_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   0.97856 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'APS BEAMLINE 21-ID-G' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97856 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   21-ID-G 
_diffrn_source.pdbx_synchrotron_site       APS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8VHS 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.36 
_reflns.d_resolution_low                               26.52 
_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                                     54455 
_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                           98.36 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                1.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          10.68 
_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                                   1 
_reflns.pdbx_CC_star                                   1 
_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                                    1.36 
_reflns_shell.d_res_low                                     1.41 
_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                             887 
_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                               1.0 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     0.55 
_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                                  1 
_reflns_shell.pdbx_CC_star                                  1 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          88.94 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8VHS 
_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                            1.36 
_refine.ls_d_res_low                             26.52 
_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                     25780 
_refine.ls_number_reflns_R_free                  1260 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.36 
_refine.ls_percent_reflns_R_free                 4.89 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1968 
_refine.ls_R_factor_R_free                       0.2253 
_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                          1.36 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      3R4A 
_refine.pdbx_stereochemistry_target_values       MLHL 
_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                 22.24 
_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                            0.15 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.36 
_refine_hist.d_res_low                        26.52 
_refine_hist.number_atoms_solvent             101 
_refine_hist.number_atoms_total               1209 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1107 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         1 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.008  ? ?   ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.887  ? ?   ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 19.656 ? 166 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.050  ? 185 ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.004  ? 213 ? 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' 1.36 1.41  . . 114 2427 89.00  . . . . 0.2529 . . . . . . . . . . . 0.2691 
'X-RAY DIFFRACTION' 1.41 1.48  . . 139 2642 97.00  . . . . 0.2270 . . . . . . . . . . . 0.2495 
'X-RAY DIFFRACTION' 1.48 1.56  . . 162 2696 99.00  . . . . 0.2001 . . . . . . . . . . . 0.2298 
'X-RAY DIFFRACTION' 1.56 1.65  . . 147 2711 100.00 . . . . 0.1827 . . . . . . . . . . . 0.2321 
'X-RAY DIFFRACTION' 1.65 1.78  . . 159 2710 100.00 . . . . 0.1996 . . . . . . . . . . . 0.2320 
'X-RAY DIFFRACTION' 1.78 1.96  . . 126 2764 100.00 . . . . 0.1880 . . . . . . . . . . . 0.2434 
'X-RAY DIFFRACTION' 1.96 2.24  . . 137 2783 100.00 . . . . 0.1890 . . . . . . . . . . . 0.2021 
'X-RAY DIFFRACTION' 2.24 2.83  . . 124 2823 100.00 . . . . 0.1890 . . . . . . . . . . . 0.2372 
'X-RAY DIFFRACTION' 2.83 26.52 . . 152 2965 100.00 . . . . 0.1975 . . . . . . . . . . . 0.2184 
# 
_struct.entry_id                     8VHS 
_struct.title                        
'X-ray Structure of a De Novo Designed Self Assembled Peptide Tetramer Featuring a Cu(His)4(H2O) Coordination Motif' 
_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        8VHS 
_struct_keywords.text            'De novo design; Peptides; Self-assembly; Copper, DE NOVO PROTEIN' 
_struct_keywords.pdbx_keywords   'DE NOVO PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
C N N 1 ? 
D N N 1 ? 
E N N 2 ? 
F N N 3 ? 
G N N 3 ? 
H N N 3 ? 
I N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    8VHS 
_struct_ref.pdbx_db_accession          8VHS 
_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 8VHS A 1 ? 38 ? 8VHS 0 ? 37 ? 0 37 
2 1 8VHS B 1 ? 38 ? 8VHS 0 ? 37 ? 0 37 
3 1 8VHS C 1 ? 38 ? 8VHS 0 ? 37 ? 0 37 
4 1 8VHS D 1 ? 39 ? 8VHS 0 ? 38 ? 0 38 
# 
_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   tetrameric 
_pdbx_struct_assembly.oligomeric_count     4 
# 
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)' 7040 ? 
1 MORE         -69  ? 
1 'SSA (A^2)'  8630 ? 
# 
_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,G,H,I 
# 
_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_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 2 ? TRP A 36 ? GLY A 1 TRP A 35 1 ? 35 
HELX_P HELX_P2 AA2 GLY B 2 ? ILE B 34 ? GLY B 1 ILE B 33 1 ? 33 
HELX_P HELX_P3 AA3 LEU C 3 ? GLY C 38 ? LEU C 2 GLY C 37 1 ? 36 
HELX_P HELX_P4 AA4 GLY D 2 ? LYS D 35 ? GLY D 1 LYS D 34 1 ? 34 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1 covale both ? A ACE 1  C   ? ? ? 1_555 A GLY 2  N   ? ? A ACE 0   A GLY 1   1_555 ? ? ? ? ? ? ? 1.290 ? ? 
covale2 covale both ? A GLY 38 C   ? ? ? 1_555 A NH2 39 N   ? ? A GLY 37  A NH2 38  1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale3 covale both ? B ACE 1  C   ? ? ? 1_555 B GLY 2  N   ? ? B ACE 0   B GLY 1   1_555 ? ? ? ? ? ? ? 1.332 ? ? 
covale4 covale both ? B GLY 38 C   ? ? ? 1_555 B NH2 39 N   ? ? B GLY 37  B NH2 38  1_555 ? ? ? ? ? ? ? 1.312 ? ? 
covale5 covale both ? C GLY 38 C   ? ? ? 1_555 C NH2 39 N   ? ? C GLY 37  C NH2 38  1_555 ? ? ? ? ? ? ? 1.321 ? ? 
covale6 covale both ? D ACE 1  C   ? ? ? 1_555 D GLY 2  N   ? ? D ACE 0   D GLY 1   1_555 ? ? ? ? ? ? ? 1.294 ? ? 
metalc1 metalc ?    ? A HIS 10 NE2 ? ? ? 1_555 E CU  .  CU  ? ? A HIS 9   A CU  101 1_555 ? ? ? ? ? ? ? 2.159 ? ? 
metalc2 metalc ?    ? E CU  .  CU  ? ? ? 1_555 B HIS 10 NE2 ? ? A CU  101 B HIS 9   1_555 ? ? ? ? ? ? ? 2.024 ? ? 
metalc3 metalc ?    ? E CU  .  CU  ? ? ? 1_555 C HIS 10 NE2 ? ? A CU  101 C HIS 9   1_555 ? ? ? ? ? ? ? 1.983 ? ? 
metalc4 metalc ?    ? E CU  .  CU  ? ? ? 1_555 H HOH .  O   ? ? A CU  101 C HOH 118 1_555 ? ? ? ? ? ? ? 2.562 ? ? 
metalc5 metalc ?    ? E CU  .  CU  ? ? ? 1_555 D HIS 10 NE2 ? ? A CU  101 D HIS 9   1_555 ? ? ? ? ? ? ? 2.133 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  NE2 ? A HIS 10 ? A HIS 9   ? 1_555 CU ? E CU . ? A CU 101 ? 1_555 NE2 ? B HIS 10 ? B HIS 9   ? 1_555 89.7  ? 
2  NE2 ? A HIS 10 ? A HIS 9   ? 1_555 CU ? E CU . ? A CU 101 ? 1_555 NE2 ? C HIS 10 ? C HIS 9   ? 1_555 90.3  ? 
3  NE2 ? B HIS 10 ? B HIS 9   ? 1_555 CU ? E CU . ? A CU 101 ? 1_555 NE2 ? C HIS 10 ? C HIS 9   ? 1_555 171.5 ? 
4  NE2 ? A HIS 10 ? A HIS 9   ? 1_555 CU ? E CU . ? A CU 101 ? 1_555 O   ? H HOH .  ? C HOH 118 ? 1_555 92.6  ? 
5  NE2 ? B HIS 10 ? B HIS 9   ? 1_555 CU ? E CU . ? A CU 101 ? 1_555 O   ? H HOH .  ? C HOH 118 ? 1_555 85.9  ? 
6  NE2 ? C HIS 10 ? C HIS 9   ? 1_555 CU ? E CU . ? A CU 101 ? 1_555 O   ? H HOH .  ? C HOH 118 ? 1_555 85.6  ? 
7  NE2 ? A HIS 10 ? A HIS 9   ? 1_555 CU ? E CU . ? A CU 101 ? 1_555 NE2 ? D HIS 10 ? D HIS 9   ? 1_555 166.2 ? 
8  NE2 ? B HIS 10 ? B HIS 9   ? 1_555 CU ? E CU . ? A CU 101 ? 1_555 NE2 ? D HIS 10 ? D HIS 9   ? 1_555 89.3  ? 
9  NE2 ? C HIS 10 ? C HIS 9   ? 1_555 CU ? E CU . ? A CU 101 ? 1_555 NE2 ? D HIS 10 ? D HIS 9   ? 1_555 92.6  ? 
10 O   ? H HOH .  ? C HOH 118 ? 1_555 CU ? E CU . ? A CU 101 ? 1_555 NE2 ? D HIS 10 ? D HIS 9   ? 1_555 101.0 ? 
# 
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 ACE A 1  ? GLY A 2  ? ACE A 0  ? 1_555 GLY A 1  ? 1_555 . . GLY 12 ACE None 'Terminal acetylation' 
2 ACE B 1  ? GLY B 2  ? ACE B 0  ? 1_555 GLY B 1  ? 1_555 . . GLY 12 ACE None 'Terminal acetylation' 
3 ACE D 1  ? GLY D 2  ? ACE D 0  ? 1_555 GLY D 1  ? 1_555 . . GLY 12 ACE None 'Terminal acetylation' 
4 NH2 A 39 ? GLY A 38 ? NH2 A 38 ? 1_555 GLY A 37 ? 1_555 . . GLY 12 NH2 None 'Terminal amidation'   
5 NH2 B 39 ? GLY B 38 ? NH2 B 38 ? 1_555 GLY B 37 ? 1_555 . . GLY 12 NH2 None 'Terminal amidation'   
6 NH2 C 39 ? GLY C 38 ? NH2 C 38 ? 1_555 GLY C 37 ? 1_555 . . GLY 12 NH2 None 'Terminal amidation'   
# 
_pdbx_entry_details.entry_id                   8VHS 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 C ACE 0  ? C ACE 1  
2 1 Y 1 D GLU 36 ? D GLU 37 
3 1 Y 1 D GLY 37 ? D GLY 38 
4 1 Y 1 D NH2 38 ? D NH2 39 
# 
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   
ALA N    N  N N 8   
ALA CA   C  N S 9   
ALA C    C  N N 10  
ALA O    O  N N 11  
ALA CB   C  N N 12  
ALA OXT  O  N N 13  
ALA H    H  N N 14  
ALA H2   H  N N 15  
ALA HA   H  N N 16  
ALA HB1  H  N N 17  
ALA HB2  H  N N 18  
ALA HB3  H  N N 19  
ALA HXT  H  N N 20  
CU  CU   CU N N 21  
GLN N    N  N N 22  
GLN CA   C  N S 23  
GLN C    C  N N 24  
GLN O    O  N N 25  
GLN CB   C  N N 26  
GLN CG   C  N N 27  
GLN CD   C  N N 28  
GLN OE1  O  N N 29  
GLN NE2  N  N N 30  
GLN OXT  O  N N 31  
GLN H    H  N N 32  
GLN H2   H  N N 33  
GLN HA   H  N N 34  
GLN HB2  H  N N 35  
GLN HB3  H  N N 36  
GLN HG2  H  N N 37  
GLN HG3  H  N N 38  
GLN HE21 H  N N 39  
GLN HE22 H  N N 40  
GLN HXT  H  N N 41  
GLU N    N  N N 42  
GLU CA   C  N S 43  
GLU C    C  N N 44  
GLU O    O  N N 45  
GLU CB   C  N N 46  
GLU CG   C  N N 47  
GLU CD   C  N N 48  
GLU OE1  O  N N 49  
GLU OE2  O  N N 50  
GLU OXT  O  N N 51  
GLU H    H  N N 52  
GLU H2   H  N N 53  
GLU HA   H  N N 54  
GLU HB2  H  N N 55  
GLU HB3  H  N N 56  
GLU HG2  H  N N 57  
GLU HG3  H  N N 58  
GLU HE2  H  N N 59  
GLU HXT  H  N N 60  
GLY N    N  N N 61  
GLY CA   C  N N 62  
GLY C    C  N N 63  
GLY O    O  N N 64  
GLY OXT  O  N N 65  
GLY H    H  N N 66  
GLY H2   H  N N 67  
GLY HA2  H  N N 68  
GLY HA3  H  N N 69  
GLY HXT  H  N N 70  
HIS N    N  N N 71  
HIS CA   C  N S 72  
HIS C    C  N N 73  
HIS O    O  N N 74  
HIS CB   C  N N 75  
HIS CG   C  Y N 76  
HIS ND1  N  Y N 77  
HIS CD2  C  Y N 78  
HIS CE1  C  Y N 79  
HIS NE2  N  Y N 80  
HIS OXT  O  N N 81  
HIS H    H  N N 82  
HIS H2   H  N N 83  
HIS HA   H  N N 84  
HIS HB2  H  N N 85  
HIS HB3  H  N N 86  
HIS HD1  H  N N 87  
HIS HD2  H  N N 88  
HIS HE1  H  N N 89  
HIS HE2  H  N N 90  
HIS HXT  H  N N 91  
HOH O    O  N N 92  
HOH H1   H  N N 93  
HOH H2   H  N N 94  
ILE N    N  N N 95  
ILE CA   C  N S 96  
ILE C    C  N N 97  
ILE O    O  N N 98  
ILE CB   C  N S 99  
ILE CG1  C  N N 100 
ILE CG2  C  N N 101 
ILE CD1  C  N N 102 
ILE OXT  O  N N 103 
ILE H    H  N N 104 
ILE H2   H  N N 105 
ILE HA   H  N N 106 
ILE HB   H  N N 107 
ILE HG12 H  N N 108 
ILE HG13 H  N N 109 
ILE HG21 H  N N 110 
ILE HG22 H  N N 111 
ILE HG23 H  N N 112 
ILE HD11 H  N N 113 
ILE HD12 H  N N 114 
ILE HD13 H  N N 115 
ILE HXT  H  N N 116 
LEU N    N  N N 117 
LEU CA   C  N S 118 
LEU C    C  N N 119 
LEU O    O  N N 120 
LEU CB   C  N N 121 
LEU CG   C  N N 122 
LEU CD1  C  N N 123 
LEU CD2  C  N N 124 
LEU OXT  O  N N 125 
LEU H    H  N N 126 
LEU H2   H  N N 127 
LEU HA   H  N N 128 
LEU HB2  H  N N 129 
LEU HB3  H  N N 130 
LEU HG   H  N N 131 
LEU HD11 H  N N 132 
LEU HD12 H  N N 133 
LEU HD13 H  N N 134 
LEU HD21 H  N N 135 
LEU HD22 H  N N 136 
LEU HD23 H  N N 137 
LEU HXT  H  N N 138 
LYS N    N  N N 139 
LYS CA   C  N S 140 
LYS C    C  N N 141 
LYS O    O  N N 142 
LYS CB   C  N N 143 
LYS CG   C  N N 144 
LYS CD   C  N N 145 
LYS CE   C  N N 146 
LYS NZ   N  N N 147 
LYS OXT  O  N N 148 
LYS H    H  N N 149 
LYS H2   H  N N 150 
LYS HA   H  N N 151 
LYS HB2  H  N N 152 
LYS HB3  H  N N 153 
LYS HG2  H  N N 154 
LYS HG3  H  N N 155 
LYS HD2  H  N N 156 
LYS HD3  H  N N 157 
LYS HE2  H  N N 158 
LYS HE3  H  N N 159 
LYS HZ1  H  N N 160 
LYS HZ2  H  N N 161 
LYS HZ3  H  N N 162 
LYS HXT  H  N N 163 
NH2 N    N  N N 164 
NH2 HN1  H  N N 165 
NH2 HN2  H  N N 166 
TRP N    N  N N 167 
TRP CA   C  N S 168 
TRP C    C  N N 169 
TRP O    O  N N 170 
TRP CB   C  N N 171 
TRP CG   C  Y N 172 
TRP CD1  C  Y N 173 
TRP CD2  C  Y N 174 
TRP NE1  N  Y N 175 
TRP CE2  C  Y N 176 
TRP CE3  C  Y N 177 
TRP CZ2  C  Y N 178 
TRP CZ3  C  Y N 179 
TRP CH2  C  Y N 180 
TRP OXT  O  N N 181 
TRP H    H  N N 182 
TRP H2   H  N N 183 
TRP HA   H  N N 184 
TRP HB2  H  N N 185 
TRP HB3  H  N N 186 
TRP HD1  H  N N 187 
TRP HE1  H  N N 188 
TRP HE3  H  N N 189 
TRP HZ2  H  N N 190 
TRP HZ3  H  N N 191 
TRP HH2  H  N N 192 
TRP HXT  H  N N 193 
# 
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   
ALA N   CA   sing N N 7   
ALA N   H    sing N N 8   
ALA N   H2   sing N N 9   
ALA CA  C    sing N N 10  
ALA CA  CB   sing N N 11  
ALA CA  HA   sing N N 12  
ALA C   O    doub N N 13  
ALA C   OXT  sing N N 14  
ALA CB  HB1  sing N N 15  
ALA CB  HB2  sing N N 16  
ALA CB  HB3  sing N N 17  
ALA OXT HXT  sing N N 18  
GLN N   CA   sing N N 19  
GLN N   H    sing N N 20  
GLN N   H2   sing N N 21  
GLN CA  C    sing N N 22  
GLN CA  CB   sing N N 23  
GLN CA  HA   sing N N 24  
GLN C   O    doub N N 25  
GLN C   OXT  sing N N 26  
GLN CB  CG   sing N N 27  
GLN CB  HB2  sing N N 28  
GLN CB  HB3  sing N N 29  
GLN CG  CD   sing N N 30  
GLN CG  HG2  sing N N 31  
GLN CG  HG3  sing N N 32  
GLN CD  OE1  doub N N 33  
GLN CD  NE2  sing N N 34  
GLN NE2 HE21 sing N N 35  
GLN NE2 HE22 sing N N 36  
GLN OXT HXT  sing N N 37  
GLU N   CA   sing N N 38  
GLU N   H    sing N N 39  
GLU N   H2   sing N N 40  
GLU CA  C    sing N N 41  
GLU CA  CB   sing N N 42  
GLU CA  HA   sing N N 43  
GLU C   O    doub N N 44  
GLU C   OXT  sing N N 45  
GLU CB  CG   sing N N 46  
GLU CB  HB2  sing N N 47  
GLU CB  HB3  sing N N 48  
GLU CG  CD   sing N N 49  
GLU CG  HG2  sing N N 50  
GLU CG  HG3  sing N N 51  
GLU CD  OE1  doub N N 52  
GLU CD  OE2  sing N N 53  
GLU OE2 HE2  sing N N 54  
GLU OXT HXT  sing N N 55  
GLY N   CA   sing N N 56  
GLY N   H    sing N N 57  
GLY N   H2   sing N N 58  
GLY CA  C    sing N N 59  
GLY CA  HA2  sing N N 60  
GLY CA  HA3  sing N N 61  
GLY C   O    doub N N 62  
GLY C   OXT  sing N N 63  
GLY OXT HXT  sing N N 64  
HIS N   CA   sing N N 65  
HIS N   H    sing N N 66  
HIS N   H2   sing N N 67  
HIS CA  C    sing N N 68  
HIS CA  CB   sing N N 69  
HIS CA  HA   sing N N 70  
HIS C   O    doub N N 71  
HIS C   OXT  sing N N 72  
HIS CB  CG   sing N N 73  
HIS CB  HB2  sing N N 74  
HIS CB  HB3  sing N N 75  
HIS CG  ND1  sing Y N 76  
HIS CG  CD2  doub Y N 77  
HIS ND1 CE1  doub Y N 78  
HIS ND1 HD1  sing N N 79  
HIS CD2 NE2  sing Y N 80  
HIS CD2 HD2  sing N N 81  
HIS CE1 NE2  sing Y N 82  
HIS CE1 HE1  sing N N 83  
HIS NE2 HE2  sing N N 84  
HIS OXT HXT  sing N N 85  
HOH O   H1   sing N N 86  
HOH O   H2   sing N N 87  
ILE N   CA   sing N N 88  
ILE N   H    sing N N 89  
ILE N   H2   sing N N 90  
ILE CA  C    sing N N 91  
ILE CA  CB   sing N N 92  
ILE CA  HA   sing N N 93  
ILE C   O    doub N N 94  
ILE C   OXT  sing N N 95  
ILE CB  CG1  sing N N 96  
ILE CB  CG2  sing N N 97  
ILE CB  HB   sing N N 98  
ILE CG1 CD1  sing N N 99  
ILE CG1 HG12 sing N N 100 
ILE CG1 HG13 sing N N 101 
ILE CG2 HG21 sing N N 102 
ILE CG2 HG22 sing N N 103 
ILE CG2 HG23 sing N N 104 
ILE CD1 HD11 sing N N 105 
ILE CD1 HD12 sing N N 106 
ILE CD1 HD13 sing N N 107 
ILE OXT HXT  sing N N 108 
LEU N   CA   sing N N 109 
LEU N   H    sing N N 110 
LEU N   H2   sing N N 111 
LEU CA  C    sing N N 112 
LEU CA  CB   sing N N 113 
LEU CA  HA   sing N N 114 
LEU C   O    doub N N 115 
LEU C   OXT  sing N N 116 
LEU CB  CG   sing N N 117 
LEU CB  HB2  sing N N 118 
LEU CB  HB3  sing N N 119 
LEU CG  CD1  sing N N 120 
LEU CG  CD2  sing N N 121 
LEU CG  HG   sing N N 122 
LEU CD1 HD11 sing N N 123 
LEU CD1 HD12 sing N N 124 
LEU CD1 HD13 sing N N 125 
LEU CD2 HD21 sing N N 126 
LEU CD2 HD22 sing N N 127 
LEU CD2 HD23 sing N N 128 
LEU OXT HXT  sing N N 129 
LYS N   CA   sing N N 130 
LYS N   H    sing N N 131 
LYS N   H2   sing N N 132 
LYS CA  C    sing N N 133 
LYS CA  CB   sing N N 134 
LYS CA  HA   sing N N 135 
LYS C   O    doub N N 136 
LYS C   OXT  sing N N 137 
LYS CB  CG   sing N N 138 
LYS CB  HB2  sing N N 139 
LYS CB  HB3  sing N N 140 
LYS CG  CD   sing N N 141 
LYS CG  HG2  sing N N 142 
LYS CG  HG3  sing N N 143 
LYS CD  CE   sing N N 144 
LYS CD  HD2  sing N N 145 
LYS CD  HD3  sing N N 146 
LYS CE  NZ   sing N N 147 
LYS CE  HE2  sing N N 148 
LYS CE  HE3  sing N N 149 
LYS NZ  HZ1  sing N N 150 
LYS NZ  HZ2  sing N N 151 
LYS NZ  HZ3  sing N N 152 
LYS OXT HXT  sing N N 153 
NH2 N   HN1  sing N N 154 
NH2 N   HN2  sing N N 155 
TRP N   CA   sing N N 156 
TRP N   H    sing N N 157 
TRP N   H2   sing N N 158 
TRP CA  C    sing N N 159 
TRP CA  CB   sing N N 160 
TRP CA  HA   sing N N 161 
TRP C   O    doub N N 162 
TRP C   OXT  sing N N 163 
TRP CB  CG   sing N N 164 
TRP CB  HB2  sing N N 165 
TRP CB  HB3  sing N N 166 
TRP CG  CD1  doub Y N 167 
TRP CG  CD2  sing Y N 168 
TRP CD1 NE1  sing Y N 169 
TRP CD1 HD1  sing N N 170 
TRP CD2 CE2  doub Y N 171 
TRP CD2 CE3  sing Y N 172 
TRP NE1 CE2  sing Y N 173 
TRP NE1 HE1  sing N N 174 
TRP CE2 CZ2  sing Y N 175 
TRP CE3 CZ3  doub Y N 176 
TRP CE3 HE3  sing N N 177 
TRP CZ2 CH2  doub Y N 178 
TRP CZ2 HZ2  sing N N 179 
TRP CZ3 CH2  sing Y N 180 
TRP CZ3 HZ3  sing N N 181 
TRP CH2 HH2  sing N N 182 
TRP OXT HXT  sing N N 183 
# 
_pdbx_audit_support.funding_organization   'Other government' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   3R4A 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8VHS 
_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]   0.037864 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.021993 
_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]   0.010209 
_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  
CU 
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  ? 12.994  -7.311  -29.199 1.00 21.14 ? 0   ACE A C   1 
HETATM 2    O  O   . ACE A 1 1  ? 12.431  -6.672  -28.391 1.00 16.64 ? 0   ACE A O   1 
HETATM 3    C  CH3 . ACE A 1 1  ? 12.388  -7.519  -30.575 1.00 25.88 ? 0   ACE A CH3 1 
ATOM   4    N  N   . GLY A 1 2  ? 14.135  -7.887  -29.028 1.00 13.63 ? 1   GLY A N   1 
ATOM   5    C  CA  . GLY A 1 2  ? 14.605  -7.995  -27.635 1.00 14.77 ? 1   GLY A CA  1 
ATOM   6    C  C   . GLY A 1 2  ? 14.918  -6.641  -27.017 1.00 13.34 ? 1   GLY A C   1 
ATOM   7    O  O   . GLY A 1 2  ? 14.756  -6.531  -25.803 1.00 14.40 ? 1   GLY A O   1 
ATOM   8    N  N   . LEU A 1 3  ? 15.365  -5.653  -27.798 1.00 13.87 ? 2   LEU A N   1 
ATOM   9    C  CA  . LEU A 1 3  ? 15.587  -4.345  -27.187 1.00 15.67 ? 2   LEU A CA  1 
ATOM   10   C  C   . LEU A 1 3  ? 14.282  -3.750  -26.679 1.00 15.33 ? 2   LEU A C   1 
ATOM   11   O  O   . LEU A 1 3  ? 14.241  -3.162  -25.590 1.00 16.69 ? 2   LEU A O   1 
ATOM   12   C  CB  . LEU A 1 3  ? 16.282  -3.390  -28.149 1.00 15.83 ? 2   LEU A CB  1 
ATOM   13   C  CG  . LEU A 1 3  ? 17.708  -3.788  -28.514 1.00 17.68 ? 2   LEU A CG  1 
ATOM   14   C  CD1 . LEU A 1 3  ? 18.263  -2.842  -29.579 1.00 18.74 ? 2   LEU A CD1 1 
ATOM   15   C  CD2 . LEU A 1 3  ? 18.590  -3.807  -27.277 1.00 20.04 ? 2   LEU A CD2 1 
ATOM   16   N  N   . ALA A 1 4  ? 13.199  -3.912  -27.441 1.00 15.34 ? 3   ALA A N   1 
ATOM   17   C  CA  . ALA A 1 4  ? 11.899  -3.434  -26.984 1.00 16.06 ? 3   ALA A CA  1 
ATOM   18   C  C   . ALA A 1 4  ? 11.396  -4.252  -25.806 1.00 16.18 ? 3   ALA A C   1 
ATOM   19   O  O   . ALA A 1 4  ? 10.772  -3.704  -24.893 1.00 16.50 ? 3   ALA A O   1 
ATOM   20   C  CB  . ALA A 1 4  ? 10.889  -3.485  -28.135 1.00 16.50 ? 3   ALA A CB  1 
ATOM   21   N  N   . ALA A 1 5  ? 11.653  -5.560  -25.803 1.00 14.91 ? 4   ALA A N   1 
ATOM   22   C  CA  . ALA A 1 5  ? 11.228  -6.402  -24.689 1.00 15.96 ? 4   ALA A CA  1 
ATOM   23   C  C   . ALA A 1 5  ? 11.884  -5.962  -23.393 1.00 15.50 ? 4   ALA A C   1 
ATOM   24   O  O   . ALA A 1 5  ? 11.218  -5.872  -22.348 1.00 16.06 ? 4   ALA A O   1 
ATOM   25   C  CB  . ALA A 1 5  ? 11.575  -7.864  -24.969 1.00 18.72 ? 4   ALA A CB  1 
ATOM   26   N  N   . ILE A 1 6  ? 13.177  -5.694  -23.440 1.00 14.54 ? 5   ILE A N   1 
ATOM   27   C  CA  . ILE A 1 6  ? 13.919  -5.231  -22.232 1.00 15.75 ? 5   ILE A CA  1 
ATOM   28   C  C   . ILE A 1 6  ? 13.348  -3.876  -21.773 1.00 16.80 ? 5   ILE A C   1 
ATOM   29   O  O   . ILE A 1 6  ? 13.177  -3.692  -20.567 1.00 15.99 ? 5   ILE A O   1 
ATOM   30   C  CB  . ILE A 1 6  ? 15.424  -5.150  -22.551 1.00 20.18 ? 5   ILE A CB  1 
ATOM   31   C  CG1 . ILE A 1 6  ? 16.050  -6.530  -22.628 1.00 22.10 ? 5   ILE A CG1 1 
ATOM   32   C  CG2 . ILE A 1 6  ? 16.157  -4.266  -21.543 1.00 20.80 ? 5   ILE A CG2 1 
ATOM   33   C  CD1 . ILE A 1 6  ? 17.447  -6.520  -23.220 1.00 29.80 ? 5   ILE A CD1 1 
ATOM   34   N  N   . LYS A 1 7  ? 13.078  -2.972  -22.716 1.00 16.31 ? 6   LYS A N   1 
ATOM   35   C  CA  . LYS A 1 7  ? 12.517  -1.678  -22.349 1.00 17.43 ? 6   LYS A CA  1 
ATOM   36   C  C   . LYS A 1 7  ? 11.170  -1.849  -21.655 1.00 17.42 ? 6   LYS A C   1 
ATOM   37   O  O   . LYS A 1 7  ? 10.875  -1.155  -20.671 1.00 16.81 ? 6   LYS A O   1 
ATOM   38   C  CB  . LYS A 1 7  ? 12.398  -0.804  -23.600 1.00 20.63 ? 6   LYS A CB  1 
ATOM   39   C  CG  . LYS A 1 7  ? 12.201  0.674   -23.318 1.00 29.26 ? 6   LYS A CG  1 
ATOM   40   C  CD  . LYS A 1 7  ? 12.547  1.508   -24.541 1.00 33.89 ? 6   LYS A CD  1 
ATOM   41   C  CE  . LYS A 1 7  ? 11.882  2.876   -24.499 1.00 36.35 ? 6   LYS A CE  1 
ATOM   42   N  NZ  . LYS A 1 7  ? 10.876  2.977   -23.407 1.00 36.84 ? 6   LYS A NZ  1 
ATOM   43   N  N   . GLN A 1 8  ? 10.356  -2.801  -22.120 1.00 15.30 ? 7   GLN A N   1 
ATOM   44   C  CA  . GLN A 1 8  ? 9.064   -3.076  -21.491 1.00 15.94 ? 7   GLN A CA  1 
ATOM   45   C  C   . GLN A 1 8  ? 9.245   -3.617  -20.081 1.00 14.51 ? 7   GLN A C   1 
ATOM   46   O  O   . GLN A 1 8  ? 8.507   -3.234  -19.162 1.00 15.46 ? 7   GLN A O   1 
ATOM   47   C  CB  . GLN A 1 8  ? 8.272   -4.091  -22.326 1.00 17.61 ? 7   GLN A CB  1 
ATOM   48   C  CG  . GLN A 1 8  ? 7.871   -3.610  -23.721 1.00 19.58 ? 7   GLN A CG  1 
ATOM   49   C  CD  . GLN A 1 8  ? 7.594   -4.754  -24.699 1.00 22.29 ? 7   GLN A CD  1 
ATOM   50   O  OE1 . GLN A 1 8  ? 7.670   -5.929  -24.343 1.00 21.88 ? 7   GLN A OE1 1 
ATOM   51   N  NE2 . GLN A 1 8  ? 7.246   -4.405  -25.938 1.00 23.75 ? 7   GLN A NE2 1 
ATOM   52   N  N   . GLU A 1 9  ? 10.211  -4.518  -19.890 1.00 13.42 ? 8   GLU A N   1 
ATOM   53   C  CA  . GLU A 1 9  ? 10.474  -5.042  -18.554 1.00 15.65 ? 8   GLU A CA  1 
ATOM   54   C  C   . GLU A 1 9  ? 10.964  -3.937  -17.633 1.00 15.24 ? 8   GLU A C   1 
ATOM   55   O  O   . GLU A 1 9  ? 10.578  -3.885  -16.456 1.00 15.58 ? 8   GLU A O   1 
ATOM   56   C  CB  . GLU A 1 9  ? 11.460  -6.206  -18.634 1.00 16.71 ? 8   GLU A CB  1 
ATOM   57   C  CG  . GLU A 1 9  ? 10.881  -7.383  -19.409 1.00 19.09 ? 8   GLU A CG  1 
ATOM   58   C  CD  . GLU A 1 9  ? 11.860  -8.513  -19.631 1.00 27.71 ? 8   GLU A CD  1 
ATOM   59   O  OE1 . GLU A 1 9  ? 13.088  -8.283  -19.559 1.00 26.94 ? 8   GLU A OE1 1 
ATOM   60   O  OE2 . GLU A 1 9  ? 11.392  -9.642  -19.899 1.00 33.48 ? 8   GLU A OE2 1 
ATOM   61   N  N   . HIS A 1 10 ? 11.780  -3.018  -18.153 1.00 14.85 ? 9   HIS A N   1 
ATOM   62   C  CA  . HIS A 1 10 ? 12.206  -1.890  -17.329 1.00 14.83 ? 9   HIS A CA  1 
ATOM   63   C  C   . HIS A 1 10 ? 11.027  -0.982  -16.992 1.00 16.26 ? 9   HIS A C   1 
ATOM   64   O  O   . HIS A 1 10 ? 10.950  -0.460  -15.873 1.00 14.69 ? 9   HIS A O   1 
ATOM   65   C  CB  . HIS A 1 10 ? 13.329  -1.118  -18.020 1.00 15.63 ? 9   HIS A CB  1 
ATOM   66   C  CG  . HIS A 1 10 ? 14.672  -1.778  -17.926 1.00 17.21 ? 9   HIS A CG  1 
ATOM   67   N  ND1 . HIS A 1 10 ? 15.758  -1.343  -18.655 1.00 18.62 ? 9   HIS A ND1 1 
ATOM   68   C  CD2 . HIS A 1 10 ? 15.113  -2.823  -17.184 1.00 18.30 ? 9   HIS A CD2 1 
ATOM   69   C  CE1 . HIS A 1 10 ? 16.808  -2.092  -18.370 1.00 22.18 ? 9   HIS A CE1 1 
ATOM   70   N  NE2 . HIS A 1 10 ? 16.445  -2.998  -17.481 1.00 19.88 ? 9   HIS A NE2 1 
ATOM   71   N  N   . ALA A 1 11 ? 10.081  -0.811  -17.924 1.00 16.02 ? 10  ALA A N   1 
ATOM   72   C  CA  . ALA A 1 11 ? 8.894   -0.005  -17.652 1.00 17.10 ? 10  ALA A CA  1 
ATOM   73   C  C   . ALA A 1 11 ? 8.039   -0.642  -16.566 1.00 16.88 ? 10  ALA A C   1 
ATOM   74   O  O   . ALA A 1 11 ? 7.448   0.062   -15.732 1.00 17.78 ? 10  ALA A O   1 
ATOM   75   C  CB  . ALA A 1 11 ? 8.082   0.181   -18.937 1.00 16.90 ? 10  ALA A CB  1 
ATOM   76   N  N   . ALA A 1 12 ? 7.981   -1.977  -16.537 1.00 16.26 ? 11  ALA A N   1 
ATOM   77   C  CA  . ALA A 1 12 ? 7.241   -2.658  -15.481 1.00 17.60 ? 11  ALA A CA  1 
ATOM   78   C  C   . ALA A 1 12 ? 7.903   -2.416  -14.132 1.00 14.89 ? 11  ALA A C   1 
ATOM   79   O  O   . ALA A 1 12 ? 7.219   -2.177  -13.123 1.00 15.83 ? 11  ALA A O   1 
ATOM   80   C  CB  . ALA A 1 12 ? 7.173   -4.155  -15.778 1.00 17.94 ? 11  ALA A CB  1 
ATOM   81   N  N   . ILE A 1 13 ? 9.234   -2.466  -14.096 1.00 14.21 ? 12  ILE A N   1 
ATOM   82   C  CA  . ILE A 1 13 ? 9.970   -2.152  -12.872 1.00 14.27 ? 12  ILE A CA  1 
ATOM   83   C  C   . ILE A 1 13 ? 9.713   -0.709  -12.444 1.00 14.09 ? 12  ILE A C   1 
ATOM   84   O  O   . ILE A 1 13 ? 9.532   -0.424  -11.247 1.00 14.53 ? 12  ILE A O   1 
ATOM   85   C  CB  . ILE A 1 13 ? 11.467  -2.470  -13.075 1.00 13.76 ? 12  ILE A CB  1 
ATOM   86   C  CG1 . ILE A 1 13 ? 11.685  -3.982  -13.024 1.00 15.01 ? 12  ILE A CG1 1 
ATOM   87   C  CG2 . ILE A 1 13 ? 12.347  -1.760  -12.035 1.00 14.73 ? 12  ILE A CG2 1 
ATOM   88   C  CD1 . ILE A 1 13 ? 12.969  -4.449  -13.709 1.00 16.57 ? 12  ILE A CD1 1 
ATOM   89   N  N   . LYS A 1 14 ? 9.688   0.223   -13.401 1.00 14.79 ? 13  LYS A N   1 
ATOM   90   C  CA  . LYS A 1 14 ? 9.385   1.621   -13.103 1.00 15.11 ? 13  LYS A CA  1 
ATOM   91   C  C   . LYS A 1 14 ? 8.024   1.760   -12.431 1.00 15.03 ? 13  LYS A C   1 
ATOM   92   O  O   . LYS A 1 14 ? 7.878   2.514   -11.459 1.00 15.15 ? 13  LYS A O   1 
ATOM   93   C  CB  . LYS A 1 14 ? 9.438   2.457   -14.391 1.00 15.17 ? 13  LYS A CB  1 
ATOM   94   C  CG  . LYS A 1 14 ? 9.433   3.973   -14.148 1.00 15.49 ? 13  LYS A CG  1 
ATOM   95   C  CD  . LYS A 1 14 ? 9.424   4.762   -15.451 1.00 16.84 ? 13  LYS A CD  1 
ATOM   96   C  CE  . LYS A 1 14 ? 9.601   6.247   -15.163 1.00 18.71 ? 13  LYS A CE  1 
ATOM   97   N  NZ  . LYS A 1 14 ? 9.615   7.040   -16.425 1.00 21.74 ? 13  LYS A NZ  1 
ATOM   98   N  N   A GLN A 1 15 ? 7.016   1.033   -12.918 0.39 14.89 ? 14  GLN A N   1 
ATOM   99   N  N   B GLN A 1 15 ? 7.018   1.028   -12.915 0.61 14.85 ? 14  GLN A N   1 
ATOM   100  C  CA  A GLN A 1 15 ? 5.692   1.124   -12.310 0.39 17.65 ? 14  GLN A CA  1 
ATOM   101  C  CA  B GLN A 1 15 ? 5.692   1.124   -12.312 0.61 17.61 ? 14  GLN A CA  1 
ATOM   102  C  C   A GLN A 1 15 ? 5.697   0.613   -10.873 0.39 18.18 ? 14  GLN A C   1 
ATOM   103  C  C   B GLN A 1 15 ? 5.697   0.615   -10.874 0.61 18.17 ? 14  GLN A C   1 
ATOM   104  O  O   A GLN A 1 15 ? 5.040   1.194   -9.999  0.39 18.17 ? 14  GLN A O   1 
ATOM   105  O  O   B GLN A 1 15 ? 5.043   1.201   -10.000 0.61 18.17 ? 14  GLN A O   1 
ATOM   106  C  CB  A GLN A 1 15 ? 4.659   0.377   -13.154 0.39 20.99 ? 14  GLN A CB  1 
ATOM   107  C  CB  B GLN A 1 15 ? 4.659   0.375   -13.155 0.61 20.98 ? 14  GLN A CB  1 
ATOM   108  C  CG  A GLN A 1 15 ? 3.216   0.604   -12.703 0.39 26.17 ? 14  GLN A CG  1 
ATOM   109  C  CG  B GLN A 1 15 ? 3.243   0.467   -12.586 0.61 26.23 ? 14  GLN A CG  1 
ATOM   110  C  CD  A GLN A 1 15 ? 2.946   2.038   -12.270 0.39 26.76 ? 14  GLN A CD  1 
ATOM   111  C  CD  B GLN A 1 15 ? 2.186   -0.099  -13.518 0.61 26.38 ? 14  GLN A CD  1 
ATOM   112  O  OE1 A GLN A 1 15 ? 3.252   2.989   -12.993 0.39 24.98 ? 14  GLN A OE1 1 
ATOM   113  O  OE1 B GLN A 1 15 ? 1.644   0.613   -14.363 0.61 34.16 ? 14  GLN A OE1 1 
ATOM   114  N  NE2 A GLN A 1 15 ? 2.377   2.198   -11.079 0.39 32.32 ? 14  GLN A NE2 1 
ATOM   115  N  NE2 B GLN A 1 15 ? 1.856   -1.369  -13.338 0.61 30.57 ? 14  GLN A NE2 1 
ATOM   116  N  N   . GLU A 1 16 ? 6.432   -0.471  -10.602 1.00 15.68 ? 15  GLU A N   1 
ATOM   117  C  CA  . GLU A 1 16 ? 6.509   -0.979  -9.235  1.00 17.78 ? 15  GLU A CA  1 
ATOM   118  C  C   . GLU A 1 16 ? 7.266   -0.015  -8.331  1.00 14.63 ? 15  GLU A C   1 
ATOM   119  O  O   . GLU A 1 16 ? 6.895   0.162   -7.160  1.00 15.30 ? 15  GLU A O   1 
ATOM   120  C  CB  . GLU A 1 16 ? 7.117   -2.382  -9.199  1.00 21.06 ? 15  GLU A CB  1 
ATOM   121  C  CG  . GLU A 1 16 ? 6.886   -3.152  -7.898  1.00 25.09 ? 15  GLU A CG  1 
ATOM   122  C  CD  . GLU A 1 16 ? 5.437   -3.599  -7.700  1.00 25.74 ? 15  GLU A CD  1 
ATOM   123  O  OE1 . GLU A 1 16 ? 4.496   -2.811  -7.954  1.00 28.74 ? 15  GLU A OE1 1 
ATOM   124  O  OE2 . GLU A 1 16 ? 5.239   -4.767  -7.311  1.00 32.50 ? 15  GLU A OE2 1 
ATOM   125  N  N   . LEU A 1 17 ? 8.320   0.628   -8.847  1.00 13.94 ? 16  LEU A N   1 
ATOM   126  C  CA  . LEU A 1 17 ? 8.995   1.671   -8.073  1.00 13.87 ? 16  LEU A CA  1 
ATOM   127  C  C   . LEU A 1 17 ? 8.037   2.815   -7.742  1.00 13.61 ? 16  LEU A C   1 
ATOM   128  O  O   . LEU A 1 17 ? 8.064   3.353   -6.624  1.00 13.81 ? 16  LEU A O   1 
ATOM   129  C  CB  . LEU A 1 17 ? 10.232  2.169   -8.830  1.00 14.36 ? 16  LEU A CB  1 
ATOM   130  C  CG  . LEU A 1 17 ? 11.366  1.159   -8.989  1.00 13.57 ? 16  LEU A CG  1 
ATOM   131  C  CD1 . LEU A 1 17 ? 12.357  1.633   -10.059 1.00 15.55 ? 16  LEU A CD1 1 
ATOM   132  C  CD2 . LEU A 1 17 ? 12.089  0.898   -7.671  1.00 15.42 ? 16  LEU A CD2 1 
ATOM   133  N  N   . ALA A 1 18 ? 7.154   3.165   -8.675  1.00 14.57 ? 17  ALA A N   1 
ATOM   134  C  CA  . ALA A 1 18 ? 6.163   4.208   -8.424  1.00 15.30 ? 17  ALA A CA  1 
ATOM   135  C  C   . ALA A 1 18 ? 5.192   3.785   -7.329  1.00 14.94 ? 17  ALA A C   1 
ATOM   136  O  O   . ALA A 1 18 ? 4.824   4.592   -6.456  1.00 14.79 ? 17  ALA A O   1 
ATOM   137  C  CB  . ALA A 1 18 ? 5.409   4.527   -9.721  1.00 15.38 ? 17  ALA A CB  1 
ATOM   138  N  N   . ALA A 1 19 ? 4.781   2.517   -7.343  1.00 14.60 ? 18  ALA A N   1 
ATOM   139  C  CA  . ALA A 1 19 ? 3.881   2.018   -6.307  1.00 16.31 ? 18  ALA A CA  1 
ATOM   140  C  C   . ALA A 1 19 ? 4.561   2.035   -4.945  1.00 13.62 ? 18  ALA A C   1 
ATOM   141  O  O   . ALA A 1 19 ? 3.931   2.360   -3.925  1.00 14.75 ? 18  ALA A O   1 
ATOM   142  C  CB  . ALA A 1 19 ? 3.420   0.603   -6.658  1.00 16.43 ? 18  ALA A CB  1 
ATOM   143  N  N   . ILE A 1 20 ? 5.847   1.685   -4.898  1.00 14.11 ? 19  ILE A N   1 
ATOM   144  C  CA  . ILE A 1 20 ? 6.590   1.762   -3.643  1.00 14.92 ? 19  ILE A CA  1 
ATOM   145  C  C   . ILE A 1 20 ? 6.642   3.199   -3.143  1.00 12.74 ? 19  ILE A C   1 
ATOM   146  O  O   . ILE A 1 20 ? 6.453   3.457   -1.947  1.00 13.07 ? 19  ILE A O   1 
ATOM   147  C  CB  . ILE A 1 20 ? 7.993   1.135   -3.800  1.00 13.80 ? 19  ILE A CB  1 
ATOM   148  C  CG1 . ILE A 1 20 ? 7.884   -0.389  -3.844  1.00 15.61 ? 19  ILE A CG1 1 
ATOM   149  C  CG2 . ILE A 1 20 ? 8.939   1.580   -2.672  1.00 13.85 ? 19  ILE A CG2 1 
ATOM   150  C  CD1 . ILE A 1 20 ? 9.123   -1.089  -4.377  1.00 18.48 ? 19  ILE A CD1 1 
ATOM   151  N  N   . LYS A 1 21 ? 6.890   4.160   -4.039  1.00 13.93 ? 20  LYS A N   1 
ATOM   152  C  CA  . LYS A 1 21 ? 6.917   5.566   -3.637  1.00 14.24 ? 20  LYS A CA  1 
ATOM   153  C  C   . LYS A 1 21 ? 5.584   5.996   -3.043  1.00 14.35 ? 20  LYS A C   1 
ATOM   154  O  O   . LYS A 1 21 ? 5.553   6.766   -2.075  1.00 14.39 ? 20  LYS A O   1 
ATOM   155  C  CB  . LYS A 1 21 ? 7.292   6.458   -4.822  1.00 15.08 ? 20  LYS A CB  1 
ATOM   156  C  CG  . LYS A 1 21 ? 7.564   7.923   -4.462  1.00 20.76 ? 20  LYS A CG  1 
ATOM   157  C  CD  . LYS A 1 21 ? 7.900   8.756   -5.703  1.00 23.84 ? 20  LYS A CD  1 
ATOM   158  C  CE  . LYS A 1 21 ? 8.222   10.210  -5.342  1.00 28.23 ? 20  LYS A CE  1 
ATOM   159  N  NZ  . LYS A 1 21 ? 9.625   10.425  -4.876  1.00 30.11 ? 20  LYS A NZ  1 
ATOM   160  N  N   . GLN A 1 22 ? 4.480   5.510   -3.596  1.00 13.87 ? 21  GLN A N   1 
ATOM   161  C  CA  . GLN A 1 22 ? 3.140   5.804   -3.025  1.00 14.79 ? 21  GLN A CA  1 
ATOM   162  C  C   . GLN A 1 22 ? 3.016   5.139   -1.639  1.00 13.78 ? 21  GLN A C   1 
ATOM   163  O  O   . GLN A 1 22 ? 2.535   5.843   -0.741  1.00 15.03 ? 21  GLN A O   1 
ATOM   164  C  CB  . GLN A 1 22 ? 2.016   5.267   -3.908  1.00 18.17 ? 21  GLN A CB  1 
ATOM   165  C  CG  . GLN A 1 22 ? 1.931   5.914   -5.285  1.00 23.92 ? 21  GLN A CG  1 
ATOM   166  C  CD  . GLN A 1 22 ? 0.873   5.292   -6.170  1.00 34.64 ? 21  GLN A CD  1 
ATOM   167  O  OE1 . GLN A 1 22 ? 0.664   4.074   -6.184  1.00 33.89 ? 21  GLN A OE1 1 
ATOM   168  N  NE2 . GLN A 1 22 ? 0.177   6.136   -6.913  1.00 40.62 ? 21  GLN A NE2 1 
ATOM   169  N  N   A GLU A 1 23 ? 3.501   4.033   -1.382  0.57 13.54 ? 22  GLU A N   1 
ATOM   170  N  N   B GLU A 1 23 ? 3.584   3.972   -1.395  0.43 13.57 ? 22  GLU A N   1 
ATOM   171  C  CA  A GLU A 1 23 ? 3.458   3.481   -0.028  0.57 14.79 ? 22  GLU A CA  1 
ATOM   172  C  CA  B GLU A 1 23 ? 3.476   3.425   -0.018  0.43 14.80 ? 22  GLU A CA  1 
ATOM   173  C  C   A GLU A 1 23 ? 4.320   4.294   0.931   0.57 13.31 ? 22  GLU A C   1 
ATOM   174  C  C   B GLU A 1 23 ? 4.342   4.263   0.944   0.43 13.33 ? 22  GLU A C   1 
ATOM   175  O  O   A GLU A 1 23 ? 3.932   4.517   2.086   0.57 13.25 ? 22  GLU A O   1 
ATOM   176  O  O   B GLU A 1 23 ? 3.926   4.464   2.094   0.43 13.31 ? 22  GLU A O   1 
ATOM   177  C  CB  A GLU A 1 23 ? 3.897   2.015   -0.015  0.57 17.51 ? 22  GLU A CB  1 
ATOM   178  C  CB  B GLU A 1 23 ? 3.868   1.951   0.022   0.43 17.60 ? 22  GLU A CB  1 
ATOM   179  C  CG  A GLU A 1 23 ? 3.046   1.082   -0.860  0.57 18.65 ? 22  GLU A CG  1 
ATOM   180  C  CG  B GLU A 1 23 ? 3.179   1.206   1.161   0.43 18.43 ? 22  GLU A CG  1 
ATOM   181  C  CD  A GLU A 1 23 ? 1.690   0.764   -0.248  0.57 23.17 ? 22  GLU A CD  1 
ATOM   182  C  CD  B GLU A 1 23 ? 1.664   1.282   1.151   0.43 21.87 ? 22  GLU A CD  1 
ATOM   183  O  OE1 A GLU A 1 23 ? 1.470   1.067   0.945   0.57 21.68 ? 22  GLU A OE1 1 
ATOM   184  O  OE1 B GLU A 1 23 ? 1.070   0.895   0.132   0.43 23.43 ? 22  GLU A OE1 1 
ATOM   185  O  OE2 A GLU A 1 23 ? 0.840   0.198   -0.969  0.57 28.20 ? 22  GLU A OE2 1 
ATOM   186  O  OE2 B GLU A 1 23 ? 1.079   1.725   2.160   0.43 23.97 ? 22  GLU A OE2 1 
ATOM   187  N  N   . LEU A 1 24 ? 5.499   4.733   0.483   1.00 13.11 ? 23  LEU A N   1 
ATOM   188  C  CA  . LEU A 1 24 ? 6.349   5.562   1.336   1.00 12.80 ? 23  LEU A CA  1 
ATOM   189  C  C   . LEU A 1 24 ? 5.636   6.852   1.719   1.00 13.03 ? 23  LEU A C   1 
ATOM   190  O  O   . LEU A 1 24 ? 5.694   7.278   2.881   1.00 12.68 ? 23  LEU A O   1 
ATOM   191  C  CB  . LEU A 1 24 ? 7.674   5.871   0.630   1.00 12.76 ? 23  LEU A CB  1 
ATOM   192  C  CG  . LEU A 1 24 ? 8.616   4.697   0.387   1.00 13.75 ? 23  LEU A CG  1 
ATOM   193  C  CD1 . LEU A 1 24 ? 9.787   5.134   -0.467  1.00 16.71 ? 23  LEU A CD1 1 
ATOM   194  C  CD2 . LEU A 1 24 ? 9.118   4.183   1.723   1.00 15.65 ? 23  LEU A CD2 1 
ATOM   195  N  N   . ALA A 1 25 ? 4.929   7.464   0.774   1.00 12.86 ? 24  ALA A N   1 
ATOM   196  C  CA  . ALA A 1 25 ? 4.187   8.681   1.071   1.00 12.74 ? 24  ALA A CA  1 
ATOM   197  C  C   . ALA A 1 25 ? 3.109   8.406   2.105   1.00 14.16 ? 24  ALA A C   1 
ATOM   198  O  O   . ALA A 1 25 ? 2.900   9.212   3.017   1.00 14.26 ? 24  ALA A O   1 
ATOM   199  C  CB  . ALA A 1 25 ? 3.584   9.244   -0.224  1.00 14.69 ? 24  ALA A CB  1 
ATOM   200  N  N   . ALA A 1 26 ? 2.449   7.251   2.008   1.00 12.53 ? 25  ALA A N   1 
ATOM   201  C  CA  . ALA A 1 26 ? 1.398   6.900   2.957   1.00 13.89 ? 25  ALA A CA  1 
ATOM   202  C  C   . ALA A 1 26 ? 1.981   6.679   4.345   1.00 12.50 ? 25  ALA A C   1 
ATOM   203  O  O   . ALA A 1 26 ? 1.368   7.063   5.354   1.00 13.17 ? 25  ALA A O   1 
ATOM   204  C  CB  . ALA A 1 26 ? 0.656   5.650   2.477   1.00 14.26 ? 25  ALA A CB  1 
ATOM   205  N  N   . ILE A 1 27 ? 3.164   6.070   4.423   1.00 11.75 ? 26  ILE A N   1 
ATOM   206  C  CA  . ILE A 1 27 ? 3.838   5.897   5.711   1.00 11.88 ? 26  ILE A CA  1 
ATOM   207  C  C   . ILE A 1 27 ? 4.189   7.249   6.315   1.00 11.81 ? 26  ILE A C   1 
ATOM   208  O  O   . ILE A 1 27 ? 3.991   7.477   7.515   1.00 12.33 ? 26  ILE A O   1 
ATOM   209  C  CB  . ILE A 1 27 ? 5.077   4.988   5.545   1.00 11.74 ? 26  ILE A CB  1 
ATOM   210  C  CG1 . ILE A 1 27 ? 4.620   3.543   5.295   1.00 13.13 ? 26  ILE A CG1 1 
ATOM   211  C  CG2 . ILE A 1 27 ? 6.015   5.094   6.754   1.00 12.93 ? 26  ILE A CG2 1 
ATOM   212  C  CD1 . ILE A 1 27 ? 5.726   2.598   4.850   1.00 14.27 ? 26  ILE A CD1 1 
ATOM   213  N  N   . LYS A 1 28 ? 4.716   8.167   5.502   1.00 12.92 ? 27  LYS A N   1 
ATOM   214  C  CA  . LYS A 1 28 ? 5.058   9.494   6.006   1.00 12.32 ? 27  LYS A CA  1 
ATOM   215  C  C   . LYS A 1 28 ? 3.820   10.242  6.479   1.00 12.85 ? 27  LYS A C   1 
ATOM   216  O  O   . LYS A 1 28 ? 3.890   10.970  7.481   1.00 12.35 ? 27  LYS A O   1 
ATOM   217  C  CB  . LYS A 1 28 ? 5.819   10.282  4.943   1.00 13.32 ? 27  LYS A CB  1 
ATOM   218  C  CG  . LYS A 1 28 ? 7.213   9.708   4.716   1.00 16.90 ? 27  LYS A CG  1 
ATOM   219  C  CD  . LYS A 1 28 ? 8.027   10.500  3.698   1.00 19.54 ? 27  LYS A CD  1 
ATOM   220  C  CE  . LYS A 1 28 ? 7.433   10.423  2.313   1.00 22.39 ? 27  LYS A CE  1 
ATOM   221  N  NZ  . LYS A 1 28 ? 8.320   11.139  1.351   1.00 26.58 ? 27  LYS A NZ  1 
ATOM   222  N  N   . GLN A 1 29 ? 2.678   10.025  5.823   1.00 13.08 ? 28  GLN A N   1 
ATOM   223  C  CA  . GLN A 1 29 ? 1.449   10.633  6.304   1.00 13.78 ? 28  GLN A CA  1 
ATOM   224  C  C   . GLN A 1 29 ? 1.100   10.127  7.697   1.00 12.95 ? 28  GLN A C   1 
ATOM   225  O  O   . GLN A 1 29 ? 0.756   10.926  8.582   1.00 14.54 ? 28  GLN A O   1 
ATOM   226  C  CB  . GLN A 1 29 ? 0.324   10.400  5.298   1.00 15.15 ? 28  GLN A CB  1 
ATOM   227  C  CG  . GLN A 1 29 ? 0.483   11.237  4.044   1.00 19.45 ? 28  GLN A CG  1 
ATOM   228  C  CD  . GLN A 1 29 ? -0.362  10.741  2.902   1.00 25.25 ? 28  GLN A CD  1 
ATOM   229  O  OE1 . GLN A 1 29 ? -1.249  9.906   3.083   1.00 29.15 ? 28  GLN A OE1 1 
ATOM   230  N  NE2 . GLN A 1 29 ? -0.091  11.253  1.706   1.00 20.70 ? 28  GLN A NE2 1 
ATOM   231  N  N   . GLU A 1 30 ? 1.188   8.812   7.917   1.00 12.24 ? 29  GLU A N   1 
ATOM   232  C  CA  . GLU A 1 30 ? 0.914   8.263   9.240   1.00 11.45 ? 29  GLU A CA  1 
ATOM   233  C  C   . GLU A 1 30 ? 1.896   8.800   10.267  1.00 12.28 ? 29  GLU A C   1 
ATOM   234  O  O   . GLU A 1 30 ? 1.503   9.104   11.395  1.00 13.07 ? 29  GLU A O   1 
ATOM   235  C  CB  . GLU A 1 30 ? 0.960   6.731   9.228   1.00 14.09 ? 29  GLU A CB  1 
ATOM   236  C  CG  . GLU A 1 30 ? -0.063  6.044   8.314   1.00 14.20 ? 29  GLU A CG  1 
ATOM   237  C  CD  . GLU A 1 30 ? -1.504  6.346   8.639   1.00 18.03 ? 29  GLU A CD  1 
ATOM   238  O  OE1 . GLU A 1 30 ? -1.811  6.702   9.792   1.00 19.37 ? 29  GLU A OE1 1 
ATOM   239  O  OE2 . GLU A 1 30 ? -2.351  6.212   7.725   1.00 22.01 ? 29  GLU A OE2 1 
ATOM   240  N  N   A LEU A 1 31 ? 3.184   8.899   9.919   0.91 12.53 ? 30  LEU A N   1 
ATOM   241  N  N   B LEU A 1 31 ? 3.159   8.948   9.871   0.09 12.52 ? 30  LEU A N   1 
ATOM   242  C  CA  A LEU A 1 31 ? 4.169   9.416   10.871  0.91 12.92 ? 30  LEU A CA  1 
ATOM   243  C  CA  B LEU A 1 31 ? 4.208   9.409   10.766  0.09 13.03 ? 30  LEU A CA  1 
ATOM   244  C  C   A LEU A 1 31 ? 3.839   10.842  11.282  0.91 13.61 ? 30  LEU A C   1 
ATOM   245  C  C   B LEU A 1 31 ? 3.955   10.843  11.216  0.09 13.53 ? 30  LEU A C   1 
ATOM   246  O  O   A LEU A 1 31 ? 3.979   11.199  12.463  0.91 13.16 ? 30  LEU A O   1 
ATOM   247  O  O   B LEU A 1 31 ? 4.267   11.202  12.359  0.09 13.55 ? 30  LEU A O   1 
ATOM   248  C  CB  A LEU A 1 31 ? 5.589   9.341   10.298  0.91 13.59 ? 30  LEU A CB  1 
ATOM   249  C  CB  B LEU A 1 31 ? 5.527   9.309   10.001  0.09 13.97 ? 30  LEU A CB  1 
ATOM   250  C  CG  A LEU A 1 31 ? 6.191   7.947   10.125  0.91 15.10 ? 30  LEU A CG  1 
ATOM   251  C  CG  B LEU A 1 31 ? 6.878   9.684   10.585  0.09 15.08 ? 30  LEU A CG  1 
ATOM   252  C  CD1 A LEU A 1 31 ? 7.517   8.056   9.361   0.91 16.57 ? 30  LEU A CD1 1 
ATOM   253  C  CD1 B LEU A 1 31 ? 7.168   8.744   11.714  0.09 16.74 ? 30  LEU A CD1 1 
ATOM   254  C  CD2 A LEU A 1 31 ? 6.396   7.290   11.474  0.91 16.87 ? 30  LEU A CD2 1 
ATOM   255  C  CD2 B LEU A 1 31 ? 7.943   9.568   9.512   0.09 14.80 ? 30  LEU A CD2 1 
ATOM   256  N  N   . ALA A 1 32 ? 3.377   11.666  10.336  1.00 13.61 ? 31  ALA A N   1 
ATOM   257  C  CA  . ALA A 1 32 ? 3.022   13.039  10.684  1.00 13.85 ? 31  ALA A CA  1 
ATOM   258  C  C   . ALA A 1 32 ? 1.892   13.064  11.703  1.00 14.44 ? 31  ALA A C   1 
ATOM   259  O  O   . ALA A 1 32 ? 1.951   13.821  12.675  1.00 15.05 ? 31  ALA A O   1 
ATOM   260  C  CB  . ALA A 1 32 ? 2.637   13.822  9.430   1.00 14.43 ? 31  ALA A CB  1 
ATOM   261  N  N   . ALA A 1 33 ? 0.876   12.216  11.526  1.00 13.43 ? 32  ALA A N   1 
ATOM   262  C  CA  . ALA A 1 33 ? -0.210  12.147  12.498  1.00 13.72 ? 32  ALA A CA  1 
ATOM   263  C  C   . ALA A 1 33 ? 0.303   11.666  13.845  1.00 13.12 ? 32  ALA A C   1 
ATOM   264  O  O   . ALA A 1 33 ? -0.075  12.205  14.899  1.00 13.94 ? 32  ALA A O   1 
ATOM   265  C  CB  . ALA A 1 33 ? -1.281  11.188  11.983  1.00 15.43 ? 32  ALA A CB  1 
ATOM   266  N  N   . ILE A 1 34 ? 1.166   10.650  13.835  1.00 12.24 ? 33  ILE A N   1 
ATOM   267  C  CA  . ILE A 1 34 ? 1.699   10.071  15.068  1.00 14.35 ? 33  ILE A CA  1 
ATOM   268  C  C   . ILE A 1 34 ? 2.516   11.097  15.833  1.00 13.81 ? 33  ILE A C   1 
ATOM   269  O  O   . ILE A 1 34 ? 2.494   11.126  17.073  1.00 13.76 ? 33  ILE A O   1 
ATOM   270  C  CB  . ILE A 1 34 ? 2.527   8.809   14.744  1.00 14.73 ? 33  ILE A CB  1 
ATOM   271  C  CG1 . ILE A 1 34 ? 1.596   7.649   14.369  1.00 15.78 ? 33  ILE A CG1 1 
ATOM   272  C  CG2 . ILE A 1 34 ? 3.474   8.434   15.897  1.00 17.03 ? 33  ILE A CG2 1 
ATOM   273  C  CD1 . ILE A 1 34 ? 2.278   6.532   13.586  1.00 16.49 ? 33  ILE A CD1 1 
ATOM   274  N  N   . LYS A 1 35 ? 3.240   11.961  15.114  1.00 13.22 ? 34  LYS A N   1 
ATOM   275  C  CA  . LYS A 1 35 ? 4.168   12.890  15.755  1.00 13.71 ? 34  LYS A CA  1 
ATOM   276  C  C   . LYS A 1 35 ? 3.443   13.850  16.685  1.00 14.93 ? 34  LYS A C   1 
ATOM   277  O  O   . LYS A 1 35 ? 4.010   14.273  17.701  1.00 17.01 ? 34  LYS A O   1 
ATOM   278  C  CB  . LYS A 1 35 ? 4.929   13.662  14.674  1.00 14.97 ? 34  LYS A CB  1 
ATOM   279  C  CG  . LYS A 1 35 ? 6.126   14.457  15.178  1.00 14.24 ? 34  LYS A CG  1 
ATOM   280  C  CD  . LYS A 1 35 ? 7.202   13.550  15.768  1.00 14.50 ? 34  LYS A CD  1 
ATOM   281  C  CE  . LYS A 1 35 ? 8.471   14.335  16.010  1.00 17.27 ? 34  LYS A CE  1 
ATOM   282  N  NZ  . LYS A 1 35 ? 9.594   13.423  16.367  1.00 18.19 ? 34  LYS A NZ  1 
ATOM   283  N  N   . TRP A 1 36 ? 2.181   14.168  16.394  1.00 14.54 ? 35  TRP A N   1 
ATOM   284  C  CA  . TRP A 1 36 ? 1.412   15.040  17.278  1.00 15.55 ? 35  TRP A CA  1 
ATOM   285  C  C   . TRP A 1 36 ? 1.154   14.397  18.634  1.00 17.25 ? 35  TRP A C   1 
ATOM   286  O  O   . TRP A 1 36 ? 0.947   15.108  19.627  1.00 19.46 ? 35  TRP A O   1 
ATOM   287  C  CB  . TRP A 1 36 ? 0.037   15.295  16.667  1.00 15.52 ? 35  TRP A CB  1 
ATOM   288  C  CG  . TRP A 1 36 ? -0.016  16.224  15.499  1.00 14.88 ? 35  TRP A CG  1 
ATOM   289  C  CD1 . TRP A 1 36 ? -0.102  15.882  14.179  1.00 16.31 ? 35  TRP A CD1 1 
ATOM   290  C  CD2 . TRP A 1 36 ? -0.058  17.658  15.544  1.00 15.00 ? 35  TRP A CD2 1 
ATOM   291  N  NE1 . TRP A 1 36 ? -0.166  17.011  13.404  1.00 16.45 ? 35  TRP A NE1 1 
ATOM   292  C  CE2 . TRP A 1 36 ? -0.145  18.115  14.216  1.00 16.49 ? 35  TRP A CE2 1 
ATOM   293  C  CE3 . TRP A 1 36 ? -0.023  18.598  16.581  1.00 15.31 ? 35  TRP A CE3 1 
ATOM   294  C  CZ2 . TRP A 1 36 ? -0.195  19.472  13.896  1.00 17.73 ? 35  TRP A CZ2 1 
ATOM   295  C  CZ3 . TRP A 1 36 ? -0.065  19.945  16.261  1.00 15.93 ? 35  TRP A CZ3 1 
ATOM   296  C  CH2 . TRP A 1 36 ? -0.158  20.368  14.931  1.00 17.96 ? 35  TRP A CH2 1 
ATOM   297  N  N   . GLU A 1 37 ? 1.121   13.068  18.694  1.00 17.11 ? 36  GLU A N   1 
ATOM   298  C  CA  . GLU A 1 37 ? 0.527   12.340  19.811  1.00 17.68 ? 36  GLU A CA  1 
ATOM   299  C  C   . GLU A 1 37 ? 1.545   11.768  20.794  1.00 24.07 ? 36  GLU A C   1 
ATOM   300  O  O   . GLU A 1 37 ? 1.162   11.000  21.682  1.00 24.82 ? 36  GLU A O   1 
ATOM   301  C  CB  . GLU A 1 37 ? -0.401  11.238  19.286  1.00 17.85 ? 36  GLU A CB  1 
ATOM   302  C  CG  . GLU A 1 37 ? -1.448  11.768  18.319  1.00 19.13 ? 36  GLU A CG  1 
ATOM   303  C  CD  . GLU A 1 37 ? -2.394  10.713  17.792  1.00 18.34 ? 36  GLU A CD  1 
ATOM   304  O  OE1 . GLU A 1 37 ? -2.238  9.510   18.091  1.00 15.74 ? 36  GLU A OE1 1 
ATOM   305  O  OE2 . GLU A 1 37 ? -3.312  11.103  17.049  1.00 19.89 ? 36  GLU A OE2 1 
ATOM   306  N  N   . GLY A 1 38 ? 2.817   12.128  20.677  1.00 29.45 ? 37  GLY A N   1 
ATOM   307  C  CA  . GLY A 1 38 ? 3.797   11.672  21.648  1.00 35.16 ? 37  GLY A CA  1 
ATOM   308  C  C   . GLY A 1 38 ? 4.090   12.655  22.769  1.00 40.31 ? 37  GLY A C   1 
ATOM   309  O  O   . GLY A 1 38 ? 3.262   13.505  23.103  1.00 42.07 ? 37  GLY A O   1 
HETATM 310  N  N   . NH2 A 1 39 ? 5.276   12.537  23.358  1.00 44.84 ? 38  NH2 A N   1 
HETATM 311  C  C   . ACE B 1 1  ? 21.952  -15.696 -21.807 1.00 34.58 ? 0   ACE B C   1 
HETATM 312  O  O   . ACE B 1 1  ? 20.763  -15.946 -22.046 1.00 24.84 ? 0   ACE B O   1 
HETATM 313  C  CH3 . ACE B 1 1  ? 22.774  -16.514 -20.852 1.00 30.58 ? 0   ACE B CH3 1 
ATOM   314  N  N   . GLY B 1 2  ? 22.620  -14.679 -22.350 1.00 27.79 ? 1   GLY B N   1 
ATOM   315  C  CA  . GLY B 1 2  ? 22.060  -13.751 -23.319 1.00 24.09 ? 1   GLY B CA  1 
ATOM   316  C  C   . GLY B 1 2  ? 20.759  -13.072 -22.942 1.00 24.07 ? 1   GLY B C   1 
ATOM   317  O  O   . GLY B 1 2  ? 20.551  -12.680 -21.792 1.00 22.97 ? 1   GLY B O   1 
ATOM   318  N  N   . LEU B 1 3  ? 19.879  -12.937 -23.936 1.00 23.68 ? 2   LEU B N   1 
ATOM   319  C  CA  . LEU B 1 3  ? 18.615  -12.235 -23.734 1.00 24.28 ? 2   LEU B CA  1 
ATOM   320  C  C   . LEU B 1 3  ? 17.729  -12.925 -22.701 1.00 22.68 ? 2   LEU B C   1 
ATOM   321  O  O   . LEU B 1 3  ? 17.120  -12.258 -21.853 1.00 22.87 ? 2   LEU B O   1 
ATOM   322  C  CB  . LEU B 1 3  ? 17.904  -12.057 -25.078 1.00 23.69 ? 2   LEU B CB  1 
ATOM   323  C  CG  . LEU B 1 3  ? 16.595  -11.277 -25.087 1.00 23.62 ? 2   LEU B CG  1 
ATOM   324  C  CD1 . LEU B 1 3  ? 16.836  -9.832  -24.718 1.00 24.97 ? 2   LEU B CD1 1 
ATOM   325  C  CD2 . LEU B 1 3  ? 15.981  -11.359 -26.482 1.00 29.23 ? 2   LEU B CD2 1 
ATOM   326  N  N   . ALA B 1 4  ? 17.666  -14.259 -22.729 1.00 22.00 ? 3   ALA B N   1 
ATOM   327  C  CA  . ALA B 1 4  ? 16.811  -14.984 -21.791 1.00 21.13 ? 3   ALA B CA  1 
ATOM   328  C  C   . ALA B 1 4  ? 17.245  -14.771 -20.345 1.00 20.32 ? 3   ALA B C   1 
ATOM   329  O  O   . ALA B 1 4  ? 16.399  -14.649 -19.451 1.00 22.02 ? 3   ALA B O   1 
ATOM   330  C  CB  . ALA B 1 4  ? 16.797  -16.477 -22.126 1.00 24.06 ? 3   ALA B CB  1 
ATOM   331  N  N   . ALA B 1 5  ? 18.558  -14.740 -20.094 1.00 20.89 ? 4   ALA B N   1 
ATOM   332  C  CA  . ALA B 1 5  ? 19.056  -14.562 -18.733 1.00 19.55 ? 4   ALA B CA  1 
ATOM   333  C  C   . ALA B 1 5  ? 18.750  -13.168 -18.204 1.00 18.97 ? 4   ALA B C   1 
ATOM   334  O  O   . ALA B 1 5  ? 18.483  -12.998 -17.005 1.00 19.11 ? 4   ALA B O   1 
ATOM   335  C  CB  . ALA B 1 5  ? 20.560  -14.820 -18.697 1.00 22.65 ? 4   ALA B CB  1 
ATOM   336  N  N   . ILE B 1 6  ? 18.783  -12.166 -19.079 1.00 18.02 ? 5   ILE B N   1 
ATOM   337  C  CA  . ILE B 1 6  ? 18.384  -10.816 -18.694 1.00 17.94 ? 5   ILE B CA  1 
ATOM   338  C  C   . ILE B 1 6  ? 16.921  -10.800 -18.291 1.00 19.92 ? 5   ILE B C   1 
ATOM   339  O  O   . ILE B 1 6  ? 16.550  -10.227 -17.263 1.00 17.89 ? 5   ILE B O   1 
ATOM   340  C  CB  . ILE B 1 6  ? 18.672  -9.835  -19.843 1.00 19.99 ? 5   ILE B CB  1 
ATOM   341  C  CG1 . ILE B 1 6  ? 20.179  -9.707  -20.069 1.00 20.63 ? 5   ILE B CG1 1 
ATOM   342  C  CG2 . ILE B 1 6  ? 18.014  -8.473  -19.593 1.00 23.52 ? 5   ILE B CG2 1 
ATOM   343  C  CD1 . ILE B 1 6  ? 20.524  -8.999  -21.358 1.00 24.17 ? 5   ILE B CD1 1 
ATOM   344  N  N   . LYS B 1 7  ? 16.067  -11.436 -19.097 1.00 19.84 ? 6   LYS B N   1 
ATOM   345  C  CA  . LYS B 1 7  ? 14.646  -11.489 -18.776 1.00 20.26 ? 6   LYS B CA  1 
ATOM   346  C  C   . LYS B 1 7  ? 14.411  -12.154 -17.424 1.00 19.24 ? 6   LYS B C   1 
ATOM   347  O  O   . LYS B 1 7  ? 13.567  -11.698 -16.639 1.00 20.44 ? 6   LYS B O   1 
ATOM   348  C  CB  . LYS B 1 7  ? 13.894  -12.211 -19.896 1.00 20.68 ? 6   LYS B CB  1 
ATOM   349  C  CG  . LYS B 1 7  ? 13.918  -11.451 -21.228 1.00 26.96 ? 6   LYS B CG  1 
ATOM   350  C  CD  . LYS B 1 7  ? 12.918  -12.035 -22.225 1.00 27.66 ? 6   LYS B CD  1 
ATOM   351  C  CE  . LYS B 1 7  ? 13.088  -11.435 -23.614 1.00 32.47 ? 6   LYS B CE  1 
ATOM   352  N  NZ  . LYS B 1 7  ? 11.968  -11.828 -24.518 1.00 41.95 ? 6   LYS B NZ  1 
ATOM   353  N  N   . GLN B 1 8  ? 15.177  -13.205 -17.111 1.00 18.88 ? 7   GLN B N   1 
ATOM   354  C  CA  . GLN B 1 8  ? 15.029  -13.871 -15.818 1.00 20.94 ? 7   GLN B CA  1 
ATOM   355  C  C   . GLN B 1 8  ? 15.421  -12.949 -14.668 1.00 18.14 ? 7   GLN B C   1 
ATOM   356  O  O   . GLN B 1 8  ? 14.742  -12.910 -13.632 1.00 18.70 ? 7   GLN B O   1 
ATOM   357  C  CB  . GLN B 1 8  ? 15.879  -15.146 -15.793 1.00 24.20 ? 7   GLN B CB  1 
ATOM   358  C  CG  . GLN B 1 8  ? 15.837  -15.917 -14.481 1.00 26.12 ? 7   GLN B CG  1 
ATOM   359  C  CD  . GLN B 1 8  ? 14.461  -16.473 -14.164 1.00 31.96 ? 7   GLN B CD  1 
ATOM   360  O  OE1 . GLN B 1 8  ? 13.772  -16.993 -15.043 1.00 38.16 ? 7   GLN B OE1 1 
ATOM   361  N  NE2 . GLN B 1 8  ? 14.055  -16.367 -12.901 1.00 35.10 ? 7   GLN B NE2 1 
ATOM   362  N  N   . GLU B 1 9  ? 16.519  -12.209 -14.825 1.00 18.09 ? 8   GLU B N   1 
ATOM   363  C  CA  . GLU B 1 9  ? 16.943  -11.283 -13.779 1.00 16.96 ? 8   GLU B CA  1 
ATOM   364  C  C   . GLU B 1 9  ? 15.902  -10.194 -13.568 1.00 16.96 ? 8   GLU B C   1 
ATOM   365  O  O   . GLU B 1 9  ? 15.640  -9.790  -12.429 1.00 16.93 ? 8   GLU B O   1 
ATOM   366  C  CB  . GLU B 1 9  ? 18.315  -10.694 -14.127 1.00 19.23 ? 8   GLU B CB  1 
ATOM   367  C  CG  . GLU B 1 9  ? 19.448  -11.720 -13.982 1.00 20.09 ? 8   GLU B CG  1 
ATOM   368  C  CD  . GLU B 1 9  ? 20.848  -11.161 -14.220 1.00 26.38 ? 8   GLU B CD  1 
ATOM   369  O  OE1 . GLU B 1 9  ? 20.996  -10.158 -14.950 1.00 24.81 ? 8   GLU B OE1 1 
ATOM   370  O  OE2 . GLU B 1 9  ? 21.815  -11.750 -13.678 1.00 29.81 ? 8   GLU B OE2 1 
ATOM   371  N  N   . HIS B 1 10 ? 15.270  -9.729  -14.645 1.00 17.59 ? 9   HIS B N   1 
ATOM   372  C  CA  . HIS B 1 10 ? 14.202  -8.745  -14.504 1.00 14.74 ? 9   HIS B CA  1 
ATOM   373  C  C   . HIS B 1 10 ? 13.024  -9.319  -13.733 1.00 18.53 ? 9   HIS B C   1 
ATOM   374  O  O   . HIS B 1 10 ? 12.469  -8.647  -12.859 1.00 18.40 ? 9   HIS B O   1 
ATOM   375  C  CB  . HIS B 1 10 ? 13.753  -8.257  -15.882 1.00 16.52 ? 9   HIS B CB  1 
ATOM   376  C  CG  . HIS B 1 10 ? 14.725  -7.324  -16.526 1.00 16.40 ? 9   HIS B CG  1 
ATOM   377  N  ND1 . HIS B 1 10 ? 14.729  -7.066  -17.881 1.00 18.92 ? 9   HIS B ND1 1 
ATOM   378  C  CD2 . HIS B 1 10 ? 15.736  -6.597  -16.002 1.00 17.53 ? 9   HIS B CD2 1 
ATOM   379  C  CE1 . HIS B 1 10 ? 15.697  -6.211  -18.159 1.00 18.70 ? 9   HIS B CE1 1 
ATOM   380  N  NE2 . HIS B 1 10 ? 16.327  -5.915  -17.035 1.00 17.82 ? 9   HIS B NE2 1 
ATOM   381  N  N   . ALA B 1 11 ? 12.634  -10.563 -14.030 1.00 16.92 ? 10  ALA B N   1 
ATOM   382  C  CA  . ALA B 1 11 ? 11.565  -11.213 -13.274 1.00 19.40 ? 10  ALA B CA  1 
ATOM   383  C  C   . ALA B 1 11 ? 11.902  -11.304 -11.788 1.00 18.81 ? 10  ALA B C   1 
ATOM   384  O  O   . ALA B 1 11 ? 11.028  -11.101 -10.932 1.00 20.96 ? 10  ALA B O   1 
ATOM   385  C  CB  . ALA B 1 11 ? 11.293  -12.605 -13.855 1.00 22.94 ? 10  ALA B CB  1 
ATOM   386  N  N   . ALA B 1 12 ? 13.162  -11.602 -11.459 1.00 17.63 ? 11  ALA B N   1 
ATOM   387  C  CA  . ALA B 1 12 ? 13.554  -11.691 -10.051 1.00 18.39 ? 11  ALA B CA  1 
ATOM   388  C  C   . ALA B 1 12 ? 13.518  -10.323 -9.384  1.00 16.81 ? 11  ALA B C   1 
ATOM   389  O  O   . ALA B 1 12 ? 13.123  -10.202 -8.214  1.00 17.53 ? 11  ALA B O   1 
ATOM   390  C  CB  . ALA B 1 12 ? 14.949  -12.304 -9.925  1.00 21.57 ? 11  ALA B CB  1 
ATOM   391  N  N   . ILE B 1 13 ? 13.942  -9.286  -10.104 1.00 17.39 ? 12  ILE B N   1 
ATOM   392  C  CA  . ILE B 1 13 ? 13.899  -7.935  -9.554  1.00 16.81 ? 12  ILE B CA  1 
ATOM   393  C  C   . ILE B 1 13 ? 12.458  -7.506  -9.314  1.00 18.21 ? 12  ILE B C   1 
ATOM   394  O  O   . ILE B 1 13 ? 12.119  -6.976  -8.248  1.00 15.98 ? 12  ILE B O   1 
ATOM   395  C  CB  . ILE B 1 13 ? 14.659  -6.958  -10.469 1.00 16.57 ? 12  ILE B CB  1 
ATOM   396  C  CG1 . ILE B 1 13 ? 16.159  -7.234  -10.397 1.00 16.32 ? 12  ILE B CG1 1 
ATOM   397  C  CG2 . ILE B 1 13 ? 14.334  -5.508  -10.105 1.00 16.85 ? 12  ILE B CG2 1 
ATOM   398  C  CD1 . ILE B 1 13 ? 16.940  -6.628  -11.561 1.00 18.74 ? 12  ILE B CD1 1 
ATOM   399  N  N   . LYS B 1 14 ? 11.581  -7.754  -10.286 1.00 17.66 ? 13  LYS B N   1 
ATOM   400  C  CA  . LYS B 1 14 ? 10.174  -7.400  -10.123 1.00 18.18 ? 13  LYS B CA  1 
ATOM   401  C  C   . LYS B 1 14 ? 9.568   -8.112  -8.922  1.00 19.99 ? 13  LYS B C   1 
ATOM   402  O  O   . LYS B 1 14 ? 8.833   -7.500  -8.132  1.00 19.39 ? 13  LYS B O   1 
ATOM   403  C  CB  . LYS B 1 14 ? 9.402   -7.756  -11.393 1.00 21.56 ? 13  LYS B CB  1 
ATOM   404  C  CG  . LYS B 1 14 ? 9.577   -6.761  -12.516 1.00 29.30 ? 13  LYS B CG  1 
ATOM   405  C  CD  . LYS B 1 14 ? 8.905   -7.231  -13.797 1.00 33.31 ? 13  LYS B CD  1 
ATOM   406  C  CE  . LYS B 1 14 ? 7.431   -7.545  -13.575 1.00 37.05 ? 13  LYS B CE  1 
ATOM   407  N  NZ  . LYS B 1 14 ? 6.686   -7.604  -14.869 1.00 46.49 ? 13  LYS B NZ  1 
ATOM   408  N  N   . GLN B 1 15 ? 9.879   -9.402  -8.754  1.00 18.64 ? 14  GLN B N   1 
ATOM   409  C  CA  . GLN B 1 15 ? 9.325   -10.170 -7.642  1.00 19.92 ? 14  GLN B CA  1 
ATOM   410  C  C   . GLN B 1 15 ? 9.771   -9.580  -6.319  1.00 19.36 ? 14  GLN B C   1 
ATOM   411  O  O   . GLN B 1 15 ? 8.996   -9.501  -5.354  1.00 19.99 ? 14  GLN B O   1 
ATOM   412  C  CB  . GLN B 1 15 ? 9.801   -11.617 -7.757  1.00 23.56 ? 14  GLN B CB  1 
ATOM   413  C  CG  . GLN B 1 15 ? 9.249   -12.558 -6.709  1.00 26.14 ? 14  GLN B CG  1 
ATOM   414  C  CD  . GLN B 1 15 ? 9.321   -14.004 -7.157  1.00 37.77 ? 14  GLN B CD  1 
ATOM   415  O  OE1 . GLN B 1 15 ? 9.780   -14.303 -8.257  1.00 48.35 ? 14  GLN B OE1 1 
ATOM   416  N  NE2 . GLN B 1 15 ? 8.901   -14.915 -6.286  1.00 41.63 ? 14  GLN B NE2 1 
ATOM   417  N  N   . GLU B 1 16 ? 11.052  -9.227  -6.215  1.00 18.05 ? 15  GLU B N   1 
ATOM   418  C  CA  . GLU B 1 16 ? 11.579  -8.605  -4.967  1.00 19.11 ? 15  GLU B CA  1 
ATOM   419  C  C   . GLU B 1 16 ? 10.940  -7.230  -4.695  1.00 15.93 ? 15  GLU B C   1 
ATOM   420  O  O   . GLU B 1 16 ? 10.644  -6.941  -3.542  1.00 16.77 ? 15  GLU B O   1 
ATOM   421  C  CB  . GLU B 1 16 ? 13.094  -8.465  -5.043  1.00 22.51 ? 15  GLU B CB  1 
ATOM   422  C  CG  . GLU B 1 16 ? 13.734  -8.337  -3.667  1.00 34.86 ? 15  GLU B CG  1 
ATOM   423  C  CD  . GLU B 1 16 ? 13.714  -9.671  -2.948  1.00 38.60 ? 15  GLU B CD  1 
ATOM   424  O  OE1 . GLU B 1 16 ? 13.855  -9.673  -1.720  1.00 44.35 ? 15  GLU B OE1 1 
ATOM   425  O  OE2 . GLU B 1 16 ? 13.567  -10.713 -3.612  1.00 48.29 ? 15  GLU B OE2 1 
ATOM   426  N  N   . LEU B 1 17 ? 10.724  -6.427  -5.728  1.00 16.60 ? 16  LEU B N   1 
ATOM   427  C  CA  . LEU B 1 17 ? 10.051  -5.153  -5.511  1.00 15.41 ? 16  LEU B CA  1 
ATOM   428  C  C   . LEU B 1 17 ? 8.619   -5.369  -5.043  1.00 17.69 ? 16  LEU B C   1 
ATOM   429  O  O   . LEU B 1 17 ? 8.119   -4.627  -4.190  1.00 16.15 ? 16  LEU B O   1 
ATOM   430  C  CB  . LEU B 1 17 ? 10.074  -4.346  -6.808  1.00 16.78 ? 16  LEU B CB  1 
ATOM   431  C  CG  . LEU B 1 17 ? 11.458  -3.853  -7.227  1.00 16.57 ? 16  LEU B CG  1 
ATOM   432  C  CD1 . LEU B 1 17 ? 11.415  -3.298  -8.644  1.00 20.65 ? 16  LEU B CD1 1 
ATOM   433  C  CD2 . LEU B 1 17 ? 11.965  -2.799  -6.259  1.00 19.99 ? 16  LEU B CD2 1 
ATOM   434  N  N   . ALA B 1 18 ? 7.943   -6.387  -5.580  1.00 17.54 ? 17  ALA B N   1 
ATOM   435  C  CA  . ALA B 1 18 ? 6.598   -6.707  -5.110  1.00 18.49 ? 17  ALA B CA  1 
ATOM   436  C  C   . ALA B 1 18 ? 6.606   -7.060  -3.629  1.00 17.54 ? 17  ALA B C   1 
ATOM   437  O  O   . ALA B 1 18 ? 5.705   -6.655  -2.877  1.00 19.67 ? 17  ALA B O   1 
ATOM   438  C  CB  . ALA B 1 18 ? 6.023   -7.864  -5.931  1.00 22.52 ? 17  ALA B CB  1 
ATOM   439  N  N   . ALA B 1 19 ? 7.621   -7.802  -3.189  1.00 18.67 ? 18  ALA B N   1 
ATOM   440  C  CA  . ALA B 1 19 ? 7.709   -8.176  -1.780  1.00 17.48 ? 18  ALA B CA  1 
ATOM   441  C  C   . ALA B 1 19 ? 7.997   -6.961  -0.905  1.00 18.19 ? 18  ALA B C   1 
ATOM   442  O  O   . ALA B 1 19 ? 7.436   -6.833  0.192   1.00 18.95 ? 18  ALA B O   1 
ATOM   443  C  CB  . ALA B 1 19 ? 8.780   -9.250  -1.592  1.00 22.92 ? 18  ALA B CB  1 
ATOM   444  N  N   . ILE B 1 20 ? 8.866   -6.059  -1.371  1.00 16.66 ? 19  ILE B N   1 
ATOM   445  C  CA  . ILE B 1 20 ? 9.137   -4.829  -0.626  1.00 16.02 ? 19  ILE B CA  1 
ATOM   446  C  C   . ILE B 1 20 ? 7.867   -4.001  -0.504  1.00 16.32 ? 19  ILE B C   1 
ATOM   447  O  O   . ILE B 1 20 ? 7.549   -3.474  0.572   1.00 15.33 ? 19  ILE B O   1 
ATOM   448  C  CB  . ILE B 1 20 ? 10.277  -4.050  -1.306  1.00 16.35 ? 19  ILE B CB  1 
ATOM   449  C  CG1 . ILE B 1 20 ? 11.606  -4.741  -1.007  1.00 16.37 ? 19  ILE B CG1 1 
ATOM   450  C  CG2 . ILE B 1 20 ? 10.272  -2.579  -0.874  1.00 16.67 ? 19  ILE B CG2 1 
ATOM   451  C  CD1 . ILE B 1 20 ? 12.714  -4.427  -2.004  1.00 18.88 ? 19  ILE B CD1 1 
ATOM   452  N  N   . LYS B 1 21 ? 7.097   -3.910  -1.585  1.00 15.78 ? 20  LYS B N   1 
ATOM   453  C  CA  . LYS B 1 21 ? 5.853   -3.153  -1.542  1.00 15.89 ? 20  LYS B CA  1 
ATOM   454  C  C   . LYS B 1 21 ? 4.888   -3.739  -0.520  1.00 17.65 ? 20  LYS B C   1 
ATOM   455  O  O   . LYS B 1 21 ? 4.251   -2.998  0.245   1.00 16.72 ? 20  LYS B O   1 
ATOM   456  C  CB  . LYS B 1 21 ? 5.212   -3.129  -2.931  1.00 18.00 ? 20  LYS B CB  1 
ATOM   457  C  CG  . LYS B 1 21 ? 4.095   -2.102  -3.036  1.00 19.37 ? 20  LYS B CG  1 
ATOM   458  C  CD  . LYS B 1 21 ? 3.537   -1.989  -4.439  1.00 24.35 ? 20  LYS B CD  1 
ATOM   459  C  CE  . LYS B 1 21 ? 2.805   -3.239  -4.855  1.00 27.22 ? 20  LYS B CE  1 
ATOM   460  N  NZ  . LYS B 1 21 ? 2.068   -3.012  -6.135  1.00 28.78 ? 20  LYS B NZ  1 
ATOM   461  N  N   . GLN B 1 22 ? 4.774   -5.071  -0.483  1.00 18.17 ? 21  GLN B N   1 
ATOM   462  C  CA  . GLN B 1 22 ? 3.874   -5.712  0.475   1.00 18.43 ? 21  GLN B CA  1 
ATOM   463  C  C   . GLN B 1 22 ? 4.322   -5.439  1.904   1.00 17.88 ? 21  GLN B C   1 
ATOM   464  O  O   . GLN B 1 22 ? 3.490   -5.228  2.799   1.00 17.96 ? 21  GLN B O   1 
ATOM   465  C  CB  . GLN B 1 22 ? 3.826   -7.218  0.205   1.00 24.65 ? 21  GLN B CB  1 
ATOM   466  C  CG  . GLN B 1 22 ? 2.972   -8.011  1.191   1.00 32.09 ? 21  GLN B CG  1 
ATOM   467  C  CD  . GLN B 1 22 ? 3.332   -9.489  1.223   1.00 42.56 ? 21  GLN B CD  1 
ATOM   468  O  OE1 . GLN B 1 22 ? 3.615   -10.097 0.188   1.00 51.06 ? 21  GLN B OE1 1 
ATOM   469  N  NE2 . GLN B 1 22 ? 3.316   -10.076 2.415   1.00 51.62 ? 21  GLN B NE2 1 
ATOM   470  N  N   . GLU B 1 23 ? 5.633   -5.426  2.138   1.00 15.94 ? 22  GLU B N   1 
ATOM   471  C  CA  . GLU B 1 23 ? 6.122   -5.176  3.484   1.00 17.62 ? 22  GLU B CA  1 
ATOM   472  C  C   . GLU B 1 23 ? 5.823   -3.745  3.905   1.00 15.34 ? 22  GLU B C   1 
ATOM   473  O  O   . GLU B 1 23 ? 5.470   -3.494  5.064   1.00 16.51 ? 22  GLU B O   1 
ATOM   474  C  CB  . GLU B 1 23 ? 7.623   -5.454  3.571   1.00 19.87 ? 22  GLU B CB  1 
ATOM   475  C  CG  . GLU B 1 23 ? 8.054   -5.446  4.999   1.00 26.51 ? 22  GLU B CG  1 
ATOM   476  C  CD  . GLU B 1 23 ? 7.445   -6.632  5.714   1.00 37.63 ? 22  GLU B CD  1 
ATOM   477  O  OE1 . GLU B 1 23 ? 7.512   -7.755  5.169   1.00 44.51 ? 22  GLU B OE1 1 
ATOM   478  O  OE2 . GLU B 1 23 ? 6.783   -6.421  6.752   1.00 43.56 ? 22  GLU B OE2 1 
ATOM   479  N  N   . LEU B 1 24 ? 5.962   -2.793  2.979   1.00 14.66 ? 23  LEU B N   1 
ATOM   480  C  CA  . LEU B 1 24 ? 5.640   -1.400  3.283   1.00 14.17 ? 23  LEU B CA  1 
ATOM   481  C  C   . LEU B 1 24 ? 4.162   -1.223  3.598   1.00 15.19 ? 23  LEU B C   1 
ATOM   482  O  O   . LEU B 1 24 ? 3.807   -0.496  4.536   1.00 15.54 ? 23  LEU B O   1 
ATOM   483  C  CB  . LEU B 1 24 ? 6.055   -0.496  2.121   1.00 14.67 ? 23  LEU B CB  1 
ATOM   484  C  CG  . LEU B 1 24 ? 7.565   -0.373  1.978   1.00 15.52 ? 23  LEU B CG  1 
ATOM   485  C  CD1 . LEU B 1 24 ? 7.890   0.344   0.691   1.00 18.73 ? 23  LEU B CD1 1 
ATOM   486  C  CD2 . LEU B 1 24 ? 8.118   0.385   3.168   1.00 18.41 ? 23  LEU B CD2 1 
ATOM   487  N  N   . ALA B 1 25 ? 3.283   -1.884  2.843   1.00 15.13 ? 24  ALA B N   1 
ATOM   488  C  CA  . ALA B 1 25 ? 1.859   -1.826  3.155   1.00 15.22 ? 24  ALA B CA  1 
ATOM   489  C  C   . ALA B 1 25 ? 1.580   -2.357  4.556   1.00 16.12 ? 24  ALA B C   1 
ATOM   490  O  O   . ALA B 1 25 ? 0.755   -1.794  5.288   1.00 17.89 ? 24  ALA B O   1 
ATOM   491  C  CB  . ALA B 1 25 ? 1.075   -2.617  2.108   1.00 17.46 ? 24  ALA B CB  1 
ATOM   492  N  N   . ALA B 1 26 ? 2.264   -3.433  4.957   1.00 15.52 ? 25  ALA B N   1 
ATOM   493  C  CA  . ALA B 1 26 ? 2.064   -3.970  6.300   1.00 16.04 ? 25  ALA B CA  1 
ATOM   494  C  C   . ALA B 1 26 ? 2.550   -2.992  7.365   1.00 16.41 ? 25  ALA B C   1 
ATOM   495  O  O   . ALA B 1 26 ? 1.885   -2.811  8.394   1.00 17.62 ? 25  ALA B O   1 
ATOM   496  C  CB  . ALA B 1 26 ? 2.760   -5.325  6.443   1.00 19.85 ? 25  ALA B CB  1 
ATOM   497  N  N   . ILE B 1 27 ? 3.707   -2.358  7.141   1.00 15.14 ? 26  ILE B N   1 
ATOM   498  C  CA  . ILE B 1 27 ? 4.208   -1.336  8.063   1.00 14.02 ? 26  ILE B CA  1 
ATOM   499  C  C   . ILE B 1 27 ? 3.224   -0.178  8.183   1.00 13.84 ? 26  ILE B C   1 
ATOM   500  O  O   . ILE B 1 27 ? 2.959   0.315   9.290   1.00 14.20 ? 26  ILE B O   1 
ATOM   501  C  CB  . ILE B 1 27 ? 5.617   -0.870  7.639   1.00 14.85 ? 26  ILE B CB  1 
ATOM   502  C  CG1 . ILE B 1 27 ? 6.637   -1.986  7.890   1.00 16.41 ? 26  ILE B CG1 1 
ATOM   503  C  CG2 . ILE B 1 27 ? 5.996   0.449   8.334   1.00 16.10 ? 26  ILE B CG2 1 
ATOM   504  C  CD1 . ILE B 1 27 ? 7.978   -1.791  7.188   1.00 18.86 ? 26  ILE B CD1 1 
ATOM   505  N  N   . LYS B 1 28 ? 2.658   0.279   7.076   1.00 14.63 ? 27  LYS B N   1 
ATOM   506  C  CA  . LYS B 1 28 ? 1.689   1.400   7.091   1.00 13.40 ? 27  LYS B CA  1 
ATOM   507  C  C   . LYS B 1 28 ? 0.476   1.033   7.957   1.00 17.56 ? 27  LYS B C   1 
ATOM   508  O  O   . LYS B 1 28 ? 0.071   1.861   8.766   1.00 14.65 ? 27  LYS B O   1 
ATOM   509  C  CB  . LYS B 1 28 ? 1.284   1.627   5.634   1.00 30.00 ? 27  LYS B CB  1 
ATOM   510  C  CG  . LYS B 1 28 ? 0.530   2.930   5.428   1.00 30.00 ? 27  LYS B CG  1 
ATOM   511  N  N   . GLN B 1 29 ? -0.030  -0.188  7.780   1.00 16.09 ? 28  GLN B N   1 
ATOM   512  C  CA  . GLN B 1 29 ? -1.215  -0.624  8.560   1.00 16.49 ? 28  GLN B CA  1 
ATOM   513  C  C   . GLN B 1 29 ? -0.850  -0.672  10.059  1.00 16.52 ? 28  GLN B C   1 
ATOM   514  O  O   . GLN B 1 29 ? -1.655  -0.222  10.869  1.00 17.50 ? 28  GLN B O   1 
ATOM   515  C  CB  . GLN B 1 29 ? -1.685  -1.956  7.990   1.00 30.00 ? 28  GLN B CB  1 
ATOM   516  C  CG  . GLN B 1 29 ? -2.294  -1.839  6.600   1.00 30.00 ? 28  GLN B CG  1 
ATOM   517  C  CD  . GLN B 1 29 ? -3.688  -1.254  6.597   1.00 30.00 ? 28  GLN B CD  1 
ATOM   518  O  OE1 . GLN B 1 29 ? -4.154  -0.664  7.576   1.00 30.00 ? 28  GLN B OE1 1 
ATOM   519  N  NE2 . GLN B 1 29 ? -4.376  -1.419  5.479   1.00 30.00 ? 28  GLN B NE2 1 
ATOM   520  N  N   . GLU B 1 30 ? 0.353   -1.153  10.381  1.00 15.83 ? 29  GLU B N   1 
ATOM   521  C  CA  . GLU B 1 30 ? 0.739   -1.219  11.790  1.00 14.88 ? 29  GLU B CA  1 
ATOM   522  C  C   . GLU B 1 30 ? 0.869   0.177   12.399  1.00 14.69 ? 29  GLU B C   1 
ATOM   523  O  O   . GLU B 1 30 ? 0.466   0.405   13.549  1.00 15.85 ? 29  GLU B O   1 
ATOM   524  C  CB  . GLU B 1 30 ? 2.042   -2.009  11.924  1.00 16.84 ? 29  GLU B CB  1 
ATOM   525  C  CG  . GLU B 1 30 ? 2.299   -2.487  13.342  1.00 21.08 ? 29  GLU B CG  1 
ATOM   526  C  CD  . GLU B 1 30 ? 3.519   -3.382  13.469  1.00 23.38 ? 29  GLU B CD  1 
ATOM   527  O  OE1 . GLU B 1 30 ? 4.118   -3.748  12.436  1.00 28.05 ? 29  GLU B OE1 1 
ATOM   528  O  OE2 . GLU B 1 30 ? 3.873   -3.722  14.615  1.00 27.37 ? 29  GLU B OE2 1 
ATOM   529  N  N   . LEU B 1 31 ? 1.444   1.119   11.651  1.00 15.16 ? 30  LEU B N   1 
ATOM   530  C  CA  . LEU B 1 31 ? 1.557   2.504   12.101  1.00 14.01 ? 30  LEU B CA  1 
ATOM   531  C  C   . LEU B 1 31 ? 0.189   3.156   12.265  1.00 14.17 ? 30  LEU B C   1 
ATOM   532  O  O   . LEU B 1 31 ? -0.073  3.832   13.272  1.00 14.27 ? 30  LEU B O   1 
ATOM   533  C  CB  . LEU B 1 31 ? 2.387   3.302   11.089  1.00 15.03 ? 30  LEU B CB  1 
ATOM   534  C  CG  . LEU B 1 31 ? 3.881   3.031   11.079  1.00 15.45 ? 30  LEU B CG  1 
ATOM   535  C  CD1 . LEU B 1 31 ? 4.471   3.699   9.850   1.00 17.69 ? 30  LEU B CD1 1 
ATOM   536  C  CD2 . LEU B 1 31 ? 4.514   3.573   12.358  1.00 18.08 ? 30  LEU B CD2 1 
ATOM   537  N  N   . ALA B 1 32 ? -0.699  2.976   11.283  1.00 14.74 ? 31  ALA B N   1 
ATOM   538  C  CA  . ALA B 1 32 ? -2.023  3.575   11.389  1.00 14.92 ? 31  ALA B CA  1 
ATOM   539  C  C   . ALA B 1 32 ? -2.722  3.125   12.662  1.00 16.03 ? 31  ALA B C   1 
ATOM   540  O  O   . ALA B 1 32 ? -3.432  3.915   13.294  1.00 17.48 ? 31  ALA B O   1 
ATOM   541  C  CB  . ALA B 1 32 ? -2.868  3.225   10.158  1.00 16.84 ? 31  ALA B CB  1 
ATOM   542  N  N   . ALA B 1 33 ? -2.485  1.882   13.082  1.00 14.74 ? 32  ALA B N   1 
ATOM   543  C  CA  . ALA B 1 33 ? -3.217  1.314   14.207  1.00 14.77 ? 32  ALA B CA  1 
ATOM   544  C  C   . ALA B 1 33 ? -2.785  1.873   15.561  1.00 17.85 ? 32  ALA B C   1 
ATOM   545  O  O   . ALA B 1 33 ? -3.529  1.703   16.532  1.00 18.20 ? 32  ALA B O   1 
ATOM   546  C  CB  . ALA B 1 33 ? -3.137  -0.215  14.180  1.00 17.98 ? 32  ALA B CB  1 
ATOM   547  N  N   . ILE B 1 34 ? -1.622  2.536   15.664  1.00 14.99 ? 33  ILE B N   1 
ATOM   548  C  CA  . ILE B 1 34 ? -1.191  3.097   16.955  1.00 15.15 ? 33  ILE B CA  1 
ATOM   549  C  C   . ILE B 1 34 ? -1.709  4.508   17.194  1.00 15.26 ? 33  ILE B C   1 
ATOM   550  O  O   . ILE B 1 34 ? -1.503  5.054   18.291  1.00 15.68 ? 33  ILE B O   1 
ATOM   551  C  CB  . ILE B 1 34 ? 0.332   3.032   17.214  1.00 15.46 ? 33  ILE B CB  1 
ATOM   552  C  CG1 . ILE B 1 34 ? 1.103   3.992   16.293  1.00 15.83 ? 33  ILE B CG1 1 
ATOM   553  C  CG2 . ILE B 1 34 ? 0.852   1.601   17.088  1.00 18.86 ? 33  ILE B CG2 1 
ATOM   554  C  CD1 . ILE B 1 34 ? 2.559   4.172   16.703  1.00 18.17 ? 33  ILE B CD1 1 
ATOM   555  N  N   . LYS B 1 35 ? -2.371  5.113   16.214  1.00 15.12 ? 34  LYS B N   1 
ATOM   556  C  CA  . LYS B 1 35 ? -2.925  6.450   16.365  1.00 16.25 ? 34  LYS B CA  1 
ATOM   557  C  C   . LYS B 1 35 ? -4.125  6.432   17.303  1.00 15.03 ? 34  LYS B C   1 
ATOM   558  O  O   . LYS B 1 35 ? -4.899  5.473   17.336  1.00 16.32 ? 34  LYS B O   1 
ATOM   559  C  CB  . LYS B 1 35 ? -3.407  6.969   15.005  1.00 19.11 ? 34  LYS B CB  1 
ATOM   560  C  CG  . LYS B 1 35 ? -2.312  7.256   14.001  1.00 20.54 ? 34  LYS B CG  1 
ATOM   561  C  CD  . LYS B 1 35 ? -2.856  8.057   12.834  1.00 21.88 ? 34  LYS B CD  1 
ATOM   562  C  CE  . LYS B 1 35 ? -4.005  7.350   12.143  1.00 21.83 ? 34  LYS B CE  1 
ATOM   563  N  NZ  . LYS B 1 35 ? -4.143  7.856   10.747  1.00 24.85 ? 34  LYS B NZ  1 
ATOM   564  N  N   . TRP B 1 36 ? -4.290  7.537   18.038  1.00 13.94 ? 35  TRP B N   1 
ATOM   565  C  CA  . TRP B 1 36 ? -5.422  7.697   18.949  1.00 16.56 ? 35  TRP B CA  1 
ATOM   566  C  C   . TRP B 1 36 ? -6.753  7.417   18.266  1.00 18.26 ? 35  TRP B C   1 
ATOM   567  O  O   . TRP B 1 36 ? -7.593  6.688   18.802  1.00 19.92 ? 35  TRP B O   1 
ATOM   568  C  CB  . TRP B 1 36 ? -5.357  9.096   19.572  1.00 19.05 ? 35  TRP B CB  1 
ATOM   569  C  CG  . TRP B 1 36 ? -6.371  9.361   20.634  1.00 21.26 ? 35  TRP B CG  1 
ATOM   570  C  CD1 . TRP B 1 36 ? -7.403  10.251  20.580  1.00 23.53 ? 35  TRP B CD1 1 
ATOM   571  C  CD2 . TRP B 1 36 ? -6.544  8.622   21.840  1.00 22.98 ? 35  TRP B CD2 1 
ATOM   572  N  NE1 . TRP B 1 36 ? -8.154  10.174  21.729  1.00 25.58 ? 35  TRP B NE1 1 
ATOM   573  C  CE2 . TRP B 1 36 ? -7.661  9.162   22.508  1.00 22.76 ? 35  TRP B CE2 1 
ATOM   574  C  CE3 . TRP B 1 36 ? -5.851  7.566   22.429  1.00 23.35 ? 35  TRP B CE3 1 
ATOM   575  C  CZ2 . TRP B 1 36 ? -8.085  8.693   23.750  1.00 23.48 ? 35  TRP B CZ2 1 
ATOM   576  C  CZ3 . TRP B 1 36 ? -6.283  7.098   23.645  1.00 30.17 ? 35  TRP B CZ3 1 
ATOM   577  C  CH2 . TRP B 1 36 ? -7.383  7.661   24.297  1.00 23.52 ? 35  TRP B CH2 1 
ATOM   578  N  N   . GLU B 1 37 ? -6.939  7.968   17.076  1.00 18.37 ? 36  GLU B N   1 
ATOM   579  C  CA  . GLU B 1 37 ? -8.214  7.760   16.331  1.00 22.54 ? 36  GLU B CA  1 
ATOM   580  C  C   . GLU B 1 37 ? -8.017  6.672   15.270  1.00 23.18 ? 36  GLU B C   1 
ATOM   581  O  O   . GLU B 1 37 ? -7.736  7.002   14.124  1.00 33.00 ? 36  GLU B O   1 
ATOM   582  C  CB  . GLU B 1 37 ? -8.729  9.109   15.824  1.00 27.09 ? 36  GLU B CB  1 
ATOM   583  C  CG  . GLU B 1 37 ? -9.229  9.995   16.959  1.00 27.48 ? 36  GLU B CG  1 
ATOM   584  C  CD  . GLU B 1 37 ? -9.758  11.353  16.537  1.00 24.90 ? 36  GLU B CD  1 
ATOM   585  O  OE1 . GLU B 1 37 ? -10.166 12.120  17.430  1.00 29.59 ? 36  GLU B OE1 1 
ATOM   586  O  OE2 . GLU B 1 37 ? -9.765  11.638  15.327  1.00 29.31 ? 36  GLU B OE2 1 
ATOM   587  N  N   . GLY B 1 38 ? -8.233  5.433   15.665  1.00 27.03 ? 37  GLY B N   1 
ATOM   588  C  CA  . GLY B 1 38 ? -8.093  4.315   14.723  1.00 31.52 ? 37  GLY B CA  1 
ATOM   589  C  C   . GLY B 1 38 ? -6.701  4.344   14.125  1.00 26.91 ? 37  GLY B C   1 
ATOM   590  O  O   . GLY B 1 38 ? -6.589  4.581   12.916  1.00 35.53 ? 37  GLY B O   1 
HETATM 591  N  N   . NH2 B 1 39 ? -5.703  4.073   14.932  1.00 29.53 ? 38  NH2 B N   1 
ATOM   592  N  N   . GLY C 1 2  ? 20.972  0.658   -28.443 1.00 28.66 ? 1   GLY C N   1 
ATOM   593  C  CA  . GLY C 1 2  ? 20.276  -0.124  -27.440 1.00 28.22 ? 1   GLY C CA  1 
ATOM   594  C  C   . GLY C 1 2  ? 21.055  -0.220  -26.145 1.00 26.62 ? 1   GLY C C   1 
ATOM   595  O  O   . GLY C 1 2  ? 20.490  -0.121  -25.063 1.00 28.46 ? 1   GLY C O   1 
ATOM   596  N  N   . LEU C 1 3  ? 22.368  -0.409  -26.249 1.00 24.46 ? 2   LEU C N   1 
ATOM   597  C  CA  . LEU C 1 3  ? 23.200  -0.600  -25.034 1.00 24.57 ? 2   LEU C CA  1 
ATOM   598  C  C   . LEU C 1 3  ? 23.200  0.696   -24.196 1.00 22.21 ? 2   LEU C C   1 
ATOM   599  O  O   . LEU C 1 3  ? 23.027  0.612   -22.962 1.00 21.99 ? 2   LEU C O   1 
ATOM   600  C  CB  . LEU C 1 3  ? 24.603  -1.021  -25.451 1.00 27.67 ? 2   LEU C CB  1 
ATOM   601  C  CG  . LEU C 1 3  ? 25.596  -1.215  -24.302 1.00 29.19 ? 2   LEU C CG  1 
ATOM   602  C  CD1 . LEU C 1 3  ? 25.027  -2.189  -23.287 1.00 29.81 ? 2   LEU C CD1 1 
ATOM   603  C  CD2 . LEU C 1 3  ? 26.925  -1.706  -24.841 1.00 28.00 ? 2   LEU C CD2 1 
ATOM   604  N  N   . ALA C 1 4  ? 23.363  1.854   -24.840 1.00 23.27 ? 3   ALA C N   1 
ATOM   605  C  CA  . ALA C 1 4  ? 23.347  3.111   -24.096 1.00 22.26 ? 3   ALA C CA  1 
ATOM   606  C  C   . ALA C 1 4  ? 21.994  3.356   -23.436 1.00 22.32 ? 3   ALA C C   1 
ATOM   607  O  O   . ALA C 1 4  ? 21.930  3.844   -22.300 1.00 21.14 ? 3   ALA C O   1 
ATOM   608  C  CB  . ALA C 1 4  ? 23.713  4.275   -25.019 1.00 23.98 ? 3   ALA C CB  1 
ATOM   609  N  N   . ALA C 1 5  ? 20.902  3.006   -24.121 1.00 20.10 ? 4   ALA C N   1 
ATOM   610  C  CA  . ALA C 1 5  ? 19.570  3.194   -23.551 1.00 21.31 ? 4   ALA C CA  1 
ATOM   611  C  C   . ALA C 1 5  ? 19.360  2.289   -22.343 1.00 18.07 ? 4   ALA C C   1 
ATOM   612  O  O   . ALA C 1 5  ? 18.778  2.711   -21.330 1.00 18.73 ? 4   ALA C O   1 
ATOM   613  C  CB  . ALA C 1 5  ? 18.504  2.930   -24.619 1.00 23.44 ? 4   ALA C CB  1 
ATOM   614  N  N   . ILE C 1 6  ? 19.825  1.041   -22.433 1.00 18.28 ? 5   ILE C N   1 
ATOM   615  C  CA  . ILE C 1 6  ? 19.710  0.102   -21.319 1.00 19.25 ? 5   ILE C CA  1 
ATOM   616  C  C   . ILE C 1 6  ? 20.520  0.590   -20.129 1.00 20.15 ? 5   ILE C C   1 
ATOM   617  O  O   . ILE C 1 6  ? 20.048  0.552   -18.985 1.00 16.78 ? 5   ILE C O   1 
ATOM   618  C  CB  . ILE C 1 6  ? 20.138  -1.310  -21.763 1.00 21.55 ? 5   ILE C CB  1 
ATOM   619  C  CG1 . ILE C 1 6  ? 19.152  -1.876  -22.781 1.00 24.08 ? 5   ILE C CG1 1 
ATOM   620  C  CG2 . ILE C 1 6  ? 20.262  -2.245  -20.556 1.00 22.07 ? 5   ILE C CG2 1 
ATOM   621  C  CD1 . ILE C 1 6  ? 19.663  -3.114  -23.501 1.00 27.10 ? 5   ILE C CD1 1 
ATOM   622  N  N   . LYS C 1 7  ? 21.752  1.046   -20.369 1.00 16.71 ? 6   LYS C N   1 
ATOM   623  C  CA  . LYS C 1 7  ? 22.572  1.540   -19.268 1.00 18.87 ? 6   LYS C CA  1 
ATOM   624  C  C   . LYS C 1 7  ? 21.901  2.719   -18.584 1.00 17.64 ? 6   LYS C C   1 
ATOM   625  O  O   . LYS C 1 7  ? 21.945  2.837   -17.354 1.00 16.62 ? 6   LYS C O   1 
ATOM   626  C  CB  . LYS C 1 7  ? 23.963  1.930   -19.773 1.00 20.91 ? 6   LYS C CB  1 
ATOM   627  C  CG  . LYS C 1 7  ? 24.898  0.754   -19.992 1.00 30.41 ? 6   LYS C CG  1 
ATOM   628  C  CD  . LYS C 1 7  ? 26.352  1.196   -19.848 1.00 38.15 ? 6   LYS C CD  1 
ATOM   629  C  CE  . LYS C 1 7  ? 27.307  0.012   -19.868 1.00 42.01 ? 6   LYS C CE  1 
ATOM   630  N  NZ  . LYS C 1 7  ? 27.103  -0.860  -21.053 1.00 39.20 ? 6   LYS C NZ  1 
ATOM   631  N  N   . GLN C 1 8  ? 21.268  3.594   -19.364 1.00 17.80 ? 7   GLN C N   1 
ATOM   632  C  CA  . GLN C 1 8  ? 20.615  4.762   -18.790 1.00 18.28 ? 7   GLN C CA  1 
ATOM   633  C  C   . GLN C 1 8  ? 19.438  4.354   -17.919 1.00 16.75 ? 7   GLN C C   1 
ATOM   634  O  O   . GLN C 1 8  ? 19.277  4.878   -16.811 1.00 15.90 ? 7   GLN C O   1 
ATOM   635  C  CB  . GLN C 1 8  ? 20.174  5.707   -19.905 1.00 21.07 ? 7   GLN C CB  1 
ATOM   636  C  CG  . GLN C 1 8  ? 19.491  6.944   -19.391 1.00 24.08 ? 7   GLN C CG  1 
ATOM   637  C  CD  . GLN C 1 8  ? 19.384  8.032   -20.423 1.00 30.83 ? 7   GLN C CD  1 
ATOM   638  O  OE1 . GLN C 1 8  ? 18.848  9.106   -20.159 1.00 33.25 ? 7   GLN C OE1 1 
ATOM   639  N  NE2 . GLN C 1 8  ? 19.870  7.749   -21.623 1.00 37.85 ? 7   GLN C NE2 1 
ATOM   640  N  N   . GLU C 1 9  ? 18.644  3.381   -18.367 1.00 15.40 ? 8   GLU C N   1 
ATOM   641  C  CA  . GLU C 1 9  ? 17.541  2.897   -17.536 1.00 15.18 ? 8   GLU C CA  1 
ATOM   642  C  C   . GLU C 1 9  ? 18.045  2.170   -16.293 1.00 14.56 ? 8   GLU C C   1 
ATOM   643  O  O   . GLU C 1 9  ? 17.446  2.298   -15.216 1.00 13.61 ? 8   GLU C O   1 
ATOM   644  C  CB  . GLU C 1 9  ? 16.614  2.007   -18.353 1.00 16.42 ? 8   GLU C CB  1 
ATOM   645  C  CG  . GLU C 1 9  ? 15.857  2.796   -19.411 1.00 18.63 ? 8   GLU C CG  1 
ATOM   646  C  CD  . GLU C 1 9  ? 14.776  1.996   -20.105 1.00 22.54 ? 8   GLU C CD  1 
ATOM   647  O  OE1 . GLU C 1 9  ? 14.936  0.761   -20.264 1.00 21.76 ? 8   GLU C OE1 1 
ATOM   648  O  OE2 . GLU C 1 9  ? 13.762  2.614   -20.500 1.00 25.88 ? 8   GLU C OE2 1 
ATOM   649  N  N   . HIS C 1 10 ? 19.147  1.416   -16.401 1.00 13.64 ? 9   HIS C N   1 
ATOM   650  C  CA  . HIS C 1 10 ? 19.707  0.796   -15.199 1.00 14.53 ? 9   HIS C CA  1 
ATOM   651  C  C   . HIS C 1 10 ? 20.179  1.847   -14.214 1.00 14.11 ? 9   HIS C C   1 
ATOM   652  O  O   . HIS C 1 10 ? 20.019  1.678   -12.999 1.00 14.24 ? 9   HIS C O   1 
ATOM   653  C  CB  . HIS C 1 10 ? 20.854  -0.148  -15.550 1.00 15.15 ? 9   HIS C CB  1 
ATOM   654  C  CG  . HIS C 1 10 ? 20.385  -1.449  -16.100 1.00 16.84 ? 9   HIS C CG  1 
ATOM   655  N  ND1 . HIS C 1 10 ? 21.190  -2.280  -16.847 1.00 21.64 ? 9   HIS C ND1 1 
ATOM   656  C  CD2 . HIS C 1 10 ? 19.174  -2.050  -16.039 1.00 17.96 ? 9   HIS C CD2 1 
ATOM   657  C  CE1 . HIS C 1 10 ? 20.499  -3.347  -17.207 1.00 20.29 ? 9   HIS C CE1 1 
ATOM   658  N  NE2 . HIS C 1 10 ? 19.276  -3.236  -16.722 1.00 18.57 ? 9   HIS C NE2 1 
ATOM   659  N  N   . ALA C 1 11 ? 20.746  2.948   -14.714 1.00 13.94 ? 10  ALA C N   1 
ATOM   660  C  CA  . ALA C 1 11 ? 21.160  4.017   -13.816 1.00 13.74 ? 10  ALA C CA  1 
ATOM   661  C  C   . ALA C 1 11 ? 19.955  4.650   -13.140 1.00 14.32 ? 10  ALA C C   1 
ATOM   662  O  O   . ALA C 1 11 ? 20.003  4.950   -11.945 1.00 14.10 ? 10  ALA C O   1 
ATOM   663  C  CB  . ALA C 1 11 ? 21.985  5.057   -14.576 1.00 15.51 ? 10  ALA C CB  1 
ATOM   664  N  N   . ALA C 1 12 ? 18.857  4.820   -13.878 1.00 12.66 ? 11  ALA C N   1 
ATOM   665  C  CA  . ALA C 1 12 ? 17.631  5.365   -13.298 1.00 12.57 ? 11  ALA C CA  1 
ATOM   666  C  C   . ALA C 1 12 ? 17.087  4.447   -12.216 1.00 13.27 ? 11  ALA C C   1 
ATOM   667  O  O   . ALA C 1 12 ? 16.719  4.914   -11.131 1.00 13.00 ? 11  ALA C O   1 
ATOM   668  C  CB  . ALA C 1 12 ? 16.585  5.606   -14.397 1.00 12.79 ? 11  ALA C CB  1 
ATOM   669  N  N   . ILE C 1 13 ? 17.086  3.134   -12.466 1.00 12.78 ? 12  ILE C N   1 
ATOM   670  C  CA  . ILE C 1 13 ? 16.595  2.183   -11.470 1.00 13.35 ? 12  ILE C CA  1 
ATOM   671  C  C   . ILE C 1 13 ? 17.482  2.225   -10.236 1.00 12.85 ? 12  ILE C C   1 
ATOM   672  O  O   . ILE C 1 13 ? 16.995  2.248   -9.088  1.00 13.67 ? 12  ILE C O   1 
ATOM   673  C  CB  . ILE C 1 13 ? 16.514  0.761   -12.062 1.00 13.46 ? 12  ILE C CB  1 
ATOM   674  C  CG1 . ILE C 1 13 ? 15.454  0.696   -13.158 1.00 14.69 ? 12  ILE C CG1 1 
ATOM   675  C  CG2 . ILE C 1 13 ? 16.219  -0.273  -10.960 1.00 15.79 ? 12  ILE C CG2 1 
ATOM   676  C  CD1 . ILE C 1 13 ? 15.543  -0.563  -14.016 1.00 17.22 ? 12  ILE C CD1 1 
ATOM   677  N  N   . LYS C 1 14 ? 18.801  2.254   -10.439 1.00 13.51 ? 13  LYS C N   1 
ATOM   678  C  CA  . LYS C 1 14 ? 19.707  2.304   -9.298  1.00 14.43 ? 13  LYS C CA  1 
ATOM   679  C  C   . LYS C 1 14 ? 19.481  3.583   -8.509  1.00 12.39 ? 13  LYS C C   1 
ATOM   680  O  O   . LYS C 1 14 ? 19.450  3.560   -7.272  1.00 13.75 ? 13  LYS C O   1 
ATOM   681  C  CB  . LYS C 1 14 ? 21.158  2.255   -9.766  1.00 17.05 ? 13  LYS C CB  1 
ATOM   682  C  CG  . LYS C 1 14 ? 21.759  0.858   -9.829  1.00 25.14 ? 13  LYS C CG  1 
ATOM   683  C  CD  . LYS C 1 14 ? 22.835  0.752   -10.896 1.00 37.49 ? 13  LYS C CD  1 
ATOM   684  C  CE  . LYS C 1 14 ? 23.820  1.925   -10.853 1.00 39.17 ? 13  LYS C CE  1 
ATOM   685  N  NZ  . LYS C 1 14 ? 24.258  2.316   -9.471  1.00 40.75 ? 13  LYS C NZ  1 
ATOM   686  N  N   . GLN C 1 15 ? 19.294  4.710   -9.199  1.00 13.05 ? 14  GLN C N   1 
ATOM   687  C  CA  . GLN C 1 15 ? 19.057  5.973   -8.504  1.00 13.53 ? 14  GLN C CA  1 
ATOM   688  C  C   . GLN C 1 15 ? 17.722  5.964   -7.762  1.00 13.27 ? 14  GLN C C   1 
ATOM   689  O  O   . GLN C 1 15 ? 17.624  6.501   -6.644  1.00 12.58 ? 14  GLN C O   1 
ATOM   690  C  CB  . GLN C 1 15 ? 19.115  7.142   -9.481  1.00 13.82 ? 14  GLN C CB  1 
ATOM   691  C  CG  . GLN C 1 15 ? 20.518  7.460   -9.950  1.00 15.92 ? 14  GLN C CG  1 
ATOM   692  C  CD  . GLN C 1 15 ? 20.547  8.613   -10.917 1.00 17.65 ? 14  GLN C CD  1 
ATOM   693  O  OE1 . GLN C 1 15 ? 19.921  9.657   -10.697 1.00 17.95 ? 14  GLN C OE1 1 
ATOM   694  N  NE2 . GLN C 1 15 ? 21.287  8.437   -12.007 1.00 21.20 ? 14  GLN C NE2 1 
ATOM   695  N  N   . GLU C 1 16 ? 16.677  5.379   -8.353  1.00 12.30 ? 15  GLU C N   1 
ATOM   696  C  CA  . GLU C 1 16 ? 15.402  5.282   -7.639  1.00 13.45 ? 15  GLU C CA  1 
ATOM   697  C  C   . GLU C 1 16 ? 15.541  4.427   -6.395  1.00 12.85 ? 15  GLU C C   1 
ATOM   698  O  O   . GLU C 1 16 ? 14.991  4.759   -5.341  1.00 13.38 ? 15  GLU C O   1 
ATOM   699  C  CB  . GLU C 1 16 ? 14.331  4.662   -8.530  1.00 14.00 ? 15  GLU C CB  1 
ATOM   700  C  CG  . GLU C 1 16 ? 13.933  5.542   -9.705  1.00 18.82 ? 15  GLU C CG  1 
ATOM   701  C  CD  . GLU C 1 16 ? 12.457  5.818   -9.742  1.00 23.68 ? 15  GLU C CD  1 
ATOM   702  O  OE1 . GLU C 1 16 ? 11.934  6.084   -10.834 1.00 24.62 ? 15  GLU C OE1 1 
ATOM   703  O  OE2 . GLU C 1 16 ? 11.813  5.771   -8.670  1.00 29.27 ? 15  GLU C OE2 1 
ATOM   704  N  N   . LEU C 1 17 ? 16.263  3.310   -6.498  1.00 13.47 ? 16  LEU C N   1 
ATOM   705  C  CA  . LEU C 1 17 ? 16.429  2.442   -5.336  1.00 13.75 ? 16  LEU C CA  1 
ATOM   706  C  C   . LEU C 1 17 ? 17.246  3.123   -4.244  1.00 13.10 ? 16  LEU C C   1 
ATOM   707  O  O   . LEU C 1 17 ? 16.934  2.971   -3.052  1.00 13.73 ? 16  LEU C O   1 
ATOM   708  C  CB  . LEU C 1 17 ? 17.064  1.116   -5.752  1.00 15.53 ? 16  LEU C CB  1 
ATOM   709  C  CG  . LEU C 1 17 ? 16.157  0.211   -6.589  1.00 15.61 ? 16  LEU C CG  1 
ATOM   710  C  CD1 . LEU C 1 17 ? 16.957  -0.945  -7.154  1.00 16.88 ? 16  LEU C CD1 1 
ATOM   711  C  CD2 . LEU C 1 17 ? 14.990  -0.298  -5.754  1.00 19.01 ? 16  LEU C CD2 1 
ATOM   712  N  N   . ALA C 1 18 ? 18.284  3.883   -4.619  1.00 12.63 ? 17  ALA C N   1 
ATOM   713  C  CA  . ALA C 1 18 ? 19.045  4.650   -3.630  1.00 13.33 ? 17  ALA C CA  1 
ATOM   714  C  C   . ALA C 1 18 ? 18.151  5.663   -2.919  1.00 12.54 ? 17  ALA C C   1 
ATOM   715  O  O   . ALA C 1 18 ? 18.270  5.871   -1.705  1.00 13.49 ? 17  ALA C O   1 
ATOM   716  C  CB  . ALA C 1 18 ? 20.228  5.357   -4.302  1.00 14.99 ? 17  ALA C CB  1 
ATOM   717  N  N   . ALA C 1 19 ? 17.223  6.278   -3.650  1.00 12.00 ? 18  ALA C N   1 
ATOM   718  C  CA  . ALA C 1 19 ? 16.329  7.268   -3.055  1.00 13.63 ? 18  ALA C CA  1 
ATOM   719  C  C   . ALA C 1 19 ? 15.316  6.600   -2.138  1.00 12.77 ? 18  ALA C C   1 
ATOM   720  O  O   . ALA C 1 19 ? 14.974  7.144   -1.078  1.00 13.44 ? 18  ALA C O   1 
ATOM   721  C  CB  . ALA C 1 19 ? 15.627  8.050   -4.168  1.00 13.37 ? 18  ALA C CB  1 
ATOM   722  N  N   . ILE C 1 20 ? 14.834  5.415   -2.518  1.00 12.93 ? 19  ILE C N   1 
ATOM   723  C  CA  . ILE C 1 20 ? 13.950  4.636   -1.649  1.00 14.08 ? 19  ILE C CA  1 
ATOM   724  C  C   . ILE C 1 20 ? 14.671  4.249   -0.370  1.00 13.32 ? 19  ILE C C   1 
ATOM   725  O  O   . ILE C 1 20 ? 14.121  4.369   0.738   1.00 13.14 ? 19  ILE C O   1 
ATOM   726  C  CB  . ILE C 1 20 ? 13.414  3.406   -2.413  1.00 13.51 ? 19  ILE C CB  1 
ATOM   727  C  CG1 . ILE C 1 20 ? 12.389  3.864   -3.447  1.00 14.49 ? 19  ILE C CG1 1 
ATOM   728  C  CG2 . ILE C 1 20 ? 12.822  2.356   -1.454  1.00 15.37 ? 19  ILE C CG2 1 
ATOM   729  C  CD1 . ILE C 1 20 ? 12.081  2.839   -4.516  1.00 15.60 ? 19  ILE C CD1 1 
ATOM   730  N  N   . LYS C 1 21 ? 15.918  3.799   -0.499  1.00 12.84 ? 20  LYS C N   1 
ATOM   731  C  CA  . LYS C 1 21 ? 16.682  3.414   0.679   1.00 13.96 ? 20  LYS C CA  1 
ATOM   732  C  C   . LYS C 1 21 ? 16.888  4.603   1.609   1.00 13.64 ? 20  LYS C C   1 
ATOM   733  O  O   . LYS C 1 21 ? 16.761  4.465   2.831   1.00 13.74 ? 20  LYS C O   1 
ATOM   734  C  CB  . LYS C 1 21 ? 18.025  2.815   0.259   1.00 15.89 ? 20  LYS C CB  1 
ATOM   735  C  CG  . LYS C 1 21 ? 18.788  2.241   1.445   1.00 19.32 ? 20  LYS C CG  1 
ATOM   736  C  CD  . LYS C 1 21 ? 20.026  1.490   1.027   1.00 25.46 ? 20  LYS C CD  1 
ATOM   737  C  CE  . LYS C 1 21 ? 21.104  2.449   0.559   1.00 26.23 ? 20  LYS C CE  1 
ATOM   738  N  NZ  . LYS C 1 21 ? 22.417  1.761   0.376   1.00 29.68 ? 20  LYS C NZ  1 
ATOM   739  N  N   A GLN C 1 22 ? 17.197  5.781   1.058   0.56 13.74 ? 21  GLN C N   1 
ATOM   740  N  N   B GLN C 1 22 ? 17.200  5.781   1.050   0.44 13.75 ? 21  GLN C N   1 
ATOM   741  C  CA  A GLN C 1 22 ? 17.375  6.959   1.907   0.56 14.86 ? 21  GLN C CA  1 
ATOM   742  C  CA  B GLN C 1 22 ? 17.382  6.974   1.877   0.44 14.89 ? 21  GLN C CA  1 
ATOM   743  C  C   A GLN C 1 22 ? 16.071  7.374   2.582   0.56 13.72 ? 21  GLN C C   1 
ATOM   744  C  C   B GLN C 1 22 ? 16.096  7.331   2.606   0.44 13.76 ? 21  GLN C C   1 
ATOM   745  O  O   A GLN C 1 22 ? 16.084  7.800   3.742   0.56 13.37 ? 21  GLN C O   1 
ATOM   746  O  O   B GLN C 1 22 ? 16.127  7.669   3.795   0.44 13.31 ? 21  GLN C O   1 
ATOM   747  C  CB  A GLN C 1 22 ? 17.993  8.112   1.112   0.56 16.08 ? 21  GLN C CB  1 
ATOM   748  C  CB  B GLN C 1 22 ? 17.826  8.158   1.013   0.44 16.53 ? 21  GLN C CB  1 
ATOM   749  C  CG  A GLN C 1 22 ? 19.431  7.876   0.700   0.56 20.62 ? 21  GLN C CG  1 
ATOM   750  C  CG  B GLN C 1 22 ? 18.330  9.380   1.794   0.44 18.65 ? 21  GLN C CG  1 
ATOM   751  C  CD  A GLN C 1 22 ? 20.361  7.775   1.892   0.56 24.97 ? 21  GLN C CD  1 
ATOM   752  C  CD  B GLN C 1 22 ? 17.236  10.334  2.260   0.44 23.42 ? 21  GLN C CD  1 
ATOM   753  O  OE1 A GLN C 1 22 ? 20.738  6.680   2.314   0.56 25.94 ? 21  GLN C OE1 1 
ATOM   754  O  OE1 B GLN C 1 22 ? 16.124  10.350  1.734   0.44 20.72 ? 21  GLN C OE1 1 
ATOM   755  N  NE2 A GLN C 1 22 ? 20.726  8.922   2.452   0.56 32.18 ? 21  GLN C NE2 1 
ATOM   756  N  NE2 B GLN C 1 22 ? 17.573  11.168  3.238   0.44 23.31 ? 21  GLN C NE2 1 
ATOM   757  N  N   A GLU C 1 23 ? 14.934  7.249   1.887   0.56 13.29 ? 22  GLU C N   1 
ATOM   758  N  N   B GLU C 1 23 ? 14.956  7.269   1.910   0.44 13.32 ? 22  GLU C N   1 
ATOM   759  C  CA  A GLU C 1 23 ? 13.650  7.540   2.519   0.56 14.91 ? 22  GLU C CA  1 
ATOM   760  C  CA  B GLU C 1 23 ? 13.674  7.554   2.545   0.44 14.90 ? 22  GLU C CA  1 
ATOM   761  C  C   A GLU C 1 23 ? 13.368  6.564   3.648   0.56 13.62 ? 22  GLU C C   1 
ATOM   762  C  C   B GLU C 1 23 ? 13.393  6.569   3.667   0.44 13.66 ? 22  GLU C C   1 
ATOM   763  O  O   A GLU C 1 23 ? 12.845  6.955   4.699   0.56 13.49 ? 22  GLU C O   1 
ATOM   764  O  O   B GLU C 1 23 ? 12.890  6.956   4.728   0.44 13.54 ? 22  GLU C O   1 
ATOM   765  C  CB  A GLU C 1 23 ? 12.526  7.480   1.486   0.56 15.01 ? 22  GLU C CB  1 
ATOM   766  C  CB  B GLU C 1 23 ? 12.551  7.498   1.509   0.44 15.03 ? 22  GLU C CB  1 
ATOM   767  C  CG  A GLU C 1 23 ? 12.481  8.665   0.534   0.56 21.55 ? 22  GLU C CG  1 
ATOM   768  C  CG  B GLU C 1 23 ? 12.524  8.666   0.530   0.44 21.52 ? 22  GLU C CG  1 
ATOM   769  C  CD  A GLU C 1 23 ? 11.154  9.399   0.583   0.56 24.45 ? 22  GLU C CD  1 
ATOM   770  C  CD  B GLU C 1 23 ? 12.044  9.961   1.165   0.44 22.86 ? 22  GLU C CD  1 
ATOM   771  O  OE1 A GLU C 1 23 ? 10.417  9.227   1.577   0.56 25.86 ? 22  GLU C OE1 1 
ATOM   772  O  OE1 B GLU C 1 23 ? 11.166  9.906   2.051   0.44 27.69 ? 22  GLU C OE1 1 
ATOM   773  O  OE2 A GLU C 1 23 ? 10.848  10.150  -0.368  0.56 28.45 ? 22  GLU C OE2 1 
ATOM   774  O  OE2 B GLU C 1 23 ? 12.547  11.036  0.773   0.44 30.53 ? 22  GLU C OE2 1 
ATOM   775  N  N   . LEU C 1 24 ? 13.722  5.289   3.461   1.00 13.07 ? 23  LEU C N   1 
ATOM   776  C  CA  . LEU C 1 24 ? 13.520  4.308   4.525   1.00 13.71 ? 23  LEU C CA  1 
ATOM   777  C  C   . LEU C 1 24 ? 14.413  4.603   5.721   1.00 11.84 ? 23  LEU C C   1 
ATOM   778  O  O   . LEU C 1 24 ? 13.976  4.474   6.874   1.00 13.10 ? 23  LEU C O   1 
ATOM   779  C  CB  . LEU C 1 24 ? 13.762  2.894   4.002   1.00 13.64 ? 23  LEU C CB  1 
ATOM   780  C  CG  . LEU C 1 24 ? 12.690  2.421   3.013   1.00 15.02 ? 23  LEU C CG  1 
ATOM   781  C  CD1 . LEU C 1 24 ? 13.131  1.128   2.333   1.00 19.53 ? 23  LEU C CD1 1 
ATOM   782  C  CD2 . LEU C 1 24 ? 11.349  2.242   3.711   1.00 16.35 ? 23  LEU C CD2 1 
ATOM   783  N  N   . ALA C 1 25 ? 15.662  5.001   5.475   1.00 13.08 ? 24  ALA C N   1 
ATOM   784  C  CA  . ALA C 1 25 ? 16.531  5.385   6.584   1.00 14.36 ? 24  ALA C CA  1 
ATOM   785  C  C   . ALA C 1 25 ? 15.955  6.578   7.339   1.00 13.57 ? 24  ALA C C   1 
ATOM   786  O  O   . ALA C 1 25 ? 15.999  6.617   8.578   1.00 13.63 ? 24  ALA C O   1 
ATOM   787  C  CB  . ALA C 1 25 ? 17.948  5.667   6.077   1.00 16.05 ? 24  ALA C CB  1 
ATOM   788  N  N   . ALA C 1 26 ? 15.373  7.540   6.621   1.00 14.63 ? 25  ALA C N   1 
ATOM   789  C  CA  . ALA C 1 26 ? 14.740  8.679   7.280   1.00 14.12 ? 25  ALA C CA  1 
ATOM   790  C  C   . ALA C 1 26 ? 13.525  8.246   8.092   1.00 13.64 ? 25  ALA C C   1 
ATOM   791  O  O   . ALA C 1 26 ? 13.339  8.713   9.222   1.00 15.01 ? 25  ALA C O   1 
ATOM   792  C  CB  . ALA C 1 26 ? 14.373  9.757   6.262   1.00 14.86 ? 25  ALA C CB  1 
ATOM   793  N  N   . ILE C 1 27 ? 12.699  7.347   7.553   1.00 13.15 ? 26  ILE C N   1 
ATOM   794  C  CA  . ILE C 1 27 ? 11.560  6.813   8.307   1.00 13.53 ? 26  ILE C CA  1 
ATOM   795  C  C   . ILE C 1 27 ? 12.031  6.111   9.572   1.00 12.86 ? 26  ILE C C   1 
ATOM   796  O  O   . ILE C 1 27 ? 11.461  6.307   10.654  1.00 12.56 ? 26  ILE C O   1 
ATOM   797  C  CB  . ILE C 1 27 ? 10.723  5.883   7.408   1.00 13.87 ? 26  ILE C CB  1 
ATOM   798  C  CG1 . ILE C 1 27 ? 9.954   6.735   6.399   1.00 13.75 ? 26  ILE C CG1 1 
ATOM   799  C  CG2 . ILE C 1 27 ? 9.790   4.992   8.240   1.00 14.57 ? 26  ILE C CG2 1 
ATOM   800  C  CD1 . ILE C 1 27 ? 9.443   5.971   5.167   1.00 13.76 ? 26  ILE C CD1 1 
ATOM   801  N  N   . LYS C 1 28 ? 13.085  5.297   9.461   1.00 13.65 ? 27  LYS C N   1 
ATOM   802  C  CA  . LYS C 1 28 ? 13.653  4.616   10.621  1.00 13.18 ? 27  LYS C CA  1 
ATOM   803  C  C   . LYS C 1 28 ? 14.099  5.620   11.677  1.00 12.96 ? 27  LYS C C   1 
ATOM   804  O  O   . LYS C 1 28 ? 13.822  5.443   12.871  1.00 13.65 ? 27  LYS C O   1 
ATOM   805  C  CB  . LYS C 1 28 ? 14.833  3.763   10.140  1.00 14.74 ? 27  LYS C CB  1 
ATOM   806  C  CG  . LYS C 1 28 ? 15.663  3.120   11.249  1.00 14.92 ? 27  LYS C CG  1 
ATOM   807  C  CD  . LYS C 1 28 ? 17.011  2.614   10.728  1.00 18.81 ? 27  LYS C CD  1 
ATOM   808  C  CE  . LYS C 1 28 ? 17.912  3.746   10.283  1.00 19.91 ? 27  LYS C CE  1 
ATOM   809  N  NZ  . LYS C 1 28 ? 19.129  3.236   9.552   1.00 22.24 ? 27  LYS C NZ  1 
ATOM   810  N  N   . GLN C 1 29 ? 14.773  6.690   11.258  1.00 13.09 ? 28  GLN C N   1 
ATOM   811  C  CA  . GLN C 1 29 ? 15.260  7.675   12.219  1.00 14.48 ? 28  GLN C CA  1 
ATOM   812  C  C   . GLN C 1 29 ? 14.103  8.423   12.864  1.00 13.40 ? 28  GLN C C   1 
ATOM   813  O  O   . GLN C 1 29 ? 14.151  8.728   14.069  1.00 14.78 ? 28  GLN C O   1 
ATOM   814  C  CB  . GLN C 1 29 ? 16.261  8.615   11.539  1.00 15.74 ? 28  GLN C CB  1 
ATOM   815  C  CG  . GLN C 1 29 ? 17.559  7.911   11.167  1.00 17.75 ? 28  GLN C CG  1 
ATOM   816  C  CD  . GLN C 1 29 ? 18.466  8.746   10.279  1.00 27.09 ? 28  GLN C CD  1 
ATOM   817  O  OE1 . GLN C 1 29 ? 18.336  9.968   10.199  1.00 29.25 ? 28  GLN C OE1 1 
ATOM   818  N  NE2 . GLN C 1 29 ? 19.386  8.079   9.596   1.00 25.85 ? 28  GLN C NE2 1 
ATOM   819  N  N   . GLU C 1 30 ? 13.056  8.716   12.090  1.00 14.53 ? 29  GLU C N   1 
ATOM   820  C  CA  . GLU C 1 30 ? 11.875  9.378   12.634  1.00 15.19 ? 29  GLU C CA  1 
ATOM   821  C  C   . GLU C 1 30 ? 11.188  8.490   13.660  1.00 13.25 ? 29  GLU C C   1 
ATOM   822  O  O   . GLU C 1 30 ? 10.783  8.961   14.733  1.00 14.02 ? 29  GLU C O   1 
ATOM   823  C  CB  . GLU C 1 30 ? 10.916  9.708   11.491  1.00 16.10 ? 29  GLU C CB  1 
ATOM   824  C  CG  . GLU C 1 30 ? 10.966  11.157  11.025  1.00 21.77 ? 29  GLU C CG  1 
ATOM   825  C  CD  . GLU C 1 30 ? 10.804  12.142  12.162  1.00 25.21 ? 29  GLU C CD  1 
ATOM   826  O  OE1 . GLU C 1 30 ? 9.822   12.017  12.923  1.00 28.89 ? 29  GLU C OE1 1 
ATOM   827  O  OE2 . GLU C 1 30 ? 11.661  13.041  12.295  1.00 26.71 ? 29  GLU C OE2 1 
ATOM   828  N  N   . LEU C 1 31 ? 11.072  7.195   13.360  1.00 13.49 ? 30  LEU C N   1 
ATOM   829  C  CA  . LEU C 1 31 ? 10.488  6.259   14.316  1.00 12.72 ? 30  LEU C CA  1 
ATOM   830  C  C   . LEU C 1 31 ? 11.334  6.159   15.577  1.00 13.26 ? 30  LEU C C   1 
ATOM   831  O  O   . LEU C 1 31 ? 10.797  6.053   16.685  1.00 13.36 ? 30  LEU C O   1 
ATOM   832  C  CB  . LEU C 1 31 ? 10.320  4.889   13.668  1.00 14.31 ? 30  LEU C CB  1 
ATOM   833  C  CG  . LEU C 1 31 ? 9.161   4.785   12.678  1.00 14.52 ? 30  LEU C CG  1 
ATOM   834  C  CD1 . LEU C 1 31 ? 9.293   3.510   11.865  1.00 15.71 ? 30  LEU C CD1 1 
ATOM   835  C  CD2 . LEU C 1 31 ? 7.837   4.815   13.432  1.00 16.77 ? 30  LEU C CD2 1 
ATOM   836  N  N   . ALA C 1 32 ? 12.658  6.205   15.438  1.00 12.73 ? 31  ALA C N   1 
ATOM   837  C  CA  . ALA C 1 32 ? 13.505  6.191   16.626  1.00 13.23 ? 31  ALA C CA  1 
ATOM   838  C  C   . ALA C 1 32 ? 13.261  7.422   17.489  1.00 13.33 ? 31  ALA C C   1 
ATOM   839  O  O   . ALA C 1 32 ? 13.212  7.324   18.724  1.00 13.45 ? 31  ALA C O   1 
ATOM   840  C  CB  . ALA C 1 32 ? 14.973  6.079   16.217  1.00 15.30 ? 31  ALA C CB  1 
ATOM   841  N  N   . ALA C 1 33 ? 13.094  8.589   16.871  1.00 14.37 ? 32  ALA C N   1 
ATOM   842  C  CA  . ALA C 1 33 ? 12.761  9.783   17.641  1.00 15.12 ? 32  ALA C CA  1 
ATOM   843  C  C   . ALA C 1 33 ? 11.425  9.627   18.357  1.00 14.16 ? 32  ALA C C   1 
ATOM   844  O  O   . ALA C 1 33 ? 11.305  9.981   19.537  1.00 15.04 ? 32  ALA C O   1 
ATOM   845  C  CB  . ALA C 1 33 ? 12.776  11.024  16.748  1.00 17.54 ? 32  ALA C CB  1 
ATOM   846  N  N   . ILE C 1 34 ? 10.416  9.076   17.677  1.00 13.99 ? 33  ILE C N   1 
ATOM   847  C  CA  . ILE C 1 34 ? 9.120   8.840   18.314  1.00 14.80 ? 33  ILE C CA  1 
ATOM   848  C  C   . ILE C 1 34 ? 9.260   7.863   19.475  1.00 13.61 ? 33  ILE C C   1 
ATOM   849  O  O   . ILE C 1 34 ? 8.636   8.042   20.535  1.00 14.82 ? 33  ILE C O   1 
ATOM   850  C  CB  . ILE C 1 34 ? 8.109   8.363   17.257  1.00 13.84 ? 33  ILE C CB  1 
ATOM   851  C  CG1 . ILE C 1 34 ? 7.727   9.536   16.365  1.00 15.13 ? 33  ILE C CG1 1 
ATOM   852  C  CG2 . ILE C 1 34 ? 6.869   7.771   17.896  1.00 16.09 ? 33  ILE C CG2 1 
ATOM   853  C  CD1 . ILE C 1 34 ? 7.188   9.097   15.029  1.00 17.89 ? 33  ILE C CD1 1 
ATOM   854  N  N   . LYS C 1 35 ? 10.075  6.819   19.290  1.00 13.67 ? 34  LYS C N   1 
ATOM   855  C  CA  . LYS C 1 35 ? 10.350  5.857   20.355  1.00 13.93 ? 34  LYS C CA  1 
ATOM   856  C  C   . LYS C 1 35 ? 10.923  6.545   21.591  1.00 13.84 ? 34  LYS C C   1 
ATOM   857  O  O   . LYS C 1 35 ? 10.465  6.305   22.716  1.00 15.34 ? 34  LYS C O   1 
ATOM   858  C  CB  . LYS C 1 35 ? 11.318  4.792   19.831  1.00 14.94 ? 34  LYS C CB  1 
ATOM   859  C  CG  . LYS C 1 35 ? 11.897  3.873   20.908  1.00 16.19 ? 34  LYS C CG  1 
ATOM   860  C  CD  . LYS C 1 35 ? 13.061  3.056   20.355  1.00 16.24 ? 34  LYS C CD  1 
ATOM   861  C  CE  . LYS C 1 35 ? 14.309  3.896   20.203  1.00 15.76 ? 34  LYS C CE  1 
ATOM   862  N  NZ  . LYS C 1 35 ? 15.328  3.208   19.352  1.00 18.21 ? 34  LYS C NZ  1 
ATOM   863  N  N   . TRP C 1 36 ? 11.915  7.417   21.407  1.00 13.22 ? 35  TRP C N   1 
ATOM   864  C  CA  . TRP C 1 36 ? 12.525  8.097   22.552  1.00 14.83 ? 35  TRP C CA  1 
ATOM   865  C  C   . TRP C 1 36 ? 11.566  9.066   23.221  1.00 15.08 ? 35  TRP C C   1 
ATOM   866  O  O   . TRP C 1 36 ? 11.520  9.146   24.457  1.00 14.45 ? 35  TRP C O   1 
ATOM   867  C  CB  . TRP C 1 36 ? 13.782  8.856   22.129  1.00 15.59 ? 35  TRP C CB  1 
ATOM   868  C  CG  . TRP C 1 36 ? 14.914  7.979   21.722  1.00 16.27 ? 35  TRP C CG  1 
ATOM   869  C  CD1 . TRP C 1 36 ? 15.608  8.028   20.542  1.00 16.43 ? 35  TRP C CD1 1 
ATOM   870  C  CD2 . TRP C 1 36 ? 15.502  6.922   22.489  1.00 17.37 ? 35  TRP C CD2 1 
ATOM   871  N  NE1 . TRP C 1 36 ? 16.582  7.067   20.534  1.00 16.74 ? 35  TRP C NE1 1 
ATOM   872  C  CE2 . TRP C 1 36 ? 16.540  6.373   21.714  1.00 18.76 ? 35  TRP C CE2 1 
ATOM   873  C  CE3 . TRP C 1 36 ? 15.260  6.392   23.759  1.00 18.45 ? 35  TRP C CE3 1 
ATOM   874  C  CZ2 . TRP C 1 36 ? 17.325  5.315   22.158  1.00 22.15 ? 35  TRP C CZ2 1 
ATOM   875  C  CZ3 . TRP C 1 36 ? 16.039  5.337   24.196  1.00 21.40 ? 35  TRP C CZ3 1 
ATOM   876  C  CH2 . TRP C 1 36 ? 17.064  4.813   23.399  1.00 22.83 ? 35  TRP C CH2 1 
ATOM   877  N  N   . GLU C 1 37 ? 10.839  9.844   22.445  1.00 16.51 ? 36  GLU C N   1 
ATOM   878  C  CA  . GLU C 1 37 ? 10.045  10.953  23.040  1.00 19.78 ? 36  GLU C CA  1 
ATOM   879  C  C   . GLU C 1 37 ? 8.696   10.467  23.596  1.00 22.73 ? 36  GLU C C   1 
ATOM   880  O  O   . GLU C 1 37 ? 8.111   11.182  24.416  1.00 27.11 ? 36  GLU C O   1 
ATOM   881  C  CB  . GLU C 1 37 ? 9.963   12.052  21.978  1.00 26.75 ? 36  GLU C CB  1 
ATOM   882  C  CG  . GLU C 1 37 ? 8.933   11.799  20.888  1.00 26.00 ? 36  GLU C CG  1 
ATOM   883  C  CD  . GLU C 1 37 ? 9.286   12.548  19.617  1.00 26.53 ? 36  GLU C CD  1 
ATOM   884  O  OE1 . GLU C 1 37 ? 10.238  13.353  19.611  1.00 29.59 ? 36  GLU C OE1 1 
ATOM   885  O  OE2 . GLU C 1 37 ? 8.605   12.296  18.622  1.00 23.79 ? 36  GLU C OE2 1 
ATOM   886  N  N   . GLY C 1 38 ? 8.276   9.276   23.232  1.00 17.83 ? 37  GLY C N   1 
ATOM   887  C  CA  . GLY C 1 38 ? 7.000   8.768   23.759  1.00 23.90 ? 37  GLY C CA  1 
ATOM   888  C  C   . GLY C 1 38 ? 5.857   9.050   22.799  1.00 32.55 ? 37  GLY C C   1 
ATOM   889  O  O   . GLY C 1 38 ? 4.711   8.700   23.115  1.00 39.00 ? 37  GLY C O   1 
HETATM 890  N  N   . NH2 C 1 39 ? 6.171   9.606   21.643  1.00 36.36 ? 38  NH2 C N   1 
HETATM 891  C  C   . ACE D 1 1  ? 29.622  -5.989  -22.504 0.59 17.28 ? 0   ACE D C   1 
HETATM 892  O  O   . ACE D 1 1  ? 29.441  -5.843  -21.351 1.00 17.76 ? 0   ACE D O   1 
HETATM 893  C  CH3 . ACE D 1 1  ? 31.006  -6.275  -23.037 0.53 22.31 ? 0   ACE D CH3 1 
ATOM   894  N  N   . GLY D 1 2  ? 28.679  -5.930  -23.388 1.00 16.79 ? 1   GLY D N   1 
ATOM   895  C  CA  . GLY D 1 2  ? 27.317  -5.455  -23.097 1.00 17.88 ? 1   GLY D CA  1 
ATOM   896  C  C   . GLY D 1 2  ? 26.587  -6.391  -22.135 1.00 17.17 ? 1   GLY D C   1 
ATOM   897  O  O   . GLY D 1 2  ? 25.978  -5.893  -21.194 1.00 16.36 ? 1   GLY D O   1 
ATOM   898  N  N   . LEU D 1 3  ? 26.650  -7.704  -22.368 1.00 14.92 ? 2   LEU D N   1 
ATOM   899  C  CA  . LEU D 1 3  ? 25.993  -8.640  -21.456 1.00 15.32 ? 2   LEU D CA  1 
ATOM   900  C  C   . LEU D 1 3  ? 26.624  -8.601  -20.071 1.00 15.73 ? 2   LEU D C   1 
ATOM   901  O  O   . LEU D 1 3  ? 25.915  -8.649  -19.056 1.00 16.64 ? 2   LEU D O   1 
ATOM   902  C  CB  . LEU D 1 3  ? 26.056  -10.061 -22.002 1.00 18.77 ? 2   LEU D CB  1 
ATOM   903  C  CG  . LEU D 1 3  ? 25.195  -10.333 -23.231 1.00 20.08 ? 2   LEU D CG  1 
ATOM   904  C  CD1 . LEU D 1 3  ? 25.489  -11.722 -23.771 1.00 24.19 ? 2   LEU D CD1 1 
ATOM   905  C  CD2 . LEU D 1 3  ? 23.731  -10.189 -22.879 1.00 22.94 ? 2   LEU D CD2 1 
ATOM   906  N  N   . ALA D 1 4  ? 27.954  -8.527  -20.002 1.00 14.31 ? 3   ALA D N   1 
ATOM   907  C  CA  . ALA D 1 4  ? 28.610  -8.451  -18.701 1.00 14.99 ? 3   ALA D CA  1 
ATOM   908  C  C   . ALA D 1 4  ? 28.243  -7.162  -17.989 1.00 15.78 ? 3   ALA D C   1 
ATOM   909  O  O   . ALA D 1 4  ? 28.035  -7.163  -16.771 1.00 17.14 ? 3   ALA D O   1 
ATOM   910  C  CB  . ALA D 1 4  ? 30.127  -8.574  -18.861 1.00 16.87 ? 3   ALA D CB  1 
ATOM   911  N  N   . ALA D 1 5  ? 28.128  -6.057  -18.730 1.00 17.03 ? 4   ALA D N   1 
ATOM   912  C  CA  . ALA D 1 5  ? 27.762  -4.788  -18.113 1.00 16.91 ? 4   ALA D CA  1 
ATOM   913  C  C   . ALA D 1 5  ? 26.354  -4.856  -17.549 1.00 16.16 ? 4   ALA D C   1 
ATOM   914  O  O   . ALA D 1 5  ? 26.107  -4.403  -16.421 1.00 17.34 ? 4   ALA D O   1 
ATOM   915  C  CB  . ALA D 1 5  ? 27.886  -3.640  -19.117 1.00 20.24 ? 4   ALA D CB  1 
ATOM   916  N  N   . ILE D 1 6  ? 25.426  -5.452  -18.297 1.00 15.89 ? 5   ILE D N   1 
ATOM   917  C  CA  . ILE D 1 6  ? 24.061  -5.605  -17.809 1.00 16.56 ? 5   ILE D CA  1 
ATOM   918  C  C   . ILE D 1 6  ? 24.044  -6.471  -16.560 1.00 17.68 ? 5   ILE D C   1 
ATOM   919  O  O   . ILE D 1 6  ? 23.361  -6.153  -15.576 1.00 16.82 ? 5   ILE D O   1 
ATOM   920  C  CB  . ILE D 1 6  ? 23.157  -6.174  -18.916 1.00 16.13 ? 5   ILE D CB  1 
ATOM   921  C  CG1 . ILE D 1 6  ? 22.955  -5.125  -20.010 1.00 20.18 ? 5   ILE D CG1 1 
ATOM   922  C  CG2 . ILE D 1 6  ? 21.809  -6.623  -18.343 1.00 19.20 ? 5   ILE D CG2 1 
ATOM   923  C  CD1 . ILE D 1 6  ? 22.293  -5.666  -21.271 1.00 20.71 ? 5   ILE D CD1 1 
ATOM   924  N  N   A LYS D 1 7  ? 24.795  -7.576  -16.575 0.51 17.66 ? 6   LYS D N   1 
ATOM   925  N  N   B LYS D 1 7  ? 24.806  -7.561  -16.579 0.49 17.65 ? 6   LYS D N   1 
ATOM   926  C  CA  A LYS D 1 7  ? 24.848  -8.455  -15.412 0.51 19.15 ? 6   LYS D CA  1 
ATOM   927  C  CA  B LYS D 1 7  ? 24.841  -8.474  -15.408 0.49 19.15 ? 6   LYS D CA  1 
ATOM   928  C  C   A LYS D 1 7  ? 25.373  -7.710  -14.194 0.51 16.36 ? 6   LYS D C   1 
ATOM   929  C  C   B LYS D 1 7  ? 25.362  -7.694  -14.192 0.49 16.37 ? 6   LYS D C   1 
ATOM   930  O  O   A LYS D 1 7  ? 24.838  -7.856  -13.085 0.51 17.07 ? 6   LYS D O   1 
ATOM   931  O  O   B LYS D 1 7  ? 24.788  -7.853  -13.099 0.49 17.07 ? 6   LYS D O   1 
ATOM   932  C  CB  A LYS D 1 7  ? 25.729  -9.668  -15.715 0.51 19.89 ? 6   LYS D CB  1 
ATOM   933  C  CB  B LYS D 1 7  ? 25.707  -9.705  -15.699 0.49 19.90 ? 6   LYS D CB  1 
ATOM   934  C  CG  A LYS D 1 7  ? 25.937  -10.610 -14.542 0.51 24.00 ? 6   LYS D CG  1 
ATOM   935  C  CG  B LYS D 1 7  ? 25.137  -10.628 -16.762 0.49 22.87 ? 6   LYS D CG  1 
ATOM   936  C  CD  A LYS D 1 7  ? 27.016  -11.637 -14.855 0.51 29.04 ? 6   LYS D CD  1 
ATOM   937  C  CD  B LYS D 1 7  ? 26.015  -11.837 -17.062 0.49 30.79 ? 6   LYS D CD  1 
ATOM   938  C  CE  A LYS D 1 7  ? 26.677  -12.994 -14.264 0.51 37.95 ? 6   LYS D CE  1 
ATOM   939  C  CE  B LYS D 1 7  ? 25.422  -12.745 -18.095 0.49 33.28 ? 6   LYS D CE  1 
ATOM   940  N  NZ  A LYS D 1 7  ? 26.709  -12.969 -12.779 0.51 37.85 ? 6   LYS D NZ  1 
ATOM   941  N  NZ  B LYS D 1 7  ? 26.289  -13.889 -18.390 0.49 32.95 ? 6   LYS D NZ  1 
ATOM   942  N  N   . GLN D 1 8  ? 26.409  -6.890  -14.384 1.00 16.58 ? 7   GLN D N   1 
ATOM   943  C  CA  . GLN D 1 8  ? 26.976  -6.130  -13.272 1.00 17.53 ? 7   GLN D CA  1 
ATOM   944  C  C   . GLN D 1 8  ? 25.991  -5.094  -12.746 1.00 15.67 ? 7   GLN D C   1 
ATOM   945  O  O   . GLN D 1 8  ? 25.866  -4.910  -11.525 1.00 15.64 ? 7   GLN D O   1 
ATOM   946  C  CB  . GLN D 1 8  ? 28.296  -5.496  -13.717 1.00 19.11 ? 7   GLN D CB  1 
ATOM   947  C  CG  . GLN D 1 8  ? 29.044  -4.723  -12.644 1.00 21.45 ? 7   GLN D CG  1 
ATOM   948  C  CD  . GLN D 1 8  ? 30.090  -3.786  -13.251 1.00 24.42 ? 7   GLN D CD  1 
ATOM   949  O  OE1 . GLN D 1 8  ? 30.013  -3.428  -14.423 1.00 24.16 ? 7   GLN D OE1 1 
ATOM   950  N  NE2 . GLN D 1 8  ? 31.039  -3.345  -12.430 1.00 32.84 ? 7   GLN D NE2 1 
ATOM   951  N  N   . GLU D 1 9  ? 25.265  -4.428  -13.642 1.00 15.98 ? 8   GLU D N   1 
ATOM   952  C  CA  . GLU D 1 9  ? 24.247  -3.470  -13.220 1.00 16.37 ? 8   GLU D CA  1 
ATOM   953  C  C   . GLU D 1 9  ? 23.123  -4.167  -12.468 1.00 16.69 ? 8   GLU D C   1 
ATOM   954  O  O   . GLU D 1 9  ? 22.660  -3.674  -11.430 1.00 17.23 ? 8   GLU D O   1 
ATOM   955  C  CB  . GLU D 1 9  ? 23.722  -2.705  -14.441 1.00 18.90 ? 8   GLU D CB  1 
ATOM   956  C  CG  . GLU D 1 9  ? 24.755  -1.683  -14.963 1.00 20.39 ? 8   GLU D CG  1 
ATOM   957  C  CD  . GLU D 1 9  ? 24.536  -1.213  -16.390 1.00 29.08 ? 8   GLU D CD  1 
ATOM   958  O  OE1 . GLU D 1 9  ? 23.593  -1.682  -17.052 1.00 26.87 ? 8   GLU D OE1 1 
ATOM   959  O  OE2 . GLU D 1 9  ? 25.322  -0.355  -16.851 1.00 36.27 ? 8   GLU D OE2 1 
ATOM   960  N  N   . HIS D 1 10 ? 22.711  -5.347  -12.936 1.00 17.08 ? 9   HIS D N   1 
ATOM   961  C  CA  . HIS D 1 10 ? 21.681  -6.105  -12.231 1.00 16.54 ? 9   HIS D CA  1 
ATOM   962  C  C   . HIS D 1 10 ? 22.164  -6.560  -10.855 1.00 16.43 ? 9   HIS D C   1 
ATOM   963  O  O   . HIS D 1 10 ? 21.385  -6.568  -9.892  1.00 17.42 ? 9   HIS D O   1 
ATOM   964  C  CB  . HIS D 1 10 ? 21.222  -7.288  -13.092 1.00 18.58 ? 9   HIS D CB  1 
ATOM   965  C  CG  . HIS D 1 10 ? 20.255  -6.912  -14.177 1.00 17.30 ? 9   HIS D CG  1 
ATOM   966  N  ND1 . HIS D 1 10 ? 19.822  -7.807  -15.132 1.00 19.23 ? 9   HIS D ND1 1 
ATOM   967  C  CD2 . HIS D 1 10 ? 19.637  -5.740  -14.453 1.00 18.84 ? 9   HIS D CD2 1 
ATOM   968  C  CE1 . HIS D 1 10 ? 18.978  -7.202  -15.949 1.00 20.70 ? 9   HIS D CE1 1 
ATOM   969  N  NE2 . HIS D 1 10 ? 18.850  -5.946  -15.561 1.00 18.22 ? 9   HIS D NE2 1 
ATOM   970  N  N   . ALA D 1 11 ? 23.444  -6.923  -10.729 1.00 15.86 ? 10  ALA D N   1 
ATOM   971  C  CA  . ALA D 1 11 ? 23.978  -7.294  -9.419  1.00 19.03 ? 10  ALA D CA  1 
ATOM   972  C  C   . ALA D 1 11 ? 23.980  -6.103  -8.470  1.00 17.45 ? 10  ALA D C   1 
ATOM   973  O  O   . ALA D 1 11 ? 23.718  -6.259  -7.268  1.00 18.60 ? 10  ALA D O   1 
ATOM   974  C  CB  . ALA D 1 11 ? 25.389  -7.876  -9.555  1.00 18.08 ? 10  ALA D CB  1 
ATOM   975  N  N   . ALA D 1 12 ? 24.274  -4.907  -8.986  1.00 17.94 ? 11  ALA D N   1 
ATOM   976  C  CA  . ALA D 1 12 ? 24.222  -3.707  -8.154  1.00 18.79 ? 11  ALA D CA  1 
ATOM   977  C  C   . ALA D 1 12 ? 22.799  -3.415  -7.702  1.00 16.75 ? 11  ALA D C   1 
ATOM   978  O  O   . ALA D 1 12 ? 22.574  -3.011  -6.552  1.00 17.68 ? 11  ALA D O   1 
ATOM   979  C  CB  . ALA D 1 12 ? 24.786  -2.512  -8.917  1.00 20.59 ? 11  ALA D CB  1 
ATOM   980  N  N   . ILE D 1 13 ? 21.825  -3.599  -8.590  1.00 16.77 ? 12  ILE D N   1 
ATOM   981  C  CA  . ILE D 1 13 ? 20.425  -3.432  -8.211  1.00 15.68 ? 12  ILE D CA  1 
ATOM   982  C  C   . ILE D 1 13 ? 20.045  -4.436  -7.130  1.00 17.92 ? 12  ILE D C   1 
ATOM   983  O  O   . ILE D 1 13 ? 19.406  -4.082  -6.131  1.00 16.24 ? 12  ILE D O   1 
ATOM   984  C  CB  . ILE D 1 13 ? 19.549  -3.545  -9.478  1.00 15.05 ? 12  ILE D CB  1 
ATOM   985  C  CG1 . ILE D 1 13 ? 19.674  -2.260  -10.297 1.00 16.08 ? 12  ILE D CG1 1 
ATOM   986  C  CG2 . ILE D 1 13 ? 18.098  -3.821  -9.134  1.00 16.69 ? 12  ILE D CG2 1 
ATOM   987  C  CD1 . ILE D 1 13 ? 19.299  -2.413  -11.773 1.00 16.70 ? 12  ILE D CD1 1 
ATOM   988  N  N   . LYS D 1 14 ? 20.479  -5.689  -7.281  1.00 17.98 ? 13  LYS D N   1 
ATOM   989  C  CA  . LYS D 1 14 ? 20.179  -6.711  -6.281  1.00 19.53 ? 13  LYS D CA  1 
ATOM   990  C  C   . LYS D 1 14 ? 20.776  -6.351  -4.926  1.00 19.28 ? 13  LYS D C   1 
ATOM   991  O  O   . LYS D 1 14 ? 20.147  -6.565  -3.881  1.00 19.23 ? 13  LYS D O   1 
ATOM   992  C  CB  . LYS D 1 14 ? 20.695  -8.070  -6.760  1.00 23.86 ? 13  LYS D CB  1 
ATOM   993  C  CG  . LYS D 1 14 ? 19.720  -8.818  -7.658  1.00 30.17 ? 13  LYS D CG  1 
ATOM   994  C  CD  . LYS D 1 14 ? 18.383  -9.042  -6.963  1.00 43.14 ? 13  LYS D CD  1 
ATOM   995  C  CE  . LYS D 1 14 ? 17.585  -10.156 -7.628  1.00 36.73 ? 13  LYS D CE  1 
ATOM   996  N  NZ  . LYS D 1 14 ? 16.659  -10.819 -6.667  1.00 43.08 ? 13  LYS D NZ  1 
ATOM   997  N  N   . GLN D 1 15 ? 21.982  -5.786  -4.921  1.00 19.04 ? 14  GLN D N   1 
ATOM   998  C  CA  . GLN D 1 15 ? 22.596  -5.399  -3.655  1.00 21.43 ? 14  GLN D CA  1 
ATOM   999  C  C   . GLN D 1 15 ? 21.822  -4.266  -2.995  1.00 19.53 ? 14  GLN D C   1 
ATOM   1000 O  O   . GLN D 1 15 ? 21.684  -4.236  -1.763  1.00 19.47 ? 14  GLN D O   1 
ATOM   1001 C  CB  . GLN D 1 15 ? 24.050  -5.007  -3.883  1.00 22.95 ? 14  GLN D CB  1 
ATOM   1002 C  CG  . GLN D 1 15 ? 24.944  -6.183  -4.260  1.00 27.26 ? 14  GLN D CG  1 
ATOM   1003 C  CD  . GLN D 1 15 ? 26.085  -5.759  -5.153  1.00 28.98 ? 14  GLN D CD  1 
ATOM   1004 O  OE1 . GLN D 1 15 ? 26.408  -4.575  -5.235  1.00 29.53 ? 14  GLN D OE1 1 
ATOM   1005 N  NE2 . GLN D 1 15 ? 26.710  -6.723  -5.824  1.00 35.08 ? 14  GLN D NE2 1 
ATOM   1006 N  N   . GLU D 1 16 ? 21.303  -3.330  -3.792  1.00 17.86 ? 15  GLU D N   1 
ATOM   1007 C  CA  . GLU D 1 16 ? 20.496  -2.252  -3.228  1.00 17.20 ? 15  GLU D CA  1 
ATOM   1008 C  C   . GLU D 1 16 ? 19.173  -2.780  -2.686  1.00 17.50 ? 15  GLU D C   1 
ATOM   1009 O  O   . GLU D 1 16 ? 18.698  -2.316  -1.641  1.00 16.96 ? 15  GLU D O   1 
ATOM   1010 C  CB  . GLU D 1 16 ? 20.304  -1.130  -4.251  1.00 20.08 ? 15  GLU D CB  1 
ATOM   1011 C  CG  . GLU D 1 16 ? 19.830  0.195   -3.660  1.00 22.67 ? 15  GLU D CG  1 
ATOM   1012 C  CD  . GLU D 1 16 ? 20.914  0.930   -2.880  1.00 24.83 ? 15  GLU D CD  1 
ATOM   1013 O  OE1 . GLU D 1 16 ? 21.527  0.334   -1.966  1.00 28.09 ? 15  GLU D OE1 1 
ATOM   1014 O  OE2 . GLU D 1 16 ? 21.166  2.111   -3.186  1.00 29.18 ? 15  GLU D OE2 1 
ATOM   1015 N  N   . LEU D 1 17 ? 18.579  -3.776  -3.352  1.00 16.11 ? 16  LEU D N   1 
ATOM   1016 C  CA  . LEU D 1 17 ? 17.391  -4.418  -2.797  1.00 16.49 ? 16  LEU D CA  1 
ATOM   1017 C  C   . LEU D 1 17 ? 17.704  -5.073  -1.454  1.00 18.01 ? 16  LEU D C   1 
ATOM   1018 O  O   . LEU D 1 17 ? 16.901  -4.998  -0.517  1.00 17.33 ? 16  LEU D O   1 
ATOM   1019 C  CB  . LEU D 1 17 ? 16.835  -5.440  -3.787  1.00 17.96 ? 16  LEU D CB  1 
ATOM   1020 C  CG  . LEU D 1 17 ? 16.363  -4.838  -5.108  1.00 18.24 ? 16  LEU D CG  1 
ATOM   1021 C  CD1 . LEU D 1 17 ? 16.121  -5.916  -6.171  1.00 21.04 ? 16  LEU D CD1 1 
ATOM   1022 C  CD2 . LEU D 1 17 ? 15.121  -4.010  -4.918  1.00 18.91 ? 16  LEU D CD2 1 
ATOM   1023 N  N   . ALA D 1 18 ? 18.874  -5.701  -1.332  1.00 17.56 ? 17  ALA D N   1 
ATOM   1024 C  CA  . ALA D 1 18 ? 19.283  -6.273  -0.050  1.00 18.91 ? 17  ALA D CA  1 
ATOM   1025 C  C   . ALA D 1 18 ? 19.405  -5.198  1.026   1.00 19.35 ? 17  ALA D C   1 
ATOM   1026 O  O   . ALA D 1 18 ? 18.992  -5.406  2.182   1.00 21.37 ? 17  ALA D O   1 
ATOM   1027 C  CB  . ALA D 1 18 ? 20.610  -7.012  -0.224  1.00 20.27 ? 17  ALA D CB  1 
ATOM   1028 N  N   . ALA D 1 19 ? 19.980  -4.046  0.677   1.00 17.51 ? 18  ALA D N   1 
ATOM   1029 C  CA  . ALA D 1 19 ? 20.124  -2.972  1.655   1.00 18.30 ? 18  ALA D CA  1 
ATOM   1030 C  C   . ALA D 1 19 ? 18.763  -2.423  2.058   1.00 16.65 ? 18  ALA D C   1 
ATOM   1031 O  O   . ALA D 1 19 ? 18.545  -2.088  3.230   1.00 17.74 ? 18  ALA D O   1 
ATOM   1032 C  CB  . ALA D 1 19 ? 21.009  -1.863  1.095   1.00 20.60 ? 18  ALA D CB  1 
ATOM   1033 N  N   . ILE D 1 20 ? 17.829  -2.351  1.107   1.00 16.03 ? 19  ILE D N   1 
ATOM   1034 C  CA  . ILE D 1 20 ? 16.473  -1.897  1.403   1.00 15.20 ? 19  ILE D CA  1 
ATOM   1035 C  C   . ILE D 1 20 ? 15.794  -2.838  2.388   1.00 19.38 ? 19  ILE D C   1 
ATOM   1036 O  O   . ILE D 1 20 ? 15.129  -2.395  3.334   1.00 16.31 ? 19  ILE D O   1 
ATOM   1037 C  CB  . ILE D 1 20 ? 15.679  -1.756  0.090   1.00 14.66 ? 19  ILE D CB  1 
ATOM   1038 C  CG1 . ILE D 1 20 ? 16.086  -0.466  -0.613  1.00 14.54 ? 19  ILE D CG1 1 
ATOM   1039 C  CG2 . ILE D 1 20 ? 14.186  -1.772  0.352   1.00 16.25 ? 19  ILE D CG2 1 
ATOM   1040 C  CD1 . ILE D 1 20 ? 15.646  -0.410  -2.071  1.00 15.49 ? 19  ILE D CD1 1 
ATOM   1041 N  N   . LYS D 1 21 ? 16.022  -4.143  2.217   1.00 16.79 ? 20  LYS D N   1 
ATOM   1042 C  CA  . LYS D 1 21 ? 15.426  -5.148  3.136   1.00 19.16 ? 20  LYS D CA  1 
ATOM   1043 C  C   . LYS D 1 21 ? 16.052  -4.998  4.533   1.00 18.91 ? 20  LYS D C   1 
ATOM   1044 O  O   . LYS D 1 21 ? 15.330  -5.167  5.513   1.00 20.04 ? 20  LYS D O   1 
ATOM   1045 C  CB  . LYS D 1 21 ? 15.556  -6.523  2.471   1.00 25.97 ? 20  LYS D CB  1 
ATOM   1046 C  CG  . LYS D 1 21 ? 14.593  -6.735  1.322   1.00 33.46 ? 20  LYS D CG  1 
ATOM   1047 C  CD  . LYS D 1 21 ? 14.668  -8.163  0.801   1.00 46.48 ? 20  LYS D CD  1 
ATOM   1048 C  CE  . LYS D 1 21 ? 16.072  -8.668  0.717   1.00 44.72 ? 20  LYS D CE  1 
ATOM   1049 N  NZ  . LYS D 1 21 ? 16.213  -9.713  -0.301  1.00 45.94 ? 20  LYS D NZ  1 
ATOM   1050 N  N   . GLN D 1 22 ? 17.307  -4.568  4.604   1.00 18.46 ? 21  GLN D N   1 
ATOM   1051 C  CA  . GLN D 1 22 ? 17.928  -4.338  5.904   1.00 19.78 ? 21  GLN D CA  1 
ATOM   1052 C  C   . GLN D 1 22 ? 17.308  -3.125  6.586   1.00 22.13 ? 21  GLN D C   1 
ATOM   1053 O  O   . GLN D 1 22 ? 17.085  -3.132  7.803   1.00 20.42 ? 21  GLN D O   1 
ATOM   1054 C  CB  . GLN D 1 22 ? 19.430  -4.151  5.735   1.00 25.04 ? 21  GLN D CB  1 
ATOM   1055 C  CG  . GLN D 1 22 ? 20.176  -5.457  5.551   1.00 29.05 ? 21  GLN D CG  1 
ATOM   1056 C  CD  . GLN D 1 22 ? 21.452  -5.275  4.759   1.00 30.90 ? 21  GLN D CD  1 
ATOM   1057 O  OE1 . GLN D 1 22 ? 21.937  -4.156  4.590   0.51 32.30 ? 21  GLN D OE1 1 
ATOM   1058 N  NE2 . GLN D 1 22 ? 22.002  -6.378  4.266   1.00 41.64 ? 21  GLN D NE2 1 
ATOM   1059 N  N   . GLU D 1 23 ? 17.007  -2.075  5.819   1.00 18.06 ? 22  GLU D N   1 
ATOM   1060 C  CA  . GLU D 1 23 ? 16.343  -0.909  6.398   1.00 15.92 ? 22  GLU D CA  1 
ATOM   1061 C  C   . GLU D 1 23 ? 14.922  -1.246  6.833   1.00 16.98 ? 22  GLU D C   1 
ATOM   1062 O  O   . GLU D 1 23 ? 14.460  -0.757  7.871   1.00 16.11 ? 22  GLU D O   1 
ATOM   1063 C  CB  . GLU D 1 23 ? 16.334  0.264   5.410   1.00 20.77 ? 22  GLU D CB  1 
ATOM   1064 C  CG  . GLU D 1 23 ? 17.712  0.787   5.010   1.00 21.24 ? 22  GLU D CG  1 
ATOM   1065 C  CD  . GLU D 1 23 ? 18.440  1.603   6.083   1.00 26.01 ? 22  GLU D CD  1 
ATOM   1066 O  OE1 . GLU D 1 23 ? 17.853  1.941   7.129   1.00 24.43 ? 22  GLU D OE1 1 
ATOM   1067 O  OE2 . GLU D 1 23 ? 19.635  1.895   5.867   1.00 30.49 ? 22  GLU D OE2 1 
ATOM   1068 N  N   . LEU D 1 24 ? 14.211  -2.077  6.063   1.00 15.75 ? 23  LEU D N   1 
ATOM   1069 C  CA  . LEU D 1 24 ? 12.887  -2.530  6.476   1.00 16.04 ? 23  LEU D CA  1 
ATOM   1070 C  C   . LEU D 1 24 ? 12.948  -3.254  7.815   1.00 17.16 ? 23  LEU D C   1 
ATOM   1071 O  O   . LEU D 1 24 ? 12.088  -3.046  8.682   1.00 17.83 ? 23  LEU D O   1 
ATOM   1072 C  CB  . LEU D 1 24 ? 12.303  -3.462  5.416   1.00 19.27 ? 23  LEU D CB  1 
ATOM   1073 C  CG  . LEU D 1 24 ? 11.928  -2.821  4.082   1.00 18.93 ? 23  LEU D CG  1 
ATOM   1074 C  CD1 . LEU D 1 24 ? 11.466  -3.889  3.104   1.00 18.99 ? 23  LEU D CD1 1 
ATOM   1075 C  CD2 . LEU D 1 24 ? 10.844  -1.785  4.284   1.00 19.24 ? 23  LEU D CD2 1 
ATOM   1076 N  N   . ALA D 1 25 ? 13.932  -4.137  7.981   1.00 17.12 ? 24  ALA D N   1 
ATOM   1077 C  CA  . ALA D 1 25 ? 14.088  -4.824  9.263   1.00 18.07 ? 24  ALA D CA  1 
ATOM   1078 C  C   . ALA D 1 25 ? 14.325  -3.828  10.388  1.00 18.96 ? 24  ALA D C   1 
ATOM   1079 O  O   . ALA D 1 25 ? 13.782  -3.987  11.495  1.00 19.64 ? 24  ALA D O   1 
ATOM   1080 C  CB  . ALA D 1 25 ? 15.244  -5.817  9.175   1.00 20.18 ? 24  ALA D CB  1 
ATOM   1081 N  N   . ALA D 1 26 ? 15.145  -2.804  10.135  1.00 18.62 ? 25  ALA D N   1 
ATOM   1082 C  CA  . ALA D 1 26 ? 15.440  -1.811  11.166  1.00 16.72 ? 25  ALA D CA  1 
ATOM   1083 C  C   . ALA D 1 26 ? 14.204  -0.988  11.512  1.00 16.69 ? 25  ALA D C   1 
ATOM   1084 O  O   . ALA D 1 26 ? 13.967  -0.675  12.687  1.00 17.80 ? 25  ALA D O   1 
ATOM   1085 C  CB  . ALA D 1 26 ? 16.602  -0.915  10.741  1.00 19.39 ? 25  ALA D CB  1 
ATOM   1086 N  N   . ILE D 1 27 ? 13.389  -0.652  10.513  1.00 15.88 ? 26  ILE D N   1 
ATOM   1087 C  CA  . ILE D 1 27 ? 12.117  0.019   10.764  1.00 14.43 ? 26  ILE D CA  1 
ATOM   1088 C  C   . ILE D 1 27 ? 11.233  -0.838  11.658  1.00 17.13 ? 26  ILE D C   1 
ATOM   1089 O  O   . ILE D 1 27 ? 10.636  -0.348  12.626  1.00 16.62 ? 26  ILE D O   1 
ATOM   1090 C  CB  . ILE D 1 27 ? 11.429  0.364   9.432   1.00 14.34 ? 26  ILE D CB  1 
ATOM   1091 C  CG1 . ILE D 1 27 ? 12.155  1.538   8.779   1.00 14.43 ? 26  ILE D CG1 1 
ATOM   1092 C  CG2 . ILE D 1 27 ? 9.954   0.669   9.639   1.00 16.00 ? 26  ILE D CG2 1 
ATOM   1093 C  CD1 . ILE D 1 27 ? 11.800  1.741   7.299   1.00 15.95 ? 26  ILE D CD1 1 
ATOM   1094 N  N   . LYS D 1 28 ? 11.152  -2.137  11.359  1.00 16.98 ? 27  LYS D N   1 
ATOM   1095 C  CA  . LYS D 1 28 ? 10.313  -3.024  12.151  1.00 20.10 ? 27  LYS D CA  1 
ATOM   1096 C  C   . LYS D 1 28 ? 10.789  -3.068  13.593  1.00 16.96 ? 27  LYS D C   1 
ATOM   1097 O  O   . LYS D 1 28 ? 9.968   -3.150  14.520  1.00 19.16 ? 27  LYS D O   1 
ATOM   1098 C  CB  . LYS D 1 28 ? 10.384  -4.426  11.577  1.00 22.21 ? 27  LYS D CB  1 
ATOM   1099 C  CG  . LYS D 1 28 ? 9.428   -4.678  10.467  1.00 29.41 ? 27  LYS D CG  1 
ATOM   1100 C  CD  . LYS D 1 28 ? 10.042  -5.706  9.563   1.00 32.65 ? 27  LYS D CD  1 
ATOM   1101 C  CE  . LYS D 1 28 ? 9.057   -6.137  8.546   1.00 42.39 ? 27  LYS D CE  1 
ATOM   1102 N  NZ  . LYS D 1 28 ? 7.671   -5.755  8.959   1.00 45.70 ? 27  LYS D NZ  1 
ATOM   1103 N  N   . GLN D 1 29 ? 12.108  -3.011  13.801  1.00 17.49 ? 28  GLN D N   1 
ATOM   1104 C  CA  . GLN D 1 29 ? 12.651  -3.017  15.159  1.00 17.61 ? 28  GLN D CA  1 
ATOM   1105 C  C   . GLN D 1 29 ? 12.237  -1.771  15.935  1.00 18.10 ? 28  GLN D C   1 
ATOM   1106 O  O   . GLN D 1 29 ? 11.861  -1.864  17.112  1.00 17.27 ? 28  GLN D O   1 
ATOM   1107 C  CB  . GLN D 1 29 ? 14.172  -3.156  15.123  1.00 19.76 ? 28  GLN D CB  1 
ATOM   1108 C  CG  . GLN D 1 29 ? 14.784  -3.386  16.489  1.00 24.91 ? 28  GLN D CG  1 
ATOM   1109 C  CD  . GLN D 1 29 ? 16.298  -3.384  16.461  0.60 26.76 ? 28  GLN D CD  1 
ATOM   1110 O  OE1 . GLN D 1 29 ? 16.925  -2.441  15.976  0.53 34.62 ? 28  GLN D OE1 1 
ATOM   1111 N  NE2 . GLN D 1 29 ? 16.897  -4.440  16.999  0.53 35.76 ? 28  GLN D NE2 1 
ATOM   1112 N  N   . GLU D 1 30 ? 12.296  -0.598  15.303  1.00 15.30 ? 29  GLU D N   1 
ATOM   1113 C  CA  . GLU D 1 30 ? 11.875  0.633   15.966  1.00 14.73 ? 29  GLU D CA  1 
ATOM   1114 C  C   . GLU D 1 30 ? 10.385  0.604   16.292  1.00 15.61 ? 29  GLU D C   1 
ATOM   1115 O  O   . GLU D 1 30 ? 9.976   0.989   17.397  1.00 15.57 ? 29  GLU D O   1 
ATOM   1116 C  CB  . GLU D 1 30 ? 12.209  1.864   15.118  1.00 15.40 ? 29  GLU D CB  1 
ATOM   1117 C  CG  . GLU D 1 30 ? 13.670  2.035   14.755  1.00 15.01 ? 29  GLU D CG  1 
ATOM   1118 C  CD  . GLU D 1 30 ? 14.551  2.254   15.957  1.00 18.12 ? 29  GLU D CD  1 
ATOM   1119 O  OE1 . GLU D 1 30 ? 14.045  2.806   16.953  1.00 17.95 ? 29  GLU D OE1 1 
ATOM   1120 O  OE2 . GLU D 1 30 ? 15.740  1.880   15.912  1.00 20.09 ? 29  GLU D OE2 1 
ATOM   1121 N  N   . LEU D 1 31 ? 9.559   0.135   15.355  1.00 15.75 ? 30  LEU D N   1 
ATOM   1122 C  CA  . LEU D 1 31 ? 8.124   0.067   15.604  1.00 15.21 ? 30  LEU D CA  1 
ATOM   1123 C  C   . LEU D 1 31 ? 7.815   -0.905  16.740  1.00 18.19 ? 30  LEU D C   1 
ATOM   1124 O  O   . LEU D 1 31 ? 6.955   -0.631  17.591  1.00 16.72 ? 30  LEU D O   1 
ATOM   1125 C  CB  . LEU D 1 31 ? 7.401   -0.318  14.310  1.00 19.02 ? 30  LEU D CB  1 
ATOM   1126 C  CG  . LEU D 1 31 ? 5.876   -0.304  14.336  1.00 20.38 ? 30  LEU D CG  1 
ATOM   1127 C  CD1 . LEU D 1 31 ? 5.337   0.939   15.038  1.00 25.15 ? 30  LEU D CD1 1 
ATOM   1128 C  CD2 . LEU D 1 31 ? 5.354   -0.398  12.905  1.00 21.80 ? 30  LEU D CD2 1 
ATOM   1129 N  N   . ALA D 1 32 ? 8.525   -2.038  16.783  1.00 16.08 ? 31  ALA D N   1 
ATOM   1130 C  CA  . ALA D 1 32 ? 8.331   -2.991  17.875  1.00 17.70 ? 31  ALA D CA  1 
ATOM   1131 C  C   . ALA D 1 32 ? 8.724   -2.375  19.213  1.00 18.79 ? 31  ALA D C   1 
ATOM   1132 O  O   . ALA D 1 32 ? 8.085   -2.639  20.239  1.00 19.48 ? 31  ALA D O   1 
ATOM   1133 C  CB  . ALA D 1 32 ? 9.126   -4.270  17.608  1.00 19.75 ? 31  ALA D CB  1 
ATOM   1134 N  N   . ALA D 1 33 ? 9.768   -1.543  19.221  1.00 15.22 ? 32  ALA D N   1 
ATOM   1135 C  CA  . ALA D 1 33 ? 10.168  -0.855  20.445  1.00 15.86 ? 32  ALA D CA  1 
ATOM   1136 C  C   . ALA D 1 33 ? 9.101   0.137   20.896  1.00 16.49 ? 32  ALA D C   1 
ATOM   1137 O  O   . ALA D 1 33 ? 8.797   0.222   22.092  1.00 17.84 ? 32  ALA D O   1 
ATOM   1138 C  CB  . ALA D 1 33 ? 11.514  -0.168  20.228  1.00 16.30 ? 32  ALA D CB  1 
ATOM   1139 N  N   . ILE D 1 34 ? 8.502   0.871   19.952  1.00 15.87 ? 33  ILE D N   1 
ATOM   1140 C  CA  . ILE D 1 34 ? 7.419   1.811   20.258  1.00 15.69 ? 33  ILE D CA  1 
ATOM   1141 C  C   . ILE D 1 34 ? 6.243   1.097   20.926  1.00 17.47 ? 33  ILE D C   1 
ATOM   1142 O  O   . ILE D 1 34 ? 5.626   1.629   21.866  1.00 18.60 ? 33  ILE D O   1 
ATOM   1143 C  CB  . ILE D 1 34 ? 6.999   2.548   18.970  1.00 16.76 ? 33  ILE D CB  1 
ATOM   1144 C  CG1 . ILE D 1 34 ? 8.063   3.570   18.572  1.00 15.67 ? 33  ILE D CG1 1 
ATOM   1145 C  CG2 . ILE D 1 34 ? 5.631   3.223   19.130  1.00 19.82 ? 33  ILE D CG2 1 
ATOM   1146 C  CD1 . ILE D 1 34 ? 7.917   4.073   17.123  1.00 16.43 ? 33  ILE D CD1 1 
ATOM   1147 N  N   . LYS D 1 35 ? 5.948   -0.131  20.491  1.00 18.97 ? 34  LYS D N   1 
ATOM   1148 C  CA  . LYS D 1 35 ? 4.811   -0.910  20.971  1.00 22.11 ? 34  LYS D CA  1 
ATOM   1149 C  C   . LYS D 1 35 ? 5.160   -1.904  22.074  1.00 27.12 ? 34  LYS D C   1 
ATOM   1150 O  O   . LYS D 1 35 ? 4.274   -2.640  22.527  1.00 32.86 ? 34  LYS D O   1 
ATOM   1151 C  CB  . LYS D 1 35 ? 4.174   -1.662  19.800  1.00 20.03 ? 34  LYS D CB  1 
ATOM   1152 C  CG  . LYS D 1 35 ? 3.634   -0.738  18.729  1.00 22.88 ? 34  LYS D CG  1 
ATOM   1153 C  CD  . LYS D 1 35 ? 3.267   -1.489  17.463  1.00 24.57 ? 34  LYS D CD  1 
ATOM   1154 C  CE  . LYS D 1 35 ? 2.145   -2.476  17.715  1.00 28.67 ? 34  LYS D CE  1 
ATOM   1155 N  NZ  . LYS D 1 35 ? 1.878   -3.300  16.509  1.00 27.82 ? 34  LYS D NZ  1 
ATOM   1156 N  N   . TRP D 1 36 ? 6.409   -1.946  22.523  1.00 28.58 ? 35  TRP D N   1 
ATOM   1157 C  CA  . TRP D 1 36 ? 6.855   -2.984  23.458  1.00 30.42 ? 35  TRP D CA  1 
ATOM   1158 C  C   . TRP D 1 36 ? 6.328   -2.780  24.878  1.00 39.18 ? 35  TRP D C   1 
ATOM   1159 O  O   . TRP D 1 36 ? 6.278   -1.655  25.375  1.00 38.48 ? 35  TRP D O   1 
ATOM   1160 C  CB  . TRP D 1 36 ? 8.385   -3.062  23.470  1.00 30.82 ? 35  TRP D CB  1 
HETATM 1161 CU CU  . CU  E 2 .  ? 17.773  -4.530  -16.738 1.00 19.65 ? 101 CU  A CU  1 
HETATM 1162 O  O   . HOH F 3 .  ? -4.706  5.319   7.125   1.00 29.21 ? 201 HOH A O   1 
HETATM 1163 O  O   . HOH F 3 .  ? -5.373  9.955   15.881  1.00 22.11 ? 202 HOH A O   1 
HETATM 1164 O  O   . HOH F 3 .  ? 8.279   -7.420  -22.237 1.00 28.56 ? 203 HOH A O   1 
HETATM 1165 O  O   . HOH F 3 .  ? 4.471   7.136   -7.159  1.00 26.84 ? 204 HOH A O   1 
HETATM 1166 O  O   . HOH F 3 .  ? 6.240   12.298  8.025   1.00 15.22 ? 205 HOH A O   1 
HETATM 1167 O  O   . HOH F 3 .  ? -2.663  13.140  15.302  1.00 17.15 ? 206 HOH A O   1 
HETATM 1168 O  O   . HOH F 3 .  ? 11.891  14.939  16.024  1.00 36.62 ? 207 HOH A O   1 
HETATM 1169 O  O   . HOH F 3 .  ? -1.480  6.963   5.185   1.00 20.59 ? 208 HOH A O   1 
HETATM 1170 O  O   . HOH F 3 .  ? 4.004   9.802   19.011  1.00 26.51 ? 209 HOH A O   1 
HETATM 1171 O  O   . HOH F 3 .  ? 10.659  5.748   -18.697 1.00 21.64 ? 210 HOH A O   1 
HETATM 1172 O  O   . HOH F 3 .  ? 6.837   -6.295  -28.003 1.00 23.85 ? 211 HOH A O   1 
HETATM 1173 O  O   . HOH F 3 .  ? 0.125   7.279   -1.190  1.00 30.23 ? 212 HOH A O   1 
HETATM 1174 O  O   . HOH F 3 .  ? 5.700   -2.833  -19.364 1.00 30.85 ? 213 HOH A O   1 
HETATM 1175 O  O   . HOH F 3 .  ? 6.196   2.569   -16.367 1.00 32.50 ? 214 HOH A O   1 
HETATM 1176 O  O   . HOH F 3 .  ? 16.329  -1.379  -24.668 1.00 32.05 ? 215 HOH A O   1 
HETATM 1177 O  O   . HOH F 3 .  ? 1.167   1.483   -3.835  1.00 29.38 ? 216 HOH A O   1 
HETATM 1178 O  O   . HOH F 3 .  ? 7.331   8.957   -1.353  1.00 26.22 ? 217 HOH A O   1 
HETATM 1179 O  O   . HOH F 3 .  ? -1.606  12.694  8.412   1.00 30.00 ? 218 HOH A O   1 
HETATM 1180 O  O   . HOH F 3 .  ? 0.912   -0.016  -9.756  1.00 35.64 ? 219 HOH A O   1 
HETATM 1181 O  O   . HOH F 3 .  ? 9.078   5.187   -10.916 1.00 22.38 ? 220 HOH A O   1 
HETATM 1182 O  O   . HOH F 3 .  ? 4.003   11.921  2.271   1.00 23.31 ? 221 HOH A O   1 
HETATM 1183 O  O   . HOH F 3 .  ? 8.393   14.175  2.003   1.00 30.62 ? 222 HOH A O   1 
HETATM 1184 O  O   . HOH F 3 .  ? -1.570  -2.123  -0.371  1.00 36.35 ? 223 HOH A O   1 
HETATM 1185 O  O   . HOH F 3 .  ? 12.216  8.656   -6.489  1.00 30.00 ? 224 HOH A O   1 
HETATM 1186 O  O   . HOH F 3 .  ? -3.459  5.348   -7.014  1.00 36.65 ? 225 HOH A O   1 
HETATM 1187 O  O   . HOH F 3 .  ? 11.790  7.713   -3.274  1.00 28.35 ? 226 HOH A O   1 
HETATM 1188 O  O   . HOH F 3 .  ? 10.261  7.999   -20.158 1.00 31.45 ? 227 HOH A O   1 
HETATM 1189 O  O   . HOH F 3 .  ? 9.625   3.132   -18.695 1.00 29.08 ? 228 HOH A O   1 
HETATM 1190 O  O   . HOH F 3 .  ? 9.230   9.340   -12.931 1.00 22.69 ? 229 HOH A O   1 
HETATM 1191 O  O   . HOH F 3 .  ? 7.530   7.115   -12.200 1.00 30.11 ? 230 HOH A O   1 
HETATM 1192 O  O   . HOH G 3 .  ? 5.735   -4.860  15.802  1.00 29.29 ? 101 HOH B O   1 
HETATM 1193 O  O   . HOH G 3 .  ? -8.614  4.359   18.344  1.00 25.16 ? 102 HOH B O   1 
HETATM 1194 O  O   . HOH G 3 .  ? 7.178   -11.131 -4.393  1.00 29.63 ? 103 HOH B O   1 
HETATM 1195 O  O   . HOH G 3 .  ? 13.929  -15.593 -19.674 1.00 32.81 ? 104 HOH B O   1 
HETATM 1196 O  O   . HOH G 3 .  ? -5.994  0.629   16.637  1.00 28.63 ? 105 HOH B O   1 
HETATM 1197 O  O   . HOH G 3 .  ? 6.464   -4.966  11.909  1.00 38.58 ? 106 HOH B O   1 
HETATM 1198 O  O   . HOH G 3 .  ? -10.069 12.052  22.002  1.00 39.67 ? 107 HOH B O   1 
HETATM 1199 O  O   . HOH G 3 .  ? 0.323   -4.799  9.350   1.00 31.40 ? 108 HOH B O   1 
HETATM 1200 O  O   . HOH G 3 .  ? -0.097  -1.477  15.423  1.00 22.20 ? 109 HOH B O   1 
HETATM 1201 O  O   . HOH G 3 .  ? -4.366  -0.140  10.498  1.00 27.46 ? 110 HOH B O   1 
HETATM 1202 O  O   . HOH G 3 .  ? 3.101   -6.455  -3.749  1.00 28.17 ? 111 HOH B O   1 
HETATM 1203 O  O   . HOH G 3 .  ? 11.039  -10.894 -17.380 1.00 28.87 ? 112 HOH B O   1 
HETATM 1204 O  O   . HOH G 3 .  ? 8.357   -11.438 -11.646 1.00 30.30 ? 113 HOH B O   1 
HETATM 1205 O  O   . HOH G 3 .  ? 6.690   -9.173  1.565   1.00 33.70 ? 114 HOH B O   1 
HETATM 1206 O  O   . HOH G 3 .  ? 19.403  -14.978 -15.174 1.00 26.68 ? 115 HOH B O   1 
HETATM 1207 O  O   . HOH G 3 .  ? 18.854  -15.795 -25.101 1.00 30.54 ? 116 HOH B O   1 
HETATM 1208 O  O   . HOH G 3 .  ? 11.871  -19.255 -14.205 1.00 34.84 ? 117 HOH B O   1 
HETATM 1209 O  O   . HOH G 3 .  ? 0.241   -0.451  -6.202  1.00 36.34 ? 118 HOH B O   1 
HETATM 1210 O  O   . HOH G 3 .  ? -4.788  10.946  11.294  1.00 31.84 ? 119 HOH B O   1 
HETATM 1211 O  O   . HOH G 3 .  ? 17.931  -17.692 -18.201 1.00 26.30 ? 120 HOH B O   1 
HETATM 1212 O  O   . HOH G 3 .  ? 1.289   -5.504  -1.793  1.00 32.21 ? 121 HOH B O   1 
HETATM 1213 O  O   . HOH G 3 .  ? 22.270  -10.608 -10.112 1.00 33.50 ? 122 HOH B O   1 
HETATM 1214 O  O   . HOH G 3 .  ? -4.859  -2.708  11.111  1.00 39.88 ? 123 HOH B O   1 
HETATM 1215 O  O   . HOH H 3 .  ? 11.440  9.421   4.281   1.00 27.10 ? 101 HOH C O   1 
HETATM 1216 O  O   . HOH H 3 .  ? 11.439  1.595   -20.153 1.00 26.52 ? 102 HOH C O   1 
HETATM 1217 O  O   . HOH H 3 .  ? 20.321  5.663   9.344   1.00 26.14 ? 103 HOH C O   1 
HETATM 1218 O  O   . HOH H 3 .  ? 23.836  5.292   -21.222 1.00 33.85 ? 104 HOH C O   1 
HETATM 1219 O  O   . HOH H 3 .  ? 19.477  11.542  -19.405 1.00 33.29 ? 105 HOH C O   1 
HETATM 1220 O  O   . HOH H 3 .  ? 9.877   8.834   -2.455  1.00 31.41 ? 106 HOH C O   1 
HETATM 1221 O  O   . HOH H 3 .  ? 15.271  9.923   -0.808  1.00 16.80 ? 107 HOH C O   1 
HETATM 1222 O  O   . HOH H 3 .  ? 12.888  5.169   -20.158 1.00 24.52 ? 108 HOH C O   1 
HETATM 1223 O  O   . HOH H 3 .  ? 24.018  1.907   -15.839 1.00 30.10 ? 109 HOH C O   1 
HETATM 1224 O  O   . HOH H 3 .  ? 16.144  -1.124  -21.844 1.00 32.85 ? 110 HOH C O   1 
HETATM 1225 O  O   . HOH H 3 .  ? 19.428  8.539   -6.042  1.00 15.23 ? 111 HOH C O   1 
HETATM 1226 O  O   . HOH H 3 .  ? 18.295  9.123   5.035   1.00 30.65 ? 112 HOH C O   1 
HETATM 1227 O  O   . HOH H 3 .  ? 9.959   9.475   26.786  1.00 19.06 ? 113 HOH C O   1 
HETATM 1228 O  O   . HOH H 3 .  ? 12.757  6.418   -6.038  1.00 30.00 ? 114 HOH C O   1 
HETATM 1229 O  O   . HOH H 3 .  ? 20.459  1.567   11.628  1.00 22.30 ? 115 HOH C O   1 
HETATM 1230 O  O   . HOH H 3 .  ? 15.711  0.353   20.114  1.00 25.14 ? 116 HOH C O   1 
HETATM 1231 O  O   . HOH H 3 .  ? 24.851  2.050   -27.451 1.00 26.91 ? 117 HOH C O   1 
HETATM 1232 O  O   . HOH H 3 .  ? 18.582  -5.136  -19.092 1.00 27.35 ? 118 HOH C O   1 
HETATM 1233 O  O   . HOH H 3 .  ? 10.305  16.338  18.604  1.00 32.23 ? 119 HOH C O   1 
HETATM 1234 O  O   . HOH H 3 .  ? 23.516  5.430   3.219   1.00 32.65 ? 120 HOH C O   1 
HETATM 1235 O  O   . HOH H 3 .  ? 8.868   6.974   -8.704  1.00 31.08 ? 121 HOH C O   1 
HETATM 1236 O  O   . HOH H 3 .  ? 7.317   9.896   27.216  1.00 33.68 ? 122 HOH C O   1 
HETATM 1237 O  O   . HOH H 3 .  ? 21.255  -1.513  -30.849 1.00 29.99 ? 123 HOH C O   1 
HETATM 1238 O  O   . HOH H 3 .  ? 19.201  9.094   -3.275  1.00 19.06 ? 124 HOH C O   1 
HETATM 1239 O  O   . HOH H 3 .  ? 10.447  11.029  5.923   1.00 33.60 ? 125 HOH C O   1 
HETATM 1240 O  O   . HOH H 3 .  ? 22.082  7.491   -6.330  1.00 25.09 ? 126 HOH C O   1 
HETATM 1241 O  O   . HOH I 3 .  ? 21.426  2.282   7.558   1.00 29.59 ? 101 HOH D O   1 
HETATM 1242 O  O   . HOH I 3 .  ? 16.510  0.275   14.123  1.00 29.33 ? 102 HOH D O   1 
HETATM 1243 O  O   . HOH I 3 .  ? 21.542  2.317   -5.738  1.00 26.97 ? 103 HOH D O   1 
HETATM 1244 O  O   . HOH I 3 .  ? 22.467  3.860   -1.744  1.00 33.11 ? 104 HOH D O   1 
HETATM 1245 O  O   . HOH I 3 .  ? 6.402   -4.727  20.297  1.00 23.56 ? 105 HOH D O   1 
HETATM 1246 O  O   . HOH I 3 .  ? 7.662   -4.491  14.138  1.00 31.57 ? 106 HOH D O   1 
HETATM 1247 O  O   . HOH I 3 .  ? 23.630  -10.129 -12.201 1.00 24.61 ? 107 HOH D O   1 
HETATM 1248 O  O   . HOH I 3 .  ? 24.295  -1.391  -5.172  1.00 27.02 ? 108 HOH D O   1 
HETATM 1249 O  O   . HOH I 3 .  ? 29.385  -8.920  -15.135 1.00 25.79 ? 109 HOH D O   1 
HETATM 1250 O  O   . HOH I 3 .  ? 31.459  -5.269  -19.506 1.00 24.57 ? 110 HOH D O   1 
HETATM 1251 O  O   . HOH I 3 .  ? 27.775  -4.902  -9.444  1.00 26.64 ? 111 HOH D O   1 
HETATM 1252 O  O   . HOH I 3 .  ? 12.465  -3.969  18.914  1.00 27.67 ? 112 HOH D O   1 
HETATM 1253 O  O   . HOH I 3 .  ? 13.184  -7.041  5.787   1.00 31.16 ? 113 HOH D O   1 
HETATM 1254 O  O   . HOH I 3 .  ? 24.113  -0.741  -2.567  1.00 35.23 ? 114 HOH D O   1 
HETATM 1255 O  O   . HOH I 3 .  ? 13.087  -6.611  12.450  1.00 32.32 ? 115 HOH D O   1 
HETATM 1256 O  O   . HOH I 3 .  ? 18.694  -8.134  3.073   1.00 29.91 ? 116 HOH D O   1 
HETATM 1257 O  O   . HOH I 3 .  ? 30.750  -5.739  -16.775 1.00 32.58 ? 117 HOH D O   1 
HETATM 1258 O  O   . HOH I 3 .  ? 8.768   1.860   24.720  1.00 36.84 ? 118 HOH D O   1 
HETATM 1259 O  O   . HOH I 3 .  ? 18.352  -9.087  -3.240  1.00 34.80 ? 119 HOH D O   1 
HETATM 1260 O  O   . HOH I 3 .  ? 23.901  3.955   -3.555  1.00 41.94 ? 120 HOH D O   1 
HETATM 1261 O  O   . HOH I 3 .  ? 19.228  0.099   13.821  1.00 29.88 ? 121 HOH D O   1 
HETATM 1262 O  O   . HOH I 3 .  ? 24.263  -10.957 -8.171  1.00 37.98 ? 122 HOH D O   1 
# 
