data_8YV3
# 
_entry.id   8YV3 
# 
_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   8YV3         pdb_00008yv3 10.2210/pdb8yv3/pdb 
WWPDB D_1300046425 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-04-02 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8YV3 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-27 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBC 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_contact_author.id 
_pdbx_contact_author.email 
_pdbx_contact_author.name_first 
_pdbx_contact_author.name_last 
_pdbx_contact_author.name_mi 
_pdbx_contact_author.role 
_pdbx_contact_author.identifier_ORCID 
2 sxjbsw007@163.com Xia Yang ? 'principal investigator/group leader' 0000-0003-2360-060X 
3 feisun@ibp.ac.cn  Fei Sun  ? 'principal investigator/group leader' 0000-0002-0351-5144 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Zhu, Y.'  1 ? 
'Yang, X.' 2 ? 
'Sun, F.'  3 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'The heterotrimer structure of peptides derived from human collagen type I' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Zhu, Y.'  1 ? 
primary 'Yang, X.' 2 ? 
primary 'Sun, F.'  3 ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer syn 'Collagen alpha-1(I) chain' 2933.180 2   ? ? ? ? 
2 polymer syn 'Collagen alpha-2(I) chain' 2944.246 4   ? ? ? ? 
3 water   nat water                       18.015   306 ? ? ? ? 
# 
loop_
_entity_name_com.entity_id 
_entity_name_com.name 
1 'Alpha-1 type I collagen' 
2 'Alpha-2 type I collagen' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no yes '(ACE)PVGARGPAGPQGPRGDKGETGEQGDRGIKG'         XPVGARGPAGPQGPRGDKGETGEQGDRGIKG A,D     ? 
2 'polypeptide(L)' no yes '(ACE)AVGPRGPSGPQGIRGDKGE(HYP)GEKGPRGL(HYP)G' XAVGPRGPSGPQGIRGDKGEPGEKGPRGLPG B,C,E,F ? 
# 
_pdbx_entity_nonpoly.entity_id   3 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  ACE n 
1 2  PRO n 
1 3  VAL n 
1 4  GLY n 
1 5  ALA n 
1 6  ARG n 
1 7  GLY n 
1 8  PRO n 
1 9  ALA n 
1 10 GLY n 
1 11 PRO n 
1 12 GLN n 
1 13 GLY n 
1 14 PRO n 
1 15 ARG n 
1 16 GLY n 
1 17 ASP n 
1 18 LYS n 
1 19 GLY n 
1 20 GLU n 
1 21 THR n 
1 22 GLY n 
1 23 GLU n 
1 24 GLN n 
1 25 GLY n 
1 26 ASP n 
1 27 ARG n 
1 28 GLY n 
1 29 ILE n 
1 30 LYS n 
1 31 GLY n 
2 1  ACE n 
2 2  ALA n 
2 3  VAL n 
2 4  GLY n 
2 5  PRO n 
2 6  ARG n 
2 7  GLY n 
2 8  PRO n 
2 9  SER n 
2 10 GLY n 
2 11 PRO n 
2 12 GLN n 
2 13 GLY n 
2 14 ILE n 
2 15 ARG n 
2 16 GLY n 
2 17 ASP n 
2 18 LYS n 
2 19 GLY n 
2 20 GLU n 
2 21 HYP n 
2 22 GLY n 
2 23 GLU n 
2 24 LYS n 
2 25 GLY n 
2 26 PRO n 
2 27 ARG n 
2 28 GLY n 
2 29 LEU n 
2 30 HYP n 
2 31 GLY n 
# 
loop_
_pdbx_entity_src_syn.entity_id 
_pdbx_entity_src_syn.pdbx_src_id 
_pdbx_entity_src_syn.pdbx_alt_source_flag 
_pdbx_entity_src_syn.pdbx_beg_seq_num 
_pdbx_entity_src_syn.pdbx_end_seq_num 
_pdbx_entity_src_syn.organism_scientific 
_pdbx_entity_src_syn.organism_common_name 
_pdbx_entity_src_syn.ncbi_taxonomy_id 
_pdbx_entity_src_syn.details 
1 1 sample 1 31 'Homo sapiens' human 9606 ? 
2 1 sample 1 31 'Homo sapiens' human 9606 ? 
# 
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  
ARG 'L-peptide linking' y ARGININE         ?              'C6 H15 N4 O2 1' 175.209 
ASP 'L-peptide linking' y 'ASPARTIC ACID'  ?              'C4 H7 N O4'     133.103 
GLN 'L-peptide linking' y GLUTAMINE        ?              'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'  ?              'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE          ?              'C2 H5 N O2'     75.067  
HOH non-polymer         . WATER            ?              'H2 O'           18.015  
HYP 'L-peptide linking' n 4-HYDROXYPROLINE HYDROXYPROLINE 'C5 H9 N O3'     131.130 
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 
PRO 'L-peptide linking' y PROLINE          ?              'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE           ?              'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE        ?              'C4 H9 N O3'     119.119 
VAL 'L-peptide linking' y VALINE           ?              'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1  ACE 1  0  0  ACE ACE A . n 
A 1 2  PRO 2  1  1  PRO PRO A . n 
A 1 3  VAL 3  2  2  VAL VAL A . n 
A 1 4  GLY 4  3  3  GLY GLY A . n 
A 1 5  ALA 5  4  4  ALA ALA A . n 
A 1 6  ARG 6  5  5  ARG ARG A . n 
A 1 7  GLY 7  6  6  GLY GLY A . n 
A 1 8  PRO 8  7  7  PRO PRO A . n 
A 1 9  ALA 9  8  8  ALA ALA A . n 
A 1 10 GLY 10 9  9  GLY GLY A . n 
A 1 11 PRO 11 10 10 PRO PRO A . n 
A 1 12 GLN 12 11 11 GLN GLN A . n 
A 1 13 GLY 13 12 12 GLY GLY A . n 
A 1 14 PRO 14 13 13 PRO PRO A . n 
A 1 15 ARG 15 14 14 ARG ARG A . n 
A 1 16 GLY 16 15 15 GLY GLY A . n 
A 1 17 ASP 17 16 16 ASP ASP A . n 
A 1 18 LYS 18 17 17 LYS LYS A . n 
A 1 19 GLY 19 18 18 GLY GLY A . n 
A 1 20 GLU 20 19 19 GLU GLU A . n 
A 1 21 THR 21 20 20 THR THR A . n 
A 1 22 GLY 22 21 21 GLY GLY A . n 
A 1 23 GLU 23 22 22 GLU GLU A . n 
A 1 24 GLN 24 23 23 GLN GLN A . n 
A 1 25 GLY 25 24 24 GLY GLY A . n 
A 1 26 ASP 26 25 25 ASP ASP A . n 
A 1 27 ARG 27 26 26 ARG ARG A . n 
A 1 28 GLY 28 27 27 GLY GLY A . n 
A 1 29 ILE 29 28 28 ILE ILE A . n 
A 1 30 LYS 30 29 29 LYS LYS A . n 
A 1 31 GLY 31 30 30 GLY GLY A . n 
B 2 1  ACE 1  0  0  ACE ACE B . n 
B 2 2  ALA 2  1  1  ALA ALA B . n 
B 2 3  VAL 3  2  2  VAL VAL B . n 
B 2 4  GLY 4  3  3  GLY GLY B . n 
B 2 5  PRO 5  4  4  PRO PRO B . n 
B 2 6  ARG 6  5  5  ARG ARG B . n 
B 2 7  GLY 7  6  6  GLY GLY B . n 
B 2 8  PRO 8  7  7  PRO PRO B . n 
B 2 9  SER 9  8  8  SER SER B . n 
B 2 10 GLY 10 9  9  GLY GLY B . n 
B 2 11 PRO 11 10 10 PRO PRO B . n 
B 2 12 GLN 12 11 11 GLN GLN B . n 
B 2 13 GLY 13 12 12 GLY GLY B . n 
B 2 14 ILE 14 13 13 ILE ILE B . n 
B 2 15 ARG 15 14 14 ARG ARG B . n 
B 2 16 GLY 16 15 15 GLY GLY B . n 
B 2 17 ASP 17 16 16 ASP ASP B . n 
B 2 18 LYS 18 17 17 LYS LYS B . n 
B 2 19 GLY 19 18 18 GLY GLY B . n 
B 2 20 GLU 20 19 19 GLU GLU B . n 
B 2 21 HYP 21 20 20 HYP HYP B . n 
B 2 22 GLY 22 21 21 GLY GLY B . n 
B 2 23 GLU 23 22 22 GLU GLU B . n 
B 2 24 LYS 24 23 23 LYS LYS B . n 
B 2 25 GLY 25 24 24 GLY GLY B . n 
B 2 26 PRO 26 25 25 PRO PRO B . n 
B 2 27 ARG 27 26 26 ARG ARG B . n 
B 2 28 GLY 28 27 27 GLY GLY B . n 
B 2 29 LEU 29 28 28 LEU LEU B . n 
B 2 30 HYP 30 29 29 HYP HYP B . n 
B 2 31 GLY 31 30 30 GLY GLY B . n 
C 2 1  ACE 1  0  ?  ?   ?   C . n 
C 2 2  ALA 2  1  1  ALA ALA C . n 
C 2 3  VAL 3  2  2  VAL VAL C . n 
C 2 4  GLY 4  3  3  GLY GLY C . n 
C 2 5  PRO 5  4  4  PRO PRO C . n 
C 2 6  ARG 6  5  5  ARG ARG C . n 
C 2 7  GLY 7  6  6  GLY GLY C . n 
C 2 8  PRO 8  7  7  PRO PRO C . n 
C 2 9  SER 9  8  8  SER SER C . n 
C 2 10 GLY 10 9  9  GLY GLY C . n 
C 2 11 PRO 11 10 10 PRO PRO C . n 
C 2 12 GLN 12 11 11 GLN GLN C . n 
C 2 13 GLY 13 12 12 GLY GLY C . n 
C 2 14 ILE 14 13 13 ILE ILE C . n 
C 2 15 ARG 15 14 14 ARG ARG C . n 
C 2 16 GLY 16 15 15 GLY GLY C . n 
C 2 17 ASP 17 16 16 ASP ASP C . n 
C 2 18 LYS 18 17 17 LYS LYS C . n 
C 2 19 GLY 19 18 18 GLY GLY C . n 
C 2 20 GLU 20 19 19 GLU GLU C . n 
C 2 21 HYP 21 20 20 HYP HYP C . n 
C 2 22 GLY 22 21 21 GLY GLY C . n 
C 2 23 GLU 23 22 22 GLU GLU C . n 
C 2 24 LYS 24 23 23 LYS LYS C . n 
C 2 25 GLY 25 24 24 GLY GLY C . n 
C 2 26 PRO 26 25 25 PRO PRO C . n 
C 2 27 ARG 27 26 26 ARG ARG C . n 
C 2 28 GLY 28 27 27 GLY GLY C . n 
C 2 29 LEU 29 28 28 LEU LEU C . n 
C 2 30 HYP 30 29 29 HYP HYP C . n 
C 2 31 GLY 31 30 30 GLY GLY C . n 
D 1 1  ACE 1  0  0  ACE ACE D . n 
D 1 2  PRO 2  1  1  PRO PRO D . n 
D 1 3  VAL 3  2  2  VAL VAL D . n 
D 1 4  GLY 4  3  3  GLY GLY D . n 
D 1 5  ALA 5  4  4  ALA ALA D . n 
D 1 6  ARG 6  5  5  ARG ARG D . n 
D 1 7  GLY 7  6  6  GLY GLY D . n 
D 1 8  PRO 8  7  7  PRO PRO D . n 
D 1 9  ALA 9  8  8  ALA ALA D . n 
D 1 10 GLY 10 9  9  GLY GLY D . n 
D 1 11 PRO 11 10 10 PRO PRO D . n 
D 1 12 GLN 12 11 11 GLN GLN D . n 
D 1 13 GLY 13 12 12 GLY GLY D . n 
D 1 14 PRO 14 13 13 PRO PRO D . n 
D 1 15 ARG 15 14 14 ARG ARG D . n 
D 1 16 GLY 16 15 15 GLY GLY D . n 
D 1 17 ASP 17 16 16 ASP ASP D . n 
D 1 18 LYS 18 17 17 LYS LYS D . n 
D 1 19 GLY 19 18 18 GLY GLY D . n 
D 1 20 GLU 20 19 19 GLU GLU D . n 
D 1 21 THR 21 20 20 THR THR D . n 
D 1 22 GLY 22 21 21 GLY GLY D . n 
D 1 23 GLU 23 22 22 GLU GLU D . n 
D 1 24 GLN 24 23 23 GLN GLN D . n 
D 1 25 GLY 25 24 24 GLY GLY D . n 
D 1 26 ASP 26 25 25 ASP ASP D . n 
D 1 27 ARG 27 26 26 ARG ARG D . n 
D 1 28 GLY 28 27 27 GLY GLY D . n 
D 1 29 ILE 29 28 28 ILE ILE D . n 
D 1 30 LYS 30 29 29 LYS LYS D . n 
D 1 31 GLY 31 30 30 GLY GLY D . n 
E 2 1  ACE 1  0  ?  ?   ?   E . n 
E 2 2  ALA 2  1  1  ALA ALA E . n 
E 2 3  VAL 3  2  2  VAL VAL E . n 
E 2 4  GLY 4  3  3  GLY GLY E . n 
E 2 5  PRO 5  4  4  PRO PRO E . n 
E 2 6  ARG 6  5  5  ARG ARG E . n 
E 2 7  GLY 7  6  6  GLY GLY E . n 
E 2 8  PRO 8  7  7  PRO PRO E . n 
E 2 9  SER 9  8  8  SER SER E . n 
E 2 10 GLY 10 9  9  GLY GLY E . n 
E 2 11 PRO 11 10 10 PRO PRO E . n 
E 2 12 GLN 12 11 11 GLN GLN E . n 
E 2 13 GLY 13 12 12 GLY GLY E . n 
E 2 14 ILE 14 13 13 ILE ILE E . n 
E 2 15 ARG 15 14 14 ARG ARG E . n 
E 2 16 GLY 16 15 15 GLY GLY E . n 
E 2 17 ASP 17 16 16 ASP ASP E . n 
E 2 18 LYS 18 17 17 LYS LYS E . n 
E 2 19 GLY 19 18 18 GLY GLY E . n 
E 2 20 GLU 20 19 19 GLU GLU E . n 
E 2 21 HYP 21 20 20 HYP HYP E . n 
E 2 22 GLY 22 21 21 GLY GLY E . n 
E 2 23 GLU 23 22 22 GLU GLU E . n 
E 2 24 LYS 24 23 23 LYS LYS E . n 
E 2 25 GLY 25 24 24 GLY GLY E . n 
E 2 26 PRO 26 25 25 PRO PRO E . n 
E 2 27 ARG 27 26 26 ARG ARG E . n 
E 2 28 GLY 28 27 27 GLY GLY E . n 
E 2 29 LEU 29 28 28 LEU LEU E . n 
E 2 30 HYP 30 29 29 HYP HYP E . n 
E 2 31 GLY 31 30 30 GLY GLY E . n 
F 2 1  ACE 1  0  0  ACE ACE F . n 
F 2 2  ALA 2  1  1  ALA ALA F . n 
F 2 3  VAL 3  2  2  VAL VAL F . n 
F 2 4  GLY 4  3  3  GLY GLY F . n 
F 2 5  PRO 5  4  4  PRO PRO F . n 
F 2 6  ARG 6  5  5  ARG ARG F . n 
F 2 7  GLY 7  6  6  GLY GLY F . n 
F 2 8  PRO 8  7  7  PRO PRO F . n 
F 2 9  SER 9  8  8  SER SER F . n 
F 2 10 GLY 10 9  9  GLY GLY F . n 
F 2 11 PRO 11 10 10 PRO PRO F . n 
F 2 12 GLN 12 11 11 GLN GLN F . n 
F 2 13 GLY 13 12 12 GLY GLY F . n 
F 2 14 ILE 14 13 13 ILE ILE F . n 
F 2 15 ARG 15 14 14 ARG ARG F . n 
F 2 16 GLY 16 15 15 GLY GLY F . n 
F 2 17 ASP 17 16 16 ASP ASP F . n 
F 2 18 LYS 18 17 17 LYS LYS F . n 
F 2 19 GLY 19 18 18 GLY GLY F . n 
F 2 20 GLU 20 19 19 GLU GLU F . n 
F 2 21 HYP 21 20 20 HYP HYP F . n 
F 2 22 GLY 22 21 21 GLY GLY F . n 
F 2 23 GLU 23 22 22 GLU GLU F . n 
F 2 24 LYS 24 23 23 LYS LYS F . n 
F 2 25 GLY 25 24 24 GLY GLY F . n 
F 2 26 PRO 26 25 25 PRO PRO F . n 
F 2 27 ARG 27 26 26 ARG ARG F . n 
F 2 28 GLY 28 27 27 GLY GLY F . n 
F 2 29 LEU 29 28 28 LEU LEU F . n 
F 2 30 HYP 30 29 29 HYP HYP F . n 
F 2 31 GLY 31 30 30 GLY GLY F . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
G 3 HOH 1  101 58  HOH HOH A . 
G 3 HOH 2  102 131 HOH HOH A . 
G 3 HOH 3  103 14  HOH HOH A . 
G 3 HOH 4  104 56  HOH HOH A . 
G 3 HOH 5  105 266 HOH HOH A . 
G 3 HOH 6  106 142 HOH HOH A . 
G 3 HOH 7  107 247 HOH HOH A . 
G 3 HOH 8  108 148 HOH HOH A . 
G 3 HOH 9  109 183 HOH HOH A . 
G 3 HOH 10 110 207 HOH HOH A . 
G 3 HOH 11 111 141 HOH HOH A . 
G 3 HOH 12 112 96  HOH HOH A . 
G 3 HOH 13 113 11  HOH HOH A . 
G 3 HOH 14 114 251 HOH HOH A . 
G 3 HOH 15 115 136 HOH HOH A . 
G 3 HOH 16 116 22  HOH HOH A . 
G 3 HOH 17 117 15  HOH HOH A . 
G 3 HOH 18 118 31  HOH HOH A . 
G 3 HOH 19 119 305 HOH HOH A . 
G 3 HOH 20 120 295 HOH HOH A . 
G 3 HOH 21 121 72  HOH HOH A . 
G 3 HOH 22 122 34  HOH HOH A . 
G 3 HOH 23 123 95  HOH HOH A . 
G 3 HOH 24 124 65  HOH HOH A . 
G 3 HOH 25 125 137 HOH HOH A . 
G 3 HOH 26 126 159 HOH HOH A . 
G 3 HOH 27 127 9   HOH HOH A . 
G 3 HOH 28 128 258 HOH HOH A . 
G 3 HOH 29 129 4   HOH HOH A . 
G 3 HOH 30 130 124 HOH HOH A . 
G 3 HOH 31 131 70  HOH HOH A . 
G 3 HOH 32 132 12  HOH HOH A . 
G 3 HOH 33 133 110 HOH HOH A . 
G 3 HOH 34 134 203 HOH HOH A . 
G 3 HOH 35 135 144 HOH HOH A . 
G 3 HOH 36 136 176 HOH HOH A . 
G 3 HOH 37 137 236 HOH HOH A . 
G 3 HOH 38 138 209 HOH HOH A . 
G 3 HOH 39 139 123 HOH HOH A . 
G 3 HOH 40 140 154 HOH HOH A . 
G 3 HOH 41 141 252 HOH HOH A . 
G 3 HOH 42 142 253 HOH HOH A . 
G 3 HOH 43 143 193 HOH HOH A . 
G 3 HOH 44 144 1   HOH HOH A . 
G 3 HOH 45 145 37  HOH HOH A . 
G 3 HOH 46 146 271 HOH HOH A . 
G 3 HOH 47 147 29  HOH HOH A . 
G 3 HOH 48 148 68  HOH HOH A . 
G 3 HOH 49 149 205 HOH HOH A . 
G 3 HOH 50 150 121 HOH HOH A . 
G 3 HOH 51 151 172 HOH HOH A . 
G 3 HOH 52 152 198 HOH HOH A . 
G 3 HOH 53 153 234 HOH HOH A . 
G 3 HOH 54 154 292 HOH HOH A . 
G 3 HOH 55 155 302 HOH HOH A . 
H 3 HOH 1  101 163 HOH HOH B . 
H 3 HOH 2  102 260 HOH HOH B . 
H 3 HOH 3  103 119 HOH HOH B . 
H 3 HOH 4  104 164 HOH HOH B . 
H 3 HOH 5  105 177 HOH HOH B . 
H 3 HOH 6  106 232 HOH HOH B . 
H 3 HOH 7  107 73  HOH HOH B . 
H 3 HOH 8  108 18  HOH HOH B . 
H 3 HOH 9  109 168 HOH HOH B . 
H 3 HOH 10 110 47  HOH HOH B . 
H 3 HOH 11 111 274 HOH HOH B . 
H 3 HOH 12 112 82  HOH HOH B . 
H 3 HOH 13 113 2   HOH HOH B . 
H 3 HOH 14 114 201 HOH HOH B . 
H 3 HOH 15 115 20  HOH HOH B . 
H 3 HOH 16 116 43  HOH HOH B . 
H 3 HOH 17 117 187 HOH HOH B . 
H 3 HOH 18 118 16  HOH HOH B . 
H 3 HOH 19 119 149 HOH HOH B . 
H 3 HOH 20 120 202 HOH HOH B . 
H 3 HOH 21 121 219 HOH HOH B . 
H 3 HOH 22 122 62  HOH HOH B . 
H 3 HOH 23 123 128 HOH HOH B . 
H 3 HOH 24 124 265 HOH HOH B . 
H 3 HOH 25 125 188 HOH HOH B . 
H 3 HOH 26 126 170 HOH HOH B . 
H 3 HOH 27 127 107 HOH HOH B . 
H 3 HOH 28 128 69  HOH HOH B . 
H 3 HOH 29 129 35  HOH HOH B . 
H 3 HOH 30 130 23  HOH HOH B . 
H 3 HOH 31 131 228 HOH HOH B . 
H 3 HOH 32 132 26  HOH HOH B . 
H 3 HOH 33 133 189 HOH HOH B . 
H 3 HOH 34 134 261 HOH HOH B . 
H 3 HOH 35 135 161 HOH HOH B . 
H 3 HOH 36 136 63  HOH HOH B . 
H 3 HOH 37 137 158 HOH HOH B . 
H 3 HOH 38 138 94  HOH HOH B . 
H 3 HOH 39 139 44  HOH HOH B . 
H 3 HOH 40 140 83  HOH HOH B . 
H 3 HOH 41 141 245 HOH HOH B . 
H 3 HOH 42 142 112 HOH HOH B . 
H 3 HOH 43 143 301 HOH HOH B . 
H 3 HOH 44 144 244 HOH HOH B . 
H 3 HOH 45 145 93  HOH HOH B . 
H 3 HOH 46 146 226 HOH HOH B . 
I 3 HOH 1  101 150 HOH HOH C . 
I 3 HOH 2  102 64  HOH HOH C . 
I 3 HOH 3  103 48  HOH HOH C . 
I 3 HOH 4  104 81  HOH HOH C . 
I 3 HOH 5  105 132 HOH HOH C . 
I 3 HOH 6  106 77  HOH HOH C . 
I 3 HOH 7  107 111 HOH HOH C . 
I 3 HOH 8  108 262 HOH HOH C . 
I 3 HOH 9  109 243 HOH HOH C . 
I 3 HOH 10 110 36  HOH HOH C . 
I 3 HOH 11 111 113 HOH HOH C . 
I 3 HOH 12 112 67  HOH HOH C . 
I 3 HOH 13 113 61  HOH HOH C . 
I 3 HOH 14 114 74  HOH HOH C . 
I 3 HOH 15 115 157 HOH HOH C . 
I 3 HOH 16 116 90  HOH HOH C . 
I 3 HOH 17 117 139 HOH HOH C . 
I 3 HOH 18 118 55  HOH HOH C . 
I 3 HOH 19 119 283 HOH HOH C . 
I 3 HOH 20 120 287 HOH HOH C . 
I 3 HOH 21 121 3   HOH HOH C . 
I 3 HOH 22 122 181 HOH HOH C . 
I 3 HOH 23 123 115 HOH HOH C . 
I 3 HOH 24 124 98  HOH HOH C . 
I 3 HOH 25 125 257 HOH HOH C . 
I 3 HOH 26 126 104 HOH HOH C . 
I 3 HOH 27 127 102 HOH HOH C . 
I 3 HOH 28 128 270 HOH HOH C . 
I 3 HOH 29 129 288 HOH HOH C . 
I 3 HOH 30 130 133 HOH HOH C . 
I 3 HOH 31 131 60  HOH HOH C . 
I 3 HOH 32 132 264 HOH HOH C . 
I 3 HOH 33 133 152 HOH HOH C . 
I 3 HOH 34 134 178 HOH HOH C . 
I 3 HOH 35 135 223 HOH HOH C . 
I 3 HOH 36 136 216 HOH HOH C . 
I 3 HOH 37 137 235 HOH HOH C . 
I 3 HOH 38 138 299 HOH HOH C . 
I 3 HOH 39 139 89  HOH HOH C . 
I 3 HOH 40 140 214 HOH HOH C . 
I 3 HOH 41 141 267 HOH HOH C . 
I 3 HOH 42 142 156 HOH HOH C . 
I 3 HOH 43 143 224 HOH HOH C . 
I 3 HOH 44 144 225 HOH HOH C . 
I 3 HOH 45 145 200 HOH HOH C . 
I 3 HOH 46 146 195 HOH HOH C . 
J 3 HOH 1  101 279 HOH HOH D . 
J 3 HOH 2  102 237 HOH HOH D . 
J 3 HOH 3  103 24  HOH HOH D . 
J 3 HOH 4  104 145 HOH HOH D . 
J 3 HOH 5  105 162 HOH HOH D . 
J 3 HOH 6  106 27  HOH HOH D . 
J 3 HOH 7  107 30  HOH HOH D . 
J 3 HOH 8  108 80  HOH HOH D . 
J 3 HOH 9  109 40  HOH HOH D . 
J 3 HOH 10 110 39  HOH HOH D . 
J 3 HOH 11 111 10  HOH HOH D . 
J 3 HOH 12 112 250 HOH HOH D . 
J 3 HOH 13 113 91  HOH HOH D . 
J 3 HOH 14 114 114 HOH HOH D . 
J 3 HOH 15 115 49  HOH HOH D . 
J 3 HOH 16 116 99  HOH HOH D . 
J 3 HOH 17 117 46  HOH HOH D . 
J 3 HOH 18 118 117 HOH HOH D . 
J 3 HOH 19 119 33  HOH HOH D . 
J 3 HOH 20 120 71  HOH HOH D . 
J 3 HOH 21 121 92  HOH HOH D . 
J 3 HOH 22 122 57  HOH HOH D . 
J 3 HOH 23 123 140 HOH HOH D . 
J 3 HOH 24 124 103 HOH HOH D . 
J 3 HOH 25 125 45  HOH HOH D . 
J 3 HOH 26 126 84  HOH HOH D . 
J 3 HOH 27 127 255 HOH HOH D . 
J 3 HOH 28 128 6   HOH HOH D . 
J 3 HOH 29 129 28  HOH HOH D . 
J 3 HOH 30 130 51  HOH HOH D . 
J 3 HOH 31 131 42  HOH HOH D . 
J 3 HOH 32 132 100 HOH HOH D . 
J 3 HOH 33 133 41  HOH HOH D . 
J 3 HOH 34 134 8   HOH HOH D . 
J 3 HOH 35 135 169 HOH HOH D . 
J 3 HOH 36 136 239 HOH HOH D . 
J 3 HOH 37 137 242 HOH HOH D . 
J 3 HOH 38 138 221 HOH HOH D . 
J 3 HOH 39 139 109 HOH HOH D . 
J 3 HOH 40 140 280 HOH HOH D . 
J 3 HOH 41 141 238 HOH HOH D . 
J 3 HOH 42 142 217 HOH HOH D . 
J 3 HOH 43 143 180 HOH HOH D . 
J 3 HOH 44 144 233 HOH HOH D . 
J 3 HOH 45 145 194 HOH HOH D . 
J 3 HOH 46 146 160 HOH HOH D . 
J 3 HOH 47 147 210 HOH HOH D . 
J 3 HOH 48 148 300 HOH HOH D . 
J 3 HOH 49 149 32  HOH HOH D . 
J 3 HOH 50 150 254 HOH HOH D . 
J 3 HOH 51 151 143 HOH HOH D . 
J 3 HOH 52 152 86  HOH HOH D . 
J 3 HOH 53 153 281 HOH HOH D . 
J 3 HOH 54 154 87  HOH HOH D . 
J 3 HOH 55 155 21  HOH HOH D . 
J 3 HOH 56 156 273 HOH HOH D . 
J 3 HOH 57 157 294 HOH HOH D . 
J 3 HOH 58 158 197 HOH HOH D . 
J 3 HOH 59 159 174 HOH HOH D . 
J 3 HOH 60 160 275 HOH HOH D . 
J 3 HOH 61 161 215 HOH HOH D . 
J 3 HOH 62 162 297 HOH HOH D . 
K 3 HOH 1  101 248 HOH HOH E . 
K 3 HOH 2  102 120 HOH HOH E . 
K 3 HOH 3  103 191 HOH HOH E . 
K 3 HOH 4  104 122 HOH HOH E . 
K 3 HOH 5  105 296 HOH HOH E . 
K 3 HOH 6  106 196 HOH HOH E . 
K 3 HOH 7  107 304 HOH HOH E . 
K 3 HOH 8  108 192 HOH HOH E . 
K 3 HOH 9  109 59  HOH HOH E . 
K 3 HOH 10 110 5   HOH HOH E . 
K 3 HOH 11 111 19  HOH HOH E . 
K 3 HOH 12 112 66  HOH HOH E . 
K 3 HOH 13 113 101 HOH HOH E . 
K 3 HOH 14 114 208 HOH HOH E . 
K 3 HOH 15 115 17  HOH HOH E . 
K 3 HOH 16 116 85  HOH HOH E . 
K 3 HOH 17 117 125 HOH HOH E . 
K 3 HOH 18 118 106 HOH HOH E . 
K 3 HOH 19 119 171 HOH HOH E . 
K 3 HOH 20 120 185 HOH HOH E . 
K 3 HOH 21 121 134 HOH HOH E . 
K 3 HOH 22 122 284 HOH HOH E . 
K 3 HOH 23 123 54  HOH HOH E . 
K 3 HOH 24 124 108 HOH HOH E . 
K 3 HOH 25 125 38  HOH HOH E . 
K 3 HOH 26 126 211 HOH HOH E . 
K 3 HOH 27 127 167 HOH HOH E . 
K 3 HOH 28 128 277 HOH HOH E . 
K 3 HOH 29 129 263 HOH HOH E . 
K 3 HOH 30 130 220 HOH HOH E . 
K 3 HOH 31 131 118 HOH HOH E . 
K 3 HOH 32 132 97  HOH HOH E . 
K 3 HOH 33 133 204 HOH HOH E . 
K 3 HOH 34 134 166 HOH HOH E . 
K 3 HOH 35 135 213 HOH HOH E . 
K 3 HOH 36 136 291 HOH HOH E . 
K 3 HOH 37 137 199 HOH HOH E . 
K 3 HOH 38 138 249 HOH HOH E . 
K 3 HOH 39 139 79  HOH HOH E . 
K 3 HOH 40 140 146 HOH HOH E . 
K 3 HOH 41 141 230 HOH HOH E . 
K 3 HOH 42 142 306 HOH HOH E . 
K 3 HOH 43 143 286 HOH HOH E . 
K 3 HOH 44 144 212 HOH HOH E . 
K 3 HOH 45 145 218 HOH HOH E . 
K 3 HOH 46 146 289 HOH HOH E . 
K 3 HOH 47 147 184 HOH HOH E . 
K 3 HOH 48 148 272 HOH HOH E . 
L 3 HOH 1  101 246 HOH HOH F . 
L 3 HOH 2  102 240 HOH HOH F . 
L 3 HOH 3  103 78  HOH HOH F . 
L 3 HOH 4  104 127 HOH HOH F . 
L 3 HOH 5  105 165 HOH HOH F . 
L 3 HOH 6  106 105 HOH HOH F . 
L 3 HOH 7  107 173 HOH HOH F . 
L 3 HOH 8  108 151 HOH HOH F . 
L 3 HOH 9  109 130 HOH HOH F . 
L 3 HOH 10 110 129 HOH HOH F . 
L 3 HOH 11 111 282 HOH HOH F . 
L 3 HOH 12 112 76  HOH HOH F . 
L 3 HOH 13 113 13  HOH HOH F . 
L 3 HOH 14 114 182 HOH HOH F . 
L 3 HOH 15 115 147 HOH HOH F . 
L 3 HOH 16 116 190 HOH HOH F . 
L 3 HOH 17 117 256 HOH HOH F . 
L 3 HOH 18 118 269 HOH HOH F . 
L 3 HOH 19 119 53  HOH HOH F . 
L 3 HOH 20 120 206 HOH HOH F . 
L 3 HOH 21 121 116 HOH HOH F . 
L 3 HOH 22 122 135 HOH HOH F . 
L 3 HOH 23 123 50  HOH HOH F . 
L 3 HOH 24 124 222 HOH HOH F . 
L 3 HOH 25 125 52  HOH HOH F . 
L 3 HOH 26 126 25  HOH HOH F . 
L 3 HOH 27 127 175 HOH HOH F . 
L 3 HOH 28 128 186 HOH HOH F . 
L 3 HOH 29 129 179 HOH HOH F . 
L 3 HOH 30 130 7   HOH HOH F . 
L 3 HOH 31 131 75  HOH HOH F . 
L 3 HOH 32 132 231 HOH HOH F . 
L 3 HOH 33 133 278 HOH HOH F . 
L 3 HOH 34 134 241 HOH HOH F . 
L 3 HOH 35 135 303 HOH HOH F . 
L 3 HOH 36 136 229 HOH HOH F . 
L 3 HOH 37 137 138 HOH HOH F . 
L 3 HOH 38 138 276 HOH HOH F . 
L 3 HOH 39 139 298 HOH HOH F . 
L 3 HOH 40 140 285 HOH HOH F . 
L 3 HOH 41 141 290 HOH HOH F . 
L 3 HOH 42 142 153 HOH HOH F . 
L 3 HOH 43 143 88  HOH HOH F . 
L 3 HOH 44 144 293 HOH HOH F . 
L 3 HOH 45 145 259 HOH HOH F . 
L 3 HOH 46 146 126 HOH HOH F . 
L 3 HOH 47 147 227 HOH HOH F . 
L 3 HOH 48 148 155 HOH HOH F . 
L 3 HOH 49 149 268 HOH HOH F . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? '(1.20.1_4487: ???)' 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                    2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? BALBES  ? ? ? .                    4 
# 
_cell.angle_alpha                  82.17 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   77.73 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  69.64 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8YV3 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     30.490 
_cell.length_a_esd                 ? 
_cell.length_b                     33.043 
_cell.length_b_esd                 ? 
_cell.length_c                     38.519 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_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                         8YV3 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                1 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8YV3 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.00 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          38.62 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;0.2 M Ammonium Sulfate.
0.1 M Tris:HCI pH 8.5
25%(w/v) PEG 3350
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            289 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         RIGAKU 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-01-30 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.5418 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU FR-X' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.5418 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8YV3 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.68 
_reflns.d_resolution_low                               30.91 
_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                                     11231 
_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                           71.65 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          19.86 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.68 
_reflns_shell.d_res_low                                     1.74 
_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                             220 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.81 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8YV3 
_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                            1.68 
_refine.ls_d_res_low                             30.91 
_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                     11222 
_refine.ls_number_reflns_R_free                  530 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    71.66 
_refine.ls_percent_reflns_R_free                 4.72 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1954 
_refine.ls_R_factor_R_free                       0.2332 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1935 
_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                          2.00 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 27.22 
_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                            0.19 
_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                       1.68 
_refine_hist.d_res_low                        30.91 
_refine_hist.number_atoms_solvent             306 
_refine_hist.number_atoms_total               1540 
_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        1234 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_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' ? 0.004  ? 1286 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.756  ? 1714 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 13.037 ? 216  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.041  ? 149  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.009  ? 251  ? 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' 1.68 1.85  . . 33  861  23.00 . . . . 0.2796 . . . . . . . . . . . 0.3815 
'X-RAY DIFFRACTION' 1.85 2.12  . . 134 2758 74.00 . . . . 0.2160 . . . . . . . . . . . 0.2697 
'X-RAY DIFFRACTION' 2.12 2.67  . . 188 3472 94.00 . . . . 0.2014 . . . . . . . . . . . 0.2552 
'X-RAY DIFFRACTION' 2.67 30.91 . . 175 3601 96.00 . . . . 0.1753 . . . . . . . . . . . 0.1987 
# 
_struct.entry_id                     8YV3 
_struct.title                        'The heterotrimer structure of peptides derived from human collagen type I' 
_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        8YV3 
_struct_keywords.text            'collagen, STRUCTURAL PROTEIN' 
_struct_keywords.pdbx_keywords   'STRUCTURAL PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 1 ? 
E N N 2 ? 
F N N 2 ? 
G N N 3 ? 
H N N 3 ? 
I N N 3 ? 
J N N 3 ? 
K N N 3 ? 
L N N 3 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP CO1A1_HUMAN P02452 ? 1 PVGARGPAGPQGPRGDKGETGEQGDRGIKG 1080 
2 UNP CO1A2_HUMAN P08123 ? 2 AVGPRGPSGPQGIRGDKGEPGEKGPRGLPG 992  
# 
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 8YV3 A 2 ? 31 ? P02452 1080 ? 1109 ? 1 30 
2 2 8YV3 B 2 ? 31 ? P08123 992  ? 1021 ? 1 30 
3 2 8YV3 C 2 ? 31 ? P08123 992  ? 1021 ? 1 30 
4 1 8YV3 D 2 ? 31 ? P02452 1080 ? 1109 ? 1 30 
5 2 8YV3 E 2 ? 31 ? P08123 992  ? 1021 ? 1 30 
6 2 8YV3 F 2 ? 31 ? P08123 992  ? 1021 ? 1 30 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 8YV3 ACE A 1 ? UNP P02452 ? ? acetylation 0 1 
2 8YV3 ACE B 1 ? UNP P08123 ? ? acetylation 0 2 
3 8YV3 ACE C 1 ? UNP P08123 ? ? acetylation 0 3 
4 8YV3 ACE D 1 ? UNP P02452 ? ? acetylation 0 4 
5 8YV3 ACE E 1 ? UNP P08123 ? ? acetylation 0 5 
6 8YV3 ACE F 1 ? UNP P08123 ? ? acetylation 0 6 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_and_software_defined_assembly PISA trimeric 3 
2 author_and_software_defined_assembly PISA trimeric 3 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 6530 ? 
1 MORE         -19  ? 
1 'SSA (A^2)'  5690 ? 
2 'ABSA (A^2)' 6060 ? 
2 MORE         -23  ? 
2 'SSA (A^2)'  6090 ? 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,B,C,G,H,I 
2 1 D,E,F,J,K,L 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1  covale both ? A ACE 1  C ? ? ? 1_555 A PRO 2  N ? ? A ACE 0  A PRO 1  1_555 ? ? ? ? ? ? ? 1.331 ? ? 
covale2  covale both ? B ACE 1  C ? ? ? 1_555 B ALA 2  N ? ? B ACE 0  B ALA 1  1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale3  covale both ? B GLU 20 C ? ? ? 1_555 B HYP 21 N ? ? B GLU 19 B HYP 20 1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale4  covale both ? B HYP 21 C ? ? ? 1_555 B GLY 22 N ? ? B HYP 20 B GLY 21 1_555 ? ? ? ? ? ? ? 1.328 ? ? 
covale5  covale both ? B LEU 29 C ? ? ? 1_555 B HYP 30 N ? ? B LEU 28 B HYP 29 1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale6  covale both ? B HYP 30 C ? ? ? 1_555 B GLY 31 N ? ? B HYP 29 B GLY 30 1_555 ? ? ? ? ? ? ? 1.328 ? ? 
covale7  covale both ? C GLU 20 C ? ? ? 1_555 C HYP 21 N ? ? C GLU 19 C HYP 20 1_555 ? ? ? ? ? ? ? 1.328 ? ? 
covale8  covale both ? C HYP 21 C ? ? ? 1_555 C GLY 22 N ? ? C HYP 20 C GLY 21 1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale9  covale both ? C LEU 29 C ? ? ? 1_555 C HYP 30 N ? ? C LEU 28 C HYP 29 1_555 ? ? ? ? ? ? ? 1.330 ? ? 
covale10 covale both ? C HYP 30 C ? ? ? 1_555 C GLY 31 N ? ? C HYP 29 C GLY 30 1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale11 covale both ? D ACE 1  C ? ? ? 1_555 D PRO 2  N ? ? D ACE 0  D PRO 1  1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale12 covale both ? E GLU 20 C ? ? ? 1_555 E HYP 21 N ? ? E GLU 19 E HYP 20 1_555 ? ? ? ? ? ? ? 1.330 ? ? 
covale13 covale both ? E HYP 21 C ? ? ? 1_555 E GLY 22 N ? ? E HYP 20 E GLY 21 1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale14 covale both ? E LEU 29 C ? ? ? 1_555 E HYP 30 N ? ? E LEU 28 E HYP 29 1_555 ? ? ? ? ? ? ? 1.327 ? ? 
covale15 covale both ? E HYP 30 C ? ? ? 1_555 E GLY 31 N ? ? E HYP 29 E GLY 30 1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale16 covale both ? F ACE 1  C ? ? ? 1_555 F ALA 2  N ? ? F ACE 0  F ALA 1  1_555 ? ? ? ? ? ? ? 1.333 ? ? 
covale17 covale both ? F GLU 20 C ? ? ? 1_555 F HYP 21 N ? ? F GLU 19 F HYP 20 1_555 ? ? ? ? ? ? ? 1.330 ? ? 
covale18 covale both ? F HYP 21 C ? ? ? 1_555 F GLY 22 N ? ? F HYP 20 F GLY 21 1_555 ? ? ? ? ? ? ? 1.326 ? ? 
covale19 covale both ? F LEU 29 C ? ? ? 1_555 F HYP 30 N ? ? F LEU 28 F HYP 29 1_555 ? ? ? ? ? ? ? 1.331 ? ? 
covale20 covale both ? F HYP 30 C ? ? ? 1_555 F GLY 31 N ? ? F HYP 29 F GLY 30 1_555 ? ? ? ? ? ? ? 1.329 ? ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1  HYP B 21 ? .   . . . HYP B 20 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
2  HYP B 30 ? .   . . . HYP B 29 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
3  HYP C 21 ? .   . . . HYP C 20 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
4  HYP C 30 ? .   . . . HYP C 29 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
5  HYP E 21 ? .   . . . HYP E 20 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
6  HYP E 30 ? .   . . . HYP E 29 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
7  HYP F 21 ? .   . . . HYP F 20 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
8  HYP F 30 ? .   . . . HYP F 29 ? 1_555 .   . . . .     . . PRO 1  HYP Hydroxylation 'Named protein modification' 
9  ACE A 1  ? PRO A 2 ? ACE A 0  ? 1_555 PRO A 1 ? 1_555 . . PRO 13 ACE None          'Terminal acetylation'       
10 ACE B 1  ? ALA B 2 ? ACE B 0  ? 1_555 ALA B 1 ? 1_555 . . ALA 1  ACE None          'Terminal acetylation'       
11 ACE D 1  ? PRO D 2 ? ACE D 0  ? 1_555 PRO D 1 ? 1_555 . . PRO 13 ACE None          'Terminal acetylation'       
12 ACE F 1  ? ALA F 2 ? ACE F 0  ? 1_555 ALA F 1 ? 1_555 . . ALA 1  ACE None          'Terminal acetylation'       
# 
_pdbx_entry_details.entry_id                   8YV3 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1  1 NH2 A ARG 14  ? C O A HOH 101 ? ? 2.03 
2  1 OD1 E HYP 20  ? ? O E HOH 101 ? ? 2.08 
3  1 OE1 C GLU 19  ? ? O C HOH 101 ? ? 2.09 
4  1 O   A HOH 110 ? ? O A HOH 142 ? ? 2.10 
5  1 O   E HOH 101 ? ? O E HOH 119 ? ? 2.10 
6  1 O   F HOH 111 ? ? O F HOH 134 ? ? 2.11 
7  1 O   F ACE 0   ? ? O F HOH 101 ? ? 2.14 
8  1 O   D LYS 29  ? ? O D HOH 101 ? ? 2.14 
9  1 NH1 F ARG 14  ? ? O F HOH 102 ? ? 2.15 
10 1 O   D HOH 137 ? ? O D HOH 150 ? ? 2.18 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 149 ? ? 1_555 O E HOH 131 ? ? 1_545 2.00 
2 1 O E HOH 140 ? ? 1_555 O F HOH 141 ? ? 1_734 2.08 
3 1 O B HOH 133 ? ? 1_555 O C HOH 128 ? ? 1_734 2.09 
4 1 O D HOH 101 ? ? 1_555 O E HOH 102 ? ? 1_465 2.11 
5 1 O C HOH 144 ? ? 1_555 O D HOH 158 ? ? 1_465 2.14 
# 
loop_
_pdbx_struct_mod_residue.id 
_pdbx_struct_mod_residue.label_asym_id 
_pdbx_struct_mod_residue.label_comp_id 
_pdbx_struct_mod_residue.label_seq_id 
_pdbx_struct_mod_residue.auth_asym_id 
_pdbx_struct_mod_residue.auth_comp_id 
_pdbx_struct_mod_residue.auth_seq_id 
_pdbx_struct_mod_residue.PDB_ins_code 
_pdbx_struct_mod_residue.parent_comp_id 
_pdbx_struct_mod_residue.details 
1 B HYP 21 B HYP 20 ? PRO 'modified residue' 
2 B HYP 30 B HYP 29 ? PRO 'modified residue' 
3 C HYP 21 C HYP 20 ? PRO 'modified residue' 
4 C HYP 30 C HYP 29 ? PRO 'modified residue' 
5 E HYP 21 E HYP 20 ? PRO 'modified residue' 
6 E HYP 30 E HYP 29 ? PRO 'modified residue' 
7 F HYP 21 F HYP 20 ? PRO 'modified residue' 
8 F HYP 30 F HYP 29 ? PRO 'modified residue' 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1  'X-RAY DIFFRACTION' ? refined 38.1291 10.7374  19.4913 0.0006 ? 0.0086  ? 0.0346  ? 0.1140 ? 0.0303  ? 0.0822 ? 0.3741 ? 
-0.4980 ? 0.0896  ? 1.7263 ? 0.3825  ? 0.3868 ? -0.0514 ? 0.0381  ? 0.0332  ? -0.1545 ? 0.0461  ? -0.1110 ? -0.0680 ? 0.1287  ? 
-0.0888 ? 
2  'X-RAY DIFFRACTION' ? refined 48.3672 -19.4944 10.4886 0.1051 ? 0.0014  ? 0.0150  ? 0.1481 ? -0.0130 ? 0.1134 ? 1.0141 ? 
-0.9556 ? -0.3362 ? 6.4879 ? 3.3514  ? 2.5727 ? -0.0846 ? 0.0622  ? -0.1044 ? 0.1457  ? 0.0616  ? -0.1385 ? 0.2113  ? 0.3418  ? 
-0.0696 ? 
3  'X-RAY DIFFRACTION' ? refined 52.5452 -38.3285 1.0939  0.3198 ? 0.0534  ? 0.0940  ? 0.2489 ? -0.0424 ? 0.2721 ? 0.0755 ? 
-0.3689 ? -0.0667 ? 2.3376 ? 0.3262  ? 0.0577 ? -0.0232 ? 0.3215  ? -0.4999 ? -0.3939 ? 0.1937  ? -0.0498 ? 0.5155  ? 0.1609  ? 
-0.0386 ? 
4  'X-RAY DIFFRACTION' ? refined 33.9231 21.6731  25.4016 0.0440 ? -0.0200 ? 0.0033  ? 0.0944 ? -0.0055 ? 0.0683 ? 0.7584 ? 
-0.8220 ? -0.4874 ? 2.8996 ? 0.9714  ? 0.8698 ? -0.0516 ? -0.1445 ? 0.0067  ? 0.1325  ? 0.1145  ? 0.0935  ? 0.0640  ? 0.0961  ? 
-0.0818 ? 
5  'X-RAY DIFFRACTION' ? refined 40.9920 -6.0778  15.2785 0.0693 ? 0.0274  ? -0.0166 ? 0.1016 ? -0.0012 ? 0.0697 ? 1.5390 ? 
-2.3958 ? -1.3212 ? 4.9471 ? 2.0260  ? 1.1265 ? -0.1306 ? 0.1872  ? -0.0753 ? 0.0213  ? 0.0809  ? 0.1657  ? -0.0708 ? 0.0260  ? 
0.0503  ? 
6  'X-RAY DIFFRACTION' ? refined 49.5285 -24.7417 1.9294  0.2392 ? -0.0050 ? 0.0019  ? 0.1127 ? 0.0048  ? 0.1031 ? 2.5616 ? 
-0.5969 ? -1.5817 ? 6.9233 ? 2.7278  ? 3.2565 ? 0.2591  ? 0.2078  ? -0.0575 ? -0.2277 ? 0.0680  ? 0.3509  ? -0.3327 ? -0.1033 ? 
0.1458  ? 
7  'X-RAY DIFFRACTION' ? refined 57.6878 -34.5954 -0.2027 0.2422 ? 0.0230  ? 0.0336  ? 0.1187 ? -0.0128 ? 0.0968 ? 6.7950 ? 
-1.4410 ? -1.5305 ? 5.8718 ? 1.9077  ? 6.5553 ? -0.0283 ? -0.0083 ? -0.2711 ? -0.1142 ? 0.0512  ? -0.1907 ? 0.1970  ? 0.3304  ? 
0.0312  ? 
8  'X-RAY DIFFRACTION' ? refined 32.4979 16.1704  23.5139 0.0550 ? -0.0016 ? -0.0149 ? 0.0916 ? 0.0324  ? 0.1002 ? 1.1883 ? 
-2.0839 ? -0.9195 ? 4.5553 ? 1.7742  ? 1.3970 ? -0.0570 ? -0.1556 ? -0.0418 ? -0.0085 ? 0.1416  ? -0.0146 ? -0.0659 ? 0.0367  ? 
-0.0974 ? 
9  'X-RAY DIFFRACTION' ? refined 45.7306 -6.3393  10.2265 0.1319 ? -0.0572 ? 0.0139  ? 0.1090 ? 0.0261  ? 0.1073 ? 2.1107 ? 
-3.6782 ? -0.9270 ? 7.6271 ? 2.3416  ? 0.8407 ? 0.1077  ? 0.1878  ? 0.2616  ? -0.4482 ? 0.1360  ? -0.3627 ? -0.3039 ? 0.0994  ? 
-0.1678 ? 
10 'X-RAY DIFFRACTION' ? refined 53.6709 -21.3471 5.8788  0.2281 ? -0.0175 ? 0.0757  ? 0.1916 ? -0.0164 ? 0.1407 ? 0.9816 ? 
-1.6930 ? -0.2238 ? 4.3526 ? 1.8015  ? 1.4529 ? -0.0149 ? 0.0369  ? 0.1078  ? -0.8319 ? 0.0356  ? -0.4196 ? 0.2765  ? 0.1437  ? 
-0.2073 ? 
11 'X-RAY DIFFRACTION' ? refined 55.5201 -34.1187 5.5078  0.2308 ? 0.0263  ? -0.0260 ? 0.1856 ? -0.0283 ? 0.0839 ? 4.4461 ? 
-4.5810 ? -2.2521 ? 7.4817 ? 1.5562  ? 1.3517 ? -0.0905 ? -0.0897 ? -0.0436 ? -0.2181 ? -0.1068 ? -0.1983 ? 0.2471  ? 0.1581  ? 
-0.1822 ? 
12 'X-RAY DIFFRACTION' ? refined 63.2229 -24.0713 6.2331  0.4647 ? -0.0744 ? 0.1751  ? 0.1411 ? -0.1193 ? 0.0165 ? 0.1447 ? 
-0.2988 ? -0.0764 ? 2.0076 ? 1.2710  ? 0.9281 ? 0.0348  ? -0.0006 ? -0.0334 ? 0.0578  ? -0.2114 ? 0.1061  ? 0.1075  ? -0.2117 ? 
-0.1993 ? 
13 'X-RAY DIFFRACTION' ? refined 59.4067 -5.6542  18.1370 0.0601 ? -0.0120 ? 0.0353  ? 0.0562 ? -0.0095 ? 0.0678 ? 1.1325 ? 
-1.2378 ? -0.4328 ? 3.1381 ? 0.9028  ? 0.8187 ? -0.0871 ? 0.0967  ? -0.0892 ? -0.0073 ? -0.0983 ? 0.1001  ? 0.0899  ? 0.0346  ? 
0.0053  ? 
14 'X-RAY DIFFRACTION' ? refined 53.7533 14.0544  22.4652 0.1002 ? 0.0055  ? -0.0304 ? 0.0695 ? -0.0081 ? 0.0839 ? 1.1519 ? 
-1.7561 ? 0.5863  ? 6.8436 ? -0.3175 ? 0.3800 ? -0.1213 ? -0.0274 ? 0.0611  ? 0.0599  ? 0.1966  ? -0.4114 ? -0.0179 ? 0.0359  ? 
-0.0711 ? 
15 'X-RAY DIFFRACTION' ? refined 42.2349 32.3114  27.0191 0.0233 ? -0.0437 ? -0.0580 ? 0.1160 ? 0.0165  ? 0.1165 ? 2.4971 ? 
-1.6372 ? -0.7835 ? 3.2343 ? 0.3350  ? 2.0174 ? -0.0445 ? 0.1115  ? 0.4089  ? 0.1752  ? 0.1003  ? -0.2969 ? -0.3250 ? -0.0207 ? 
-0.1052 ? 
16 'X-RAY DIFFRACTION' ? refined 59.6198 -8.9675  13.4310 0.1208 ? 0.0119  ? -0.0395 ? 0.1049 ? 0.0063  ? 0.0461 ? 1.4821 ? 
-1.7624 ? -0.9855 ? 3.7272 ? 1.7291  ? 1.4777 ? 0.1630  ? 0.1245  ? 0.0135  ? -0.1524 ? -0.1104 ? -0.0127 ? 0.0857  ? -0.0516 ? 
0.0198  ? 
17 'X-RAY DIFFRACTION' ? refined 45.4618 26.3609  31.1288 0.1500 ? 0.0276  ? -0.0019 ? 0.1266 ? 0.0137  ? 0.0594 ? 1.8196 ? 
-0.8326 ? -0.6372 ? 7.7609 ? 2.4472  ? 1.1837 ? -0.1566 ? -0.1459 ? 0.0767  ? 0.4997  ? -0.0381 ? 0.2166  ? 0.2264  ? 0.1901  ? 
0.0005  ? 
18 'X-RAY DIFFRACTION' ? refined 67.0021 -26.8828 9.8216  0.6285 ? 0.0190  ? -0.1192 ? 0.1229 ? 0.0219  ? 0.2850 ? 1.0605 ? 
-0.6141 ? -0.4094 ? 3.7682 ? 0.5156  ? 0.7428 ? -0.1462 ? -0.0535 ? -0.2242 ? 0.0794  ? 0.0762  ? 0.3748  ? 0.2457  ? 0.0938  ? 
0.0158  ? 
19 'X-RAY DIFFRACTION' ? refined 57.2275 0.9012   15.4837 0.0981 ? -0.0433 ? -0.0029 ? 0.1229 ? -0.0066 ? 0.1165 ? 2.2064 ? 
-3.3059 ? -1.4938 ? 5.2162 ? 2.0076  ? 1.1859 ? 0.1949  ? 0.1736  ? -0.0089 ? -0.3424 ? -0.2473 ? 0.1683  ? -0.1262 ? -0.0825 ? 
0.0415  ? 
20 'X-RAY DIFFRACTION' ? refined 40.3114 27.7823  30.1689 0.1524 ? 0.0067  ? 0.0435  ? 0.1141 ? 0.0086  ? 0.1133 ? 2.2591 ? 
-1.9972 ? -0.7272 ? 3.3351 ? 1.5713  ? 1.9654 ? -0.2346 ? -0.0072 ? -0.2570 ? 0.3418  ? 0.2865  ? 0.1308  ? -0.0682 ? -0.0859 ? 
0.0363  ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1  'X-RAY DIFFRACTION' 1  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 1 through 15 )
;
2  'X-RAY DIFFRACTION' 2  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 16 through 25 )
;
3  'X-RAY DIFFRACTION' 3  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 26 through 29 )
;
4  'X-RAY DIFFRACTION' 4  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 1 through 10 )
;
5  'X-RAY DIFFRACTION' 5  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 11 through 21 )
;
6  'X-RAY DIFFRACTION' 6  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 22 through 26 )
;
7  'X-RAY DIFFRACTION' 7  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 27 through 30 )
;
8  'X-RAY DIFFRACTION' 8  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 1 through 15 )
;
9  'X-RAY DIFFRACTION' 9  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 16 through 21 )
;
10 'X-RAY DIFFRACTION' 10 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 22 through 26 )
;
11 'X-RAY DIFFRACTION' 11 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 27 through 30 )
;
12 'X-RAY DIFFRACTION' 12 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'D' and (resid 1 through 5 )
;
13 'X-RAY DIFFRACTION' 13 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'D' and (resid 6 through 15 )
;
14 'X-RAY DIFFRACTION' 14 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'D' and (resid 16 through 20 )
;
15 'X-RAY DIFFRACTION' 15 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'D' and (resid 21 through 30 )
;
16 'X-RAY DIFFRACTION' 16 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'E' and (resid 1 through 21 )
;
17 'X-RAY DIFFRACTION' 17 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'E' and (resid 22 through 30 )
;
18 'X-RAY DIFFRACTION' 18 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'F' and (resid 1 through 5 )
;
19 'X-RAY DIFFRACTION' 19 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'F' and (resid 6 through 21 )
;
20 'X-RAY DIFFRACTION' 20 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'F' and (resid 22 through 30 )
;
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? B HOH 146 ? 7.18 . 
2 1 O ? E HOH 148 ? 6.26 . 
# 
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 E ACE 0 ? E ACE 1 
# 
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  
ARG N    N N N 21  
ARG CA   C N S 22  
ARG C    C N N 23  
ARG O    O N N 24  
ARG CB   C N N 25  
ARG CG   C N N 26  
ARG CD   C N N 27  
ARG NE   N N N 28  
ARG CZ   C N N 29  
ARG NH1  N N N 30  
ARG NH2  N N N 31  
ARG OXT  O N N 32  
ARG H    H N N 33  
ARG H2   H N N 34  
ARG HA   H N N 35  
ARG HB2  H N N 36  
ARG HB3  H N N 37  
ARG HG2  H N N 38  
ARG HG3  H N N 39  
ARG HD2  H N N 40  
ARG HD3  H N N 41  
ARG HE   H N N 42  
ARG HH11 H N N 43  
ARG HH12 H N N 44  
ARG HH21 H N N 45  
ARG HH22 H N N 46  
ARG HXT  H N N 47  
ASP N    N N N 48  
ASP CA   C N S 49  
ASP C    C N N 50  
ASP O    O N N 51  
ASP CB   C N N 52  
ASP CG   C N N 53  
ASP OD1  O N N 54  
ASP OD2  O N N 55  
ASP OXT  O N N 56  
ASP H    H N N 57  
ASP H2   H N N 58  
ASP HA   H N N 59  
ASP HB2  H N N 60  
ASP HB3  H N N 61  
ASP HD2  H N N 62  
ASP HXT  H N N 63  
GLN N    N N N 64  
GLN CA   C N S 65  
GLN C    C N N 66  
GLN O    O N N 67  
GLN CB   C N N 68  
GLN CG   C N N 69  
GLN CD   C N N 70  
GLN OE1  O N N 71  
GLN NE2  N N N 72  
GLN OXT  O N N 73  
GLN H    H N N 74  
GLN H2   H N N 75  
GLN HA   H N N 76  
GLN HB2  H N N 77  
GLN HB3  H N N 78  
GLN HG2  H N N 79  
GLN HG3  H N N 80  
GLN HE21 H N N 81  
GLN HE22 H N N 82  
GLN HXT  H N N 83  
GLU N    N N N 84  
GLU CA   C N S 85  
GLU C    C N N 86  
GLU O    O N N 87  
GLU CB   C N N 88  
GLU CG   C N N 89  
GLU CD   C N N 90  
GLU OE1  O N N 91  
GLU OE2  O N N 92  
GLU OXT  O N N 93  
GLU H    H N N 94  
GLU H2   H N N 95  
GLU HA   H N N 96  
GLU HB2  H N N 97  
GLU HB3  H N N 98  
GLU HG2  H N N 99  
GLU HG3  H N N 100 
GLU HE2  H N N 101 
GLU HXT  H N N 102 
GLY N    N N N 103 
GLY CA   C N N 104 
GLY C    C N N 105 
GLY O    O N N 106 
GLY OXT  O N N 107 
GLY H    H N N 108 
GLY H2   H N N 109 
GLY HA2  H N N 110 
GLY HA3  H N N 111 
GLY HXT  H N N 112 
HOH O    O N N 113 
HOH H1   H N N 114 
HOH H2   H N N 115 
HYP N    N N N 116 
HYP CA   C N S 117 
HYP C    C N N 118 
HYP O    O N N 119 
HYP CB   C N N 120 
HYP CG   C N R 121 
HYP CD   C N N 122 
HYP OD1  O N N 123 
HYP OXT  O N N 124 
HYP H    H N N 125 
HYP HA   H N N 126 
HYP HB2  H N N 127 
HYP HB3  H N N 128 
HYP HG   H N N 129 
HYP HD22 H N N 130 
HYP HD23 H N N 131 
HYP HD1  H N N 132 
HYP HXT  H N N 133 
ILE N    N N N 134 
ILE CA   C N S 135 
ILE C    C N N 136 
ILE O    O N N 137 
ILE CB   C N S 138 
ILE CG1  C N N 139 
ILE CG2  C N N 140 
ILE CD1  C N N 141 
ILE OXT  O N N 142 
ILE H    H N N 143 
ILE H2   H N N 144 
ILE HA   H N N 145 
ILE HB   H N N 146 
ILE HG12 H N N 147 
ILE HG13 H N N 148 
ILE HG21 H N N 149 
ILE HG22 H N N 150 
ILE HG23 H N N 151 
ILE HD11 H N N 152 
ILE HD12 H N N 153 
ILE HD13 H N N 154 
ILE HXT  H N N 155 
LEU N    N N N 156 
LEU CA   C N S 157 
LEU C    C N N 158 
LEU O    O N N 159 
LEU CB   C N N 160 
LEU CG   C N N 161 
LEU CD1  C N N 162 
LEU CD2  C N N 163 
LEU OXT  O N N 164 
LEU H    H N N 165 
LEU H2   H N N 166 
LEU HA   H N N 167 
LEU HB2  H N N 168 
LEU HB3  H N N 169 
LEU HG   H N N 170 
LEU HD11 H N N 171 
LEU HD12 H N N 172 
LEU HD13 H N N 173 
LEU HD21 H N N 174 
LEU HD22 H N N 175 
LEU HD23 H N N 176 
LEU HXT  H N N 177 
LYS N    N N N 178 
LYS CA   C N S 179 
LYS C    C N N 180 
LYS O    O N N 181 
LYS CB   C N N 182 
LYS CG   C N N 183 
LYS CD   C N N 184 
LYS CE   C N N 185 
LYS NZ   N N N 186 
LYS OXT  O N N 187 
LYS H    H N N 188 
LYS H2   H N N 189 
LYS HA   H N N 190 
LYS HB2  H N N 191 
LYS HB3  H N N 192 
LYS HG2  H N N 193 
LYS HG3  H N N 194 
LYS HD2  H N N 195 
LYS HD3  H N N 196 
LYS HE2  H N N 197 
LYS HE3  H N N 198 
LYS HZ1  H N N 199 
LYS HZ2  H N N 200 
LYS HZ3  H N N 201 
LYS HXT  H N N 202 
PRO N    N N N 203 
PRO CA   C N S 204 
PRO C    C N N 205 
PRO O    O N N 206 
PRO CB   C N N 207 
PRO CG   C N N 208 
PRO CD   C N N 209 
PRO OXT  O N N 210 
PRO H    H N N 211 
PRO HA   H N N 212 
PRO HB2  H N N 213 
PRO HB3  H N N 214 
PRO HG2  H N N 215 
PRO HG3  H N N 216 
PRO HD2  H N N 217 
PRO HD3  H N N 218 
PRO HXT  H N N 219 
SER N    N N N 220 
SER CA   C N S 221 
SER C    C N N 222 
SER O    O N N 223 
SER CB   C N N 224 
SER OG   O N N 225 
SER OXT  O N N 226 
SER H    H N N 227 
SER H2   H N N 228 
SER HA   H N N 229 
SER HB2  H N N 230 
SER HB3  H N N 231 
SER HG   H N N 232 
SER HXT  H N N 233 
THR N    N N N 234 
THR CA   C N S 235 
THR C    C N N 236 
THR O    O N N 237 
THR CB   C N R 238 
THR OG1  O N N 239 
THR CG2  C N N 240 
THR OXT  O N N 241 
THR H    H N N 242 
THR H2   H N N 243 
THR HA   H N N 244 
THR HB   H N N 245 
THR HG1  H N N 246 
THR HG21 H N N 247 
THR HG22 H N N 248 
THR HG23 H N N 249 
THR HXT  H N N 250 
VAL N    N N N 251 
VAL CA   C N S 252 
VAL C    C N N 253 
VAL O    O N N 254 
VAL CB   C N N 255 
VAL CG1  C N N 256 
VAL CG2  C N N 257 
VAL OXT  O N N 258 
VAL H    H N N 259 
VAL H2   H N N 260 
VAL HA   H N N 261 
VAL HB   H N N 262 
VAL HG11 H N N 263 
VAL HG12 H N N 264 
VAL HG13 H N N 265 
VAL HG21 H N N 266 
VAL HG22 H N N 267 
VAL HG23 H N N 268 
VAL HXT  H N N 269 
# 
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  
ARG N   CA   sing N N 19  
ARG N   H    sing N N 20  
ARG N   H2   sing N N 21  
ARG CA  C    sing N N 22  
ARG CA  CB   sing N N 23  
ARG CA  HA   sing N N 24  
ARG C   O    doub N N 25  
ARG C   OXT  sing N N 26  
ARG CB  CG   sing N N 27  
ARG CB  HB2  sing N N 28  
ARG CB  HB3  sing N N 29  
ARG CG  CD   sing N N 30  
ARG CG  HG2  sing N N 31  
ARG CG  HG3  sing N N 32  
ARG CD  NE   sing N N 33  
ARG CD  HD2  sing N N 34  
ARG CD  HD3  sing N N 35  
ARG NE  CZ   sing N N 36  
ARG NE  HE   sing N N 37  
ARG CZ  NH1  sing N N 38  
ARG CZ  NH2  doub N N 39  
ARG NH1 HH11 sing N N 40  
ARG NH1 HH12 sing N N 41  
ARG NH2 HH21 sing N N 42  
ARG NH2 HH22 sing N N 43  
ARG OXT HXT  sing N N 44  
ASP N   CA   sing N N 45  
ASP N   H    sing N N 46  
ASP N   H2   sing N N 47  
ASP CA  C    sing N N 48  
ASP CA  CB   sing N N 49  
ASP CA  HA   sing N N 50  
ASP C   O    doub N N 51  
ASP C   OXT  sing N N 52  
ASP CB  CG   sing N N 53  
ASP CB  HB2  sing N N 54  
ASP CB  HB3  sing N N 55  
ASP CG  OD1  doub N N 56  
ASP CG  OD2  sing N N 57  
ASP OD2 HD2  sing N N 58  
ASP OXT HXT  sing N N 59  
GLN N   CA   sing N N 60  
GLN N   H    sing N N 61  
GLN N   H2   sing N N 62  
GLN CA  C    sing N N 63  
GLN CA  CB   sing N N 64  
GLN CA  HA   sing N N 65  
GLN C   O    doub N N 66  
GLN C   OXT  sing N N 67  
GLN CB  CG   sing N N 68  
GLN CB  HB2  sing N N 69  
GLN CB  HB3  sing N N 70  
GLN CG  CD   sing N N 71  
GLN CG  HG2  sing N N 72  
GLN CG  HG3  sing N N 73  
GLN CD  OE1  doub N N 74  
GLN CD  NE2  sing N N 75  
GLN NE2 HE21 sing N N 76  
GLN NE2 HE22 sing N N 77  
GLN OXT HXT  sing N N 78  
GLU N   CA   sing N N 79  
GLU N   H    sing N N 80  
GLU N   H2   sing N N 81  
GLU CA  C    sing N N 82  
GLU CA  CB   sing N N 83  
GLU CA  HA   sing N N 84  
GLU C   O    doub N N 85  
GLU C   OXT  sing N N 86  
GLU CB  CG   sing N N 87  
GLU CB  HB2  sing N N 88  
GLU CB  HB3  sing N N 89  
GLU CG  CD   sing N N 90  
GLU CG  HG2  sing N N 91  
GLU CG  HG3  sing N N 92  
GLU CD  OE1  doub N N 93  
GLU CD  OE2  sing N N 94  
GLU OE2 HE2  sing N N 95  
GLU OXT HXT  sing N N 96  
GLY N   CA   sing N N 97  
GLY N   H    sing N N 98  
GLY N   H2   sing N N 99  
GLY CA  C    sing N N 100 
GLY CA  HA2  sing N N 101 
GLY CA  HA3  sing N N 102 
GLY C   O    doub N N 103 
GLY C   OXT  sing N N 104 
GLY OXT HXT  sing N N 105 
HOH O   H1   sing N N 106 
HOH O   H2   sing N N 107 
HYP N   CA   sing N N 108 
HYP N   CD   sing N N 109 
HYP N   H    sing N N 110 
HYP CA  C    sing N N 111 
HYP CA  CB   sing N N 112 
HYP CA  HA   sing N N 113 
HYP C   O    doub N N 114 
HYP C   OXT  sing N N 115 
HYP CB  CG   sing N N 116 
HYP CB  HB2  sing N N 117 
HYP CB  HB3  sing N N 118 
HYP CG  CD   sing N N 119 
HYP CG  OD1  sing N N 120 
HYP CG  HG   sing N N 121 
HYP CD  HD22 sing N N 122 
HYP CD  HD23 sing N N 123 
HYP OD1 HD1  sing N N 124 
HYP OXT HXT  sing N N 125 
ILE N   CA   sing N N 126 
ILE N   H    sing N N 127 
ILE N   H2   sing N N 128 
ILE CA  C    sing N N 129 
ILE CA  CB   sing N N 130 
ILE CA  HA   sing N N 131 
ILE C   O    doub N N 132 
ILE C   OXT  sing N N 133 
ILE CB  CG1  sing N N 134 
ILE CB  CG2  sing N N 135 
ILE CB  HB   sing N N 136 
ILE CG1 CD1  sing N N 137 
ILE CG1 HG12 sing N N 138 
ILE CG1 HG13 sing N N 139 
ILE CG2 HG21 sing N N 140 
ILE CG2 HG22 sing N N 141 
ILE CG2 HG23 sing N N 142 
ILE CD1 HD11 sing N N 143 
ILE CD1 HD12 sing N N 144 
ILE CD1 HD13 sing N N 145 
ILE OXT HXT  sing N N 146 
LEU N   CA   sing N N 147 
LEU N   H    sing N N 148 
LEU N   H2   sing N N 149 
LEU CA  C    sing N N 150 
LEU CA  CB   sing N N 151 
LEU CA  HA   sing N N 152 
LEU C   O    doub N N 153 
LEU C   OXT  sing N N 154 
LEU CB  CG   sing N N 155 
LEU CB  HB2  sing N N 156 
LEU CB  HB3  sing N N 157 
LEU CG  CD1  sing N N 158 
LEU CG  CD2  sing N N 159 
LEU CG  HG   sing N N 160 
LEU CD1 HD11 sing N N 161 
LEU CD1 HD12 sing N N 162 
LEU CD1 HD13 sing N N 163 
LEU CD2 HD21 sing N N 164 
LEU CD2 HD22 sing N N 165 
LEU CD2 HD23 sing N N 166 
LEU OXT HXT  sing N N 167 
LYS N   CA   sing N N 168 
LYS N   H    sing N N 169 
LYS N   H2   sing N N 170 
LYS CA  C    sing N N 171 
LYS CA  CB   sing N N 172 
LYS CA  HA   sing N N 173 
LYS C   O    doub N N 174 
LYS C   OXT  sing N N 175 
LYS CB  CG   sing N N 176 
LYS CB  HB2  sing N N 177 
LYS CB  HB3  sing N N 178 
LYS CG  CD   sing N N 179 
LYS CG  HG2  sing N N 180 
LYS CG  HG3  sing N N 181 
LYS CD  CE   sing N N 182 
LYS CD  HD2  sing N N 183 
LYS CD  HD3  sing N N 184 
LYS CE  NZ   sing N N 185 
LYS CE  HE2  sing N N 186 
LYS CE  HE3  sing N N 187 
LYS NZ  HZ1  sing N N 188 
LYS NZ  HZ2  sing N N 189 
LYS NZ  HZ3  sing N N 190 
LYS OXT HXT  sing N N 191 
PRO N   CA   sing N N 192 
PRO N   CD   sing N N 193 
PRO N   H    sing N N 194 
PRO CA  C    sing N N 195 
PRO CA  CB   sing N N 196 
PRO CA  HA   sing N N 197 
PRO C   O    doub N N 198 
PRO C   OXT  sing N N 199 
PRO CB  CG   sing N N 200 
PRO CB  HB2  sing N N 201 
PRO CB  HB3  sing N N 202 
PRO CG  CD   sing N N 203 
PRO CG  HG2  sing N N 204 
PRO CG  HG3  sing N N 205 
PRO CD  HD2  sing N N 206 
PRO CD  HD3  sing N N 207 
PRO OXT HXT  sing N N 208 
SER N   CA   sing N N 209 
SER N   H    sing N N 210 
SER N   H2   sing N N 211 
SER CA  C    sing N N 212 
SER CA  CB   sing N N 213 
SER CA  HA   sing N N 214 
SER C   O    doub N N 215 
SER C   OXT  sing N N 216 
SER CB  OG   sing N N 217 
SER CB  HB2  sing N N 218 
SER CB  HB3  sing N N 219 
SER OG  HG   sing N N 220 
SER OXT HXT  sing N N 221 
THR N   CA   sing N N 222 
THR N   H    sing N N 223 
THR N   H2   sing N N 224 
THR CA  C    sing N N 225 
THR CA  CB   sing N N 226 
THR CA  HA   sing N N 227 
THR C   O    doub N N 228 
THR C   OXT  sing N N 229 
THR CB  OG1  sing N N 230 
THR CB  CG2  sing N N 231 
THR CB  HB   sing N N 232 
THR OG1 HG1  sing N N 233 
THR CG2 HG21 sing N N 234 
THR CG2 HG22 sing N N 235 
THR CG2 HG23 sing N N 236 
THR OXT HXT  sing N N 237 
VAL N   CA   sing N N 238 
VAL N   H    sing N N 239 
VAL N   H2   sing N N 240 
VAL CA  C    sing N N 241 
VAL CA  CB   sing N N 242 
VAL CA  HA   sing N N 243 
VAL C   O    doub N N 244 
VAL C   OXT  sing N N 245 
VAL CB  CG1  sing N N 246 
VAL CB  CG2  sing N N 247 
VAL CB  HB   sing N N 248 
VAL CG1 HG11 sing N N 249 
VAL CG1 HG12 sing N N 250 
VAL CG1 HG13 sing N N 251 
VAL CG2 HG21 sing N N 252 
VAL CG2 HG22 sing N N 253 
VAL CG2 HG23 sing N N 254 
VAL OXT HXT  sing N N 255 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_atom_sites.entry_id                    8YV3 
_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]   0.032798 
_atom_sites.fract_transf_matrix[1][2]   -0.012171 
_atom_sites.fract_transf_matrix[1][3]   -0.006320 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.032280 
_atom_sites.fract_transf_matrix[2][3]   -0.002200 
_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]   0.026630 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
N 
O 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
HETATM 1    C C   . ACE A 1 1  ? 24.822 31.411  27.950 1.00 14.47 ?  0   ACE A C   1 
HETATM 2    O O   . ACE A 1 1  ? 24.456 30.354  28.463 1.00 9.24  ?  0   ACE A O   1 
HETATM 3    C CH3 . ACE A 1 1  ? 24.944 32.684  28.737 1.00 8.92  ?  0   ACE A CH3 1 
ATOM   4    N N   . PRO A 1 2  ? 25.138 31.512  26.661 1.00 13.21 ?  1   PRO A N   1 
ATOM   5    C CA  . PRO A 1 2  ? 25.083 30.380  25.727 1.00 11.52 ?  1   PRO A CA  1 
ATOM   6    C C   . PRO A 1 2  ? 25.944 29.197  26.161 1.00 6.93  ?  1   PRO A C   1 
ATOM   7    O O   . PRO A 1 2  ? 27.036 29.396  26.693 1.00 9.58  ?  1   PRO A O   1 
ATOM   8    C CB  . PRO A 1 2  ? 25.612 30.987  24.420 1.00 6.45  ?  1   PRO A CB  1 
ATOM   9    C CG  . PRO A 1 2  ? 25.302 32.448  24.549 1.00 8.74  ?  1   PRO A CG  1 
ATOM   10   C CD  . PRO A 1 2  ? 25.604 32.735  25.989 1.00 8.18  ?  1   PRO A CD  1 
ATOM   11   N N   . VAL A 1 3  ? 25.448 27.976  25.938 1.00 6.86  ?  2   VAL A N   1 
ATOM   12   C CA  . VAL A 1 3  ? 26.213 26.791  26.307 1.00 5.52  ?  2   VAL A CA  1 
ATOM   13   C C   . VAL A 1 3  ? 27.437 26.667  25.410 1.00 8.32  ?  2   VAL A C   1 
ATOM   14   O O   . VAL A 1 3  ? 27.426 27.056  24.232 1.00 7.94  ?  2   VAL A O   1 
ATOM   15   C CB  . VAL A 1 3  ? 25.346 25.521  26.232 1.00 8.77  ?  2   VAL A CB  1 
ATOM   16   C CG1 . VAL A 1 3  ? 24.278 25.539  27.309 1.00 12.68 ?  2   VAL A CG1 1 
ATOM   17   C CG2 . VAL A 1 3  ? 24.717 25.385  24.854 1.00 12.77 ?  2   VAL A CG2 1 
ATOM   18   N N   . GLY A 1 4  ? 28.507 26.117  25.975 1.00 9.50  ?  3   GLY A N   1 
ATOM   19   C CA  . GLY A 1 4  ? 29.733 25.951  25.226 1.00 5.49  ?  3   GLY A CA  1 
ATOM   20   C C   . GLY A 1 4  ? 29.594 24.949  24.098 1.00 5.79  ?  3   GLY A C   1 
ATOM   21   O O   . GLY A 1 4  ? 28.660 24.148  24.038 1.00 10.98 ?  3   GLY A O   1 
ATOM   22   N N   . ALA A 1 5  ? 30.552 25.009  23.180 1.00 5.48  ?  4   ALA A N   1 
ATOM   23   C CA  . ALA A 1 5  ? 30.556 24.103  22.045 1.00 6.37  ?  4   ALA A CA  1 
ATOM   24   C C   . ALA A 1 5  ? 30.804 22.672  22.503 1.00 5.19  ?  4   ALA A C   1 
ATOM   25   O O   . ALA A 1 5  ? 31.406 22.425  23.552 1.00 5.06  ?  4   ALA A O   1 
ATOM   26   C CB  . ALA A 1 5  ? 31.622 24.520  21.032 1.00 7.82  ?  4   ALA A CB  1 
ATOM   27   N N   . ARG A 1 6  ? 30.319 21.723  21.709 1.00 11.14 ?  5   ARG A N   1 
ATOM   28   C CA  . ARG A 1 6  ? 30.602 20.323  21.980 1.00 7.33  ?  5   ARG A CA  1 
ATOM   29   C C   . ARG A 1 6  ? 32.089 20.047  21.800 1.00 4.98  ?  5   ARG A C   1 
ATOM   30   O O   . ARG A 1 6  ? 32.740 20.612  20.917 1.00 9.67  ?  5   ARG A O   1 
ATOM   31   C CB  . ARG A 1 6  ? 29.776 19.423  21.061 1.00 6.65  ?  5   ARG A CB  1 
ATOM   32   C CG  . ARG A 1 6  ? 29.985 17.939  21.310 1.00 9.32  ?  5   ARG A CG  1 
ATOM   33   C CD  . ARG A 1 6  ? 28.801 17.116  20.844 1.00 7.95  ?  5   ARG A CD  1 
ATOM   34   N NE  . ARG A 1 6  ? 28.782 15.811  21.492 1.00 13.05 ?  5   ARG A NE  1 
ATOM   35   C CZ  . ARG A 1 6  ? 28.497 14.674  20.874 1.00 8.24  ?  5   ARG A CZ  1 
ATOM   36   N NH1 . ARG A 1 6  ? 28.162 14.647  19.595 1.00 10.50 ?  5   ARG A NH1 1 
ATOM   37   N NH2 . ARG A 1 6  ? 28.552 13.534  21.556 1.00 14.00 ?  5   ARG A NH2 1 
ATOM   38   N N   . GLY A 1 7  ? 32.627 19.183  22.655 1.00 6.44  ?  6   GLY A N   1 
ATOM   39   C CA  . GLY A 1 7  ? 34.026 18.839  22.607 1.00 6.74  ?  6   GLY A CA  1 
ATOM   40   C C   . GLY A 1 7  ? 34.403 18.111  21.334 1.00 9.11  ?  6   GLY A C   1 
ATOM   41   O O   . GLY A 1 7  ? 33.548 17.648  20.574 1.00 7.07  ?  6   GLY A O   1 
ATOM   42   N N   . PRO A 1 8  ? 35.701 18.004  21.074 1.00 8.55  ?  7   PRO A N   1 
ATOM   43   C CA  . PRO A 1 8  ? 36.154 17.250  19.905 1.00 5.49  ?  7   PRO A CA  1 
ATOM   44   C C   . PRO A 1 8  ? 35.969 15.757  20.119 1.00 12.12 ?  7   PRO A C   1 
ATOM   45   O O   . PRO A 1 8  ? 35.742 15.278  21.232 1.00 8.35  ?  7   PRO A O   1 
ATOM   46   C CB  . PRO A 1 8  ? 37.636 17.617  19.793 1.00 9.87  ?  7   PRO A CB  1 
ATOM   47   C CG  . PRO A 1 8  ? 38.040 17.982  21.181 1.00 10.33 ?  7   PRO A CG  1 
ATOM   48   C CD  . PRO A 1 8  ? 36.821 18.531  21.875 1.00 9.46  ?  7   PRO A CD  1 
ATOM   49   N N   . ALA A 1 9  ? 36.059 15.020  19.017 1.00 13.27 ?  8   ALA A N   1 
ATOM   50   C CA  . ALA A 1 9  ? 35.975 13.572  19.092 1.00 8.45  ?  8   ALA A CA  1 
ATOM   51   C C   . ALA A 1 9  ? 37.129 13.018  19.919 1.00 7.57  ?  8   ALA A C   1 
ATOM   52   O O   . ALA A 1 9  ? 38.195 13.630  20.031 1.00 8.45  ?  8   ALA A O   1 
ATOM   53   C CB  . ALA A 1 9  ? 35.988 12.961  17.691 1.00 8.93  ?  8   ALA A CB  1 
ATOM   54   N N   . GLY A 1 10 ? 36.901 11.850  20.515 1.00 8.07  ?  9   GLY A N   1 
ATOM   55   C CA  . GLY A 1 10 ? 37.932 11.168  21.256 1.00 12.35 ?  9   GLY A CA  1 
ATOM   56   C C   . GLY A 1 10 ? 39.029 10.662  20.343 1.00 10.86 ?  9   GLY A C   1 
ATOM   57   O O   . GLY A 1 10 ? 38.939 10.764  19.116 1.00 7.10  ?  9   GLY A O   1 
ATOM   58   N N   . PRO A 1 11 ? 40.095 10.118  20.921 1.00 5.90  ?  10  PRO A N   1 
ATOM   59   C CA  . PRO A 1 11 ? 41.191 9.599   20.098 1.00 10.23 ?  10  PRO A CA  1 
ATOM   60   C C   . PRO A 1 11 ? 40.767 8.344   19.347 1.00 7.40  ?  10  PRO A C   1 
ATOM   61   O O   . PRO A 1 11 ? 39.797 7.671   19.699 1.00 9.82  ?  10  PRO A O   1 
ATOM   62   C CB  . PRO A 1 11 ? 42.300 9.289   21.115 1.00 9.41  ?  10  PRO A CB  1 
ATOM   63   C CG  . PRO A 1 11 ? 41.871 9.911   22.407 1.00 13.93 ?  10  PRO A CG  1 
ATOM   64   C CD  . PRO A 1 11 ? 40.393 10.095  22.362 1.00 8.54  ?  10  PRO A CD  1 
ATOM   65   N N   . GLN A 1 12 ? 41.506 8.044   18.277 1.00 9.54  ?  11  GLN A N   1 
ATOM   66   C CA  . GLN A 1 12 ? 41.248 6.814   17.541 1.00 9.68  ?  11  GLN A CA  1 
ATOM   67   C C   . GLN A 1 12 ? 41.498 5.620   18.451 1.00 9.73  ?  11  GLN A C   1 
ATOM   68   O O   . GLN A 1 12 ? 42.404 5.637   19.290 1.00 10.74 ?  11  GLN A O   1 
ATOM   69   C CB  . GLN A 1 12 ? 42.135 6.710   16.296 1.00 15.54 ?  11  GLN A CB  1 
ATOM   70   C CG  . GLN A 1 12 ? 41.854 5.452   15.463 1.00 12.92 ?  11  GLN A CG  1 
ATOM   71   C CD  . GLN A 1 12 ? 42.958 5.119   14.479 1.00 11.77 ?  11  GLN A CD  1 
ATOM   72   O OE1 . GLN A 1 12 ? 44.058 5.656   14.562 1.00 14.07 ?  11  GLN A OE1 1 
ATOM   73   N NE2 . GLN A 1 12 ? 42.663 4.231   13.538 1.00 12.89 ?  11  GLN A NE2 1 
ATOM   74   N N   . GLY A 1 13 ? 40.684 4.583   18.288 1.00 8.37  ?  12  GLY A N   1 
ATOM   75   C CA  . GLY A 1 13 ? 40.801 3.390   19.090 1.00 7.38  ?  12  GLY A CA  1 
ATOM   76   C C   . GLY A 1 13 ? 42.080 2.628   18.816 1.00 7.08  ?  12  GLY A C   1 
ATOM   77   O O   . GLY A 1 13 ? 42.835 2.942   17.889 1.00 8.10  ?  12  GLY A O   1 
ATOM   78   N N   . PRO A 1 14 ? 42.350 1.605   19.622 1.00 6.60  ?  13  PRO A N   1 
ATOM   79   C CA  . PRO A 1 14 ? 43.597 0.854   19.460 1.00 7.02  ?  13  PRO A CA  1 
ATOM   80   C C   . PRO A 1 14 ? 43.540 -0.088  18.266 1.00 10.08 ?  13  PRO A C   1 
ATOM   81   O O   . PRO A 1 14 ? 42.476 -0.491  17.792 1.00 8.19  ?  13  PRO A O   1 
ATOM   82   C CB  . PRO A 1 14 ? 43.738 0.081   20.777 1.00 8.92  ?  13  PRO A CB  1 
ATOM   83   C CG  . PRO A 1 14 ? 42.410 0.138   21.443 1.00 11.17 ?  13  PRO A CG  1 
ATOM   84   C CD  . PRO A 1 14 ? 41.546 1.157   20.772 1.00 6.31  ?  13  PRO A CD  1 
ATOM   85   N N   . ARG A 1 15 ? 44.729 -0.424  17.777 1.00 7.60  ?  14  ARG A N   1 
ATOM   86   C CA  A ARG A 1 15 ? 44.878 -1.311  16.632 0.33 9.95  ?  14  ARG A CA  1 
ATOM   87   C CA  B ARG A 1 15 ? 44.865 -1.308  16.630 0.33 9.87  ?  14  ARG A CA  1 
ATOM   88   C CA  C ARG A 1 15 ? 44.838 -1.303  16.627 0.33 9.93  ?  14  ARG A CA  1 
ATOM   89   C C   . ARG A 1 15 ? 44.607 -2.757  17.026 1.00 12.39 ?  14  ARG A C   1 
ATOM   90   O O   . ARG A 1 15 ? 44.924 -3.186  18.138 1.00 8.08  ?  14  ARG A O   1 
ATOM   91   C CB  A ARG A 1 15 ? 46.291 -1.192  16.059 0.33 11.01 ?  14  ARG A CB  1 
ATOM   92   C CB  B ARG A 1 15 ? 46.264 -1.186  16.024 0.33 11.19 ?  14  ARG A CB  1 
ATOM   93   C CB  C ARG A 1 15 ? 46.209 -1.154  15.970 0.33 11.04 ?  14  ARG A CB  1 
ATOM   94   C CG  A ARG A 1 15 ? 46.555 -2.028  14.818 0.33 11.79 ?  14  ARG A CG  1 
ATOM   95   C CG  B ARG A 1 15 ? 46.420 -1.835  14.660 0.33 13.06 ?  14  ARG A CG  1 
ATOM   96   C CG  C ARG A 1 15 ? 46.228 -1.445  14.478 0.33 13.21 ?  14  ARG A CG  1 
ATOM   97   C CD  A ARG A 1 15 ? 47.316 -1.254  13.761 0.33 16.32 ?  14  ARG A CD  1 
ATOM   98   C CD  B ARG A 1 15 ? 47.745 -1.454  14.027 0.33 16.41 ?  14  ARG A CD  1 
ATOM   99   C CD  C ARG A 1 15 ? 47.655 -1.465  13.966 0.33 16.10 ?  14  ARG A CD  1 
ATOM   100  N NE  A ARG A 1 15 ? 46.992 -1.727  12.421 0.33 14.48 ?  14  ARG A NE  1 
ATOM   101  N NE  B ARG A 1 15 ? 48.073 -0.054  14.267 0.33 17.35 ?  14  ARG A NE  1 
ATOM   102  N NE  C ARG A 1 15 ? 48.513 -2.238  14.854 0.33 16.49 ?  14  ARG A NE  1 
ATOM   103  C CZ  A ARG A 1 15 ? 47.724 -2.598  11.741 0.33 14.53 ?  14  ARG A CZ  1 
ATOM   104  C CZ  B ARG A 1 15 ? 48.108 0.880   13.327 0.33 12.82 ?  14  ARG A CZ  1 
ATOM   105  C CZ  C ARG A 1 15 ? 49.482 -1.721  15.597 0.33 15.80 ?  14  ARG A CZ  1 
ATOM   106  N NH1 A ARG A 1 15 ? 48.841 -3.102  12.240 0.33 17.17 ?  14  ARG A NH1 1 
ATOM   107  N NH1 B ARG A 1 15 ? 47.831 0.599   12.064 0.33 14.52 ?  14  ARG A NH1 1 
ATOM   108  N NH1 C ARG A 1 15 ? 49.750 -0.426  15.580 0.33 15.71 ?  14  ARG A NH1 1 
ATOM   109  N NH2 A ARG A 1 15 ? 47.325 -2.975  10.530 0.33 16.62 ?  14  ARG A NH2 1 
ATOM   110  N NH2 B ARG A 1 15 ? 48.425 2.127   13.663 0.33 15.19 ?  14  ARG A NH2 1 
ATOM   111  N NH2 C ARG A 1 15 ? 50.191 -2.524  16.386 0.33 18.03 ?  14  ARG A NH2 1 
ATOM   112  N N   . GLY A 1 16 ? 44.029 -3.512  16.096 1.00 12.18 ?  15  GLY A N   1 
ATOM   113  C CA  . GLY A 1 16 ? 43.844 -4.926  16.320 1.00 7.54  ?  15  GLY A CA  1 
ATOM   114  C C   . GLY A 1 16 ? 45.154 -5.684  16.218 1.00 8.03  ?  15  GLY A C   1 
ATOM   115  O O   . GLY A 1 16 ? 46.126 -5.230  15.614 1.00 8.47  ?  15  GLY A O   1 
ATOM   116  N N   . ASP A 1 17 ? 45.178 -6.858  16.838 1.00 8.47  ?  16  ASP A N   1 
ATOM   117  C CA  . ASP A 1 17 ? 46.375 -7.683  16.820 1.00 8.09  ?  16  ASP A CA  1 
ATOM   118  C C   . ASP A 1 17 ? 46.624 -8.237  15.422 1.00 9.09  ?  16  ASP A C   1 
ATOM   119  O O   . ASP A 1 17 ? 45.704 -8.380  14.612 1.00 7.68  ?  16  ASP A O   1 
ATOM   120  C CB  . ASP A 1 17 ? 46.247 -8.834  17.818 1.00 8.38  ?  16  ASP A CB  1 
ATOM   121  C CG  . ASP A 1 17 ? 46.921 -8.536  19.142 1.00 15.62 ?  16  ASP A CG  1 
ATOM   122  O OD1 . ASP A 1 17 ? 47.967 -7.853  19.142 1.00 11.62 ?  16  ASP A OD1 1 
ATOM   123  O OD2 . ASP A 1 17 ? 46.404 -8.988  20.186 1.00 13.57 ?  16  ASP A OD2 1 
ATOM   124  N N   . LYS A 1 18 ? 47.890 -8.539  15.139 1.00 12.21 ?  17  LYS A N   1 
ATOM   125  C CA  . LYS A 1 18 ? 48.224 -9.249  13.912 1.00 10.81 ?  17  LYS A CA  1 
ATOM   126  C C   . LYS A 1 18 ? 47.493 -10.584 13.870 1.00 8.21  ?  17  LYS A C   1 
ATOM   127  O O   . LYS A 1 18 ? 47.349 -11.264 14.889 1.00 10.77 ?  17  LYS A O   1 
ATOM   128  C CB  . LYS A 1 18 ? 49.735 -9.469  13.814 1.00 12.63 ?  17  LYS A CB  1 
ATOM   129  C CG  . LYS A 1 18 ? 50.199 -10.022 12.472 1.00 14.41 ?  17  LYS A CG  1 
ATOM   130  C CD  . LYS A 1 18 ? 51.671 -10.401 12.506 1.00 11.55 ?  17  LYS A CD  1 
ATOM   131  C CE  . LYS A 1 18 ? 52.207 -10.684 11.110 1.00 16.04 ?  17  LYS A CE  1 
ATOM   132  N NZ  . LYS A 1 18 ? 53.565 -11.298 11.150 1.00 25.39 ?  17  LYS A NZ  1 
ATOM   133  N N   . GLY A 1 19 ? 47.020 -10.950 12.685 1.00 9.26  ?  18  GLY A N   1 
ATOM   134  C CA  . GLY A 1 19 ? 46.298 -12.197 12.521 1.00 11.22 ?  18  GLY A CA  1 
ATOM   135  C C   . GLY A 1 19 ? 47.157 -13.404 12.850 1.00 9.80  ?  18  GLY A C   1 
ATOM   136  O O   . GLY A 1 19 ? 48.383 -13.345 12.933 1.00 12.30 ?  18  GLY A O   1 
ATOM   137  N N   . GLU A 1 20 ? 46.480 -14.529 13.050 1.00 8.08  ?  19  GLU A N   1 
ATOM   138  C CA  . GLU A 1 20 ? 47.174 -15.764 13.375 1.00 9.74  ?  19  GLU A CA  1 
ATOM   139  C C   . GLU A 1 20 ? 47.803 -16.367 12.125 1.00 8.78  ?  19  GLU A C   1 
ATOM   140  O O   . GLU A 1 20 ? 47.337 -16.157 11.001 1.00 9.84  ?  19  GLU A O   1 
ATOM   141  C CB  . GLU A 1 20 ? 46.222 -16.776 14.015 1.00 10.29 ?  19  GLU A CB  1 
ATOM   142  C CG  . GLU A 1 20 ? 45.766 -16.415 15.422 1.00 16.47 ?  19  GLU A CG  1 
ATOM   143  C CD  . GLU A 1 20 ? 46.921 -16.217 16.389 1.00 14.37 ?  19  GLU A CD  1 
ATOM   144  O OE1 . GLU A 1 20 ? 47.549 -17.218 16.790 1.00 19.06 ?  19  GLU A OE1 1 
ATOM   145  O OE2 . GLU A 1 20 ? 47.192 -15.054 16.759 1.00 11.86 ?  19  GLU A OE2 1 
ATOM   146  N N   . THR A 1 21 ? 48.881 -17.118 12.336 1.00 11.40 ?  20  THR A N   1 
ATOM   147  C CA  . THR A 1 21 ? 49.557 -17.796 11.240 1.00 9.92  ?  20  THR A CA  1 
ATOM   148  C C   . THR A 1 21 ? 48.630 -18.837 10.621 1.00 9.96  ?  20  THR A C   1 
ATOM   149  O O   . THR A 1 21 ? 47.800 -19.443 11.303 1.00 12.71 ?  20  THR A O   1 
ATOM   150  C CB  . THR A 1 21 ? 50.843 -18.454 11.749 1.00 15.91 ?  20  THR A CB  1 
ATOM   151  O OG1 . THR A 1 21 ? 51.709 -17.449 12.291 1.00 22.29 ?  20  THR A OG1 1 
ATOM   152  C CG2 . THR A 1 21 ? 51.577 -19.172 10.626 1.00 17.20 ?  20  THR A CG2 1 
ATOM   153  N N   . GLY A 1 22 ? 48.763 -19.027 9.310  1.00 10.48 ?  21  GLY A N   1 
ATOM   154  C CA  . GLY A 1 22 ? 47.958 -20.017 8.625  1.00 10.25 ?  21  GLY A CA  1 
ATOM   155  C C   . GLY A 1 22 ? 48.207 -21.421 9.142  1.00 10.12 ?  21  GLY A C   1 
ATOM   156  O O   . GLY A 1 22 ? 49.190 -21.708 9.827  1.00 16.55 ?  21  GLY A O   1 
ATOM   157  N N   . GLU A 1 23 ? 47.279 -22.313 8.810  1.00 12.47 ?  22  GLU A N   1 
ATOM   158  C CA  . GLU A 1 23 ? 47.413 -23.704 9.206  1.00 12.52 ?  22  GLU A CA  1 
ATOM   159  C C   . GLU A 1 23 ? 48.473 -24.402 8.359  1.00 16.38 ?  22  GLU A C   1 
ATOM   160  O O   . GLU A 1 23 ? 48.876 -23.921 7.296  1.00 14.79 ?  22  GLU A O   1 
ATOM   161  C CB  . GLU A 1 23 ? 46.071 -24.427 9.083  1.00 19.24 ?  22  GLU A CB  1 
ATOM   162  C CG  . GLU A 1 23 ? 45.702 -24.839 7.667  1.00 21.32 ?  22  GLU A CG  1 
ATOM   163  C CD  . GLU A 1 23 ? 44.772 -23.844 6.998  1.00 22.28 ?  22  GLU A CD  1 
ATOM   164  O OE1 . GLU A 1 23 ? 44.930 -22.627 7.234  1.00 18.75 ?  22  GLU A OE1 1 
ATOM   165  O OE2 . GLU A 1 23 ? 43.874 -24.280 6.249  1.00 18.12 ?  22  GLU A OE2 1 
ATOM   166  N N   . GLN A 1 24 ? 48.932 -25.550 8.851  1.00 12.18 ?  23  GLN A N   1 
ATOM   167  C CA  . GLN A 1 24 ? 49.953 -26.305 8.140  1.00 14.98 ?  23  GLN A CA  1 
ATOM   168  C C   . GLN A 1 24 ? 49.406 -26.836 6.821  1.00 12.81 ?  23  GLN A C   1 
ATOM   169  O O   . GLN A 1 24 ? 48.214 -27.124 6.683  1.00 21.31 ?  23  GLN A O   1 
ATOM   170  C CB  . GLN A 1 24 ? 50.471 -27.460 8.999  1.00 21.66 ?  23  GLN A CB  1 
ATOM   171  C CG  . GLN A 1 24 ? 51.844 -27.975 8.574  1.00 25.90 ?  23  GLN A CG  1 
ATOM   172  C CD  . GLN A 1 24 ? 52.594 -28.663 9.700  1.00 23.45 ?  23  GLN A CD  1 
ATOM   173  O OE1 . GLN A 1 24 ? 52.123 -28.715 10.835 1.00 28.46 ?  23  GLN A OE1 1 
ATOM   174  N NE2 . GLN A 1 24 ? 53.772 -29.195 9.388  1.00 27.12 ?  23  GLN A NE2 1 
ATOM   175  N N   . GLY A 1 25 ? 50.295 -26.954 5.843  1.00 19.82 ?  24  GLY A N   1 
ATOM   176  C CA  . GLY A 1 25 ? 49.917 -27.426 4.532  1.00 15.13 ?  24  GLY A CA  1 
ATOM   177  C C   . GLY A 1 25 ? 49.631 -28.915 4.518  1.00 22.91 ?  24  GLY A C   1 
ATOM   178  O O   . GLY A 1 25 ? 49.801 -29.636 5.502  1.00 22.24 ?  24  GLY A O   1 
ATOM   179  N N   . ASP A 1 26 ? 49.180 -29.378 3.356  1.00 17.13 ?  25  ASP A N   1 
ATOM   180  C CA  . ASP A 1 26 ? 48.871 -30.788 3.180  1.00 15.62 ?  25  ASP A CA  1 
ATOM   181  C C   . ASP A 1 26 ? 50.129 -31.635 3.336  1.00 20.74 ?  25  ASP A C   1 
ATOM   182  O O   . ASP A 1 26 ? 51.243 -31.196 3.038  1.00 25.22 ?  25  ASP A O   1 
ATOM   183  C CB  . ASP A 1 26 ? 48.251 -31.031 1.803  1.00 16.36 ?  25  ASP A CB  1 
ATOM   184  C CG  . ASP A 1 26 ? 46.921 -30.328 1.629  1.00 27.00 ?  25  ASP A CG  1 
ATOM   185  O OD1 . ASP A 1 26 ? 46.255 -30.052 2.648  1.00 22.42 ?  25  ASP A OD1 1 
ATOM   186  O OD2 . ASP A 1 26 ? 46.538 -30.058 0.472  1.00 29.27 ?  25  ASP A OD2 1 
ATOM   187  N N   . ARG A 1 27 ? 49.940 -32.860 3.821  1.00 14.87 ?  26  ARG A N   1 
ATOM   188  C CA  . ARG A 1 27 ? 51.033 -33.818 3.856  1.00 15.91 ?  26  ARG A CA  1 
ATOM   189  C C   . ARG A 1 27 ? 51.490 -34.122 2.436  1.00 19.90 ?  26  ARG A C   1 
ATOM   190  O O   . ARG A 1 27 ? 50.684 -34.170 1.503  1.00 25.38 ?  26  ARG A O   1 
ATOM   191  C CB  . ARG A 1 27 ? 50.592 -35.103 4.560  1.00 20.89 ?  26  ARG A CB  1 
ATOM   192  C CG  . ARG A 1 27 ? 51.579 -36.256 4.472  1.00 19.33 ?  26  ARG A CG  1 
ATOM   193  C CD  . ARG A 1 27 ? 51.449 -37.191 5.663  1.00 21.32 ?  26  ARG A CD  1 
ATOM   194  N NE  . ARG A 1 27 ? 52.649 -37.993 5.864  1.00 24.15 ?  26  ARG A NE  1 
ATOM   195  C CZ  . ARG A 1 27 ? 52.647 -39.263 6.248  1.00 22.07 ?  26  ARG A CZ  1 
ATOM   196  N NH1 . ARG A 1 27 ? 51.519 -39.917 6.468  1.00 20.51 ?  26  ARG A NH1 1 
ATOM   197  N NH2 . ARG A 1 27 ? 53.807 -39.889 6.426  1.00 22.07 ?  26  ARG A NH2 1 
ATOM   198  N N   . GLY A 1 28 ? 52.796 -34.308 2.269  1.00 18.40 ?  27  GLY A N   1 
ATOM   199  C CA  . GLY A 1 28 ? 53.322 -34.656 0.966  1.00 18.98 ?  27  GLY A CA  1 
ATOM   200  C C   . GLY A 1 28 ? 52.801 -35.993 0.478  1.00 21.37 ?  27  GLY A C   1 
ATOM   201  O O   . GLY A 1 28 ? 52.311 -36.826 1.241  1.00 24.92 ?  27  GLY A O   1 
ATOM   202  N N   . ILE A 1 29 ? 52.893 -36.184 -0.840 1.00 25.24 ?  28  ILE A N   1 
ATOM   203  C CA  . ILE A 1 29 ? 52.565 -37.480 -1.415 1.00 31.20 ?  28  ILE A CA  1 
ATOM   204  C C   . ILE A 1 29 ? 53.547 -38.519 -0.882 1.00 26.76 ?  28  ILE A C   1 
ATOM   205  O O   . ILE A 1 29 ? 54.704 -38.212 -0.567 1.00 32.84 ?  28  ILE A O   1 
ATOM   206  C CB  . ILE A 1 29 ? 52.588 -37.413 -2.952 1.00 30.71 ?  28  ILE A CB  1 
ATOM   207  C CG1 . ILE A 1 29 ? 51.693 -38.497 -3.551 1.00 34.04 ?  28  ILE A CG1 1 
ATOM   208  C CG2 . ILE A 1 29 ? 54.009 -37.510 -3.494 1.00 31.21 ?  28  ILE A CG2 1 
ATOM   209  C CD1 . ILE A 1 29 ? 51.461 -38.337 -5.030 1.00 33.99 ?  28  ILE A CD1 1 
ATOM   210  N N   . LYS A 1 30 ? 53.108 -39.765 -0.796 1.00 28.50 ?  29  LYS A N   1 
ATOM   211  C CA  . LYS A 1 30 ? 53.954 -40.790 -0.174 1.00 32.64 ?  29  LYS A CA  1 
ATOM   212  C C   . LYS A 1 30 ? 55.090 -41.314 -0.999 1.00 36.28 ?  29  LYS A C   1 
ATOM   213  O O   . LYS A 1 30 ? 55.166 -41.057 -2.197 1.00 36.40 ?  29  LYS A O   1 
ATOM   214  C CB  . LYS A 1 30 ? 53.114 -41.973 0.339  1.00 31.88 ?  29  LYS A CB  1 
ATOM   215  C CG  . LYS A 1 30 ? 52.810 -43.070 -0.656 1.00 33.37 ?  29  LYS A CG  1 
ATOM   216  C CD  . LYS A 1 30 ? 51.811 -44.050 -0.073 1.00 35.15 ?  29  LYS A CD  1 
ATOM   217  C CE  . LYS A 1 30 ? 52.514 -45.149 0.707  1.00 36.80 ?  29  LYS A CE  1 
ATOM   218  N NZ  . LYS A 1 30 ? 51.556 -46.214 1.108  1.00 34.24 ?  29  LYS A NZ  1 
ATOM   219  N N   . GLY A 1 31 ? 55.993 -42.024 -0.344 1.00 40.88 ?  30  GLY A N   1 
ATOM   220  C CA  . GLY A 1 31 ? 57.080 -42.656 -1.046 1.00 38.34 ?  30  GLY A CA  1 
ATOM   221  C C   . GLY A 1 31 ? 56.622 -44.016 -1.523 1.00 39.96 ?  30  GLY A C   1 
ATOM   222  O O   . GLY A 1 31 ? 55.800 -44.675 -0.885 1.00 41.47 ?  30  GLY A O   1 
HETATM 223  C C   . ACE B 2 1  ? 27.455 36.004  27.066 1.00 19.28 ?  0   ACE B C   1 
HETATM 224  O O   . ACE B 2 1  ? 27.272 35.622  25.911 1.00 12.68 ?  0   ACE B O   1 
HETATM 225  C CH3 . ACE B 2 1  ? 26.411 36.748  27.842 1.00 13.22 ?  0   ACE B CH3 1 
ATOM   226  N N   . ALA B 2 2  ? 28.593 35.786  27.716 1.00 13.05 ?  1   ALA B N   1 
ATOM   227  C CA  . ALA B 2 2  ? 29.704 35.077  27.094 1.00 11.25 ?  1   ALA B CA  1 
ATOM   228  C C   . ALA B 2 2  ? 29.402 33.591  26.945 1.00 7.60  ?  1   ALA B C   1 
ATOM   229  O O   . ALA B 2 2  ? 28.805 32.975  27.829 1.00 7.17  ?  1   ALA B O   1 
ATOM   230  C CB  . ALA B 2 2  ? 30.977 35.278  27.898 1.00 11.61 ?  1   ALA B CB  1 
ATOM   231  N N   . VAL B 2 3  ? 29.820 33.023  25.812 1.00 8.53  ?  2   VAL B N   1 
ATOM   232  C CA  . VAL B 2 3  ? 29.633 31.599  25.580 1.00 7.95  ?  2   VAL B CA  1 
ATOM   233  C C   . VAL B 2 3  ? 30.463 30.797  26.581 1.00 9.24  ?  2   VAL B C   1 
ATOM   234  O O   . VAL B 2 3  ? 31.544 31.220  27.013 1.00 8.35  ?  2   VAL B O   1 
ATOM   235  C CB  . VAL B 2 3  ? 30.005 31.244  24.130 1.00 11.90 ?  2   VAL B CB  1 
ATOM   236  C CG1 . VAL B 2 3  ? 31.465 31.557  23.877 1.00 9.79  ?  2   VAL B CG1 1 
ATOM   237  C CG2 . VAL B 2 3  ? 29.710 29.780  23.833 1.00 12.68 ?  2   VAL B CG2 1 
ATOM   238  N N   . GLY B 2 4  ? 29.943 29.633  26.964 1.00 6.68  ?  3   GLY B N   1 
ATOM   239  C CA  . GLY B 2 4  ? 30.638 28.748  27.866 1.00 7.06  ?  3   GLY B CA  1 
ATOM   240  C C   . GLY B 2 4  ? 31.841 28.100  27.212 1.00 10.24 ?  3   GLY B C   1 
ATOM   241  O O   . GLY B 2 4  ? 32.006 28.130  25.988 1.00 9.42  ?  3   GLY B O   1 
ATOM   242  N N   . PRO B 2 5  ? 32.714 27.508  28.022 1.00 7.85  ?  4   PRO B N   1 
ATOM   243  C CA  . PRO B 2 5  ? 33.902 26.849  27.466 1.00 6.00  ?  4   PRO B CA  1 
ATOM   244  C C   . PRO B 2 5  ? 33.535 25.578  26.717 1.00 5.72  ?  4   PRO B C   1 
ATOM   245  O O   . PRO B 2 5  ? 32.524 24.930  27.001 1.00 6.62  ?  4   PRO B O   1 
ATOM   246  C CB  . PRO B 2 5  ? 34.748 26.536  28.708 1.00 11.24 ?  4   PRO B CB  1 
ATOM   247  C CG  . PRO B 2 5  ? 33.768 26.528  29.842 1.00 12.18 ?  4   PRO B CG  1 
ATOM   248  C CD  . PRO B 2 5  ? 32.744 27.560  29.493 1.00 10.04 ?  4   PRO B CD  1 
ATOM   249  N N   . ARG B 2 6  ? 34.376 25.227  25.745 1.00 5.52  ?  5   ARG B N   1 
ATOM   250  C CA  . ARG B 2 6  ? 34.132 24.030  24.952 1.00 7.83  ?  5   ARG B CA  1 
ATOM   251  C C   . ARG B 2 6  ? 34.190 22.788  25.831 1.00 7.94  ?  5   ARG B C   1 
ATOM   252  O O   . ARG B 2 6  ? 35.002 22.697  26.756 1.00 12.37 ?  5   ARG B O   1 
ATOM   253  C CB  . ARG B 2 6  ? 35.148 23.913  23.811 1.00 8.05  ?  5   ARG B CB  1 
ATOM   254  C CG  . ARG B 2 6  ? 34.797 22.812  22.814 1.00 5.17  ?  5   ARG B CG  1 
ATOM   255  C CD  . ARG B 2 6  ? 35.913 22.512  21.824 1.00 11.42 ?  5   ARG B CD  1 
ATOM   256  N NE  . ARG B 2 6  ? 35.417 21.707  20.713 1.00 7.31  ?  5   ARG B NE  1 
ATOM   257  C CZ  . ARG B 2 6  ? 36.151 21.299  19.686 1.00 6.43  ?  5   ARG B CZ  1 
ATOM   258  N NH1 . ARG B 2 6  ? 37.438 21.592  19.595 1.00 5.17  ?  5   ARG B NH1 1 
ATOM   259  N NH2 . ARG B 2 6  ? 35.579 20.575  18.727 1.00 11.44 ?  5   ARG B NH2 1 
ATOM   260  N N   . GLY B 2 7  ? 33.315 21.830  25.536 1.00 5.48  ?  6   GLY B N   1 
ATOM   261  C CA  . GLY B 2 7  ? 33.246 20.598  26.284 1.00 5.79  ?  6   GLY B CA  1 
ATOM   262  C C   . GLY B 2 7  ? 34.499 19.760  26.137 1.00 9.42  ?  6   GLY B C   1 
ATOM   263  O O   . GLY B 2 7  ? 35.345 20.008  25.273 1.00 5.56  ?  6   GLY B O   1 
ATOM   264  N N   . PRO B 2 8  ? 34.642 18.749  26.987 1.00 9.08  ?  7   PRO B N   1 
ATOM   265  C CA  . PRO B 2 8  ? 35.844 17.913  26.954 1.00 7.32  ?  7   PRO B CA  1 
ATOM   266  C C   . PRO B 2 8  ? 35.824 16.941  25.781 1.00 14.03 ?  7   PRO B C   1 
ATOM   267  O O   . PRO B 2 8  ? 34.824 16.775  25.082 1.00 8.42  ?  7   PRO B O   1 
ATOM   268  C CB  . PRO B 2 8  ? 35.790 17.166  28.291 1.00 8.59  ?  7   PRO B CB  1 
ATOM   269  C CG  . PRO B 2 8  ? 34.341 17.105  28.617 1.00 15.20 ?  7   PRO B CG  1 
ATOM   270  C CD  . PRO B 2 8  ? 33.742 18.383  28.094 1.00 12.13 ?  7   PRO B CD  1 
ATOM   271  N N   . SER B 2 9  ? 36.968 16.292  25.582 1.00 6.24  ?  8   SER B N   1 
ATOM   272  C CA  . SER B 2 9  ? 37.102 15.307  24.521 1.00 11.63 ?  8   SER B CA  1 
ATOM   273  C C   . SER B 2 9  ? 36.203 14.107  24.787 1.00 9.76  ?  8   SER B C   1 
ATOM   274  O O   . SER B 2 9  ? 35.941 13.737  25.936 1.00 13.50 ?  8   SER B O   1 
ATOM   275  C CB  . SER B 2 9  ? 38.553 14.843  24.405 1.00 7.35  ?  8   SER B CB  1 
ATOM   276  O OG  . SER B 2 9  ? 39.357 15.830  23.787 1.00 21.89 ?  8   SER B OG  1 
ATOM   277  N N   . GLY B 2 10 ? 35.727 13.495  23.703 1.00 9.46  ?  9   GLY B N   1 
ATOM   278  C CA  . GLY B 2 10 ? 34.934 12.306  23.805 1.00 9.25  ?  9   GLY B CA  1 
ATOM   279  C C   . GLY B 2 10 ? 35.781 11.096  24.154 1.00 10.27 ?  9   GLY B C   1 
ATOM   280  O O   . GLY B 2 10 ? 37.007 11.186  24.311 1.00 6.85  ?  9   GLY B O   1 
ATOM   281  N N   . PRO B 2 11 ? 35.131 9.943   24.272 1.00 13.27 ?  10  PRO B N   1 
ATOM   282  C CA  . PRO B 2 11 ? 35.862 8.727   24.634 1.00 12.74 ?  10  PRO B CA  1 
ATOM   283  C C   . PRO B 2 11 ? 36.652 8.185   23.454 1.00 11.04 ?  10  PRO B C   1 
ATOM   284  O O   . PRO B 2 11 ? 36.358 8.458   22.288 1.00 10.27 ?  10  PRO B O   1 
ATOM   285  C CB  . PRO B 2 11 ? 34.756 7.755   25.061 1.00 11.93 ?  10  PRO B CB  1 
ATOM   286  C CG  . PRO B 2 11 ? 33.500 8.266   24.413 1.00 12.07 ?  10  PRO B CG  1 
ATOM   287  C CD  . PRO B 2 11 ? 33.734 9.665   23.900 1.00 12.42 ?  10  PRO B CD  1 
ATOM   288  N N   . GLN B 2 12 ? 37.686 7.414   23.782 1.00 7.76  ?  11  GLN B N   1 
ATOM   289  C CA  . GLN B 2 12 ? 38.504 6.788   22.752 1.00 7.96  ?  11  GLN B CA  1 
ATOM   290  C C   . GLN B 2 12 ? 37.672 5.789   21.955 1.00 11.07 ?  11  GLN B C   1 
ATOM   291  O O   . GLN B 2 12 ? 36.738 5.170   22.473 1.00 8.86  ?  11  GLN B O   1 
ATOM   292  C CB  . GLN B 2 12 ? 39.715 6.091   23.381 1.00 11.62 ?  11  GLN B CB  1 
ATOM   293  C CG  . GLN B 2 12 ? 40.532 5.236   22.411 1.00 16.75 ?  11  GLN B CG  1 
ATOM   294  C CD  . GLN B 2 12 ? 41.838 4.745   23.004 1.00 18.64 ?  11  GLN B CD  1 
ATOM   295  O OE1 . GLN B 2 12 ? 41.915 4.427   24.190 1.00 22.45 ?  11  GLN B OE1 1 
ATOM   296  N NE2 . GLN B 2 12 ? 42.877 4.682   22.178 1.00 12.86 ?  11  GLN B NE2 1 
ATOM   297  N N   . GLY B 2 13 ? 38.011 5.649   20.679 1.00 9.13  ?  12  GLY B N   1 
ATOM   298  C CA  . GLY B 2 13 ? 37.348 4.679   19.832 1.00 6.89  ?  12  GLY B CA  1 
ATOM   299  C C   . GLY B 2 13 ? 37.583 3.254   20.297 1.00 7.02  ?  12  GLY B C   1 
ATOM   300  O O   . GLY B 2 13 ? 38.409 2.958   21.161 1.00 10.55 ?  12  GLY B O   1 
ATOM   301  N N   . ILE B 2 14 ? 36.819 2.348   19.696 1.00 8.39  ?  13  ILE B N   1 
ATOM   302  C CA  . ILE B 2 14 ? 36.929 0.935   20.025 1.00 9.92  ?  13  ILE B CA  1 
ATOM   303  C C   . ILE B 2 14 ? 38.125 0.324   19.303 1.00 9.21  ?  13  ILE B C   1 
ATOM   304  O O   . ILE B 2 14 ? 38.681 0.898   18.362 1.00 6.45  ?  13  ILE B O   1 
ATOM   305  C CB  . ILE B 2 14 ? 35.627 0.193   19.681 1.00 9.25  ?  13  ILE B CB  1 
ATOM   306  C CG1 . ILE B 2 14 ? 35.372 0.252   18.176 1.00 7.18  ?  13  ILE B CG1 1 
ATOM   307  C CG2 . ILE B 2 14 ? 34.458 0.783   20.453 1.00 17.25 ?  13  ILE B CG2 1 
ATOM   308  C CD1 . ILE B 2 14 ? 34.546 -0.891  17.652 1.00 11.96 ?  13  ILE B CD1 1 
ATOM   309  N N   . ARG B 2 15 ? 38.527 -0.860  19.757 1.00 6.38  ?  14  ARG B N   1 
ATOM   310  C CA  . ARG B 2 15 ? 39.652 -1.545  19.140 1.00 6.29  ?  14  ARG B CA  1 
ATOM   311  C C   . ARG B 2 15 ? 39.267 -2.075  17.766 1.00 9.23  ?  14  ARG B C   1 
ATOM   312  O O   . ARG B 2 15 ? 38.144 -2.539  17.551 1.00 13.67 ?  14  ARG B O   1 
ATOM   313  C CB  . ARG B 2 15 ? 40.139 -2.695  20.022 1.00 6.68  ?  14  ARG B CB  1 
ATOM   314  C CG  . ARG B 2 15 ? 41.508 -3.224  19.609 1.00 6.46  ?  14  ARG B CG  1 
ATOM   315  C CD  . ARG B 2 15 ? 41.937 -4.463  20.381 1.00 7.58  ?  14  ARG B CD  1 
ATOM   316  N NE  . ARG B 2 15 ? 43.292 -4.859  20.009 1.00 6.91  ?  14  ARG B NE  1 
ATOM   317  C CZ  . ARG B 2 15 ? 43.991 -5.821  20.597 1.00 10.60 ?  14  ARG B CZ  1 
ATOM   318  N NH1 . ARG B 2 15 ? 43.486 -6.537  21.590 1.00 7.81  ?  14  ARG B NH1 1 
ATOM   319  N NH2 . ARG B 2 15 ? 45.228 -6.072  20.178 1.00 9.01  ?  14  ARG B NH2 1 
ATOM   320  N N   . GLY B 2 16 ? 40.209 -1.996  16.829 1.00 7.90  ?  15  GLY B N   1 
ATOM   321  C CA  . GLY B 2 16 ? 40.002 -2.598  15.531 1.00 8.33  ?  15  GLY B CA  1 
ATOM   322  C C   . GLY B 2 16 ? 39.969 -4.111  15.609 1.00 12.66 ?  15  GLY B C   1 
ATOM   323  O O   . GLY B 2 16 ? 40.386 -4.724  16.592 1.00 7.06  ?  15  GLY B O   1 
ATOM   324  N N   . ASP B 2 17 ? 39.459 -4.725  14.546 1.00 8.70  ?  16  ASP B N   1 
ATOM   325  C CA  . ASP B 2 17 ? 39.365 -6.176  14.519 1.00 7.88  ?  16  ASP B CA  1 
ATOM   326  C C   . ASP B 2 17 ? 40.741 -6.818  14.431 1.00 11.61 ?  16  ASP B C   1 
ATOM   327  O O   . ASP B 2 17 ? 41.696 -6.241  13.904 1.00 6.54  ?  16  ASP B O   1 
ATOM   328  C CB  . ASP B 2 17 ? 38.511 -6.653  13.347 1.00 8.74  ?  16  ASP B CB  1 
ATOM   329  C CG  . ASP B 2 17 ? 37.104 -6.120  13.398 1.00 15.53 ?  16  ASP B CG  1 
ATOM   330  O OD1 . ASP B 2 17 ? 36.474 -6.220  14.473 1.00 17.03 ?  16  ASP B OD1 1 
ATOM   331  O OD2 . ASP B 2 17 ? 36.618 -5.619  12.364 1.00 20.93 ?  16  ASP B OD2 1 
ATOM   332  N N   . LYS B 2 18 ? 40.824 -8.031  14.963 1.00 8.80  ?  17  LYS B N   1 
ATOM   333  C CA  . LYS B 2 18 ? 42.018 -8.841  14.817 1.00 9.42  ?  17  LYS B CA  1 
ATOM   334  C C   . LYS B 2 18 ? 42.227 -9.176  13.345 1.00 6.56  ?  17  LYS B C   1 
ATOM   335  O O   . LYS B 2 18 ? 41.266 -9.381  12.598 1.00 9.46  ?  17  LYS B O   1 
ATOM   336  C CB  . LYS B 2 18 ? 41.871 -10.113 15.651 1.00 7.08  ?  17  LYS B CB  1 
ATOM   337  C CG  . LYS B 2 18 ? 42.717 -11.288 15.219 1.00 14.83 ?  17  LYS B CG  1 
ATOM   338  C CD  . LYS B 2 18 ? 43.665 -11.645 16.348 1.00 12.42 ?  17  LYS B CD  1 
ATOM   339  C CE  . LYS B 2 18 ? 44.424 -12.928 16.085 1.00 7.60  ?  17  LYS B CE  1 
ATOM   340  N NZ  . LYS B 2 18 ? 45.822 -12.830 16.588 1.00 7.98  ?  17  LYS B NZ  1 
ATOM   341  N N   . GLY B 2 19 ? 43.486 -9.213  12.925 1.00 6.52  ?  18  GLY B N   1 
ATOM   342  C CA  . GLY B 2 19 ? 43.806 -9.488  11.539 1.00 6.91  ?  18  GLY B CA  1 
ATOM   343  C C   . GLY B 2 19 ? 43.321 -10.854 11.089 1.00 7.78  ?  18  GLY B C   1 
ATOM   344  O O   . GLY B 2 19 ? 42.973 -11.733 11.877 1.00 10.08 ?  18  GLY B O   1 
ATOM   345  N N   . GLU B 2 20 ? 43.294 -11.025 9.772  1.00 9.12  ?  19  GLU B N   1 
ATOM   346  C CA  . GLU B 2 20 ? 42.870 -12.290 9.192  1.00 10.13 ?  19  GLU B CA  1 
ATOM   347  C C   . GLU B 2 20 ? 43.967 -13.334 9.331  1.00 9.71  ?  19  GLU B C   1 
ATOM   348  O O   . GLU B 2 20 ? 45.151 -13.002 9.385  1.00 12.40 ?  19  GLU B O   1 
ATOM   349  C CB  . GLU B 2 20 ? 42.487 -12.120 7.721  1.00 14.14 ?  19  GLU B CB  1 
ATOM   350  C CG  . GLU B 2 20 ? 41.235 -11.292 7.504  1.00 20.71 ?  19  GLU B CG  1 
ATOM   351  C CD  . GLU B 2 20 ? 39.969 -12.117 7.626  1.00 18.67 ?  19  GLU B CD  1 
ATOM   352  O OE1 . GLU B 2 20 ? 39.870 -13.166 6.953  1.00 31.96 ?  19  GLU B OE1 1 
ATOM   353  O OE2 . GLU B 2 20 ? 39.074 -11.716 8.397  1.00 24.83 ?  19  GLU B OE2 1 
HETATM 354  N N   . HYP B 2 21 ? 43.563 -14.596 9.405  1.00 9.53  ?  20  HYP B N   1 
HETATM 355  C CA  . HYP B 2 21 ? 44.530 -15.700 9.435  1.00 7.91  ?  20  HYP B CA  1 
HETATM 356  C C   . HYP B 2 21 ? 45.360 -15.767 8.105  1.00 9.41  ?  20  HYP B C   1 
HETATM 357  O O   . HYP B 2 21 ? 44.820 -15.475 7.023  1.00 9.35  ?  20  HYP B O   1 
HETATM 358  C CB  . HYP B 2 21 ? 43.753 -17.014 9.676  1.00 7.96  ?  20  HYP B CB  1 
HETATM 359  C CG  . HYP B 2 21 ? 42.350 -16.583 10.133 1.00 12.20 ?  20  HYP B CG  1 
HETATM 360  C CD  . HYP B 2 21 ? 42.221 -15.220 9.423  1.00 14.97 ?  20  HYP B CD  1 
HETATM 361  O OD1 . HYP B 2 21 ? 42.169 -16.498 11.510 1.00 19.21 ?  20  HYP B OD1 1 
ATOM   362  N N   . GLY B 2 22 ? 46.635 -16.124 8.209  1.00 11.42 ?  21  GLY B N   1 
ATOM   363  C CA  . GLY B 2 22 ? 47.457 -16.324 7.032  1.00 8.20  ?  21  GLY B CA  1 
ATOM   364  C C   . GLY B 2 22 ? 46.911 -17.468 6.204  1.00 16.68 ?  21  GLY B C   1 
ATOM   365  O O   . GLY B 2 22 ? 46.087 -18.248 6.683  1.00 13.30 ?  21  GLY B O   1 
ATOM   366  N N   . GLU B 2 23 ? 47.354 -17.576 4.957  1.00 17.91 ?  22  GLU B N   1 
ATOM   367  C CA  . GLU B 2 23 ? 46.857 -18.654 4.119  1.00 18.77 ?  22  GLU B CA  1 
ATOM   368  C C   . GLU B 2 23 ? 47.506 -19.982 4.495  1.00 21.56 ?  22  GLU B C   1 
ATOM   369  O O   . GLU B 2 23 ? 48.519 -20.038 5.199  1.00 13.63 ?  22  GLU B O   1 
ATOM   370  C CB  . GLU B 2 23 ? 47.094 -18.347 2.640  1.00 20.60 ?  22  GLU B CB  1 
ATOM   371  C CG  . GLU B 2 23 ? 46.896 -16.886 2.264  1.00 22.64 ?  22  GLU B CG  1 
ATOM   372  C CD  . GLU B 2 23 ? 45.460 -16.406 2.441  1.00 29.87 ?  22  GLU B CD  1 
ATOM   373  O OE1 . GLU B 2 23 ? 44.565 -17.232 2.725  1.00 31.14 ?  22  GLU B OE1 1 
ATOM   374  O OE2 . GLU B 2 23 ? 45.226 -15.188 2.302  1.00 34.81 ?  22  GLU B OE2 1 
ATOM   375  N N   . LYS B 2 24 ? 46.887 -21.060 4.022  1.00 14.14 ?  23  LYS B N   1 
ATOM   376  C CA  . LYS B 2 24 ? 47.414 -22.397 4.246  1.00 15.38 ?  23  LYS B CA  1 
ATOM   377  C C   . LYS B 2 24 ? 48.823 -22.520 3.682  1.00 13.81 ?  23  LYS B C   1 
ATOM   378  O O   . LYS B 2 24 ? 49.135 -21.974 2.620  1.00 12.87 ?  23  LYS B O   1 
ATOM   379  C CB  . LYS B 2 24 ? 46.499 -23.432 3.594  1.00 13.76 ?  23  LYS B CB  1 
ATOM   380  C CG  . LYS B 2 24 ? 46.704 -24.857 4.071  1.00 14.81 ?  23  LYS B CG  1 
ATOM   381  C CD  . LYS B 2 24 ? 45.550 -25.731 3.613  1.00 20.74 ?  23  LYS B CD  1 
ATOM   382  C CE  . LYS B 2 24 ? 45.661 -27.135 4.151  1.00 18.33 ?  23  LYS B CE  1 
ATOM   383  N NZ  . LYS B 2 24 ? 44.350 -27.853 4.137  1.00 25.89 ?  23  LYS B NZ  1 
ATOM   384  N N   . GLY B 2 25 ? 49.677 -23.243 4.401  1.00 14.59 ?  24  GLY B N   1 
ATOM   385  C CA  . GLY B 2 25 ? 51.041 -23.453 3.982  1.00 11.42 ?  24  GLY B CA  1 
ATOM   386  C C   . GLY B 2 25 ? 51.136 -24.327 2.749  1.00 15.25 ?  24  GLY B C   1 
ATOM   387  O O   . GLY B 2 25 ? 50.155 -24.941 2.317  1.00 12.34 ?  24  GLY B O   1 
ATOM   388  N N   . PRO B 2 26 ? 52.324 -24.400 2.155  1.00 11.47 ?  25  PRO B N   1 
ATOM   389  C CA  . PRO B 2 26 ? 52.501 -25.227 0.957  1.00 11.70 ?  25  PRO B CA  1 
ATOM   390  C C   . PRO B 2 26 ? 52.457 -26.709 1.296  1.00 18.69 ?  25  PRO B C   1 
ATOM   391  O O   . PRO B 2 26 ? 52.528 -27.126 2.453  1.00 18.70 ?  25  PRO B O   1 
ATOM   392  C CB  . PRO B 2 26 ? 53.879 -24.809 0.436  1.00 17.10 ?  25  PRO B CB  1 
ATOM   393  C CG  . PRO B 2 26 ? 54.600 -24.324 1.647  1.00 15.76 ?  25  PRO B CG  1 
ATOM   394  C CD  . PRO B 2 26 ? 53.559 -23.689 2.528  1.00 12.48 ?  25  PRO B CD  1 
ATOM   395  N N   . ARG B 2 27 ? 52.333 -27.511 0.244  1.00 15.67 ?  26  ARG B N   1 
ATOM   396  C CA  . ARG B 2 27 ? 52.216 -28.953 0.399  1.00 16.85 ?  26  ARG B CA  1 
ATOM   397  C C   . ARG B 2 27 ? 53.556 -29.556 0.812  1.00 16.44 ?  26  ARG B C   1 
ATOM   398  O O   . ARG B 2 27 ? 54.626 -29.046 0.470  1.00 14.48 ?  26  ARG B O   1 
ATOM   399  C CB  . ARG B 2 27 ? 51.723 -29.576 -0.906 1.00 12.26 ?  26  ARG B CB  1 
ATOM   400  C CG  . ARG B 2 27 ? 51.096 -30.949 -0.771 1.00 17.44 ?  26  ARG B CG  1 
ATOM   401  C CD  . ARG B 2 27 ? 51.108 -31.662 -2.111 1.00 20.92 ?  26  ARG B CD  1 
ATOM   402  N NE  . ARG B 2 27 ? 50.861 -33.092 -1.981 1.00 21.60 ?  26  ARG B NE  1 
ATOM   403  C CZ  . ARG B 2 27 ? 50.278 -33.831 -2.915 1.00 28.65 ?  26  ARG B CZ  1 
ATOM   404  N NH1 . ARG B 2 27 ? 49.878 -33.306 -4.062 1.00 23.86 ?  26  ARG B NH1 1 
ATOM   405  N NH2 . ARG B 2 27 ? 50.086 -35.128 -2.690 1.00 28.00 ?  26  ARG B NH2 1 
ATOM   406  N N   . GLY B 2 28 ? 53.486 -30.655 1.561  1.00 14.39 ?  27  GLY B N   1 
ATOM   407  C CA  . GLY B 2 28 ? 54.691 -31.281 2.062  1.00 14.02 ?  27  GLY B CA  1 
ATOM   408  C C   . GLY B 2 28 ? 55.544 -31.882 0.961  1.00 14.31 ?  27  GLY B C   1 
ATOM   409  O O   . GLY B 2 28 ? 55.098 -32.120 -0.162 1.00 12.98 ?  27  GLY B O   1 
ATOM   410  N N   . LEU B 2 29 ? 56.807 -32.125 1.299  1.00 11.65 ?  28  LEU B N   1 
ATOM   411  C CA  . LEU B 2 29 ? 57.740 -32.754 0.373  1.00 19.33 ?  28  LEU B CA  1 
ATOM   412  C C   . LEU B 2 29 ? 57.341 -34.206 0.149  1.00 14.69 ?  28  LEU B C   1 
ATOM   413  O O   . LEU B 2 29 ? 56.742 -34.830 1.024  1.00 13.37 ?  28  LEU B O   1 
ATOM   414  C CB  . LEU B 2 29 ? 59.172 -32.682 0.907  1.00 18.18 ?  28  LEU B CB  1 
ATOM   415  C CG  . LEU B 2 29 ? 59.921 -31.354 0.795  1.00 22.34 ?  28  LEU B CG  1 
ATOM   416  C CD1 . LEU B 2 29 ? 60.697 -31.084 2.075  1.00 23.84 ?  28  LEU B CD1 1 
ATOM   417  C CD2 . LEU B 2 29 ? 60.846 -31.353 -0.410 1.00 20.15 ?  28  LEU B CD2 1 
HETATM 418  N N   . HYP B 2 30 ? 57.673 -34.746 -1.019 1.00 12.25 ?  29  HYP B N   1 
HETATM 419  C CA  . HYP B 2 30 ? 57.394 -36.177 -1.295 1.00 13.05 ?  29  HYP B CA  1 
HETATM 420  C C   . HYP B 2 30 ? 58.172 -37.136 -0.319 1.00 17.94 ?  29  HYP B C   1 
HETATM 421  O O   . HYP B 2 30 ? 59.290 -36.806 0.118  1.00 16.56 ?  29  HYP B O   1 
HETATM 422  C CB  . HYP B 2 30 ? 57.771 -36.465 -2.756 1.00 15.01 ?  29  HYP B CB  1 
HETATM 423  C CG  . HYP B 2 30 ? 57.810 -35.093 -3.438 1.00 19.80 ?  29  HYP B CG  1 
HETATM 424  C CD  . HYP B 2 30 ? 58.255 -34.190 -2.264 1.00 12.83 ?  29  HYP B CD  1 
HETATM 425  O OD1 . HYP B 2 30 ? 56.614 -34.682 -4.016 1.00 21.71 ?  29  HYP B OD1 1 
ATOM   426  N N   . GLY B 2 31 ? 57.571 -38.275 0.007  1.00 18.55 ?  30  GLY B N   1 
ATOM   427  C CA  . GLY B 2 31 ? 58.213 -39.246 0.871  1.00 25.37 ?  30  GLY B CA  1 
ATOM   428  C C   . GLY B 2 31 ? 59.418 -39.878 0.205  1.00 32.80 ?  30  GLY B C   1 
ATOM   429  O O   . GLY B 2 31 ? 59.503 -39.915 -1.023 1.00 32.20 ?  30  GLY B O   1 
ATOM   430  N N   . ALA C 2 2  ? 28.630 37.584  32.954 1.00 23.68 ?  1   ALA C N   1 
ATOM   431  C CA  . ALA C 2 2  ? 27.647 36.568  32.594 1.00 22.26 ?  1   ALA C CA  1 
ATOM   432  C C   . ALA C 2 2  ? 28.230 35.581  31.589 1.00 17.50 ?  1   ALA C C   1 
ATOM   433  O O   . ALA C 2 2  ? 28.463 35.928  30.432 1.00 17.23 ?  1   ALA C O   1 
ATOM   434  C CB  . ALA C 2 2  ? 26.390 37.219  32.032 1.00 13.13 ?  1   ALA C CB  1 
ATOM   435  N N   . VAL C 2 3  ? 28.466 34.350  32.038 1.00 16.41 ?  2   VAL C N   1 
ATOM   436  C CA  . VAL C 2 3  ? 29.077 33.312  31.219 1.00 11.05 ?  2   VAL C CA  1 
ATOM   437  C C   . VAL C 2 3  ? 28.197 32.071  31.252 1.00 11.89 ?  2   VAL C C   1 
ATOM   438  O O   . VAL C 2 3  ? 27.586 31.756  32.280 1.00 13.45 ?  2   VAL C O   1 
ATOM   439  C CB  . VAL C 2 3  ? 30.506 32.971  31.698 1.00 15.62 ?  2   VAL C CB  1 
ATOM   440  C CG1 . VAL C 2 3  ? 31.243 32.172  30.635 1.00 15.27 ?  2   VAL C CG1 1 
ATOM   441  C CG2 . VAL C 2 3  ? 31.272 34.239  32.043 1.00 21.96 ?  2   VAL C CG2 1 
ATOM   442  N N   . GLY C 2 4  ? 28.141 31.361  30.126 1.00 12.67 ?  3   GLY C N   1 
ATOM   443  C CA  . GLY C 2 4  ? 27.363 30.150  30.027 1.00 9.75  ?  3   GLY C CA  1 
ATOM   444  C C   . GLY C 2 4  ? 28.133 28.935  30.486 1.00 9.33  ?  3   GLY C C   1 
ATOM   445  O O   . GLY C 2 4  ? 29.342 28.981  30.774 1.00 11.34 ?  3   GLY C O   1 
ATOM   446  N N   . PRO C 2 5  ? 27.431 27.809  30.564 1.00 9.37  ?  4   PRO C N   1 
ATOM   447  C CA  . PRO C 2 5  ? 28.049 26.585  31.084 1.00 10.30 ?  4   PRO C CA  1 
ATOM   448  C C   . PRO C 2 5  ? 28.909 25.886  30.039 1.00 10.57 ?  4   PRO C C   1 
ATOM   449  O O   . PRO C 2 5  ? 28.798 26.120  28.834 1.00 9.73  ?  4   PRO C O   1 
ATOM   450  C CB  . PRO C 2 5  ? 26.849 25.712  31.472 1.00 13.44 ?  4   PRO C CB  1 
ATOM   451  C CG  . PRO C 2 5  ? 25.714 26.225  30.654 1.00 11.02 ?  4   PRO C CG  1 
ATOM   452  C CD  . PRO C 2 5  ? 25.992 27.653  30.290 1.00 8.86  ?  4   PRO C CD  1 
ATOM   453  N N   . ARG C 2 6  ? 29.779 25.011  30.538 1.00 11.71 ?  5   ARG C N   1 
ATOM   454  C CA  . ARG C 2 6  ? 30.647 24.222  29.674 1.00 11.52 ?  5   ARG C CA  1 
ATOM   455  C C   . ARG C 2 6  ? 29.813 23.344  28.746 1.00 8.39  ?  5   ARG C C   1 
ATOM   456  O O   . ARG C 2 6  ? 28.707 22.915  29.085 1.00 8.32  ?  5   ARG C O   1 
ATOM   457  C CB  . ARG C 2 6  ? 31.593 23.365  30.522 1.00 9.18  ?  5   ARG C CB  1 
ATOM   458  C CG  . ARG C 2 6  ? 32.542 22.470  29.735 1.00 18.51 ?  5   ARG C CG  1 
ATOM   459  C CD  . ARG C 2 6  ? 33.894 22.341  30.425 1.00 16.62 ?  5   ARG C CD  1 
ATOM   460  N NE  . ARG C 2 6  ? 34.935 21.892  29.508 1.00 22.15 ?  5   ARG C NE  1 
ATOM   461  C CZ  . ARG C 2 6  ? 35.879 21.012  29.815 1.00 19.29 ?  5   ARG C CZ  1 
ATOM   462  N NH1 . ARG C 2 6  ? 35.952 20.468  31.018 1.00 16.05 ?  5   ARG C NH1 1 
ATOM   463  N NH2 . ARG C 2 6  ? 36.776 20.673  28.891 1.00 16.21 ?  5   ARG C NH2 1 
ATOM   464  N N   . GLY C 2 7  ? 30.349 23.091  27.556 1.00 8.21  ?  6   GLY C N   1 
ATOM   465  C CA  . GLY C 2 7  ? 29.648 22.325  26.551 1.00 7.26  ?  6   GLY C CA  1 
ATOM   466  C C   . GLY C 2 7  ? 29.705 20.839  26.818 1.00 7.33  ?  6   GLY C C   1 
ATOM   467  O O   . GLY C 2 7  ? 30.390 20.350  27.731 1.00 10.92 ?  6   GLY C O   1 
ATOM   468  N N   . PRO C 2 8  ? 28.961 20.086  26.014 1.00 10.14 ?  7   PRO C N   1 
ATOM   469  C CA  . PRO C 2 8  ? 28.925 18.631  26.190 1.00 7.86  ?  7   PRO C CA  1 
ATOM   470  C C   . PRO C 2 8  ? 30.214 17.974  25.716 1.00 10.94 ?  7   PRO C C   1 
ATOM   471  O O   . PRO C 2 8  ? 30.973 18.525  24.916 1.00 8.70  ?  7   PRO C O   1 
ATOM   472  C CB  . PRO C 2 8  ? 27.733 18.192  25.330 1.00 8.38  ?  7   PRO C CB  1 
ATOM   473  C CG  . PRO C 2 8  ? 27.528 19.304  24.356 1.00 9.10  ?  7   PRO C CG  1 
ATOM   474  C CD  . PRO C 2 8  ? 27.955 20.560  25.048 1.00 11.16 ?  7   PRO C CD  1 
ATOM   475  N N   . SER C 2 9  ? 30.458 16.773  26.237 1.00 11.33 ?  8   SER C N   1 
ATOM   476  C CA  . SER C 2 9  ? 31.601 15.991  25.789 1.00 7.02  ?  8   SER C CA  1 
ATOM   477  C C   . SER C 2 9  ? 31.431 15.606  24.324 1.00 12.10 ?  8   SER C C   1 
ATOM   478  O O   . SER C 2 9  ? 30.314 15.441  23.825 1.00 11.92 ?  8   SER C O   1 
ATOM   479  C CB  . SER C 2 9  ? 31.772 14.733  26.646 1.00 9.25  ?  8   SER C CB  1 
ATOM   480  O OG  . SER C 2 9  ? 31.273 14.925  27.957 1.00 18.35 ?  8   SER C OG  1 
ATOM   481  N N   . GLY C 2 10 ? 32.558 15.469  23.632 1.00 6.51  ?  9   GLY C N   1 
ATOM   482  C CA  . GLY C 2 10 ? 32.552 15.158  22.224 1.00 7.50  ?  9   GLY C CA  1 
ATOM   483  C C   . GLY C 2 10 ? 32.150 13.727  21.941 1.00 10.12 ?  9   GLY C C   1 
ATOM   484  O O   . GLY C 2 10 ? 31.993 12.905  22.850 1.00 8.75  ?  9   GLY C O   1 
ATOM   485  N N   . PRO C 2 11 ? 31.964 13.403  20.665 1.00 6.42  ?  10  PRO C N   1 
ATOM   486  C CA  . PRO C 2 11 ? 31.623 12.027  20.291 1.00 6.87  ?  10  PRO C CA  1 
ATOM   487  C C   . PRO C 2 11 ? 32.829 11.110  20.432 1.00 11.82 ?  10  PRO C C   1 
ATOM   488  O O   . PRO C 2 11 ? 33.960 11.540  20.661 1.00 6.33  ?  10  PRO C O   1 
ATOM   489  C CB  . PRO C 2 11 ? 31.181 12.154  18.830 1.00 8.46  ?  10  PRO C CB  1 
ATOM   490  C CG  . PRO C 2 11 ? 31.895 13.362  18.330 1.00 16.48 ?  10  PRO C CG  1 
ATOM   491  C CD  . PRO C 2 11 ? 32.001 14.305  19.499 1.00 8.63  ?  10  PRO C CD  1 
ATOM   492  N N   . GLN C 2 12 ? 32.567 9.817   20.288 1.00 7.53  ?  11  GLN C N   1 
ATOM   493  C CA  . GLN C 2 12 ? 33.615 8.822   20.435 1.00 6.93  ?  11  GLN C CA  1 
ATOM   494  C C   . GLN C 2 12 ? 34.487 8.798   19.186 1.00 12.77 ?  11  GLN C C   1 
ATOM   495  O O   . GLN C 2 12 ? 33.996 8.968   18.066 1.00 10.22 ?  11  GLN C O   1 
ATOM   496  C CB  . GLN C 2 12 ? 33.003 7.446   20.711 1.00 13.52 ?  11  GLN C CB  1 
ATOM   497  C CG  . GLN C 2 12 ? 33.971 6.277   20.660 1.00 10.13 ?  11  GLN C CG  1 
ATOM   498  C CD  . GLN C 2 12 ? 33.280 4.946   20.891 1.00 11.31 ?  11  GLN C CD  1 
ATOM   499  O OE1 . GLN C 2 12 ? 32.117 4.767   20.532 1.00 10.33 ?  11  GLN C OE1 1 
ATOM   500  N NE2 . GLN C 2 12 ? 33.989 4.010   21.513 1.00 12.59 ?  11  GLN C NE2 1 
ATOM   501  N N   . GLY C 2 13 ? 35.788 8.615   19.387 1.00 13.20 ?  12  GLY C N   1 
ATOM   502  C CA  . GLY C 2 13 ? 36.728 8.625   18.282 1.00 6.60  ?  12  GLY C CA  1 
ATOM   503  C C   . GLY C 2 13 ? 36.487 7.484   17.315 1.00 7.34  ?  12  GLY C C   1 
ATOM   504  O O   . GLY C 2 13 ? 35.658 6.599   17.524 1.00 6.86  ?  12  GLY C O   1 
ATOM   505  N N   . ILE C 2 14 ? 37.243 7.511   16.215 1.00 9.99  ?  13  ILE C N   1 
ATOM   506  C CA  . ILE C 2 14 ? 37.043 6.490   15.198 1.00 10.73 ?  13  ILE C CA  1 
ATOM   507  C C   . ILE C 2 14 ? 37.590 5.155   15.688 1.00 9.31  ?  13  ILE C C   1 
ATOM   508  O O   . ILE C 2 14 ? 38.399 5.073   16.621 1.00 10.64 ?  13  ILE C O   1 
ATOM   509  C CB  . ILE C 2 14 ? 37.678 6.879   13.854 1.00 9.77  ?  13  ILE C CB  1 
ATOM   510  C CG1 . ILE C 2 14 ? 39.160 7.202   14.025 1.00 15.46 ?  13  ILE C CG1 1 
ATOM   511  C CG2 . ILE C 2 14 ? 36.948 8.065   13.241 1.00 19.32 ?  13  ILE C CG2 1 
ATOM   512  C CD1 . ILE C 2 14 ? 39.809 7.661   12.746 1.00 14.40 ?  13  ILE C CD1 1 
ATOM   513  N N   . ARG C 2 15 ? 37.135 4.093   15.039 1.00 8.27  ?  14  ARG C N   1 
ATOM   514  C CA  . ARG C 2 15 ? 37.546 2.745   15.391 1.00 11.28 ?  14  ARG C CA  1 
ATOM   515  C C   . ARG C 2 15 ? 38.989 2.506   14.955 1.00 8.86  ?  14  ARG C C   1 
ATOM   516  O O   . ARG C 2 15 ? 39.465 3.075   13.969 1.00 8.86  ?  14  ARG C O   1 
ATOM   517  C CB  . ARG C 2 15 ? 36.584 1.748   14.743 1.00 15.17 ?  14  ARG C CB  1 
ATOM   518  C CG  . ARG C 2 15 ? 37.075 0.337   14.521 1.00 17.65 ?  14  ARG C CG  1 
ATOM   519  C CD  . ARG C 2 15 ? 36.001 -0.417  13.756 1.00 18.11 ?  14  ARG C CD  1 
ATOM   520  N NE  . ARG C 2 15 ? 34.671 0.027   14.157 1.00 20.01 ?  14  ARG C NE  1 
ATOM   521  C CZ  . ARG C 2 15 ? 33.591 -0.742  14.189 1.00 17.20 ?  14  ARG C CZ  1 
ATOM   522  N NH1 . ARG C 2 15 ? 33.638 -2.017  13.836 1.00 16.75 ?  14  ARG C NH1 1 
ATOM   523  N NH2 . ARG C 2 15 ? 32.432 -0.219  14.582 1.00 16.83 ?  14  ARG C NH2 1 
ATOM   524  N N   . GLY C 2 16 ? 39.699 1.681   15.722 1.00 7.56  ?  15  GLY C N   1 
ATOM   525  C CA  . GLY C 2 16 ? 41.087 1.405   15.417 1.00 7.87  ?  15  GLY C CA  1 
ATOM   526  C C   . GLY C 2 16 ? 41.253 0.606   14.139 1.00 13.84 ?  15  GLY C C   1 
ATOM   527  O O   . GLY C 2 16 ? 40.321 -0.018  13.630 1.00 12.36 ?  15  GLY C O   1 
ATOM   528  N N   . ASP C 2 17 ? 42.472 0.633   13.606 1.00 13.18 ?  16  ASP C N   1 
ATOM   529  C CA  . ASP C 2 17 ? 42.759 -0.096  12.380 1.00 10.29 ?  16  ASP C CA  1 
ATOM   530  C C   . ASP C 2 17 ? 42.671 -1.600  12.609 1.00 11.68 ?  16  ASP C C   1 
ATOM   531  O O   . ASP C 2 17 ? 42.961 -2.107  13.696 1.00 8.66  ?  16  ASP C O   1 
ATOM   532  C CB  . ASP C 2 17 ? 44.148 0.257   11.843 1.00 13.60 ?  16  ASP C CB  1 
ATOM   533  C CG  . ASP C 2 17 ? 44.404 1.751   11.807 1.00 12.89 ?  16  ASP C CG  1 
ATOM   534  O OD1 . ASP C 2 17 ? 43.495 2.505   11.403 1.00 16.74 ?  16  ASP C OD1 1 
ATOM   535  O OD2 . ASP C 2 17 ? 45.523 2.169   12.171 1.00 19.05 ?  16  ASP C OD2 1 
ATOM   536  N N   . LYS C 2 18 ? 42.257 -2.314  11.566 1.00 9.24  ?  17  LYS C N   1 
ATOM   537  C CA  . LYS C 2 18 ? 42.289 -3.767  11.603 1.00 11.09 ?  17  LYS C CA  1 
ATOM   538  C C   . LYS C 2 18 ? 43.733 -4.247  11.569 1.00 10.30 ?  17  LYS C C   1 
ATOM   539  O O   . LYS C 2 18 ? 44.586 -3.647  10.910 1.00 10.78 ?  17  LYS C O   1 
ATOM   540  C CB  . LYS C 2 18 ? 41.509 -4.346  10.423 1.00 9.08  ?  17  LYS C CB  1 
ATOM   541  C CG  . LYS C 2 18 ? 41.394 -5.863  10.424 1.00 14.50 ?  17  LYS C CG  1 
ATOM   542  C CD  . LYS C 2 18 ? 41.016 -6.387  9.049  1.00 19.17 ?  17  LYS C CD  1 
ATOM   543  C CE  . LYS C 2 18 ? 39.895 -7.410  9.137  1.00 12.77 ?  17  LYS C CE  1 
ATOM   544  N NZ  . LYS C 2 18 ? 40.246 -8.554  10.025 1.00 22.77 ?  17  LYS C NZ  1 
ATOM   545  N N   . GLY C 2 19 ? 44.010 -5.321  12.302 1.00 9.92  ?  18  GLY C N   1 
ATOM   546  C CA  . GLY C 2 19 ? 45.337 -5.895  12.281 1.00 9.28  ?  18  GLY C CA  1 
ATOM   547  C C   . GLY C 2 19 ? 45.704 -6.438  10.914 1.00 11.56 ?  18  GLY C C   1 
ATOM   548  O O   . GLY C 2 19 ? 44.851 -6.749  10.082 1.00 10.46 ?  18  GLY C O   1 
ATOM   549  N N   . GLU C 2 20 ? 47.007 -6.545  10.673 1.00 9.46  ?  19  GLU C N   1 
ATOM   550  C CA  . GLU C 2 20 ? 47.476 -7.096  9.408  1.00 10.56 ?  19  GLU C CA  1 
ATOM   551  C C   . GLU C 2 20 ? 47.297 -8.608  9.419  1.00 12.64 ?  19  GLU C C   1 
ATOM   552  O O   . GLU C 2 20 ? 47.211 -9.222  10.483 1.00 9.07  ?  19  GLU C O   1 
ATOM   553  C CB  . GLU C 2 20 ? 48.942 -6.732  9.139  1.00 19.82 ?  19  GLU C CB  1 
ATOM   554  C CG  . GLU C 2 20 ? 49.963 -7.473  9.980  1.00 21.06 ?  19  GLU C CG  1 
ATOM   555  C CD  . GLU C 2 20 ? 50.315 -6.735  11.250 1.00 24.54 ?  19  GLU C CD  1 
ATOM   556  O OE1 . GLU C 2 20 ? 49.427 -6.568  12.109 1.00 22.50 ?  19  GLU C OE1 1 
ATOM   557  O OE2 . GLU C 2 20 ? 51.483 -6.315  11.386 1.00 22.42 ?  19  GLU C OE2 1 
HETATM 558  N N   . HYP C 2 21 ? 47.226 -9.202  8.233  1.00 9.62  ?  20  HYP C N   1 
HETATM 559  C CA  . HYP C 2 21 ? 47.082 -10.672 8.121  1.00 13.65 ?  20  HYP C CA  1 
HETATM 560  C C   . HYP C 2 21 ? 48.268 -11.456 8.790  1.00 8.54  ?  20  HYP C C   1 
HETATM 561  O O   . HYP C 2 21 ? 49.398 -10.939 8.855  1.00 11.40 ?  20  HYP C O   1 
HETATM 562  C CB  . HYP C 2 21 ? 46.980 -11.026 6.630  1.00 12.68 ?  20  HYP C CB  1 
HETATM 563  C CG  . HYP C 2 21 ? 46.495 -9.746  5.940  1.00 19.72 ?  20  HYP C CG  1 
HETATM 564  C CD  . HYP C 2 21 ? 47.108 -8.655  6.853  1.00 16.31 ?  20  HYP C CD  1 
HETATM 565  O OD1 . HYP C 2 21 ? 45.117 -9.632  5.794  1.00 21.69 ?  20  HYP C OD1 1 
ATOM   566  N N   . GLY C 2 22 ? 47.989 -12.661 9.270  1.00 8.98  ?  21  GLY C N   1 
ATOM   567  C CA  . GLY C 2 22 ? 49.030 -13.507 9.816  1.00 7.84  ?  21  GLY C CA  1 
ATOM   568  C C   . GLY C 2 22 ? 49.940 -14.004 8.714  1.00 11.53 ?  21  GLY C C   1 
ATOM   569  O O   . GLY C 2 22 ? 49.621 -13.874 7.532  1.00 10.12 ?  21  GLY C O   1 
ATOM   570  N N   . GLU C 2 23 ? 51.082 -14.566 9.096  1.00 10.51 ?  22  GLU C N   1 
ATOM   571  C CA  . GLU C 2 23 ? 51.988 -15.135 8.114  1.00 11.53 ?  22  GLU C CA  1 
ATOM   572  C C   . GLU C 2 23 ? 51.402 -16.416 7.529  1.00 15.03 ?  22  GLU C C   1 
ATOM   573  O O   . GLU C 2 23 ? 50.505 -17.041 8.102  1.00 13.46 ?  22  GLU C O   1 
ATOM   574  C CB  . GLU C 2 23 ? 53.351 -15.427 8.741  1.00 18.44 ?  22  GLU C CB  1 
ATOM   575  C CG  . GLU C 2 23 ? 54.051 -14.209 9.319  1.00 11.97 ?  22  GLU C CG  1 
ATOM   576  C CD  . GLU C 2 23 ? 54.483 -13.222 8.253  1.00 16.07 ?  22  GLU C CD  1 
ATOM   577  O OE1 . GLU C 2 23 ? 55.128 -13.646 7.270  1.00 18.52 ?  22  GLU C OE1 1 
ATOM   578  O OE2 . GLU C 2 23 ? 54.179 -12.019 8.399  1.00 25.81 ?  22  GLU C OE2 1 
ATOM   579  N N   . LYS C 2 24 ? 51.918 -16.800 6.364  1.00 16.01 ?  23  LYS C N   1 
ATOM   580  C CA  . LYS C 2 24 ? 51.545 -18.082 5.787  1.00 15.50 ?  23  LYS C CA  1 
ATOM   581  C C   . LYS C 2 24 ? 51.978 -19.213 6.709  1.00 19.44 ?  23  LYS C C   1 
ATOM   582  O O   . LYS C 2 24 ? 53.031 -19.146 7.349  1.00 16.24 ?  23  LYS C O   1 
ATOM   583  C CB  . LYS C 2 24 ? 52.173 -18.260 4.403  1.00 20.01 ?  23  LYS C CB  1 
ATOM   584  C CG  . LYS C 2 24 ? 51.634 -19.465 3.645  1.00 21.79 ?  23  LYS C CG  1 
ATOM   585  C CD  . LYS C 2 24 ? 52.317 -19.647 2.302  1.00 24.36 ?  23  LYS C CD  1 
ATOM   586  C CE  . LYS C 2 24 ? 51.329 -19.476 1.162  1.00 27.31 ?  23  LYS C CE  1 
ATOM   587  N NZ  . LYS C 2 24 ? 50.642 -20.760 0.844  1.00 22.06 ?  23  LYS C NZ  1 
ATOM   588  N N   . GLY C 2 25 ? 51.154 -20.252 6.778  1.00 15.88 ?  24  GLY C N   1 
ATOM   589  C CA  . GLY C 2 25 ? 51.416 -21.372 7.647  1.00 13.03 ?  24  GLY C CA  1 
ATOM   590  C C   . GLY C 2 25 ? 52.682 -22.113 7.275  1.00 19.49 ?  24  GLY C C   1 
ATOM   591  O O   . GLY C 2 25 ? 53.310 -21.850 6.247  1.00 23.07 ?  24  GLY C O   1 
ATOM   592  N N   . PRO C 2 26 ? 53.071 -23.071 8.106  1.00 19.16 ?  25  PRO C N   1 
ATOM   593  C CA  . PRO C 2 26 ? 54.264 -23.861 7.810  1.00 17.56 ?  25  PRO C CA  1 
ATOM   594  C C   . PRO C 2 26 ? 53.999 -24.878 6.713  1.00 22.61 ?  25  PRO C C   1 
ATOM   595  O O   . PRO C 2 26 ? 52.858 -25.210 6.388  1.00 15.00 ?  25  PRO C O   1 
ATOM   596  C CB  . PRO C 2 26 ? 54.570 -24.546 9.146  1.00 18.45 ?  25  PRO C CB  1 
ATOM   597  C CG  . PRO C 2 26 ? 53.251 -24.536 9.915  1.00 16.76 ?  25  PRO C CG  1 
ATOM   598  C CD  . PRO C 2 26 ? 52.243 -23.728 9.131  1.00 18.16 ?  25  PRO C CD  1 
ATOM   599  N N   . ARG C 2 27 ? 55.091 -25.362 6.133  1.00 22.10 ?  26  ARG C N   1 
ATOM   600  C CA  . ARG C 2 27 ? 54.981 -26.342 5.065  1.00 18.33 ?  26  ARG C CA  1 
ATOM   601  C C   . ARG C 2 27 ? 54.468 -27.665 5.624  1.00 18.93 ?  26  ARG C C   1 
ATOM   602  O O   . ARG C 2 27 ? 54.749 -28.032 6.769  1.00 18.39 ?  26  ARG C O   1 
ATOM   603  C CB  . ARG C 2 27 ? 56.335 -26.524 4.379  1.00 18.46 ?  26  ARG C CB  1 
ATOM   604  C CG  . ARG C 2 27 ? 56.458 -27.750 3.493  1.00 29.68 ?  26  ARG C CG  1 
ATOM   605  C CD  . ARG C 2 27 ? 57.814 -27.767 2.818  1.00 27.24 ?  26  ARG C CD  1 
ATOM   606  N NE  . ARG C 2 27 ? 57.825 -26.858 1.678  1.00 28.51 ?  26  ARG C NE  1 
ATOM   607  C CZ  . ARG C 2 27 ? 57.861 -27.236 0.408  1.00 31.77 ?  26  ARG C CZ  1 
ATOM   608  N NH1 . ARG C 2 27 ? 57.907 -28.514 0.068  1.00 34.77 ?  26  ARG C NH1 1 
ATOM   609  N NH2 . ARG C 2 27 ? 57.850 -26.309 -0.545 1.00 33.53 ?  26  ARG C NH2 1 
ATOM   610  N N   . GLY C 2 28 ? 53.685 -28.368 4.810  1.00 15.49 ?  27  GLY C N   1 
ATOM   611  C CA  . GLY C 2 28 ? 53.167 -29.656 5.221  1.00 11.85 ?  27  GLY C CA  1 
ATOM   612  C C   . GLY C 2 28 ? 54.270 -30.652 5.518  1.00 12.18 ?  27  GLY C C   1 
ATOM   613  O O   . GLY C 2 28 ? 55.416 -30.513 5.089  1.00 15.49 ?  27  GLY C O   1 
ATOM   614  N N   . LEU C 2 29 ? 53.906 -31.677 6.281  1.00 14.67 ?  28  LEU C N   1 
ATOM   615  C CA  . LEU C 2 29 ? 54.854 -32.711 6.671  1.00 17.20 ?  28  LEU C CA  1 
ATOM   616  C C   . LEU C 2 29 ? 55.252 -33.550 5.463  1.00 13.65 ?  28  LEU C C   1 
ATOM   617  O O   . LEU C 2 29 ? 54.518 -33.612 4.476  1.00 20.83 ?  28  LEU C O   1 
ATOM   618  C CB  . LEU C 2 29 ? 54.254 -33.601 7.761  1.00 18.32 ?  28  LEU C CB  1 
ATOM   619  C CG  . LEU C 2 29 ? 54.172 -32.991 9.162  1.00 18.84 ?  28  LEU C CG  1 
ATOM   620  C CD1 . LEU C 2 29 ? 53.405 -33.904 10.107 1.00 23.53 ?  28  LEU C CD1 1 
ATOM   621  C CD2 . LEU C 2 29 ? 55.561 -32.706 9.699  1.00 23.38 ?  28  LEU C CD2 1 
HETATM 622  N N   . HYP C 2 30 ? 56.416 -34.190 5.537  1.00 15.45 ?  29  HYP C N   1 
HETATM 623  C CA  . HYP C 2 30 ? 56.853 -35.106 4.452  1.00 14.10 ?  29  HYP C CA  1 
HETATM 624  C C   . HYP C 2 30 ? 55.845 -36.289 4.207  1.00 18.23 ?  29  HYP C C   1 
HETATM 625  O O   . HYP C 2 30 ? 55.069 -36.644 5.112  1.00 14.67 ?  29  HYP C O   1 
HETATM 626  C CB  . HYP C 2 30 ? 58.240 -35.649 4.820  1.00 14.83 ?  29  HYP C CB  1 
HETATM 627  C CG  . HYP C 2 30 ? 58.853 -34.573 5.718  1.00 18.58 ?  29  HYP C CG  1 
HETATM 628  C CD  . HYP C 2 30 ? 57.586 -34.045 6.450  1.00 18.47 ?  29  HYP C CD  1 
HETATM 629  O OD1 . HYP C 2 30 ? 59.571 -33.585 5.049  1.00 23.94 ?  29  HYP C OD1 1 
ATOM   630  N N   . GLY C 2 31 ? 55.876 -36.858 3.009  1.00 17.90 ?  30  GLY C N   1 
ATOM   631  C CA  . GLY C 2 31 ? 55.036 -37.995 2.692  1.00 19.43 ?  30  GLY C CA  1 
ATOM   632  C C   . GLY C 2 31 ? 55.585 -39.281 3.274  1.00 16.23 ?  30  GLY C C   1 
ATOM   633  O O   . GLY C 2 31 ? 54.854 -40.253 3.454  1.00 24.56 ?  30  GLY C O   1 
HETATM 634  C C   . ACE D 1 1  ? 67.748 -31.407 2.712  1.00 23.71 ?  0   ACE D C   1 
HETATM 635  O O   . ACE D 1 1  ? 67.970 -30.449 1.971  1.00 25.91 ?  0   ACE D O   1 
HETATM 636  C CH3 . ACE D 1 1  ? 68.775 -32.473 2.962  1.00 25.82 ?  0   ACE D CH3 1 
ATOM   637  N N   . PRO D 1 2  ? 66.586 -31.566 3.338  1.00 23.72 ?  1   PRO D N   1 
ATOM   638  C CA  . PRO D 1 2  ? 65.502 -30.590 3.177  1.00 22.81 ?  1   PRO D CA  1 
ATOM   639  C C   . PRO D 1 2  ? 65.869 -29.224 3.750  1.00 27.10 ?  1   PRO D C   1 
ATOM   640  O O   . PRO D 1 2  ? 66.666 -29.145 4.684  1.00 22.19 ?  1   PRO D O   1 
ATOM   641  C CB  . PRO D 1 2  ? 64.337 -31.226 3.958  1.00 19.03 ?  1   PRO D CB  1 
ATOM   642  C CG  . PRO D 1 2  ? 64.962 -32.378 4.729  1.00 19.16 ?  1   PRO D CG  1 
ATOM   643  C CD  . PRO D 1 2  ? 66.058 -32.842 3.841  1.00 25.05 ?  1   PRO D CD  1 
ATOM   644  N N   . VAL D 1 3  ? 65.294 -28.164 3.181  1.00 22.74 ?  2   VAL D N   1 
ATOM   645  C CA  . VAL D 1 3  ? 65.592 -26.813 3.636  1.00 19.09 ?  2   VAL D CA  1 
ATOM   646  C C   . VAL D 1 3  ? 65.044 -26.619 5.042  1.00 18.48 ?  2   VAL D C   1 
ATOM   647  O O   . VAL D 1 3  ? 63.944 -27.085 5.372  1.00 26.17 ?  2   VAL D O   1 
ATOM   648  C CB  . VAL D 1 3  ? 65.011 -25.779 2.655  1.00 18.20 ?  2   VAL D CB  1 
ATOM   649  C CG1 . VAL D 1 3  ? 65.235 -24.358 3.162  1.00 20.07 ?  2   VAL D CG1 1 
ATOM   650  C CG2 . VAL D 1 3  ? 65.622 -25.959 1.274  1.00 18.16 ?  2   VAL D CG2 1 
ATOM   651  N N   . GLY D 1 4  ? 65.823 -25.947 5.887  1.00 18.04 ?  3   GLY D N   1 
ATOM   652  C CA  . GLY D 1 4  ? 65.384 -25.690 7.243  1.00 21.22 ?  3   GLY D CA  1 
ATOM   653  C C   . GLY D 1 4  ? 64.123 -24.850 7.290  1.00 21.88 ?  3   GLY D C   1 
ATOM   654  O O   . GLY D 1 4  ? 63.748 -24.172 6.331  1.00 18.40 ?  3   GLY D O   1 
ATOM   655  N N   . ALA D 1 5  ? 63.453 -24.911 8.437  1.00 22.07 ?  4   ALA D N   1 
ATOM   656  C CA  . ALA D 1 5  ? 62.239 -24.138 8.635  1.00 20.52 ?  4   ALA D CA  1 
ATOM   657  C C   . ALA D 1 5  ? 62.555 -22.646 8.656  1.00 18.75 ?  4   ALA D C   1 
ATOM   658  O O   . ALA D 1 5  ? 63.682 -22.223 8.929  1.00 22.60 ?  4   ALA D O   1 
ATOM   659  C CB  . ALA D 1 5  ? 61.547 -24.549 9.934  1.00 24.53 ?  4   ALA D CB  1 
ATOM   660  N N   . ARG D 1 6  ? 61.538 -21.843 8.351  1.00 21.75 ?  5   ARG D N   1 
ATOM   661  C CA  . ARG D 1 6  ? 61.704 -20.398 8.385  1.00 19.40 ?  5   ARG D CA  1 
ATOM   662  C C   . ARG D 1 6  ? 61.996 -19.936 9.806  1.00 19.33 ?  5   ARG D C   1 
ATOM   663  O O   . ARG D 1 6  ? 61.465 -20.482 10.777 1.00 24.16 ?  5   ARG D O   1 
ATOM   664  C CB  . ARG D 1 6  ? 60.453 -19.701 7.850  1.00 19.14 ?  5   ARG D CB  1 
ATOM   665  C CG  . ARG D 1 6  ? 60.657 -18.220 7.586  1.00 18.96 ?  5   ARG D CG  1 
ATOM   666  C CD  . ARG D 1 6  ? 59.340 -17.472 7.486  1.00 23.35 ?  5   ARG D CD  1 
ATOM   667  N NE  . ARG D 1 6  ? 59.539 -16.095 7.050  1.00 19.37 ?  5   ARG D NE  1 
ATOM   668  C CZ  . ARG D 1 6  ? 58.561 -15.254 6.747  1.00 25.19 ?  5   ARG D CZ  1 
ATOM   669  N NH1 . ARG D 1 6  ? 57.290 -15.614 6.825  1.00 28.52 ?  5   ARG D NH1 1 
ATOM   670  N NH2 . ARG D 1 6  ? 58.864 -14.018 6.360  1.00 24.19 ?  5   ARG D NH2 1 
ATOM   671  N N   . GLY D 1 7  ? 62.849 -18.922 9.921  1.00 13.25 ?  6   GLY D N   1 
ATOM   672  C CA  . GLY D 1 7  ? 63.258 -18.413 11.207 1.00 12.62 ?  6   GLY D CA  1 
ATOM   673  C C   . GLY D 1 7  ? 62.114 -17.806 11.992 1.00 13.21 ?  6   GLY D C   1 
ATOM   674  O O   . GLY D 1 7  ? 61.013 -17.592 11.475 1.00 19.96 ?  6   GLY D O   1 
ATOM   675  N N   . PRO D 1 8  ? 62.355 -17.531 13.269 1.00 9.08  ?  7   PRO D N   1 
ATOM   676  C CA  . PRO D 1 8  ? 61.328 -16.882 14.085 1.00 10.40 ?  7   PRO D CA  1 
ATOM   677  C C   . PRO D 1 8  ? 61.181 -15.418 13.707 1.00 13.42 ?  7   PRO D C   1 
ATOM   678  O O   . PRO D 1 8  ? 62.072 -14.800 13.121 1.00 9.29  ?  7   PRO D O   1 
ATOM   679  C CB  . PRO D 1 8  ? 61.862 -17.031 15.515 1.00 11.80 ?  7   PRO D CB  1 
ATOM   680  C CG  . PRO D 1 8  ? 63.340 -17.140 15.341 1.00 13.40 ?  7   PRO D CG  1 
ATOM   681  C CD  . PRO D 1 8  ? 63.545 -17.891 14.059 1.00 12.30 ?  7   PRO D CD  1 
ATOM   682  N N   . ALA D 1 9  ? 60.022 -14.867 14.048 1.00 12.53 ?  8   ALA D N   1 
ATOM   683  C CA  . ALA D 1 9  ? 59.806 -13.444 13.857 1.00 12.21 ?  8   ALA D CA  1 
ATOM   684  C C   . ALA D 1 9  ? 60.745 -12.647 14.754 1.00 11.67 ?  8   ALA D C   1 
ATOM   685  O O   . ALA D 1 9  ? 61.129 -13.089 15.840 1.00 6.80  ?  8   ALA D O   1 
ATOM   686  C CB  . ALA D 1 9  ? 58.351 -13.077 14.155 1.00 15.95 ?  8   ALA D CB  1 
ATOM   687  N N   . GLY D 1 10 ? 61.130 -11.465 14.284 1.00 6.76  ?  9   GLY D N   1 
ATOM   688  C CA  . GLY D 1 10 ? 61.903 -10.555 15.092 1.00 6.39  ?  9   GLY D CA  1 
ATOM   689  C C   . GLY D 1 10 ? 61.084 -10.057 16.265 1.00 9.13  ?  9   GLY D C   1 
ATOM   690  O O   . GLY D 1 10 ? 59.876 -10.297 16.351 1.00 6.04  ?  9   GLY D O   1 
ATOM   691  N N   . PRO D 1 11 ? 61.726 -9.371  17.202 1.00 6.61  ?  10  PRO D N   1 
ATOM   692  C CA  . PRO D 1 11 ? 60.995 -8.804  18.340 1.00 6.83  ?  10  PRO D CA  1 
ATOM   693  C C   . PRO D 1 11 ? 60.193 -7.575  17.926 1.00 5.18  ?  10  PRO D C   1 
ATOM   694  O O   . PRO D 1 11 ? 60.376 -7.006  16.850 1.00 7.48  ?  10  PRO D O   1 
ATOM   695  C CB  . PRO D 1 11 ? 62.103 -8.429  19.332 1.00 5.35  ?  10  PRO D CB  1 
ATOM   696  C CG  . PRO D 1 11 ? 63.339 -8.309  18.505 1.00 5.61  ?  10  PRO D CG  1 
ATOM   697  C CD  . PRO D 1 11 ? 63.186 -9.262  17.359 1.00 9.79  ?  10  PRO D CD  1 
ATOM   698  N N   . GLN D 1 12 ? 59.284 -7.176  18.814 1.00 5.92  ?  11  GLN D N   1 
ATOM   699  C CA  . GLN D 1 12 ? 58.480 -5.987  18.573 1.00 4.96  ?  11  GLN D CA  1 
ATOM   700  C C   . GLN D 1 12 ? 59.365 -4.748  18.511 1.00 10.82 ?  11  GLN D C   1 
ATOM   701  O O   . GLN D 1 12 ? 60.347 -4.626  19.247 1.00 9.63  ?  11  GLN D O   1 
ATOM   702  C CB  . GLN D 1 12 ? 57.428 -5.812  19.671 1.00 6.31  ?  11  GLN D CB  1 
ATOM   703  C CG  . GLN D 1 12 ? 56.628 -4.518  19.548 1.00 7.36  ?  11  GLN D CG  1 
ATOM   704  C CD  . GLN D 1 12 ? 55.473 -4.436  20.520 1.00 9.44  ?  11  GLN D CD  1 
ATOM   705  O OE1 . GLN D 1 12 ? 55.558 -4.924  21.646 1.00 11.39 ?  11  GLN D OE1 1 
ATOM   706  N NE2 . GLN D 1 12 ? 54.383 -3.809  20.092 1.00 9.47  ?  11  GLN D NE2 1 
ATOM   707  N N   . GLY D 1 13 ? 59.006 -3.821  17.620 1.00 4.69  ?  12  GLY D N   1 
ATOM   708  C CA  . GLY D 1 13 ? 59.708 -2.579  17.511 1.00 5.41  ?  12  GLY D CA  1 
ATOM   709  C C   . GLY D 1 13 ? 59.524 -1.710  18.742 1.00 8.16  ?  12  GLY D C   1 
ATOM   710  O O   . GLY D 1 13 ? 58.794 -2.055  19.681 1.00 4.31  ?  12  GLY D O   1 
ATOM   711  N N   . PRO D 1 14 ? 60.203 -0.568  18.750 1.00 7.47  ?  13  PRO D N   1 
ATOM   712  C CA  . PRO D 1 14 ? 60.093 0.350   19.886 1.00 4.27  ?  13  PRO D CA  1 
ATOM   713  C C   . PRO D 1 14 ? 58.768 1.092   19.870 1.00 4.99  ?  13  PRO D C   1 
ATOM   714  O O   . PRO D 1 14 ? 58.147 1.292   18.824 1.00 5.85  ?  13  PRO D O   1 
ATOM   715  C CB  . PRO D 1 14 ? 61.265 1.316   19.678 1.00 6.52  ?  13  PRO D CB  1 
ATOM   716  C CG  . PRO D 1 14 ? 61.561 1.253   18.221 1.00 5.68  ?  13  PRO D CG  1 
ATOM   717  C CD  . PRO D 1 14 ? 61.187 -0.119  17.751 1.00 4.84  ?  13  PRO D CD  1 
ATOM   718  N N   . ARG D 1 15 ? 58.339 1.505   21.059 1.00 5.82  ?  14  ARG D N   1 
ATOM   719  C CA  . ARG D 1 15 ? 57.090 2.242   21.165 1.00 5.17  ?  14  ARG D CA  1 
ATOM   720  C C   . ARG D 1 15 ? 57.203 3.579   20.447 1.00 10.08 ?  14  ARG D C   1 
ATOM   721  O O   . ARG D 1 15 ? 58.268 4.200   20.399 1.00 5.86  ?  14  ARG D O   1 
ATOM   722  C CB  . ARG D 1 15 ? 56.709 2.461   22.632 1.00 9.53  ?  14  ARG D CB  1 
ATOM   723  C CG  . ARG D 1 15 ? 55.326 3.082   22.805 1.00 5.69  ?  14  ARG D CG  1 
ATOM   724  C CD  . ARG D 1 15 ? 54.930 3.236   24.265 1.00 5.48  ?  14  ARG D CD  1 
ATOM   725  N NE  . ARG D 1 15 ? 55.805 4.132   25.009 1.00 8.48  ?  14  ARG D NE  1 
ATOM   726  C CZ  . ARG D 1 15 ? 56.560 3.759   26.033 1.00 8.52  ?  14  ARG D CZ  1 
ATOM   727  N NH1 . ARG D 1 15 ? 56.624 2.495   26.420 1.00 10.62 ?  14  ARG D NH1 1 
ATOM   728  N NH2 . ARG D 1 15 ? 57.266 4.677   26.687 1.00 5.75  ?  14  ARG D NH2 1 
ATOM   729  N N   . GLY D 1 16 ? 56.090 4.009   19.869 1.00 8.53  ?  15  GLY D N   1 
ATOM   730  C CA  . GLY D 1 16 ? 56.044 5.292   19.200 1.00 6.57  ?  15  GLY D CA  1 
ATOM   731  C C   . GLY D 1 16 ? 56.267 6.446   20.156 1.00 5.02  ?  15  GLY D C   1 
ATOM   732  O O   . GLY D 1 16 ? 56.253 6.316   21.381 1.00 6.89  ?  15  GLY D O   1 
ATOM   733  N N   . ASP D 1 17 ? 56.483 7.612   19.558 1.00 8.25  ?  16  ASP D N   1 
ATOM   734  C CA  . ASP D 1 17 ? 56.736 8.824   20.319 1.00 13.11 ?  16  ASP D CA  1 
ATOM   735  C C   . ASP D 1 17 ? 55.468 9.276   21.036 1.00 7.33  ?  16  ASP D C   1 
ATOM   736  O O   . ASP D 1 17 ? 54.351 9.094   20.544 1.00 9.92  ?  16  ASP D O   1 
ATOM   737  C CB  . ASP D 1 17 ? 57.243 9.923   19.385 1.00 11.96 ?  16  ASP D CB  1 
ATOM   738  C CG  . ASP D 1 17 ? 57.789 11.120  20.129 1.00 21.18 ?  16  ASP D CG  1 
ATOM   739  O OD1 . ASP D 1 17 ? 58.514 10.922  21.127 1.00 23.85 -1 16  ASP D OD1 1 
ATOM   740  O OD2 . ASP D 1 17 ? 57.508 12.262  19.704 1.00 26.12 ?  16  ASP D OD2 1 
ATOM   741  N N   . LYS D 1 18 ? 55.647 9.851   22.224 1.00 7.34  ?  17  LYS D N   1 
ATOM   742  C CA  . LYS D 1 18 ? 54.513 10.414  22.942 1.00 7.06  ?  17  LYS D CA  1 
ATOM   743  C C   . LYS D 1 18 ? 53.880 11.535  22.125 1.00 6.60  ?  17  LYS D C   1 
ATOM   744  O O   . LYS D 1 18 ? 54.555 12.247  21.377 1.00 10.26 ?  17  LYS D O   1 
ATOM   745  C CB  . LYS D 1 18 ? 54.944 10.946  24.311 1.00 14.53 ?  17  LYS D CB  1 
ATOM   746  C CG  . LYS D 1 18 ? 53.777 11.367  25.202 1.00 7.24  ?  17  LYS D CG  1 
ATOM   747  C CD  . LYS D 1 18 ? 54.241 11.821  26.576 1.00 15.69 ?  17  LYS D CD  1 
ATOM   748  C CE  . LYS D 1 18 ? 53.067 12.264  27.441 1.00 10.52 ?  17  LYS D CE  1 
ATOM   749  N NZ  . LYS D 1 18 ? 53.424 12.351  28.886 1.00 25.51 ?  17  LYS D NZ  1 
ATOM   750  N N   . GLY D 1 19 ? 52.564 11.677  22.263 1.00 7.79  ?  18  GLY D N   1 
ATOM   751  C CA  . GLY D 1 19 ? 51.863 12.726  21.559 1.00 10.18 ?  18  GLY D CA  1 
ATOM   752  C C   . GLY D 1 19 ? 52.240 14.107  22.057 1.00 9.75  ?  18  GLY D C   1 
ATOM   753  O O   . GLY D 1 19 ? 52.750 14.290  23.163 1.00 6.91  ?  18  GLY D O   1 
ATOM   754  N N   . GLU D 1 20 ? 51.986 15.101  21.210 1.00 6.14  ?  19  GLU D N   1 
ATOM   755  C CA  . GLU D 1 20 ? 52.290 16.477  21.571 1.00 7.18  ?  19  GLU D CA  1 
ATOM   756  C C   . GLU D 1 20 ? 51.404 16.940  22.720 1.00 11.86 ?  19  GLU D C   1 
ATOM   757  O O   . GLU D 1 20 ? 50.226 16.581  22.805 1.00 10.67 ?  19  GLU D O   1 
ATOM   758  C CB  . GLU D 1 20 ? 52.101 17.404  20.369 1.00 9.52  ?  19  GLU D CB  1 
ATOM   759  C CG  . GLU D 1 20 ? 53.077 17.173  19.228 1.00 7.77  ?  19  GLU D CG  1 
ATOM   760  C CD  . GLU D 1 20 ? 54.524 17.306  19.665 1.00 13.82 ?  19  GLU D CD  1 
ATOM   761  O OE1 . GLU D 1 20 ? 54.918 18.407  20.104 1.00 14.40 ?  19  GLU D OE1 1 
ATOM   762  O OE2 . GLU D 1 20 ? 55.269 16.310  19.559 1.00 9.20  -1 19  GLU D OE2 1 
ATOM   763  N N   . THR D 1 21 ? 51.987 17.732  23.617 1.00 8.46  ?  20  THR D N   1 
ATOM   764  C CA  . THR D 1 21 ? 51.205 18.384  24.658 1.00 8.74  ?  20  THR D CA  1 
ATOM   765  C C   . THR D 1 21 ? 50.190 19.324  24.018 1.00 9.43  ?  20  THR D C   1 
ATOM   766  O O   . THR D 1 21 ? 50.476 19.980  23.013 1.00 6.36  ?  20  THR D O   1 
ATOM   767  C CB  . THR D 1 21 ? 52.130 19.148  25.611 1.00 7.63  ?  20  THR D CB  1 
ATOM   768  O OG1 . THR D 1 21 ? 52.949 18.219  26.332 1.00 11.92 ?  20  THR D OG1 1 
ATOM   769  C CG2 . THR D 1 21 ? 51.331 19.981  26.608 1.00 11.35 ?  20  THR D CG2 1 
ATOM   770  N N   . GLY D 1 22 ? 48.988 19.369  24.590 1.00 12.97 ?  21  GLY D N   1 
ATOM   771  C CA  . GLY D 1 22 ? 47.940 20.201  24.034 1.00 9.99  ?  21  GLY D CA  1 
ATOM   772  C C   . GLY D 1 22 ? 48.284 21.677  24.080 1.00 9.56  ?  21  GLY D C   1 
ATOM   773  O O   . GLY D 1 22 ? 49.180 22.121  24.800 1.00 7.36  ?  21  GLY D O   1 
ATOM   774  N N   . GLU D 1 23 ? 47.552 22.450  23.282 1.00 6.83  ?  22  GLU D N   1 
ATOM   775  C CA  . GLU D 1 23 ? 47.761 23.888  23.242 1.00 11.30 ?  22  GLU D CA  1 
ATOM   776  C C   . GLU D 1 23 ? 47.215 24.549  24.507 1.00 11.03 ?  22  GLU D C   1 
ATOM   777  O O   . GLU D 1 23 ? 46.386 23.991  25.229 1.00 10.36 ?  22  GLU D O   1 
ATOM   778  C CB  . GLU D 1 23 ? 47.097 24.496  22.007 1.00 7.34  ?  22  GLU D CB  1 
ATOM   779  C CG  . GLU D 1 23 ? 47.624 23.951  20.695 1.00 9.01  ?  22  GLU D CG  1 
ATOM   780  C CD  . GLU D 1 23 ? 49.058 24.370  20.440 1.00 11.11 ?  22  GLU D CD  1 
ATOM   781  O OE1 . GLU D 1 23 ? 49.328 25.590  20.429 1.00 15.82 ?  22  GLU D OE1 1 
ATOM   782  O OE2 . GLU D 1 23 ? 49.918 23.484  20.259 1.00 14.62 ?  22  GLU D OE2 1 
ATOM   783  N N   . GLN D 1 24 ? 47.702 25.760  24.768 1.00 7.30  ?  23  GLN D N   1 
ATOM   784  C CA  . GLN D 1 24 ? 47.219 26.534  25.902 1.00 7.28  ?  23  GLN D CA  1 
ATOM   785  C C   . GLN D 1 24 ? 45.759 26.915  25.694 1.00 6.69  ?  23  GLN D C   1 
ATOM   786  O O   . GLN D 1 24 ? 45.332 27.214  24.576 1.00 10.25 ?  23  GLN D O   1 
ATOM   787  C CB  . GLN D 1 24 ? 48.079 27.784  26.094 1.00 12.42 ?  23  GLN D CB  1 
ATOM   788  C CG  . GLN D 1 24 ? 47.571 28.757  27.152 1.00 13.05 ?  23  GLN D CG  1 
ATOM   789  C CD  . GLN D 1 24 ? 48.546 29.889  27.418 1.00 13.55 ?  23  GLN D CD  1 
ATOM   790  O OE1 . GLN D 1 24 ? 48.497 30.933  26.771 1.00 20.55 ?  23  GLN D OE1 1 
ATOM   791  N NE2 . GLN D 1 24 ? 49.438 29.684  28.381 1.00 20.70 ?  23  GLN D NE2 1 
ATOM   792  N N   . GLY D 1 25 ? 44.993 26.894  26.779 1.00 6.38  ?  24  GLY D N   1 
ATOM   793  C CA  . GLY D 1 25 ? 43.586 27.230  26.706 1.00 5.98  ?  24  GLY D CA  1 
ATOM   794  C C   . GLY D 1 25 ? 43.357 28.686  26.344 1.00 6.41  ?  24  GLY D C   1 
ATOM   795  O O   . GLY D 1 25 ? 44.263 29.520  26.327 1.00 6.89  ?  24  GLY D O   1 
ATOM   796  N N   . ASP D 1 26 ? 42.097 28.985  26.035 1.00 6.54  ?  25  ASP D N   1 
ATOM   797  C CA  . ASP D 1 26 ? 41.702 30.352  25.733 1.00 6.66  ?  25  ASP D CA  1 
ATOM   798  C C   . ASP D 1 26 ? 41.952 31.256  26.933 1.00 6.79  ?  25  ASP D C   1 
ATOM   799  O O   . ASP D 1 26 ? 41.929 30.818  28.086 1.00 9.32  ?  25  ASP D O   1 
ATOM   800  C CB  . ASP D 1 26 ? 40.220 30.409  25.352 1.00 6.76  ?  25  ASP D CB  1 
ATOM   801  C CG  . ASP D 1 26 ? 39.946 29.846  23.972 1.00 12.14 ?  25  ASP D CG  1 
ATOM   802  O OD1 . ASP D 1 26 ? 40.869 29.844  23.131 1.00 14.88 ?  25  ASP D OD1 1 
ATOM   803  O OD2 . ASP D 1 26 ? 38.802 29.405  23.730 1.00 11.42 ?  25  ASP D OD2 1 
ATOM   804  N N   . ARG D 1 27 ? 42.199 32.534  26.653 1.00 7.14  ?  26  ARG D N   1 
ATOM   805  C CA  . ARG D 1 27 ? 42.256 33.512  27.726 1.00 7.66  ?  26  ARG D CA  1 
ATOM   806  C C   . ARG D 1 27 ? 40.891 33.614  28.394 1.00 11.32 ?  26  ARG D C   1 
ATOM   807  O O   . ARG D 1 27 ? 39.851 33.360  27.779 1.00 8.02  ?  26  ARG D O   1 
ATOM   808  C CB  . ARG D 1 27 ? 42.686 34.880  27.196 1.00 10.41 ?  26  ARG D CB  1 
ATOM   809  C CG  . ARG D 1 27 ? 41.627 35.596  26.368 1.00 9.14  ?  26  ARG D CG  1 
ATOM   810  C CD  . ARG D 1 27 ? 42.257 36.491  25.314 1.00 16.09 ?  26  ARG D CD  1 
ATOM   811  N NE  . ARG D 1 27 ? 41.258 37.227  24.547 1.00 16.13 ?  26  ARG D NE  1 
ATOM   812  C CZ  . ARG D 1 27 ? 40.615 36.744  23.493 1.00 14.49 ?  26  ARG D CZ  1 
ATOM   813  N NH1 . ARG D 1 27 ? 40.846 35.521  23.043 1.00 11.76 ?  26  ARG D NH1 1 
ATOM   814  N NH2 . ARG D 1 27 ? 39.719 37.507  22.874 1.00 12.16 ?  26  ARG D NH2 1 
ATOM   815  N N   . GLY D 1 28 ? 40.900 33.975  29.672 1.00 9.89  ?  27  GLY D N   1 
ATOM   816  C CA  . GLY D 1 28 ? 39.659 34.099  30.401 1.00 8.14  ?  27  GLY D CA  1 
ATOM   817  C C   . GLY D 1 28 ? 38.827 35.275  29.930 1.00 11.16 ?  27  GLY D C   1 
ATOM   818  O O   . GLY D 1 28 ? 39.289 36.164  29.213 1.00 11.96 ?  27  GLY D O   1 
ATOM   819  N N   . ILE D 1 29 ? 37.556 35.262  30.336 1.00 10.65 ?  28  ILE D N   1 
ATOM   820  C CA  . ILE D 1 29 ? 36.691 36.411  30.099 1.00 9.73  ?  28  ILE D CA  1 
ATOM   821  C C   . ILE D 1 29 ? 37.207 37.598  30.898 1.00 18.75 ?  28  ILE D C   1 
ATOM   822  O O   . ILE D 1 29 ? 37.564 37.470  32.076 1.00 17.64 ?  28  ILE D O   1 
ATOM   823  C CB  . ILE D 1 29 ? 35.240 36.057  30.463 1.00 13.05 ?  28  ILE D CB  1 
ATOM   824  C CG1 . ILE D 1 29 ? 34.658 35.108  29.415 1.00 14.41 ?  28  ILE D CG1 1 
ATOM   825  C CG2 . ILE D 1 29 ? 34.391 37.307  30.618 1.00 19.31 ?  28  ILE D CG2 1 
ATOM   826  C CD1 . ILE D 1 29 ? 34.328 33.762  29.967 1.00 16.51 ?  28  ILE D CD1 1 
ATOM   827  N N   . LYS D 1 30 ? 37.256 38.762  30.257 1.00 16.95 ?  29  LYS D N   1 
ATOM   828  C CA  . LYS D 1 30 ? 37.977 39.901  30.801 1.00 16.87 ?  29  LYS D CA  1 
ATOM   829  C C   . LYS D 1 30 ? 37.116 40.712  31.764 1.00 16.17 ?  29  LYS D C   1 
ATOM   830  O O   . LYS D 1 30 ? 35.897 40.833  31.600 1.00 24.86 ?  29  LYS D O   1 
ATOM   831  C CB  . LYS D 1 30 ? 38.491 40.793  29.668 1.00 19.22 ?  29  LYS D CB  1 
ATOM   832  C CG  . LYS D 1 30 ? 38.578 42.271  30.002 1.00 23.42 ?  29  LYS D CG  1 
ATOM   833  C CD  . LYS D 1 30 ? 39.404 43.020  28.977 1.00 25.92 ?  29  LYS D CD  1 
ATOM   834  C CE  . LYS D 1 30 ? 38.888 44.426  28.744 1.00 31.25 ?  29  LYS D CE  1 
ATOM   835  N NZ  . LYS D 1 30 ? 37.465 44.460  28.314 1.00 32.38 ?  29  LYS D NZ  1 
ATOM   836  N N   . GLY D 1 31 ? 37.770 41.248  32.791 1.00 20.52 ?  30  GLY D N   1 
ATOM   837  C CA  . GLY D 1 31 ? 37.144 42.161  33.725 1.00 28.21 ?  30  GLY D CA  1 
ATOM   838  C C   . GLY D 1 31 ? 37.957 43.433  33.896 1.00 28.45 ?  30  GLY D C   1 
ATOM   839  O O   . GLY D 1 31 ? 39.189 43.434  33.818 1.00 32.17 ?  30  GLY D O   1 
ATOM   840  N N   . ALA E 2 2  ? 73.524 -34.740 2.827  1.00 27.60 ?  1   ALA E N   1 
ATOM   841  C CA  . ALA E 2 2  ? 73.995 -34.295 4.130  1.00 30.39 ?  1   ALA E CA  1 
ATOM   842  C C   . ALA E 2 2  ? 72.876 -33.530 4.848  1.00 31.63 ?  1   ALA E C   1 
ATOM   843  O O   . ALA E 2 2  ? 71.765 -34.041 4.944  1.00 38.59 ?  1   ALA E O   1 
ATOM   844  C CB  . ALA E 2 2  ? 75.232 -33.434 3.996  1.00 29.08 ?  1   ALA E CB  1 
ATOM   845  N N   . VAL E 2 3  ? 73.162 -32.348 5.412  1.00 23.53 ?  2   VAL E N   1 
ATOM   846  C CA  . VAL E 2 3  ? 72.136 -31.550 6.080  1.00 21.82 ?  2   VAL E CA  1 
ATOM   847  C C   . VAL E 2 3  ? 71.741 -30.431 5.143  1.00 27.45 ?  2   VAL E C   1 
ATOM   848  O O   . VAL E 2 3  ? 72.574 -29.896 4.416  1.00 20.10 ?  2   VAL E O   1 
ATOM   849  C CB  . VAL E 2 3  ? 72.630 -30.985 7.424  1.00 23.41 ?  2   VAL E CB  1 
ATOM   850  C CG1 . VAL E 2 3  ? 71.468 -30.247 8.143  1.00 27.12 ?  2   VAL E CG1 1 
ATOM   851  C CG2 . VAL E 2 3  ? 73.265 -32.056 8.286  1.00 26.03 ?  2   VAL E CG2 1 
ATOM   852  N N   . GLY E 2 4  ? 70.459 -30.108 5.140  1.00 26.41 ?  3   GLY E N   1 
ATOM   853  C CA  . GLY E 2 4  ? 69.947 -29.162 4.186  1.00 21.65 ?  3   GLY E CA  1 
ATOM   854  C C   . GLY E 2 4  ? 70.385 -27.718 4.394  1.00 18.53 ?  3   GLY E C   1 
ATOM   855  O O   . GLY E 2 4  ? 71.015 -27.384 5.402  1.00 18.82 ?  3   GLY E O   1 
ATOM   856  N N   . PRO E 2 5  ? 70.056 -26.831 3.447  1.00 17.82 ?  4   PRO E N   1 
ATOM   857  C CA  . PRO E 2 5  ? 70.485 -25.431 3.565  1.00 18.80 ?  4   PRO E CA  1 
ATOM   858  C C   . PRO E 2 5  ? 69.805 -24.740 4.736  1.00 13.75 ?  4   PRO E C   1 
ATOM   859  O O   . PRO E 2 5  ? 68.760 -25.171 5.228  1.00 16.52 ?  4   PRO E O   1 
ATOM   860  C CB  . PRO E 2 5  ? 70.057 -24.808 2.227  1.00 21.00 ?  4   PRO E CB  1 
ATOM   861  C CG  . PRO E 2 5  ? 69.883 -25.991 1.295  1.00 23.25 ?  4   PRO E CG  1 
ATOM   862  C CD  . PRO E 2 5  ? 69.393 -27.103 2.162  1.00 20.61 ?  4   PRO E CD  1 
ATOM   863  N N   . ARG E 2 6  ? 70.440 -23.667 5.204  1.00 19.49 ?  5   ARG E N   1 
ATOM   864  C CA  . ARG E 2 6  ? 69.846 -22.833 6.237  1.00 18.08 ?  5   ARG E CA  1 
ATOM   865  C C   . ARG E 2 6  ? 68.474 -22.350 5.786  1.00 16.95 ?  5   ARG E C   1 
ATOM   866  O O   . ARG E 2 6  ? 68.276 -21.990 4.622  1.00 12.77 ?  5   ARG E O   1 
ATOM   867  C CB  . ARG E 2 6  ? 70.754 -21.639 6.530  1.00 12.70 ?  5   ARG E CB  1 
ATOM   868  C CG  . ARG E 2 6  ? 70.348 -20.817 7.739  1.00 13.48 ?  5   ARG E CG  1 
ATOM   869  C CD  . ARG E 2 6  ? 71.427 -19.804 8.088  1.00 19.90 ?  5   ARG E CD  1 
ATOM   870  N NE  . ARG E 2 6  ? 72.720 -20.434 8.329  1.00 13.19 ?  5   ARG E NE  1 
ATOM   871  C CZ  . ARG E 2 6  ? 73.141 -20.857 9.513  1.00 20.17 ?  5   ARG E CZ  1 
ATOM   872  N NH1 . ARG E 2 6  ? 72.399 -20.720 10.600 1.00 21.15 ?  5   ARG E NH1 1 
ATOM   873  N NH2 . ARG E 2 6  ? 74.340 -21.424 9.610  1.00 16.90 ?  5   ARG E NH2 1 
ATOM   874  N N   . GLY E 2 7  ? 67.520 -22.357 6.711  1.00 11.89 ?  6   GLY E N   1 
ATOM   875  C CA  . GLY E 2 7  ? 66.178 -21.924 6.412  1.00 12.24 ?  6   GLY E CA  1 
ATOM   876  C C   . GLY E 2 7  ? 66.115 -20.446 6.089  1.00 14.36 ?  6   GLY E C   1 
ATOM   877  O O   . GLY E 2 7  ? 67.058 -19.690 6.343  1.00 14.22 ?  6   GLY E O   1 
ATOM   878  N N   . PRO E 2 8  ? 65.005 -20.005 5.503  1.00 11.74 ?  7   PRO E N   1 
ATOM   879  C CA  . PRO E 2 8  ? 64.839 -18.576 5.222  1.00 12.01 ?  7   PRO E CA  1 
ATOM   880  C C   . PRO E 2 8  ? 64.689 -17.774 6.506  1.00 14.09 ?  7   PRO E C   1 
ATOM   881  O O   . PRO E 2 8  ? 64.344 -18.297 7.568  1.00 12.29 ?  7   PRO E O   1 
ATOM   882  C CB  . PRO E 2 8  ? 63.558 -18.512 4.381  1.00 14.70 ?  7   PRO E CB  1 
ATOM   883  C CG  . PRO E 2 8  ? 62.884 -19.829 4.573  1.00 17.77 ?  7   PRO E CG  1 
ATOM   884  C CD  . PRO E 2 8  ? 63.952 -20.825 4.881  1.00 22.26 ?  7   PRO E CD  1 
ATOM   885  N N   . SER E 2 9  ? 64.951 -16.476 6.390  1.00 12.79 ?  8   SER E N   1 
ATOM   886  C CA  . SER E 2 9  ? 64.860 -15.593 7.543  1.00 11.31 ?  8   SER E CA  1 
ATOM   887  C C   . SER E 2 9  ? 63.409 -15.427 7.976  1.00 15.16 ?  8   SER E C   1 
ATOM   888  O O   . SER E 2 9  ? 62.481 -15.475 7.163  1.00 10.51 ?  8   SER E O   1 
ATOM   889  C CB  . SER E 2 9  ? 65.469 -14.227 7.223  1.00 13.74 ?  8   SER E CB  1 
ATOM   890  O OG  . SER E 2 9  ? 65.112 -13.800 5.920  1.00 26.04 ?  8   SER E OG  1 
ATOM   891  N N   . GLY E 2 10 ? 63.219 -15.235 9.278  1.00 18.15 ?  9   GLY E N   1 
ATOM   892  C CA  . GLY E 2 10 ? 61.903 -15.034 9.831  1.00 8.92  ?  9   GLY E CA  1 
ATOM   893  C C   . GLY E 2 10 ? 61.323 -13.695 9.428  1.00 14.75 ?  9   GLY E C   1 
ATOM   894  O O   . GLY E 2 10 ? 62.014 -12.832 8.879  1.00 13.69 ?  9   GLY E O   1 
ATOM   895  N N   . PRO E 2 11 ? 60.033 -13.501 9.684  1.00 11.31 ?  10  PRO E N   1 
ATOM   896  C CA  . PRO E 2 11 ? 59.410 -12.215 9.356  1.00 15.18 ?  10  PRO E CA  1 
ATOM   897  C C   . PRO E 2 11 ? 59.858 -11.124 10.314 1.00 10.83 ?  10  PRO E C   1 
ATOM   898  O O   . PRO E 2 11 ? 60.286 -11.389 11.441 1.00 7.92  ?  10  PRO E O   1 
ATOM   899  C CB  . PRO E 2 11 ? 57.907 -12.490 9.492  1.00 14.94 ?  10  PRO E CB  1 
ATOM   900  C CG  . PRO E 2 11 ? 57.782 -13.765 10.249 1.00 14.36 ?  10  PRO E CG  1 
ATOM   901  C CD  . PRO E 2 11 ? 59.083 -14.493 10.216 1.00 10.37 ?  10  PRO E CD  1 
ATOM   902  N N   . GLN E 2 12 ? 59.774 -9.882  9.843  1.00 8.58  ?  11  GLN E N   1 
ATOM   903  C CA  . GLN E 2 12 ? 59.992 -8.739  10.720 1.00 8.20  ?  11  GLN E CA  1 
ATOM   904  C C   . GLN E 2 12 ? 58.998 -8.775  11.872 1.00 9.05  ?  11  GLN E C   1 
ATOM   905  O O   . GLN E 2 12 ? 57.842 -9.172  11.703 1.00 7.98  ?  11  GLN E O   1 
ATOM   906  C CB  . GLN E 2 12 ? 59.848 -7.431  9.937  1.00 13.36 ?  11  GLN E CB  1 
ATOM   907  C CG  . GLN E 2 12 ? 59.910 -6.169  10.793 1.00 13.78 ?  11  GLN E CG  1 
ATOM   908  C CD  . GLN E 2 12 ? 60.276 -4.935  9.993  1.00 21.52 ?  11  GLN E CD  1 
ATOM   909  O OE1 . GLN E 2 12 ? 59.576 -4.565  9.050  1.00 20.13 ?  11  GLN E OE1 1 
ATOM   910  N NE2 . GLN E 2 12 ? 61.366 -4.281  10.376 1.00 19.89 ?  11  GLN E NE2 1 
ATOM   911  N N   . GLY E 2 13 ? 59.458 -8.376  13.051 1.00 7.24  ?  12  GLY E N   1 
ATOM   912  C CA  . GLY E 2 13 ? 58.593 -8.337  14.213 1.00 10.05 ?  12  GLY E CA  1 
ATOM   913  C C   . GLY E 2 13 ? 57.441 -7.366  14.037 1.00 11.72 ?  12  GLY E C   1 
ATOM   914  O O   . GLY E 2 13 ? 57.395 -6.546  13.120 1.00 8.77  ?  12  GLY E O   1 
ATOM   915  N N   . ILE E 2 14 ? 56.477 -7.474  14.952 1.00 7.07  ?  13  ILE E N   1 
ATOM   916  C CA  . ILE E 2 14 ? 55.321 -6.592  14.912 1.00 9.37  ?  13  ILE E CA  1 
ATOM   917  C C   . ILE E 2 14 ? 55.753 -5.156  15.188 1.00 9.33  ?  13  ILE E C   1 
ATOM   918  O O   . ILE E 2 14 ? 56.753 -4.896  15.871 1.00 7.78  ?  13  ILE E O   1 
ATOM   919  C CB  . ILE E 2 14 ? 54.241 -7.058  15.906 1.00 12.50 ?  13  ILE E CB  1 
ATOM   920  C CG1 . ILE E 2 14 ? 54.646 -6.723  17.344 1.00 10.48 ?  13  ILE E CG1 1 
ATOM   921  C CG2 . ILE E 2 14 ? 53.964 -8.546  15.738 1.00 13.16 ?  13  ILE E CG2 1 
ATOM   922  C CD1 . ILE E 2 14 ? 53.505 -6.811  18.336 1.00 7.52  ?  13  ILE E CD1 1 
ATOM   923  N N   . ARG E 2 15 ? 54.996 -4.212  14.631 1.00 7.83  ?  14  ARG E N   1 
ATOM   924  C CA  . ARG E 2 15 ? 55.305 -2.800  14.796 1.00 9.89  ?  14  ARG E CA  1 
ATOM   925  C C   . ARG E 2 15 ? 55.191 -2.406  16.264 1.00 6.80  ?  14  ARG E C   1 
ATOM   926  O O   . ARG E 2 15 ? 54.470 -3.033  17.046 1.00 8.04  ?  14  ARG E O   1 
ATOM   927  C CB  . ARG E 2 15 ? 54.363 -1.954  13.932 1.00 14.76 ?  14  ARG E CB  1 
ATOM   928  C CG  . ARG E 2 15 ? 52.885 -2.166  14.233 1.00 18.76 ?  14  ARG E CG  1 
ATOM   929  C CD  . ARG E 2 15 ? 51.960 -1.612  13.142 1.00 22.37 ?  14  ARG E CD  1 
ATOM   930  N NE  . ARG E 2 15 ? 52.198 -0.220  12.775 1.00 25.33 ?  14  ARG E NE  1 
ATOM   931  C CZ  . ARG E 2 15 ? 51.628 0.378   11.736 1.00 20.42 ?  14  ARG E CZ  1 
ATOM   932  N NH1 . ARG E 2 15 ? 50.799 -0.272  10.933 1.00 19.44 ?  14  ARG E NH1 1 
ATOM   933  N NH2 . ARG E 2 15 ? 51.899 1.657   11.493 1.00 18.78 ?  14  ARG E NH2 1 
ATOM   934  N N   . GLY E 2 16 ? 55.930 -1.367  16.640 1.00 6.68  ?  15  GLY E N   1 
ATOM   935  C CA  . GLY E 2 16 ? 55.939 -0.937  18.021 1.00 8.28  ?  15  GLY E CA  1 
ATOM   936  C C   . GLY E 2 16 ? 54.588 -0.420  18.474 1.00 6.52  ?  15  GLY E C   1 
ATOM   937  O O   . GLY E 2 16 ? 53.730 -0.038  17.675 1.00 6.85  ?  15  GLY E O   1 
ATOM   938  N N   . ASP E 2 17 ? 54.404 -0.425  19.793 1.00 6.42  ?  16  ASP E N   1 
ATOM   939  C CA  . ASP E 2 17 ? 53.196 0.122   20.388 1.00 6.61  ?  16  ASP E CA  1 
ATOM   940  C C   . ASP E 2 17 ? 52.977 1.558   19.937 1.00 6.72  ?  16  ASP E C   1 
ATOM   941  O O   . ASP E 2 17 ? 53.927 2.310   19.707 1.00 9.18  ?  16  ASP E O   1 
ATOM   942  C CB  . ASP E 2 17 ? 53.280 0.083   21.914 1.00 6.65  ?  16  ASP E CB  1 
ATOM   943  C CG  . ASP E 2 17 ? 53.260 -1.322  22.468 1.00 6.86  ?  16  ASP E CG  1 
ATOM   944  O OD1 . ASP E 2 17 ? 52.858 -2.244  21.731 1.00 8.01  -1 16  ASP E OD1 1 
ATOM   945  O OD2 . ASP E 2 17 ? 53.624 -1.500  23.648 1.00 14.15 ?  16  ASP E OD2 1 
ATOM   946  N N   . LYS E 2 18 ? 51.707 1.931   19.806 1.00 7.06  ?  17  LYS E N   1 
ATOM   947  C CA  . LYS E 2 18 ? 51.379 3.330   19.590 1.00 7.91  ?  17  LYS E CA  1 
ATOM   948  C C   . LYS E 2 18 ? 51.907 4.181   20.738 1.00 10.38 ?  17  LYS E C   1 
ATOM   949  O O   . LYS E 2 18 ? 51.934 3.759   21.898 1.00 6.95  ?  17  LYS E O   1 
ATOM   950  C CB  . LYS E 2 18 ? 49.871 3.524   19.455 1.00 13.03 ?  17  LYS E CB  1 
ATOM   951  C CG  . LYS E 2 18 ? 49.511 4.962   19.167 1.00 16.03 ?  17  LYS E CG  1 
ATOM   952  C CD  . LYS E 2 18 ? 48.257 5.127   18.365 1.00 22.21 ?  17  LYS E CD  1 
ATOM   953  C CE  . LYS E 2 18 ? 48.051 6.600   18.123 1.00 21.28 ?  17  LYS E CE  1 
ATOM   954  N NZ  . LYS E 2 18 ? 48.200 6.942   16.678 1.00 18.00 ?  17  LYS E NZ  1 
ATOM   955  N N   . GLY E 2 19 ? 52.327 5.396   20.398 1.00 7.40  ?  18  GLY E N   1 
ATOM   956  C CA  . GLY E 2 19 ? 52.880 6.287   21.392 1.00 7.30  ?  18  GLY E CA  1 
ATOM   957  C C   . GLY E 2 19 ? 51.863 6.696   22.441 1.00 7.37  ?  18  GLY E C   1 
ATOM   958  O O   . GLY E 2 19 ? 50.659 6.771   22.193 1.00 7.59  ?  18  GLY E O   1 
ATOM   959  N N   . GLU E 2 20 ? 52.380 6.936   23.640 1.00 10.54 ?  19  GLU E N   1 
ATOM   960  C CA  . GLU E 2 20 ? 51.645 7.513   24.759 1.00 10.68 ?  19  GLU E CA  1 
ATOM   961  C C   . GLU E 2 20 ? 50.810 8.723   24.339 1.00 12.97 ?  19  GLU E C   1 
ATOM   962  O O   . GLU E 2 20 ? 51.220 9.490   23.468 1.00 14.27 ?  19  GLU E O   1 
ATOM   963  C CB  . GLU E 2 20 ? 52.652 7.914   25.837 1.00 11.44 ?  19  GLU E CB  1 
ATOM   964  C CG  . GLU E 2 20 ? 52.105 8.175   27.220 1.00 20.37 ?  19  GLU E CG  1 
ATOM   965  C CD  . GLU E 2 20 ? 53.209 8.601   28.167 1.00 21.46 ?  19  GLU E CD  1 
ATOM   966  O OE1 . GLU E 2 20 ? 54.357 8.146   27.971 1.00 15.94 ?  19  GLU E OE1 1 
ATOM   967  O OE2 . GLU E 2 20 ? 52.940 9.397   29.090 1.00 19.61 -1 19  GLU E OE2 1 
HETATM 968  N N   . HYP E 2 21 ? 49.638 8.890   24.946 1.00 16.97 ?  20  HYP E N   1 
HETATM 969  C CA  . HYP E 2 21 ? 48.826 10.105  24.677 1.00 9.66  ?  20  HYP E CA  1 
HETATM 970  C C   . HYP E 2 21 ? 49.557 11.420  25.135 1.00 11.14 ?  20  HYP E C   1 
HETATM 971  O O   . HYP E 2 21 ? 50.261 11.412  26.161 1.00 11.22 ?  20  HYP E O   1 
HETATM 972  C CB  . HYP E 2 21 ? 47.478 9.956   25.401 1.00 15.53 ?  20  HYP E CB  1 
HETATM 973  C CG  . HYP E 2 21 ? 47.297 8.451   25.604 1.00 19.34 ?  20  HYP E CG  1 
HETATM 974  C CD  . HYP E 2 21 ? 48.773 7.987   25.759 1.00 15.76 ?  20  HYP E CD  1 
HETATM 975  O OD1 . HYP E 2 21 ? 46.616 7.793   24.585 1.00 18.23 ?  20  HYP E OD1 1 
ATOM   976  N N   . GLY E 2 22 ? 49.392 12.495  24.374 1.00 16.49 ?  21  GLY E N   1 
ATOM   977  C CA  . GLY E 2 22 ? 49.961 13.773  24.750 1.00 10.47 ?  21  GLY E CA  1 
ATOM   978  C C   . GLY E 2 22 ? 49.277 14.315  25.985 1.00 12.52 ?  21  GLY E C   1 
ATOM   979  O O   . GLY E 2 22 ? 48.092 14.067  26.203 1.00 9.88  ?  21  GLY E O   1 
ATOM   980  N N   . GLU E 2 23 ? 50.021 15.046  26.809 1.00 12.92 ?  22  GLU E N   1 
ATOM   981  C CA  . GLU E 2 23 ? 49.418 15.655  27.981 1.00 16.02 ?  22  GLU E CA  1 
ATOM   982  C C   . GLU E 2 23 ? 48.503 16.803  27.579 1.00 13.89 ?  22  GLU E C   1 
ATOM   983  O O   . GLU E 2 23 ? 48.669 17.427  26.527 1.00 12.13 ?  22  GLU E O   1 
ATOM   984  C CB  . GLU E 2 23 ? 50.490 16.144  28.950 1.00 19.42 ?  22  GLU E CB  1 
ATOM   985  C CG  . GLU E 2 23 ? 51.568 15.117  29.193 1.00 17.35 ?  22  GLU E CG  1 
ATOM   986  C CD  . GLU E 2 23 ? 51.226 14.220  30.361 1.00 20.68 ?  22  GLU E CD  1 
ATOM   987  O OE1 . GLU E 2 23 ? 50.484 14.673  31.258 1.00 25.91 ?  22  GLU E OE1 1 
ATOM   988  O OE2 . GLU E 2 23 ? 51.679 13.057  30.373 1.00 28.64 -1 22  GLU E OE2 1 
ATOM   989  N N   . LYS E 2 24 ? 47.518 17.067  28.429 1.00 11.35 ?  23  LYS E N   1 
ATOM   990  C CA  . LYS E 2 24 ? 46.551 18.113  28.147 1.00 9.47  ?  23  LYS E CA  1 
ATOM   991  C C   . LYS E 2 24 ? 47.207 19.481  28.314 1.00 10.28 ?  23  LYS E C   1 
ATOM   992  O O   . LYS E 2 24 ? 48.121 19.662  29.123 1.00 12.51 ?  23  LYS E O   1 
ATOM   993  C CB  . LYS E 2 24 ? 45.332 17.949  29.059 1.00 11.40 ?  23  LYS E CB  1 
ATOM   994  C CG  . LYS E 2 24 ? 44.415 19.151  29.188 1.00 19.22 ?  23  LYS E CG  1 
ATOM   995  C CD  . LYS E 2 24 ? 43.101 18.727  29.831 1.00 20.27 ?  23  LYS E CD  1 
ATOM   996  C CE  . LYS E 2 24 ? 42.215 19.917  30.158 1.00 22.31 ?  23  LYS E CE  1 
ATOM   997  N NZ  . LYS E 2 24 ? 41.971 20.046  31.621 1.00 27.72 ?  23  LYS E NZ  1 
ATOM   998  N N   . GLY E 2 25 ? 46.755 20.438  27.508 1.00 9.15  ?  24  GLY E N   1 
ATOM   999  C CA  . GLY E 2 25 ? 47.350 21.752  27.475 1.00 9.67  ?  24  GLY E CA  1 
ATOM   1000 C C   . GLY E 2 25 ? 47.211 22.505  28.781 1.00 8.45  ?  24  GLY E C   1 
ATOM   1001 O O   . GLY E 2 25 ? 46.387 22.169  29.638 1.00 8.86  ?  24  GLY E O   1 
ATOM   1002 N N   . PRO E 2 26 ? 48.026 23.540  28.960 1.00 8.52  ?  25  PRO E N   1 
ATOM   1003 C CA  . PRO E 2 26 ? 47.926 24.361  30.168 1.00 13.40 ?  25  PRO E CA  1 
ATOM   1004 C C   . PRO E 2 26 ? 46.730 25.300  30.106 1.00 8.50  ?  25  PRO E C   1 
ATOM   1005 O O   . PRO E 2 26 ? 46.229 25.648  29.036 1.00 7.99  ?  25  PRO E O   1 
ATOM   1006 C CB  . PRO E 2 26 ? 49.242 25.145  30.174 1.00 9.36  ?  25  PRO E CB  1 
ATOM   1007 C CG  . PRO E 2 26 ? 49.622 25.238  28.735 1.00 13.16 ?  25  PRO E CG  1 
ATOM   1008 C CD  . PRO E 2 26 ? 49.111 23.986  28.068 1.00 9.88  ?  25  PRO E CD  1 
ATOM   1009 N N   . ARG E 2 27 ? 46.275 25.705  31.290 1.00 12.64 ?  26  ARG E N   1 
ATOM   1010 C CA  A ARG E 2 27 ? 45.147 26.619  31.378 0.46 8.97  ?  26  ARG E CA  1 
ATOM   1011 C CA  B ARG E 2 27 ? 45.147 26.620  31.377 0.54 8.97  ?  26  ARG E CA  1 
ATOM   1012 C C   . ARG E 2 27 ? 45.499 27.963  30.748 1.00 13.97 ?  26  ARG E C   1 
ATOM   1013 O O   . ARG E 2 27 ? 46.641 28.426  30.810 1.00 13.73 ?  26  ARG E O   1 
ATOM   1014 C CB  A ARG E 2 27 ? 44.723 26.795  32.838 0.46 15.06 ?  26  ARG E CB  1 
ATOM   1015 C CB  B ARG E 2 27 ? 44.718 26.827  32.831 0.54 14.88 ?  26  ARG E CB  1 
ATOM   1016 C CG  A ARG E 2 27 ? 43.476 27.646  33.047 0.46 13.07 ?  26  ARG E CG  1 
ATOM   1017 C CG  B ARG E 2 27 ? 43.431 27.633  32.965 0.54 11.95 ?  26  ARG E CG  1 
ATOM   1018 C CD  A ARG E 2 27 ? 42.867 27.397  34.419 0.46 17.02 ?  26  ARG E CD  1 
ATOM   1019 C CD  B ARG E 2 27 ? 42.769 27.491  34.326 0.54 17.26 ?  26  ARG E CD  1 
ATOM   1020 N NE  A ARG E 2 27 ? 41.683 26.550  34.320 0.46 24.68 ?  26  ARG E NE  1 
ATOM   1021 N NE  B ARG E 2 27 ? 41.778 26.422  34.341 0.54 25.12 ?  26  ARG E NE  1 
ATOM   1022 C CZ  A ARG E 2 27 ? 40.435 27.002  34.329 0.46 18.16 ?  26  ARG E CZ  1 
ATOM   1023 C CZ  B ARG E 2 27 ? 41.447 25.724  35.419 0.54 22.12 ?  26  ARG E CZ  1 
ATOM   1024 N NH1 A ARG E 2 27 ? 40.165 28.282  34.534 0.46 25.57 ?  26  ARG E NH1 1 
ATOM   1025 N NH1 B ARG E 2 27 ? 41.926 26.029  36.613 0.54 24.97 ?  26  ARG E NH1 1 
ATOM   1026 N NH2 A ARG E 2 27 ? 39.435 26.151  34.121 0.46 18.46 ?  26  ARG E NH2 1 
ATOM   1027 N NH2 B ARG E 2 27 ? 40.603 24.703  35.296 0.54 18.77 ?  26  ARG E NH2 1 
ATOM   1028 N N   . GLY E 2 28 ? 44.500 28.583  30.125 1.00 8.30  ?  27  GLY E N   1 
ATOM   1029 C CA  . GLY E 2 28 ? 44.702 29.889  29.538 1.00 13.54 ?  27  GLY E CA  1 
ATOM   1030 C C   . GLY E 2 28 ? 45.011 30.939  30.585 1.00 10.11 ?  27  GLY E C   1 
ATOM   1031 O O   . GLY E 2 28 ? 44.809 30.751  31.787 1.00 12.15 ?  27  GLY E O   1 
ATOM   1032 N N   . LEU E 2 29 ? 45.524 32.066  30.110 1.00 8.55  ?  28  LEU E N   1 
ATOM   1033 C CA  . LEU E 2 29 ? 45.855 33.172  30.993 1.00 9.02  ?  28  LEU E CA  1 
ATOM   1034 C C   . LEU E 2 29 ? 44.587 33.780  31.571 1.00 11.48 ?  28  LEU E C   1 
ATOM   1035 O O   . LEU E 2 29 ? 43.520 33.723  30.958 1.00 10.56 ?  28  LEU E O   1 
ATOM   1036 C CB  . LEU E 2 29 ? 46.669 34.232  30.248 1.00 10.98 ?  28  LEU E CB  1 
ATOM   1037 C CG  . LEU E 2 29 ? 47.863 33.709  29.450 1.00 15.73 ?  28  LEU E CG  1 
ATOM   1038 C CD1 . LEU E 2 29 ? 48.707 34.860  28.930 1.00 17.66 ?  28  LEU E CD1 1 
ATOM   1039 C CD2 . LEU E 2 29 ? 48.706 32.774  30.307 1.00 17.09 ?  28  LEU E CD2 1 
HETATM 1040 N N   . HYP E 2 30 ? 44.710 34.347  32.765 1.00 13.06 ?  29  HYP E N   1 
HETATM 1041 C CA  . HYP E 2 30 ? 43.570 35.030  33.410 1.00 10.68 ?  29  HYP E CA  1 
HETATM 1042 C C   . HYP E 2 30 ? 43.042 36.242  32.544 1.00 13.14 ?  29  HYP E C   1 
HETATM 1043 O O   . HYP E 2 30 ? 43.813 36.832  31.765 1.00 17.29 ?  29  HYP E O   1 
HETATM 1044 C CB  . HYP E 2 30 ? 44.032 35.483  34.809 1.00 11.45 ?  29  HYP E CB  1 
HETATM 1045 C CG  . HYP E 2 30 ? 45.276 34.637  35.126 1.00 15.35 ?  29  HYP E CG  1 
HETATM 1046 C CD  . HYP E 2 30 ? 45.852 34.432  33.708 1.00 10.83 ?  29  HYP E CD  1 
HETATM 1047 O OD1 . HYP E 2 30 ? 45.037 33.442  35.801 1.00 16.92 ?  29  HYP E OD1 1 
ATOM   1048 N N   . GLY E 2 31 ? 41.761 36.564  32.692 1.00 12.19 ?  30  GLY E N   1 
ATOM   1049 C CA  . GLY E 2 31 ? 41.125 37.592  31.887 1.00 15.77 ?  30  GLY E CA  1 
ATOM   1050 C C   . GLY E 2 31 ? 41.813 38.941  31.928 1.00 16.70 ?  30  GLY E C   1 
ATOM   1051 O O   . GLY E 2 31 ? 41.776 39.634  32.942 1.00 27.86 ?  30  GLY E O   1 
HETATM 1052 C C   . ACE F 2 1  ? 67.700 -35.555 6.284  1.00 66.86 ?  0   ACE F C   1 
HETATM 1053 O O   . ACE F 2 1  ? 67.755 -36.285 5.303  1.00 66.83 ?  0   ACE F O   1 
HETATM 1054 C CH3 . ACE F 2 1  ? 66.413 -35.312 7.022  1.00 66.60 ?  0   ACE F CH3 1 
ATOM   1055 N N   . ALA F 2 2  ? 68.811 -34.957 6.713  1.00 31.08 ?  1   ALA F N   1 
ATOM   1056 C CA  . ALA F 2 2  ? 68.884 -34.054 7.856  1.00 31.10 ?  1   ALA F CA  1 
ATOM   1057 C C   . ALA F 2 2  ? 68.278 -32.706 7.498  1.00 29.84 ?  1   ALA F C   1 
ATOM   1058 O O   . ALA F 2 2  ? 68.782 -31.993 6.628  1.00 29.47 ?  1   ALA F O   1 
ATOM   1059 C CB  . ALA F 2 2  ? 70.313 -33.894 8.306  1.00 30.30 ?  1   ALA F CB  1 
ATOM   1060 N N   . VAL F 2 3  ? 67.164 -32.384 8.159  1.00 29.87 ?  2   VAL F N   1 
ATOM   1061 C CA  . VAL F 2 3  ? 66.485 -31.126 7.898  1.00 29.38 ?  2   VAL F CA  1 
ATOM   1062 C C   . VAL F 2 3  ? 67.432 -29.983 8.223  1.00 29.02 ?  2   VAL F C   1 
ATOM   1063 O O   . VAL F 2 3  ? 68.133 -30.000 9.244  1.00 32.16 ?  2   VAL F O   1 
ATOM   1064 C CB  . VAL F 2 3  ? 65.183 -31.040 8.713  1.00 29.87 ?  2   VAL F CB  1 
ATOM   1065 C CG1 . VAL F 2 3  ? 64.566 -29.648 8.606  1.00 29.90 ?  2   VAL F CG1 1 
ATOM   1066 C CG2 . VAL F 2 3  ? 64.203 -32.114 8.267  1.00 30.95 ?  2   VAL F CG2 1 
ATOM   1067 N N   . GLY F 2 4  ? 67.481 -28.996 7.332  1.00 28.39 ?  3   GLY F N   1 
ATOM   1068 C CA  . GLY F 2 4  ? 68.446 -27.930 7.420  1.00 32.11 ?  3   GLY F CA  1 
ATOM   1069 C C   . GLY F 2 4  ? 68.330 -27.114 8.687  1.00 29.30 ?  3   GLY F C   1 
ATOM   1070 O O   . GLY F 2 4  ? 67.360 -27.223 9.447  1.00 28.30 ?  3   GLY F O   1 
ATOM   1071 N N   . PRO F 2 5  ? 69.341 -26.289 8.949  1.00 27.51 ?  4   PRO F N   1 
ATOM   1072 C CA  . PRO F 2 5  ? 69.266 -25.381 10.094 1.00 26.33 ?  4   PRO F CA  1 
ATOM   1073 C C   . PRO F 2 5  ? 68.068 -24.454 9.976  1.00 29.05 ?  4   PRO F C   1 
ATOM   1074 O O   . PRO F 2 5  ? 67.700 -24.016 8.885  1.00 25.95 ?  4   PRO F O   1 
ATOM   1075 C CB  . PRO F 2 5  ? 70.585 -24.608 10.023 1.00 26.02 ?  4   PRO F CB  1 
ATOM   1076 C CG  . PRO F 2 5  ? 71.515 -25.526 9.302  1.00 26.29 ?  4   PRO F CG  1 
ATOM   1077 C CD  . PRO F 2 5  ? 70.669 -26.275 8.314  1.00 28.13 ?  4   PRO F CD  1 
ATOM   1078 N N   . ARG F 2 6  ? 67.449 -24.178 11.117 1.00 29.66 ?  5   ARG F N   1 
ATOM   1079 C CA  . ARG F 2 6  ? 66.388 -23.188 11.169 1.00 26.29 ?  5   ARG F CA  1 
ATOM   1080 C C   . ARG F 2 6  ? 66.911 -21.835 10.714 1.00 25.59 ?  5   ARG F C   1 
ATOM   1081 O O   . ARG F 2 6  ? 68.024 -21.432 11.063 1.00 25.35 ?  5   ARG F O   1 
ATOM   1082 C CB  . ARG F 2 6  ? 65.850 -23.090 12.585 1.00 26.70 ?  5   ARG F CB  1 
ATOM   1083 C CG  . ARG F 2 6  ? 64.823 -22.025 12.822 1.00 26.84 ?  5   ARG F CG  1 
ATOM   1084 C CD  . ARG F 2 6  ? 63.979 -22.529 13.942 1.00 32.24 ?  5   ARG F CD  1 
ATOM   1085 N NE  . ARG F 2 6  ? 63.091 -21.554 14.556 1.00 30.66 ?  5   ARG F NE  1 
ATOM   1086 C CZ  . ARG F 2 6  ? 61.920 -21.188 14.062 1.00 28.12 ?  5   ARG F CZ  1 
ATOM   1087 N NH1 . ARG F 2 6  ? 61.504 -21.619 12.885 1.00 32.23 ?  5   ARG F NH1 1 
ATOM   1088 N NH2 . ARG F 2 6  ? 61.148 -20.369 14.769 1.00 28.55 ?  5   ARG F NH2 1 
ATOM   1089 N N   . GLY F 2 7  ? 66.094 -21.132 9.936  1.00 14.58 ?  6   GLY F N   1 
ATOM   1090 C CA  . GLY F 2 7  ? 66.455 -19.835 9.426  1.00 10.11 ?  6   GLY F CA  1 
ATOM   1091 C C   . GLY F 2 7  ? 66.740 -18.837 10.527 1.00 15.16 ?  6   GLY F C   1 
ATOM   1092 O O   . GLY F 2 7  ? 66.325 -19.004 11.678 1.00 14.93 ?  6   GLY F O   1 
ATOM   1093 N N   . PRO F 2 8  ? 67.480 -17.786 10.195 1.00 14.02 ?  7   PRO F N   1 
ATOM   1094 C CA  . PRO F 2 8  ? 67.751 -16.736 11.178 1.00 11.64 ?  7   PRO F CA  1 
ATOM   1095 C C   . PRO F 2 8  ? 66.486 -15.968 11.530 1.00 14.84 ?  7   PRO F C   1 
ATOM   1096 O O   . PRO F 2 8  ? 65.471 -16.022 10.832 1.00 15.27 ?  7   PRO F O   1 
ATOM   1097 C CB  . PRO F 2 8  ? 68.767 -15.837 10.461 1.00 9.90  ?  7   PRO F CB  1 
ATOM   1098 C CG  . PRO F 2 8  ? 68.525 -16.112 9.002  1.00 13.51 ?  7   PRO F CG  1 
ATOM   1099 C CD  . PRO F 2 8  ? 68.260 -17.583 8.963  1.00 18.94 ?  7   PRO F CD  1 
ATOM   1100 N N   . SER F 2 9  ? 66.563 -15.244 12.642 1.00 15.11 ?  8   SER F N   1 
ATOM   1101 C CA  . SER F 2 9  ? 65.428 -14.459 13.104 1.00 12.34 ?  8   SER F CA  1 
ATOM   1102 C C   . SER F 2 9  ? 65.223 -13.233 12.223 1.00 12.35 ?  8   SER F C   1 
ATOM   1103 O O   . SER F 2 9  ? 66.160 -12.710 11.614 1.00 8.78  ?  8   SER F O   1 
ATOM   1104 C CB  . SER F 2 9  ? 65.632 -14.031 14.557 1.00 19.44 ?  8   SER F CB  1 
ATOM   1105 O OG  . SER F 2 9  ? 65.048 -12.762 14.797 1.00 21.25 ?  8   SER F OG  1 
ATOM   1106 N N   . GLY F 2 10 ? 63.976 -12.779 12.158 1.00 11.66 ?  9   GLY F N   1 
ATOM   1107 C CA  . GLY F 2 10 ? 63.629 -11.620 11.371 1.00 12.01 ?  9   GLY F CA  1 
ATOM   1108 C C   . GLY F 2 10 ? 64.089 -10.340 12.032 1.00 14.85 ?  9   GLY F C   1 
ATOM   1109 O O   . GLY F 2 10 ? 64.490 -10.327 13.200 1.00 11.10 ?  9   GLY F O   1 
ATOM   1110 N N   . PRO F 2 11 ? 64.047 -9.234  11.294 1.00 14.72 ?  10  PRO F N   1 
ATOM   1111 C CA  . PRO F 2 11 ? 64.443 -7.953  11.887 1.00 10.97 ?  10  PRO F CA  1 
ATOM   1112 C C   . PRO F 2 11 ? 63.461 -7.532  12.966 1.00 8.91  ?  10  PRO F C   1 
ATOM   1113 O O   . PRO F 2 11 ? 62.281 -7.887  12.940 1.00 11.62 ?  10  PRO F O   1 
ATOM   1114 C CB  . PRO F 2 11 ? 64.427 -6.976  10.704 1.00 16.90 ?  10  PRO F CB  1 
ATOM   1115 C CG  . PRO F 2 11 ? 64.151 -7.773  9.491  1.00 18.02 ?  10  PRO F CG  1 
ATOM   1116 C CD  . PRO F 2 11 ? 63.635 -9.112  9.888  1.00 11.05 ?  10  PRO F CD  1 
ATOM   1117 N N   . GLN F 2 12 ? 63.974 -6.779  13.932 1.00 8.15  ?  11  GLN F N   1 
ATOM   1118 C CA  . GLN F 2 12 ? 63.119 -6.161  14.934 1.00 7.77  ?  11  GLN F CA  1 
ATOM   1119 C C   . GLN F 2 12 ? 62.138 -5.209  14.257 1.00 9.00  ?  11  GLN F C   1 
ATOM   1120 O O   . GLN F 2 12 ? 62.453 -4.573  13.248 1.00 8.47  ?  11  GLN F O   1 
ATOM   1121 C CB  . GLN F 2 12 ? 63.985 -5.438  15.970 1.00 8.70  ?  11  GLN F CB  1 
ATOM   1122 C CG  . GLN F 2 12 ? 63.320 -4.318  16.746 1.00 16.89 ?  11  GLN F CG  1 
ATOM   1123 C CD  . GLN F 2 12 ? 63.920 -4.158  18.132 1.00 18.87 ?  11  GLN F CD  1 
ATOM   1124 O OE1 . GLN F 2 12 ? 65.134 -4.011  18.286 1.00 10.10 ?  11  GLN F OE1 1 
ATOM   1125 N NE2 . GLN F 2 12 ? 63.070 -4.193  19.150 1.00 11.35 ?  11  GLN F NE2 1 
ATOM   1126 N N   . GLY F 2 13 ? 60.930 -5.137  14.807 1.00 12.35 ?  12  GLY F N   1 
ATOM   1127 C CA  . GLY F 2 13 ? 59.857 -4.392  14.177 1.00 8.50  ?  12  GLY F CA  1 
ATOM   1128 C C   . GLY F 2 13 ? 60.123 -2.900  14.095 1.00 8.55  ?  12  GLY F C   1 
ATOM   1129 O O   . GLY F 2 13 ? 61.086 -2.358  14.637 1.00 10.49 ?  12  GLY F O   1 
ATOM   1130 N N   . ILE F 2 14 ? 59.220 -2.226  13.390 1.00 11.65 ?  13  ILE F N   1 
ATOM   1131 C CA  . ILE F 2 14 ? 59.294 -0.786  13.169 1.00 11.93 ?  13  ILE F CA  1 
ATOM   1132 C C   . ILE F 2 14 ? 58.863 -0.043  14.429 1.00 8.97  ?  13  ILE F C   1 
ATOM   1133 O O   . ILE F 2 14 ? 58.090 -0.555  15.247 1.00 12.15 ?  13  ILE F O   1 
ATOM   1134 C CB  . ILE F 2 14 ? 58.418 -0.414  11.953 1.00 11.73 ?  13  ILE F CB  1 
ATOM   1135 C CG1 . ILE F 2 14 ? 59.078 -0.834  10.645 1.00 17.03 ?  13  ILE F CG1 1 
ATOM   1136 C CG2 . ILE F 2 14 ? 58.072 1.060   11.895 1.00 24.85 ?  13  ILE F CG2 1 
ATOM   1137 C CD1 . ILE F 2 14 ? 58.089 -0.899  9.517  1.00 25.12 ?  13  ILE F CD1 1 
ATOM   1138 N N   . ARG F 2 15 ? 59.388 1.172   14.602 1.00 10.27 ?  14  ARG F N   1 
ATOM   1139 C CA  . ARG F 2 15 ? 58.886 2.068   15.637 1.00 8.83  ?  14  ARG F CA  1 
ATOM   1140 C C   . ARG F 2 15 ? 57.390 2.307   15.475 1.00 10.97 ?  14  ARG F C   1 
ATOM   1141 O O   . ARG F 2 15 ? 56.884 2.469   14.362 1.00 14.73 ?  14  ARG F O   1 
ATOM   1142 C CB  . ARG F 2 15 ? 59.625 3.406   15.594 1.00 14.32 ?  14  ARG F CB  1 
ATOM   1143 C CG  . ARG F 2 15 ? 59.373 4.269   16.821 1.00 9.61  ?  14  ARG F CG  1 
ATOM   1144 C CD  . ARG F 2 15 ? 60.016 5.643   16.712 1.00 10.78 ?  14  ARG F CD  1 
ATOM   1145 N NE  . ARG F 2 15 ? 59.443 6.437   15.630 1.00 17.95 ?  14  ARG F NE  1 
ATOM   1146 C CZ  . ARG F 2 15 ? 59.362 7.761   15.632 1.00 25.29 ?  14  ARG F CZ  1 
ATOM   1147 N NH1 . ARG F 2 15 ? 59.722 8.475   16.688 1.00 21.66 ?  14  ARG F NH1 1 
ATOM   1148 N NH2 . ARG F 2 15 ? 58.896 8.385   14.554 1.00 26.92 ?  14  ARG F NH2 1 
ATOM   1149 N N   . GLY F 2 16 ? 56.686 2.350   16.599 1.00 10.07 ?  15  GLY F N   1 
ATOM   1150 C CA  . GLY F 2 16 ? 55.255 2.560   16.574 1.00 9.64  ?  15  GLY F CA  1 
ATOM   1151 C C   . GLY F 2 16 ? 54.869 3.956   16.121 1.00 13.74 ?  15  GLY F C   1 
ATOM   1152 O O   . GLY F 2 16 ? 55.697 4.843   15.907 1.00 9.62  ?  15  GLY F O   1 
ATOM   1153 N N   . ASP F 2 17 ? 53.561 4.141   15.968 1.00 10.11 ?  16  ASP F N   1 
ATOM   1154 C CA  . ASP F 2 17 ? 53.016 5.433   15.583 1.00 11.16 ?  16  ASP F CA  1 
ATOM   1155 C C   . ASP F 2 17 ? 53.114 6.422   16.739 1.00 10.54 ?  16  ASP F C   1 
ATOM   1156 O O   . ASP F 2 17 ? 53.111 6.045   17.914 1.00 9.63  ?  16  ASP F O   1 
ATOM   1157 C CB  . ASP F 2 17 ? 51.557 5.284   15.155 1.00 12.12 ?  16  ASP F CB  1 
ATOM   1158 C CG  . ASP F 2 17 ? 51.412 4.863   13.709 1.00 23.47 ?  16  ASP F CG  1 
ATOM   1159 O OD1 . ASP F 2 17 ? 52.352 4.250   13.163 1.00 22.40 ?  16  ASP F OD1 1 
ATOM   1160 O OD2 . ASP F 2 17 ? 50.342 5.135   13.128 1.00 26.21 ?  16  ASP F OD2 1 
ATOM   1161 N N   . LYS F 2 18 ? 53.204 7.702   16.395 1.00 12.43 ?  17  LYS F N   1 
ATOM   1162 C CA  . LYS F 2 18 ? 53.181 8.740   17.414 1.00 10.12 ?  17  LYS F CA  1 
ATOM   1163 C C   . LYS F 2 18 ? 51.779 8.860   17.995 1.00 10.82 ?  17  LYS F C   1 
ATOM   1164 O O   . LYS F 2 18 ? 50.780 8.715   17.284 1.00 10.94 ?  17  LYS F O   1 
ATOM   1165 C CB  . LYS F 2 18 ? 53.628 10.081  16.827 1.00 15.44 ?  17  LYS F CB  1 
ATOM   1166 C CG  . LYS F 2 18 ? 53.794 11.188  17.860 1.00 11.39 ?  17  LYS F CG  1 
ATOM   1167 C CD  . LYS F 2 18 ? 53.437 12.551  17.290 1.00 20.66 ?  17  LYS F CD  1 
ATOM   1168 C CE  . LYS F 2 18 ? 54.520 13.572  17.601 1.00 16.71 ?  17  LYS F CE  1 
ATOM   1169 N NZ  . LYS F 2 18 ? 54.749 13.720  19.064 1.00 15.34 ?  17  LYS F NZ  1 
ATOM   1170 N N   . GLY F 2 19 ? 51.703 9.104   19.299 1.00 10.09 ?  18  GLY F N   1 
ATOM   1171 C CA  . GLY F 2 19 ? 50.420 9.347   19.920 1.00 9.77  ?  18  GLY F CA  1 
ATOM   1172 C C   . GLY F 2 19 ? 49.786 10.629  19.418 1.00 10.34 ?  18  GLY F C   1 
ATOM   1173 O O   . GLY F 2 19 ? 50.455 11.554  18.960 1.00 11.16 ?  18  GLY F O   1 
ATOM   1174 N N   . GLU F 2 20 ? 48.460 10.681  19.493 1.00 16.06 ?  19  GLU F N   1 
ATOM   1175 C CA  . GLU F 2 20 ? 47.758 11.888  19.077 1.00 13.76 ?  19  GLU F CA  1 
ATOM   1176 C C   . GLU F 2 20 ? 47.949 13.007  20.092 1.00 17.63 ?  19  GLU F C   1 
ATOM   1177 O O   . GLU F 2 20 ? 48.304 12.763  21.247 1.00 11.34 ?  19  GLU F O   1 
ATOM   1178 C CB  . GLU F 2 20 ? 46.270 11.613  18.844 1.00 17.61 ?  19  GLU F CB  1 
ATOM   1179 C CG  . GLU F 2 20 ? 45.982 10.343  18.083 1.00 19.35 ?  19  GLU F CG  1 
ATOM   1180 C CD  . GLU F 2 20 ? 44.516 10.196  17.757 1.00 18.86 ?  19  GLU F CD  1 
ATOM   1181 O OE1 . GLU F 2 20 ? 43.695 10.912  18.367 1.00 27.28 ?  19  GLU F OE1 1 
ATOM   1182 O OE2 . GLU F 2 20 ? 44.181 9.367   16.887 1.00 16.94 ?  19  GLU F OE2 1 
HETATM 1183 N N   . HYP F 2 21 ? 47.727 14.239  19.642 1.00 15.46 ?  20  HYP F N   1 
HETATM 1184 C CA  . HYP F 2 21 ? 47.991 15.416  20.483 1.00 12.59 ?  20  HYP F CA  1 
HETATM 1185 C C   . HYP F 2 21 ? 47.123 15.454  21.778 1.00 13.14 ?  20  HYP F C   1 
HETATM 1186 O O   . HYP F 2 21 ? 45.991 14.937  21.798 1.00 17.28 ?  20  HYP F O   1 
HETATM 1187 C CB  . HYP F 2 21 ? 47.742 16.675  19.633 1.00 12.42 ?  20  HYP F CB  1 
HETATM 1188 C CG  . HYP F 2 21 ? 47.842 16.193  18.184 1.00 19.36 ?  20  HYP F CG  1 
HETATM 1189 C CD  . HYP F 2 21 ? 47.272 14.778  18.330 1.00 12.85 ?  20  HYP F CD  1 
HETATM 1190 O OD1 . HYP F 2 21 ? 49.121 16.199  17.642 1.00 22.74 ?  20  HYP F OD1 1 
ATOM   1191 N N   . GLY F 2 22 ? 47.681 16.043  22.827 1.00 11.29 ?  21  GLY F N   1 
ATOM   1192 C CA  . GLY F 2 22 ? 46.922 16.286  24.032 1.00 11.89 ?  21  GLY F CA  1 
ATOM   1193 C C   . GLY F 2 22 ? 45.804 17.254  23.716 1.00 10.89 ?  21  GLY F C   1 
ATOM   1194 O O   . GLY F 2 22 ? 45.906 18.060  22.791 1.00 12.37 ?  21  GLY F O   1 
ATOM   1195 N N   . GLU F 2 23 ? 44.723 17.157  24.472 1.00 11.92 ?  22  GLU F N   1 
ATOM   1196 C CA  . GLU F 2 23 ? 43.591 18.045  24.293 1.00 17.70 ?  22  GLU F CA  1 
ATOM   1197 C C   . GLU F 2 23 ? 43.905 19.438  24.835 1.00 18.24 ?  22  GLU F C   1 
ATOM   1198 O O   . GLU F 2 23 ? 44.719 19.602  25.746 1.00 10.80 ?  22  GLU F O   1 
ATOM   1199 C CB  . GLU F 2 23 ? 42.365 17.409  24.947 1.00 20.33 ?  22  GLU F CB  1 
ATOM   1200 C CG  . GLU F 2 23 ? 42.059 17.829  26.373 1.00 22.97 ?  22  GLU F CG  1 
ATOM   1201 C CD  . GLU F 2 23 ? 40.883 17.057  26.944 1.00 26.01 ?  22  GLU F CD  1 
ATOM   1202 O OE1 . GLU F 2 23 ? 39.739 17.494  26.704 1.00 16.06 ?  22  GLU F OE1 1 
ATOM   1203 O OE2 . GLU F 2 23 ? 41.088 16.002  27.595 1.00 28.76 ?  22  GLU F OE2 1 
ATOM   1204 N N   . LYS F 2 24 ? 43.281 20.450  24.224 1.00 13.59 ?  23  LYS F N   1 
ATOM   1205 C CA  . LYS F 2 24 ? 43.574 21.837  24.562 1.00 9.97  ?  23  LYS F CA  1 
ATOM   1206 C C   . LYS F 2 24 ? 43.280 22.111  26.031 1.00 16.78 ?  23  LYS F C   1 
ATOM   1207 O O   . LYS F 2 24 ? 42.358 21.542  26.620 1.00 10.65 ?  23  LYS F O   1 
ATOM   1208 C CB  . LYS F 2 24 ? 42.756 22.799  23.691 1.00 14.87 ?  23  LYS F CB  1 
ATOM   1209 C CG  . LYS F 2 24 ? 43.262 24.241  23.729 1.00 15.90 ?  23  LYS F CG  1 
ATOM   1210 C CD  . LYS F 2 24 ? 42.978 24.995  22.443 1.00 16.88 ?  23  LYS F CD  1 
ATOM   1211 C CE  . LYS F 2 24 ? 41.613 25.653  22.520 1.00 14.81 ?  23  LYS F CE  1 
ATOM   1212 N NZ  . LYS F 2 24 ? 41.583 27.029  21.949 1.00 18.11 ?  23  LYS F NZ  1 
ATOM   1213 N N   . GLY F 2 25 ? 44.076 23.002  26.617 1.00 9.72  ?  24  GLY F N   1 
ATOM   1214 C CA  . GLY F 2 25 ? 43.935 23.356  28.005 1.00 9.94  ?  24  GLY F CA  1 
ATOM   1215 C C   . GLY F 2 25 ? 42.624 24.054  28.298 1.00 15.89 ?  24  GLY F C   1 
ATOM   1216 O O   . GLY F 2 25 ? 41.928 24.531  27.397 1.00 9.72  ?  24  GLY F O   1 
ATOM   1217 N N   . PRO F 2 26 ? 42.266 24.129  29.576 1.00 15.70 ?  25  PRO F N   1 
ATOM   1218 C CA  . PRO F 2 26 ? 41.004 24.770  29.948 1.00 10.56 ?  25  PRO F CA  1 
ATOM   1219 C C   . PRO F 2 26 ? 41.079 26.284  29.817 1.00 10.57 ?  25  PRO F C   1 
ATOM   1220 O O   . PRO F 2 26 ? 42.151 26.892  29.818 1.00 11.59 ?  25  PRO F O   1 
ATOM   1221 C CB  . PRO F 2 26 ? 40.799 24.342  31.403 1.00 14.10 ?  25  PRO F CB  1 
ATOM   1222 C CG  . PRO F 2 26 ? 42.163 24.014  31.916 1.00 19.55 ?  25  PRO F CG  1 
ATOM   1223 C CD  . PRO F 2 26 ? 43.082 23.767  30.747 1.00 18.07 ?  25  PRO F CD  1 
ATOM   1224 N N   . ARG F 2 27 ? 39.898 26.885  29.690 1.00 12.86 ?  26  ARG F N   1 
ATOM   1225 C CA  . ARG F 2 27 ? 39.788 28.331  29.567 1.00 14.45 ?  26  ARG F CA  1 
ATOM   1226 C C   . ARG F 2 27 ? 40.352 29.021  30.801 1.00 10.03 ?  26  ARG F C   1 
ATOM   1227 O O   . ARG F 2 27 ? 40.226 28.523  31.921 1.00 10.57 ?  26  ARG F O   1 
ATOM   1228 C CB  . ARG F 2 27 ? 38.323 28.719  29.368 1.00 10.18 ?  26  ARG F CB  1 
ATOM   1229 C CG  . ARG F 2 27 ? 38.090 30.106  28.801 1.00 13.74 ?  26  ARG F CG  1 
ATOM   1230 C CD  . ARG F 2 27 ? 36.641 30.496  29.009 1.00 17.52 ?  26  ARG F CD  1 
ATOM   1231 N NE  . ARG F 2 27 ? 35.893 30.427  27.759 1.00 15.11 ?  26  ARG F NE  1 
ATOM   1232 C CZ  . ARG F 2 27 ? 34.589 30.643  27.649 1.00 11.61 ?  26  ARG F CZ  1 
ATOM   1233 N NH1 . ARG F 2 27 ? 33.841 30.914  28.705 1.00 13.90 ?  26  ARG F NH1 1 
ATOM   1234 N NH2 . ARG F 2 27 ? 34.019 30.573  26.449 1.00 14.46 ?  26  ARG F NH2 1 
ATOM   1235 N N   . GLY F 2 28 ? 40.979 30.175  30.590 1.00 9.84  ?  27  GLY F N   1 
ATOM   1236 C CA  . GLY F 2 28 ? 41.526 30.924  31.702 1.00 13.43 ?  27  GLY F CA  1 
ATOM   1237 C C   . GLY F 2 28 ? 40.452 31.383  32.669 1.00 13.75 ?  27  GLY F C   1 
ATOM   1238 O O   . GLY F 2 28 ? 39.261 31.424  32.357 1.00 10.75 ?  27  GLY F O   1 
ATOM   1239 N N   . LEU F 2 29 ? 40.891 31.728  33.874 1.00 15.42 ?  28  LEU F N   1 
ATOM   1240 C CA  . LEU F 2 29 ? 39.976 32.203  34.902 1.00 14.70 ?  28  LEU F CA  1 
ATOM   1241 C C   . LEU F 2 29 ? 39.491 33.613  34.578 1.00 11.83 ?  28  LEU F C   1 
ATOM   1242 O O   . LEU F 2 29 ? 40.152 34.353  33.851 1.00 11.76 ?  28  LEU F O   1 
ATOM   1243 C CB  . LEU F 2 29 ? 40.646 32.159  36.277 1.00 14.83 ?  28  LEU F CB  1 
ATOM   1244 C CG  . LEU F 2 29 ? 40.922 30.748  36.798 1.00 21.38 ?  28  LEU F CG  1 
ATOM   1245 C CD1 . LEU F 2 29 ? 42.125 30.740  37.718 1.00 17.32 ?  28  LEU F CD1 1 
ATOM   1246 C CD2 . LEU F 2 29 ? 39.696 30.186  37.504 1.00 21.20 ?  28  LEU F CD2 1 
HETATM 1247 N N   . HYP F 2 30 ? 38.329 33.976  35.117 1.00 18.32 ?  29  HYP F N   1 
HETATM 1248 C CA  . HYP F 2 30 ? 37.694 35.290  34.805 1.00 12.22 ?  29  HYP F CA  1 
HETATM 1249 C C   . HYP F 2 30 ? 38.503 36.551  35.308 1.00 14.19 ?  29  HYP F C   1 
HETATM 1250 O O   . HYP F 2 30 ? 39.305 36.453  36.255 1.00 17.60 ?  29  HYP F O   1 
HETATM 1251 C CB  . HYP F 2 30 ? 36.286 35.294  35.424 1.00 15.70 ?  29  HYP F CB  1 
HETATM 1252 C CG  . HYP F 2 30 ? 36.249 34.145  36.445 1.00 21.59 ?  29  HYP F CG  1 
HETATM 1253 C CD  . HYP F 2 30 ? 37.343 33.190  35.907 1.00 12.84 ?  29  HYP F CD  1 
HETATM 1254 O OD1 . HYP F 2 30 ? 35.010 33.532  36.613 1.00 32.02 ?  29  HYP F OD1 1 
ATOM   1255 N N   . GLY F 2 31 ? 38.269 37.690  34.664 1.00 15.76 ?  30  GLY F N   1 
ATOM   1256 C CA  . GLY F 2 31 ? 38.900 38.933  35.057 1.00 16.22 ?  30  GLY F CA  1 
ATOM   1257 C C   . GLY F 2 31 ? 37.983 39.768  35.926 1.00 18.37 ?  30  GLY F C   1 
ATOM   1258 O O   . GLY F 2 31 ? 36.764 39.741  35.750 1.00 18.22 ?  30  GLY F O   1 
HETATM 1259 O O   . HOH G 3 .  ? 51.630 -3.112  17.696 1.00 16.08 ?  101 HOH A O   1 
HETATM 1260 O O   . HOH G 3 .  ? 45.893 4.380   13.818 1.00 18.17 ?  102 HOH A O   1 
HETATM 1261 O O   . HOH G 3 .  ? 45.840 -8.307  22.387 1.00 11.58 ?  103 HOH A O   1 
HETATM 1262 O O   . HOH G 3 .  ? 45.131 -30.791 4.615  1.00 27.62 ?  104 HOH A O   1 
HETATM 1263 O O   . HOH G 3 .  ? 55.133 -9.920  12.373 1.00 31.23 ?  105 HOH A O   1 
HETATM 1264 O O   . HOH G 3 .  ? 46.944 -19.560 16.573 1.00 16.50 ?  106 HOH A O   1 
HETATM 1265 O O   . HOH G 3 .  ? 23.318 29.977  30.629 1.00 36.37 ?  107 HOH A O   1 
HETATM 1266 O O   . HOH G 3 .  ? 49.362 -14.039 17.452 1.00 20.22 ?  108 HOH A O   1 
HETATM 1267 O O   . HOH G 3 .  ? 43.054 -26.686 6.407  1.00 16.86 ?  109 HOH A O   1 
HETATM 1268 O O   . HOH G 3 .  ? 53.146 -41.927 -3.506 1.00 32.92 ?  110 HOH A O   1 
HETATM 1269 O O   . HOH G 3 .  ? 49.975 -21.832 12.266 1.00 21.69 ?  111 HOH A O   1 
HETATM 1270 O O   . HOH G 3 .  ? 33.069 17.089  18.107 1.00 19.19 ?  112 HOH A O   1 
HETATM 1271 O O   . HOH G 3 .  ? 39.276 10.217  16.619 1.00 16.12 ?  113 HOH A O   1 
HETATM 1272 O O   . HOH G 3 .  ? 48.687 2.735   16.169 1.00 41.33 ?  114 HOH A O   1 
HETATM 1273 O O   . HOH G 3 .  ? 42.415 -23.015 4.467  1.00 16.05 ?  115 HOH A O   1 
HETATM 1274 O O   . HOH G 3 .  ? 50.967 -31.609 6.793  1.00 21.08 ?  116 HOH A O   1 
HETATM 1275 O O   . HOH G 3 .  ? 46.155 -2.088  20.203 1.00 11.64 ?  117 HOH A O   1 
HETATM 1276 O O   . HOH G 3 .  ? 49.768 -7.890  17.176 1.00 11.98 ?  118 HOH A O   1 
HETATM 1277 O O   . HOH G 3 .  ? 46.751 -32.244 -1.068 1.00 34.13 ?  119 HOH A O   1 
HETATM 1278 O O   . HOH G 3 .  ? 22.968 28.376  27.332 1.00 47.82 ?  120 HOH A O   1 
HETATM 1279 O O   . HOH G 3 .  ? 49.112 -27.473 1.390  1.00 16.81 ?  121 HOH A O   1 
HETATM 1280 O O   . HOH G 3 .  ? 49.628 -17.511 14.949 1.00 14.03 ?  122 HOH A O   1 
HETATM 1281 O O   . HOH G 3 .  ? 45.948 -21.431 11.822 1.00 15.52 ?  123 HOH A O   1 
HETATM 1282 O O   . HOH G 3 .  ? 51.699 -14.687 12.046 1.00 15.01 ?  124 HOH A O   1 
HETATM 1283 O O   . HOH G 3 .  ? 48.967 -11.390 17.174 1.00 13.17 ?  125 HOH A O   1 
HETATM 1284 O O   . HOH G 3 .  ? 40.343 14.736  18.607 1.00 32.59 ?  126 HOH A O   1 
HETATM 1285 O O   . HOH G 3 .  ? 48.017 -5.050  18.928 1.00 27.22 ?  127 HOH A O   1 
HETATM 1286 O O   . HOH G 3 .  ? 46.830 1.475   17.789 1.00 31.09 ?  128 HOH A O   1 
HETATM 1287 O O   . HOH G 3 .  ? 25.477 27.913  22.354 1.00 6.76  ?  129 HOH A O   1 
HETATM 1288 O O   . HOH G 3 .  ? 36.854 16.171  16.527 1.00 10.73 ?  130 HOH A O   1 
HETATM 1289 O O   . HOH G 3 .  ? 32.139 20.732  18.125 1.00 16.48 ?  131 HOH A O   1 
HETATM 1290 O O   . HOH G 3 .  ? 42.936 -7.927  18.266 1.00 8.44  ?  132 HOH A O   1 
HETATM 1291 O O   . HOH G 3 .  ? 46.587 -28.247 8.769  1.00 17.71 ?  133 HOH A O   1 
HETATM 1292 O O   . HOH G 3 .  ? 50.862 -13.753 14.341 1.00 30.69 ?  134 HOH A O   1 
HETATM 1293 O O   . HOH G 3 .  ? 40.805 13.667  21.272 1.00 20.07 ?  135 HOH A O   1 
HETATM 1294 O O   . HOH G 3 .  ? 47.343 -33.975 4.729  1.00 27.44 ?  136 HOH A O   1 
HETATM 1295 O O   . HOH G 3 .  ? 49.461 -28.611 12.153 1.00 15.55 ?  137 HOH A O   1 
HETATM 1296 O O   . HOH G 3 .  ? 50.122 -39.699 -1.034 1.00 30.78 ?  138 HOH A O   1 
HETATM 1297 O O   . HOH G 3 .  ? 50.561 -5.512  16.223 1.00 15.89 ?  139 HOH A O   1 
HETATM 1298 O O   . HOH G 3 .  ? 47.503 -27.200 10.932 1.00 22.00 ?  140 HOH A O   1 
HETATM 1299 O O   . HOH G 3 .  ? 51.674 -39.410 2.725  1.00 27.31 ?  141 HOH A O   1 
HETATM 1300 O O   . HOH G 3 .  ? 54.067 -40.870 -5.072 1.00 37.60 ?  142 HOH A O   1 
HETATM 1301 O O   . HOH G 3 .  ? 56.528 -29.413 10.781 1.00 16.55 ?  143 HOH A O   1 
HETATM 1302 O O   . HOH G 3 .  ? 44.510 2.424   15.250 1.00 21.68 ?  144 HOH A O   1 
HETATM 1303 O O   . HOH G 3 .  ? 54.303 -11.907 14.163 1.00 25.04 ?  145 HOH A O   1 
HETATM 1304 O O   . HOH G 3 .  ? 29.040 27.171  21.367 1.00 9.78  ?  146 HOH A O   1 
HETATM 1305 O O   . HOH G 3 .  ? 23.049 28.332  23.827 1.00 12.61 ?  147 HOH A O   1 
HETATM 1306 O O   . HOH G 3 .  ? 47.057 0.313   20.186 1.00 8.28  ?  148 HOH A O   1 
HETATM 1307 O O   . HOH G 3 .  ? 48.141 -39.155 6.187  1.00 28.80 ?  149 HOH A O   1 
HETATM 1308 O O   . HOH G 3 .  ? 33.912 16.030  15.963 1.00 23.68 ?  150 HOH A O   1 
HETATM 1309 O O   . HOH G 3 .  ? 54.964 -19.105 14.036 1.00 33.93 ?  151 HOH A O   1 
HETATM 1310 O O   . HOH G 3 .  ? 22.480 26.877  29.511 1.00 29.20 ?  152 HOH A O   1 
HETATM 1311 O O   . HOH G 3 .  ? 44.090 -27.759 8.795  1.00 24.04 ?  153 HOH A O   1 
HETATM 1312 O O   . HOH G 3 .  ? 43.211 -23.749 1.681  1.00 35.24 ?  154 HOH A O   1 
HETATM 1313 O O   . HOH G 3 .  ? 48.941 -28.617 -3.325 1.00 43.30 ?  155 HOH A O   1 
HETATM 1314 O O   . HOH H 3 .  ? 42.218 -17.846 13.309 1.00 20.85 ?  101 HOH B O   1 
HETATM 1315 O O   . HOH H 3 .  ? 41.232 14.316  23.468 1.00 31.27 ?  102 HOH B O   1 
HETATM 1316 O O   . HOH H 3 .  ? 44.951 -14.117 4.477  1.00 23.16 ?  103 HOH B O   1 
HETATM 1317 O O   . HOH H 3 .  ? 37.401 -5.055  9.974  1.00 24.52 ?  104 HOH B O   1 
HETATM 1318 O O   . HOH H 3 .  ? 55.397 -27.727 -1.686 1.00 24.72 ?  105 HOH B O   1 
HETATM 1319 O O   . HOH H 3 .  ? 42.620 -16.320 5.823  1.00 28.51 ?  106 HOH B O   1 
HETATM 1320 O O   . HOH H 3 .  ? 39.197 10.861  25.775 1.00 15.71 ?  107 HOH B O   1 
HETATM 1321 O O   . HOH H 3 .  ? 40.412 -6.776  18.279 1.00 11.66 ?  108 HOH B O   1 
HETATM 1322 O O   . HOH H 3 .  ? 38.805 -8.923  16.461 1.00 16.02 ?  109 HOH B O   1 
HETATM 1323 O O   . HOH H 3 .  ? 32.683 27.034  23.603 1.00 8.86  ?  110 HOH B O   1 
HETATM 1324 O O   . HOH H 3 .  ? 37.862 20.849  25.873 1.00 31.20 ?  111 HOH B O   1 
HETATM 1325 O O   . HOH H 3 .  ? 44.250 -20.190 6.153  1.00 12.82 ?  112 HOH B O   1 
HETATM 1326 O O   . HOH H 3 .  ? 43.532 -14.193 12.922 1.00 15.24 ?  113 HOH B O   1 
HETATM 1327 O O   . HOH H 3 .  ? 36.859 4.036   24.979 1.00 29.68 ?  114 HOH B O   1 
HETATM 1328 O O   . HOH H 3 .  ? 37.205 24.297  27.254 1.00 10.12 ?  115 HOH B O   1 
HETATM 1329 O O   . HOH H 3 .  ? 34.671 11.714  27.337 1.00 21.70 ?  116 HOH B O   1 
HETATM 1330 O O   . HOH H 3 .  ? 54.677 -34.297 -2.069 1.00 21.62 ?  117 HOH B O   1 
HETATM 1331 O O   . HOH H 3 .  ? 39.521 22.362  21.349 1.00 6.88  ?  118 HOH B O   1 
HETATM 1332 O O   . HOH H 3 .  ? 44.721 -20.609 2.238  1.00 19.69 ?  119 HOH B O   1 
HETATM 1333 O O   . HOH H 3 .  ? 49.385 -15.786 4.059  1.00 31.13 ?  120 HOH B O   1 
HETATM 1334 O O   . HOH H 3 .  ? 38.467 -9.993  12.568 1.00 24.45 ?  121 HOH B O   1 
HETATM 1335 O O   . HOH H 3 .  ? 36.825 -7.020  17.204 1.00 25.35 ?  122 HOH B O   1 
HETATM 1336 O O   . HOH H 3 .  ? 39.958 2.161   23.480 1.00 30.74 ?  123 HOH B O   1 
HETATM 1337 O O   . HOH H 3 .  ? 51.203 -26.606 -2.326 1.00 29.22 ?  124 HOH B O   1 
HETATM 1338 O O   . HOH H 3 .  ? 43.465 -26.946 1.458  1.00 27.22 ?  125 HOH B O   1 
HETATM 1339 O O   . HOH H 3 .  ? 40.477 -13.116 12.680 1.00 24.74 ?  126 HOH B O   1 
HETATM 1340 O O   . HOH H 3 .  ? 35.063 3.690   17.717 1.00 10.12 ?  127 HOH B O   1 
HETATM 1341 O O   . HOH H 3 .  ? 38.133 6.702   26.645 1.00 23.27 ?  128 HOH B O   1 
HETATM 1342 O O   . HOH H 3 .  ? 36.551 19.220  16.215 1.00 6.44  ?  129 HOH B O   1 
HETATM 1343 O O   . HOH H 3 .  ? 38.082 -1.347  22.751 1.00 18.98 ?  130 HOH B O   1 
HETATM 1344 O O   . HOH H 3 .  ? 42.498 -17.839 0.541  1.00 26.18 ?  131 HOH B O   1 
HETATM 1345 O O   . HOH H 3 .  ? 38.484 -2.721  12.386 1.00 10.05 ?  132 HOH B O   1 
HETATM 1346 O O   . HOH H 3 .  ? 55.405 -30.457 -2.872 1.00 25.25 ?  133 HOH B O   1 
HETATM 1347 O O   . HOH H 3 .  ? 40.301 -16.506 6.675  1.00 30.00 ?  134 HOH B O   1 
HETATM 1348 O O   . HOH H 3 .  ? 37.627 26.790  26.244 1.00 13.08 ?  135 HOH B O   1 
HETATM 1349 O O   . HOH H 3 .  ? 40.377 8.372   26.090 1.00 18.91 ?  136 HOH B O   1 
HETATM 1350 O O   . HOH H 3 .  ? 42.249 -15.117 15.118 1.00 19.21 ?  137 HOH B O   1 
HETATM 1351 O O   . HOH H 3 .  ? 33.159 19.368  15.960 1.00 15.07 ?  138 HOH B O   1 
HETATM 1352 O O   . HOH H 3 .  ? 43.771 -9.839  23.704 1.00 6.43  ?  139 HOH B O   1 
HETATM 1353 O O   . HOH H 3 .  ? 46.276 2.681   21.408 1.00 13.66 ?  140 HOH B O   1 
HETATM 1354 O O   . HOH H 3 .  ? 39.521 -18.400 13.923 1.00 27.59 ?  141 HOH B O   1 
HETATM 1355 O O   . HOH H 3 .  ? 41.660 18.158  20.493 1.00 30.15 ?  142 HOH B O   1 
HETATM 1356 O O   . HOH H 3 .  ? 49.668 -15.805 1.080  1.00 45.55 ?  143 HOH B O   1 
HETATM 1357 O O   . HOH H 3 .  ? 51.085 -28.857 -5.057 1.00 30.51 ?  144 HOH B O   1 
HETATM 1358 O O   . HOH H 3 .  ? 39.874 6.648   28.083 1.00 30.78 ?  145 HOH B O   1 
HETATM 1359 O O   . HOH H 3 .  ? 40.101 6.670   30.761 1.00 41.63 ?  146 HOH B O   1 
HETATM 1360 O O   . HOH I 3 .  ? 48.103 -5.498  13.329 1.00 29.70 ?  101 HOH C O   1 
HETATM 1361 O O   . HOH I 3 .  ? 41.899 2.277   9.819  1.00 14.92 ?  102 HOH C O   1 
HETATM 1362 O O   . HOH I 3 .  ? 57.442 -24.871 6.717  1.00 35.46 ?  103 HOH C O   1 
HETATM 1363 O O   . HOH I 3 .  ? 35.550 -3.512  13.349 1.00 20.06 ?  104 HOH C O   1 
HETATM 1364 O O   . HOH I 3 .  ? 57.555 -31.263 3.950  1.00 15.82 ?  105 HOH C O   1 
HETATM 1365 O O   . HOH I 3 .  ? 53.653 -7.653  11.205 1.00 29.06 ?  106 HOH C O   1 
HETATM 1366 O O   . HOH I 3 .  ? 27.970 40.017  32.473 1.00 29.51 ?  107 HOH C O   1 
HETATM 1367 O O   . HOH I 3 .  ? 61.349 -32.675 6.718  1.00 32.41 ?  108 HOH C O   1 
HETATM 1368 O O   . HOH I 3 .  ? 39.040 3.075   11.345 1.00 31.42 ?  109 HOH C O   1 
HETATM 1369 O O   . HOH I 3 .  ? 52.535 -5.236  13.596 1.00 20.55 ?  110 HOH C O   1 
HETATM 1370 O O   . HOH I 3 .  ? 39.165 -0.662  11.302 1.00 22.11 ?  111 HOH C O   1 
HETATM 1371 O O   . HOH I 3 .  ? 54.511 -9.645  7.191  1.00 41.12 ?  112 HOH C O   1 
HETATM 1372 O O   . HOH I 3 .  ? 28.657 16.234  28.216 1.00 25.61 ?  113 HOH C O   1 
HETATM 1373 O O   . HOH I 3 .  ? 51.366 -21.817 -1.568 1.00 25.99 ?  114 HOH C O   1 
HETATM 1374 O O   . HOH I 3 .  ? 54.010 -15.118 5.221  1.00 18.82 ?  115 HOH C O   1 
HETATM 1375 O O   . HOH I 3 .  ? 50.598 -9.325  6.950  1.00 17.36 ?  116 HOH C O   1 
HETATM 1376 O O   . HOH I 3 .  ? 30.774 19.095  30.174 1.00 19.44 ?  117 HOH C O   1 
HETATM 1377 O O   . HOH I 3 .  ? 35.830 4.581   12.640 1.00 24.84 ?  118 HOH C O   1 
HETATM 1378 O O   . HOH I 3 .  ? 55.182 -42.877 4.328  1.00 29.73 ?  119 HOH C O   1 
HETATM 1379 O O   . HOH I 3 .  ? 55.667 -18.200 7.159  1.00 29.61 ?  120 HOH C O   1 
HETATM 1380 O O   . HOH I 3 .  ? 43.904 -8.593  8.180  1.00 7.08  ?  121 HOH C O   1 
HETATM 1381 O O   . HOH I 3 .  ? 31.590 28.859  32.470 1.00 16.74 ?  122 HOH C O   1 
HETATM 1382 O O   . HOH I 3 .  ? 45.602 4.568   10.660 1.00 15.32 ?  123 HOH C O   1 
HETATM 1383 O O   . HOH I 3 .  ? 26.474 21.241  28.437 1.00 22.22 ?  124 HOH C O   1 
HETATM 1384 O O   . HOH I 3 .  ? 57.049 -26.941 8.232  1.00 46.13 ?  125 HOH C O   1 
HETATM 1385 O O   . HOH I 3 .  ? 55.467 -21.472 4.275  1.00 22.30 ?  126 HOH C O   1 
HETATM 1386 O O   . HOH I 3 .  ? 29.960 24.608  33.478 1.00 13.13 ?  127 HOH C O   1 
HETATM 1387 O O   . HOH I 3 .  ? 27.677 33.970  34.882 1.00 39.60 ?  128 HOH C O   1 
HETATM 1388 O O   . HOH I 3 .  ? 37.773 18.105  31.071 1.00 39.07 ?  129 HOH C O   1 
HETATM 1389 O O   . HOH I 3 .  ? 57.355 -29.374 7.384  1.00 19.12 ?  130 HOH C O   1 
HETATM 1390 O O   . HOH I 3 .  ? 41.339 -0.511  9.276  1.00 13.35 ?  131 HOH C O   1 
HETATM 1391 O O   . HOH I 3 .  ? 37.221 -8.751  10.766 1.00 34.20 ?  132 HOH C O   1 
HETATM 1392 O O   . HOH I 3 .  ? 29.827 38.458  29.196 1.00 25.58 ?  133 HOH C O   1 
HETATM 1393 O O   . HOH I 3 .  ? 34.332 10.387  15.233 1.00 18.11 ?  134 HOH C O   1 
HETATM 1394 O O   . HOH I 3 .  ? 33.292 19.227  32.403 1.00 35.91 ?  135 HOH C O   1 
HETATM 1395 O O   . HOH I 3 .  ? 31.742 38.890  33.094 1.00 33.06 ?  136 HOH C O   1 
HETATM 1396 O O   . HOH I 3 .  ? 32.998 2.981   15.535 1.00 5.32  ?  137 HOH C O   1 
HETATM 1397 O O   . HOH I 3 .  ? 61.182 -25.116 1.449  1.00 37.16 ?  138 HOH C O   1 
HETATM 1398 O O   . HOH I 3 .  ? 32.102 26.366  33.359 1.00 29.01 ?  139 HOH C O   1 
HETATM 1399 O O   . HOH I 3 .  ? 33.895 6.173   13.377 1.00 25.25 ?  140 HOH C O   1 
HETATM 1400 O O   . HOH I 3 .  ? 57.949 -31.618 8.498  1.00 52.37 ?  141 HOH C O   1 
HETATM 1401 O O   . HOH I 3 .  ? 26.705 18.421  29.461 1.00 25.23 ?  142 HOH C O   1 
HETATM 1402 O O   . HOH I 3 .  ? 24.483 22.108  30.487 1.00 26.20 ?  143 HOH C O   1 
HETATM 1403 O O   . HOH I 3 .  ? 38.288 5.531   10.307 1.00 30.33 ?  144 HOH C O   1 
HETATM 1404 O O   . HOH I 3 .  ? 30.999 20.036  32.289 1.00 37.73 ?  145 HOH C O   1 
HETATM 1405 O O   . HOH I 3 .  ? 55.561 -20.097 1.745  1.00 29.28 ?  146 HOH C O   1 
HETATM 1406 O O   . HOH J 3 .  ? 34.548 41.802  32.953 1.00 51.86 ?  101 HOH D O   1 
HETATM 1407 O O   . HOH J 3 .  ? 58.801 9.795   23.036 1.00 19.46 ?  102 HOH D O   1 
HETATM 1408 O O   . HOH J 3 .  ? 49.582 21.207  20.708 1.00 9.41  ?  103 HOH D O   1 
HETATM 1409 O O   . HOH J 3 .  ? 54.574 18.749  28.142 1.00 25.78 ?  104 HOH D O   1 
HETATM 1410 O O   . HOH J 3 .  ? 57.287 -12.085 6.084  1.00 29.43 ?  105 HOH D O   1 
HETATM 1411 O O   . HOH J 3 .  ? 57.159 19.186  19.273 1.00 11.79 ?  106 HOH D O   1 
HETATM 1412 O O   . HOH J 3 .  ? 57.782 -4.487  22.865 1.00 9.36  ?  107 HOH D O   1 
HETATM 1413 O O   . HOH J 3 .  ? 48.054 27.834  20.384 1.00 13.43 ?  108 HOH D O   1 
HETATM 1414 O O   . HOH J 3 .  ? 48.144 30.893  24.204 1.00 20.14 ?  109 HOH D O   1 
HETATM 1415 O O   . HOH J 3 .  ? 45.525 28.056  22.087 1.00 16.98 ?  110 HOH D O   1 
HETATM 1416 O O   . HOH J 3 .  ? 52.615 21.337  22.270 1.00 13.91 ?  111 HOH D O   1 
HETATM 1417 O O   . HOH J 3 .  ? 51.111 27.945  27.261 1.00 36.26 ?  112 HOH D O   1 
HETATM 1418 O O   . HOH J 3 .  ? 37.658 29.544  21.314 1.00 7.73  ?  113 HOH D O   1 
HETATM 1419 O O   . HOH J 3 .  ? 52.752 15.413  25.604 1.00 14.73 ?  114 HOH D O   1 
HETATM 1420 O O   . HOH J 3 .  ? 57.202 -9.954  16.851 1.00 11.73 ?  115 HOH D O   1 
HETATM 1421 O O   . HOH J 3 .  ? 55.299 6.693   23.927 1.00 7.12  ?  116 HOH D O   1 
HETATM 1422 O O   . HOH J 3 .  ? 60.177 6.117   19.915 1.00 14.28 ?  117 HOH D O   1 
HETATM 1423 O O   . HOH J 3 .  ? 40.823 38.426  28.741 1.00 17.78 ?  118 HOH D O   1 
HETATM 1424 O O   . HOH J 3 .  ? 49.590 26.799  23.020 1.00 9.11  ?  119 HOH D O   1 
HETATM 1425 O O   . HOH J 3 .  ? 61.707 -23.437 4.590  1.00 19.82 ?  120 HOH D O   1 
HETATM 1426 O O   . HOH J 3 .  ? 58.330 -16.264 15.770 1.00 23.08 ?  121 HOH D O   1 
HETATM 1427 O O   . HOH J 3 .  ? 37.035 33.116  32.045 1.00 10.44 ?  122 HOH D O   1 
HETATM 1428 O O   . HOH J 3 .  ? 45.499 30.446  23.997 1.00 21.99 ?  123 HOH D O   1 
HETATM 1429 O O   . HOH J 3 .  ? 56.416 7.284   26.060 1.00 11.37 ?  124 HOH D O   1 
HETATM 1430 O O   . HOH J 3 .  ? 52.067 23.847  22.050 1.00 13.90 ?  125 HOH D O   1 
HETATM 1431 O O   . HOH J 3 .  ? 56.503 7.576   16.736 1.00 12.55 ?  126 HOH D O   1 
HETATM 1432 O O   . HOH J 3 .  ? 61.685 -27.627 7.003  1.00 33.13 ?  127 HOH D O   1 
HETATM 1433 O O   . HOH J 3 .  ? 40.475 26.645  26.115 1.00 13.47 ?  128 HOH D O   1 
HETATM 1434 O O   . HOH J 3 .  ? 53.420 20.767  19.518 1.00 6.69  ?  129 HOH D O   1 
HETATM 1435 O O   . HOH J 3 .  ? 51.416 23.900  25.057 1.00 6.94  ?  130 HOH D O   1 
HETATM 1436 O O   . HOH J 3 .  ? 43.522 29.978  22.039 1.00 19.23 ?  131 HOH D O   1 
HETATM 1437 O O   . HOH J 3 .  ? 60.346 8.823   20.414 1.00 14.81 ?  132 HOH D O   1 
HETATM 1438 O O   . HOH J 3 .  ? 54.764 18.502  23.164 1.00 13.61 ?  133 HOH D O   1 
HETATM 1439 O O   . HOH J 3 .  ? 59.553 -13.491 18.313 1.00 30.47 ?  134 HOH D O   1 
HETATM 1440 O O   . HOH J 3 .  ? 58.726 -22.841 7.951  1.00 26.55 ?  135 HOH D O   1 
HETATM 1441 O O   . HOH J 3 .  ? 42.483 33.046  23.645 1.00 19.72 ?  136 HOH D O   1 
HETATM 1442 O O   . HOH J 3 .  ? 57.991 -17.866 11.117 1.00 29.16 ?  137 HOH D O   1 
HETATM 1443 O O   . HOH J 3 .  ? 50.000 33.415  25.772 1.00 24.07 ?  138 HOH D O   1 
HETATM 1444 O O   . HOH J 3 .  ? 63.386 -28.710 0.832  1.00 18.63 ?  139 HOH D O   1 
HETATM 1445 O O   . HOH J 3 .  ? 63.604 -13.059 17.691 1.00 32.31 ?  140 HOH D O   1 
HETATM 1446 O O   . HOH J 3 .  ? 52.072 30.759  27.000 1.00 24.00 ?  141 HOH D O   1 
HETATM 1447 O O   . HOH J 3 .  ? 61.742 -28.332 3.428  1.00 26.07 ?  142 HOH D O   1 
HETATM 1448 O O   . HOH J 3 .  ? 39.973 39.876  26.194 1.00 24.87 ?  143 HOH D O   1 
HETATM 1449 O O   . HOH J 3 .  ? 58.093 -20.605 10.982 1.00 24.09 ?  144 HOH D O   1 
HETATM 1450 O O   . HOH J 3 .  ? 40.752 41.671  36.315 1.00 31.02 ?  145 HOH D O   1 
HETATM 1451 O O   . HOH J 3 .  ? 54.826 21.109  26.628 1.00 22.97 ?  146 HOH D O   1 
HETATM 1452 O O   . HOH J 3 .  ? 55.804 -16.536 3.790  1.00 31.11 ?  147 HOH D O   1 
HETATM 1453 O O   . HOH J 3 .  ? 58.870 -10.606 5.062  1.00 32.72 ?  148 HOH D O   1 
HETATM 1454 O O   . HOH J 3 .  ? 57.804 -7.363  23.569 1.00 12.01 ?  149 HOH D O   1 
HETATM 1455 O O   . HOH J 3 .  ? 56.155 -17.450 10.014 1.00 24.30 ?  150 HOH D O   1 
HETATM 1456 O O   . HOH J 3 .  ? 51.550 26.416  24.813 1.00 13.45 ?  151 HOH D O   1 
HETATM 1457 O O   . HOH J 3 .  ? 51.004 20.162  18.509 1.00 11.87 ?  152 HOH D O   1 
HETATM 1458 O O   . HOH J 3 .  ? 53.068 19.310  30.085 1.00 30.41 ?  153 HOH D O   1 
HETATM 1459 O O   . HOH J 3 .  ? 47.025 20.671  19.384 1.00 20.19 ?  154 HOH D O   1 
HETATM 1460 O O   . HOH J 3 .  ? 52.076 30.450  24.176 1.00 11.81 ?  155 HOH D O   1 
HETATM 1461 O O   . HOH J 3 .  ? 53.363 22.750  26.261 1.00 28.08 ?  156 HOH D O   1 
HETATM 1462 O O   . HOH J 3 .  ? 37.279 45.860  37.142 1.00 38.55 ?  157 HOH D O   1 
HETATM 1463 O O   . HOH J 3 .  ? 57.451 -23.379 9.787  1.00 32.20 ?  158 HOH D O   1 
HETATM 1464 O O   . HOH J 3 .  ? 56.638 -18.734 3.494  1.00 27.60 ?  159 HOH D O   1 
HETATM 1465 O O   . HOH J 3 .  ? 59.305 -19.856 4.334  1.00 27.63 ?  160 HOH D O   1 
HETATM 1466 O O   . HOH J 3 .  ? 32.107 41.157  34.724 1.00 24.34 ?  161 HOH D O   1 
HETATM 1467 O O   . HOH J 3 .  ? 62.075 -22.434 1.707  1.00 36.03 ?  162 HOH D O   1 
HETATM 1468 O O   . HOH K 3 .  ? 45.920 7.129   22.741 1.00 50.66 ?  101 HOH E O   1 
HETATM 1469 O O   . HOH K 3 .  ? 53.730 12.427  31.593 1.00 22.46 ?  102 HOH E O   1 
HETATM 1470 O O   . HOH K 3 .  ? 45.763 7.231   16.296 1.00 28.54 ?  103 HOH E O   1 
HETATM 1471 O O   . HOH K 3 .  ? 50.742 9.072   30.234 1.00 29.31 ?  104 HOH E O   1 
HETATM 1472 O O   . HOH K 3 .  ? 49.742 11.497  30.855 1.00 37.00 ?  105 HOH E O   1 
HETATM 1473 O O   . HOH K 3 .  ? 44.254 8.459   23.893 1.00 21.24 ?  106 HOH E O   1 
HETATM 1474 O O   . HOH K 3 .  ? 44.584 34.308  38.158 1.00 37.89 ?  107 HOH E O   1 
HETATM 1475 O O   . HOH K 3 .  ? 46.219 21.720  32.183 1.00 22.29 ?  108 HOH E O   1 
HETATM 1476 O O   . HOH K 3 .  ? 66.730 -21.153 2.706  1.00 18.91 ?  109 HOH E O   1 
HETATM 1477 O O   . HOH K 3 .  ? 54.776 -3.773  24.296 1.00 6.46  ?  110 HOH E O   1 
HETATM 1478 O O   . HOH K 3 .  ? 55.675 -0.323  24.817 1.00 8.13  ?  111 HOH E O   1 
HETATM 1479 O O   . HOH K 3 .  ? 48.966 19.130  31.590 1.00 20.74 ?  112 HOH E O   1 
HETATM 1480 O O   . HOH K 3 .  ? 57.077 -4.038  12.221 1.00 11.44 ?  113 HOH E O   1 
HETATM 1481 O O   . HOH K 3 .  ? 47.506 24.448  33.333 1.00 30.05 ?  114 HOH E O   1 
HETATM 1482 O O   . HOH K 3 .  ? 43.788 31.191  34.267 1.00 17.76 ?  115 HOH E O   1 
HETATM 1483 O O   . HOH K 3 .  ? 50.568 -2.731  20.339 1.00 9.12  ?  116 HOH E O   1 
HETATM 1484 O O   . HOH K 3 .  ? 63.291 -11.888 6.624  1.00 25.72 ?  117 HOH E O   1 
HETATM 1485 O O   . HOH K 3 .  ? 45.593 32.042  27.358 1.00 10.81 ?  118 HOH E O   1 
HETATM 1486 O O   . HOH K 3 .  ? 47.897 7.185   22.023 1.00 25.57 ?  119 HOH E O   1 
HETATM 1487 O O   . HOH K 3 .  ? 59.157 -2.360  7.370  1.00 32.49 ?  120 HOH E O   1 
HETATM 1488 O O   . HOH K 3 .  ? 69.843 -21.073 2.479  1.00 30.02 ?  121 HOH E O   1 
HETATM 1489 O O   . HOH K 3 .  ? 54.378 1.471   13.395 1.00 26.10 ?  122 HOH E O   1 
HETATM 1490 O O   . HOH K 3 .  ? 69.065 -17.944 5.350  1.00 17.09 ?  123 HOH E O   1 
HETATM 1491 O O   . HOH K 3 .  ? 49.753 -0.138  19.734 1.00 16.65 ?  124 HOH E O   1 
HETATM 1492 O O   . HOH K 3 .  ? 50.059 3.938   24.038 1.00 8.90  ?  125 HOH E O   1 
HETATM 1493 O O   . HOH K 3 .  ? 47.477 15.720  30.991 1.00 27.15 ?  126 HOH E O   1 
HETATM 1494 O O   . HOH K 3 .  ? 65.510 -15.784 3.601  1.00 21.97 ?  127 HOH E O   1 
HETATM 1495 O O   . HOH K 3 .  ? 56.031 -7.046  10.574 1.00 25.48 ?  128 HOH E O   1 
HETATM 1496 O O   . HOH K 3 .  ? 46.822 12.729  28.507 1.00 28.83 ?  129 HOH E O   1 
HETATM 1497 O O   . HOH K 3 .  ? 45.853 38.656  32.907 1.00 35.14 ?  130 HOH E O   1 
HETATM 1498 O O   . HOH K 3 .  ? 58.519 -9.572  7.091  1.00 20.21 ?  131 HOH E O   1 
HETATM 1499 O O   . HOH K 3 .  ? 72.310 -22.230 13.357 1.00 17.46 ?  132 HOH E O   1 
HETATM 1500 O O   . HOH K 3 .  ? 47.031 29.381  33.916 1.00 20.98 ?  133 HOH E O   1 
HETATM 1501 O O   . HOH K 3 .  ? 73.916 -19.907 13.436 1.00 31.48 ?  134 HOH E O   1 
HETATM 1502 O O   . HOH K 3 .  ? 45.314 10.053  22.338 1.00 30.39 ?  135 HOH E O   1 
HETATM 1503 O O   . HOH K 3 .  ? 36.577 25.512  32.077 1.00 37.86 ?  136 HOH E O   1 
HETATM 1504 O O   . HOH K 3 .  ? 45.434 29.882  35.980 1.00 22.61 ?  137 HOH E O   1 
HETATM 1505 O O   . HOH K 3 .  ? 72.965 -20.647 4.193  1.00 32.45 ?  138 HOH E O   1 
HETATM 1506 O O   . HOH K 3 .  ? 70.838 -18.616 3.787  1.00 25.94 ?  139 HOH E O   1 
HETATM 1507 O O   . HOH K 3 .  ? 64.223 -21.301 1.453  1.00 18.82 ?  140 HOH E O   1 
HETATM 1508 O O   . HOH K 3 .  ? 67.382 -18.010 2.350  1.00 24.78 ?  141 HOH E O   1 
HETATM 1509 O O   . HOH K 3 .  ? 73.508 -37.869 6.744  1.00 38.62 ?  142 HOH E O   1 
HETATM 1510 O O   . HOH K 3 .  ? 46.893 17.992  33.237 1.00 35.58 ?  143 HOH E O   1 
HETATM 1511 O O   . HOH K 3 .  ? 48.287 38.357  31.524 1.00 34.27 ?  144 HOH E O   1 
HETATM 1512 O O   . HOH K 3 .  ? 71.686 -22.307 0.572  1.00 24.36 ?  145 HOH E O   1 
HETATM 1513 O O   . HOH K 3 .  ? 47.562 38.195  28.718 1.00 27.83 ?  146 HOH E O   1 
HETATM 1514 O O   . HOH K 3 .  ? 53.046 24.036  29.777 1.00 28.65 ?  147 HOH E O   1 
HETATM 1515 O O   . HOH K 3 .  ? 60.197 -20.466 1.516  1.00 26.73 ?  148 HOH E O   1 
HETATM 1516 O O   . HOH L 3 .  ? 69.556 -35.789 4.266  1.00 31.67 ?  101 HOH F O   1 
HETATM 1517 O O   . HOH L 3 .  ? 61.849 8.296   16.977 1.00 23.91 ?  102 HOH F O   1 
HETATM 1518 O O   . HOH L 3 .  ? 59.620 -20.321 13.161 1.00 21.47 ?  103 HOH F O   1 
HETATM 1519 O O   . HOH L 3 .  ? 48.423 5.328   14.246 1.00 18.67 ?  104 HOH F O   1 
HETATM 1520 O O   . HOH L 3 .  ? 41.779 10.733  17.155 1.00 50.47 ?  105 HOH F O   1 
HETATM 1521 O O   . HOH L 3 .  ? 56.991 9.749   14.812 1.00 22.96 ?  106 HOH F O   1 
HETATM 1522 O O   . HOH L 3 .  ? 58.238 6.978   12.773 1.00 23.29 ?  107 HOH F O   1 
HETATM 1523 O O   . HOH L 3 .  ? 66.125 -11.770 16.815 1.00 23.67 ?  108 HOH F O   1 
HETATM 1524 O O   . HOH L 3 .  ? 42.706 13.128  19.067 1.00 28.70 ?  109 HOH F O   1 
HETATM 1525 O O   . HOH L 3 .  ? 49.943 18.327  16.523 1.00 16.04 ?  110 HOH F O   1 
HETATM 1526 O O   . HOH L 3 .  ? 43.040 14.526  26.753 1.00 39.29 ?  111 HOH F O   1 
HETATM 1527 O O   . HOH L 3 .  ? 50.885 14.122  18.738 1.00 8.09  ?  112 HOH F O   1 
HETATM 1528 O O   . HOH L 3 .  ? 39.200 19.145  28.661 1.00 25.11 ?  113 HOH F O   1 
HETATM 1529 O O   . HOH L 3 .  ? 68.788 -12.289 11.188 1.00 22.38 ?  114 HOH F O   1 
HETATM 1530 O O   . HOH L 3 .  ? 66.177 -9.125  14.928 1.00 18.88 ?  115 HOH F O   1 
HETATM 1531 O O   . HOH L 3 .  ? 41.967 36.998  36.200 1.00 22.91 ?  116 HOH F O   1 
HETATM 1532 O O   . HOH L 3 .  ? 66.181 -19.651 14.370 1.00 28.24 ?  117 HOH F O   1 
HETATM 1533 O O   . HOH L 3 .  ? 68.798 -22.641 13.441 1.00 26.57 ?  118 HOH F O   1 
HETATM 1534 O O   . HOH L 3 .  ? 69.891 -19.377 11.223 1.00 15.04 ?  119 HOH F O   1 
HETATM 1535 O O   . HOH L 3 .  ? 37.663 29.409  33.439 1.00 33.48 ?  120 HOH F O   1 
HETATM 1536 O O   . HOH L 3 .  ? 66.531 -11.061 9.391  1.00 16.02 ?  121 HOH F O   1 
HETATM 1537 O O   . HOH L 3 .  ? 57.057 4.798   12.821 1.00 26.89 ?  122 HOH F O   1 
HETATM 1538 O O   . HOH L 3 .  ? 68.811 -15.868 14.202 1.00 16.32 ?  123 HOH F O   1 
HETATM 1539 O O   . HOH L 3 .  ? 33.953 30.577  31.523 1.00 38.37 ?  124 HOH F O   1 
HETATM 1540 O O   . HOH L 3 .  ? 51.947 1.783   16.117 1.00 12.51 ?  125 HOH F O   1 
HETATM 1541 O O   . HOH L 3 .  ? 41.021 19.888  22.505 1.00 15.65 ?  126 HOH F O   1 
HETATM 1542 O O   . HOH L 3 .  ? 54.720 4.478   11.510 1.00 21.85 ?  127 HOH F O   1 
HETATM 1543 O O   . HOH L 3 .  ? 46.534 8.674   20.344 1.00 24.84 ?  128 HOH F O   1 
HETATM 1544 O O   . HOH L 3 .  ? 44.911 7.284   18.904 1.00 20.01 ?  129 HOH F O   1 
HETATM 1545 O O   . HOH L 3 .  ? 45.436 20.746  21.399 1.00 16.64 ?  130 HOH F O   1 
HETATM 1546 O O   . HOH L 3 .  ? 37.598 24.868  29.833 1.00 13.99 ?  131 HOH F O   1 
HETATM 1547 O O   . HOH L 3 .  ? 44.238 15.594  19.330 1.00 25.70 ?  132 HOH F O   1 
HETATM 1548 O O   . HOH L 3 .  ? 44.488 12.220  21.974 1.00 25.81 ?  133 HOH F O   1 
HETATM 1549 O O   . HOH L 3 .  ? 45.093 15.007  26.698 1.00 27.95 ?  134 HOH F O   1 
HETATM 1550 O O   . HOH L 3 .  ? 48.987 11.399  16.199 1.00 38.97 ?  135 HOH F O   1 
HETATM 1551 O O   . HOH L 3 .  ? 35.555 30.673  37.942 1.00 32.39 ?  136 HOH F O   1 
HETATM 1552 O O   . HOH L 3 .  ? 40.211 17.012  30.570 1.00 45.52 ?  137 HOH F O   1 
HETATM 1553 O O   . HOH L 3 .  ? 70.376 -37.988 6.744  1.00 31.99 ?  138 HOH F O   1 
HETATM 1554 O O   . HOH L 3 .  ? 36.705 42.596  37.861 1.00 36.11 ?  139 HOH F O   1 
HETATM 1555 O O   . HOH L 3 .  ? 66.818 -17.549 15.373 1.00 38.50 ?  140 HOH F O   1 
HETATM 1556 O O   . HOH L 3 .  ? 34.385 41.710  37.569 1.00 37.05 ?  141 HOH F O   1 
HETATM 1557 O O   . HOH L 3 .  ? 68.172 -10.963 14.714 1.00 23.45 ?  142 HOH F O   1 
HETATM 1558 O O   . HOH L 3 .  ? 51.373 17.214  15.013 1.00 15.11 ?  143 HOH F O   1 
HETATM 1559 O O   . HOH L 3 .  ? 33.708 37.742  34.990 1.00 29.66 ?  144 HOH F O   1 
HETATM 1560 O O   . HOH L 3 .  ? 68.819 -40.017 4.615  1.00 28.28 ?  145 HOH F O   1 
HETATM 1561 O O   . HOH L 3 .  ? 57.459 -18.866 14.535 1.00 20.82 ?  146 HOH F O   1 
HETATM 1562 O O   . HOH L 3 .  ? 36.305 29.885  35.560 1.00 36.76 ?  147 HOH F O   1 
HETATM 1563 O O   . HOH L 3 .  ? 41.552 12.332  25.326 1.00 27.64 ?  148 HOH F O   1 
HETATM 1564 O O   . HOH L 3 .  ? 35.878 28.665  32.148 1.00 38.83 ?  149 HOH F O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    C C   . ACE A 1  ? 0.1097 0.3013 0.1388 0.0260  0.0404  -0.0198 0  ACE A C   
2    O O   . ACE A 1  ? 0.0829 0.0627 0.2056 -0.0100 -0.0554 0.0265  0  ACE A O   
3    C CH3 . ACE A 1  ? 0.0738 0.0644 0.2007 -0.0061 -0.0488 0.0266  0  ACE A CH3 
4    N N   . PRO A 2  ? 0.1480 0.1662 0.1878 0.0170  -0.0361 0.0140  1  PRO A N   
5    C CA  . PRO A 2  ? 0.1255 0.1455 0.1669 0.0159  -0.0342 0.0148  1  PRO A CA  
6    C C   . PRO A 2  ? 0.0644 0.0915 0.1074 0.0163  -0.0293 0.0156  1  PRO A C   
7    O O   . PRO A 2  ? 0.0976 0.1266 0.1397 0.0156  -0.0291 0.0164  1  PRO A O   
8    C CB  . PRO A 2  ? 0.0652 0.0778 0.1021 0.0120  -0.0392 0.0171  1  PRO A CB  
9    C CG  . PRO A 2  ? 0.0978 0.1031 0.1314 0.0117  -0.0440 0.0160  1  PRO A CG  
10   C CD  . PRO A 2  ? 0.0883 0.0986 0.1240 0.0137  -0.0418 0.0149  1  PRO A CD  
11   N N   . VAL A 3  ? 0.0616 0.0917 0.1074 0.0173  -0.0258 0.0149  2  VAL A N   
12   C CA  . VAL A 3  ? 0.0427 0.0775 0.0895 0.0173  -0.0214 0.0150  2  VAL A CA  
13   C C   . VAL A 3  ? 0.0781 0.1134 0.1245 0.0133  -0.0221 0.0182  2  VAL A C   
14   O O   . VAL A 3  ? 0.0750 0.1066 0.1201 0.0109  -0.0255 0.0205  2  VAL A O   
15   C CB  . VAL A 3  ? 0.0822 0.1189 0.1324 0.0185  -0.0178 0.0133  2  VAL A CB  
16   C CG1 . VAL A 3  ? 0.1307 0.1680 0.1829 0.0222  -0.0158 0.0111  2  VAL A CG1 
17   C CG2 . VAL A 3  ? 0.1332 0.1674 0.1847 0.0171  -0.0203 0.0139  2  VAL A CG2 
18   N N   . GLY A 4  ? 0.0914 0.1308 0.1386 0.0127  -0.0192 0.0187  3  GLY A N   
19   C CA  . GLY A 4  ? 0.0392 0.0815 0.0880 0.0089  -0.0186 0.0223  3  GLY A CA  
20   C C   . GLY A 4  ? 0.0425 0.0858 0.0918 0.0076  -0.0165 0.0242  3  GLY A C   
21   O O   . GLY A 4  ? 0.1086 0.1508 0.1579 0.0095  -0.0150 0.0220  3  GLY A O   
22   N N   . ALA A 5  ? 0.0372 0.0832 0.0879 0.0040  -0.0165 0.0288  4  ALA A N   
23   C CA  . ALA A 5  ? 0.0479 0.0956 0.0985 0.0032  -0.0148 0.0314  4  ALA A CA  
24   C C   . ALA A 5  ? 0.0315 0.0828 0.0828 0.0046  -0.0090 0.0287  4  ALA A C   
25   O O   . ALA A 5  ? 0.0295 0.0823 0.0807 0.0053  -0.0066 0.0263  4  ALA A O   
26   C CB  . ALA A 5  ? 0.0688 0.1137 0.1148 -0.0017 -0.0132 0.0349  4  ALA A CB  
27   N N   . ARG A 6  ? 0.1073 0.1581 0.1579 0.0053  -0.0080 0.0289  5  ARG A N   
28   C CA  . ARG A 6  ? 0.0589 0.1109 0.1086 0.0060  -0.0033 0.0267  5  ARG A CA  
29   C C   . ARG A 6  ? 0.0278 0.0842 0.0774 0.0040  0.0000  0.0285  5  ARG A C   
30   O O   . ARG A 6  ? 0.0852 0.1453 0.1368 0.0012  0.0005  0.0326  5  ARG A O   
31   C CB  . ARG A 6  ? 0.0507 0.1011 0.1007 0.0072  -0.0038 0.0262  5  ARG A CB  
32   C CG  . ARG A 6  ? 0.0850 0.1353 0.1337 0.0078  0.0000  0.0238  5  ARG A CG  
33   C CD  . ARG A 6  ? 0.0677 0.1156 0.1186 0.0094  -0.0013 0.0213  5  ARG A CD  
34   N NE  . ARG A 6  ? 0.1331 0.1797 0.1829 0.0097  0.0016  0.0184  5  ARG A NE  
35   C CZ  . ARG A 6  ? 0.0719 0.1182 0.1229 0.0102  0.0020  0.0172  5  ARG A CZ  
36   N NH1 . ARG A 6  ? 0.0994 0.1466 0.1530 0.0110  -0.0006 0.0184  5  ARG A NH1 
37   N NH2 . ARG A 6  ? 0.1450 0.1909 0.1960 0.0105  0.0049  0.0175  5  ARG A NH2 
38   N N   . GLY A 7  ? 0.0472 0.1027 0.0948 0.0050  0.0023  0.0251  6  GLY A N   
39   C CA  . GLY A 7  ? 0.0499 0.1081 0.0982 0.0037  0.0046  0.0247  6  GLY A CA  
40   C C   . GLY A 7  ? 0.0798 0.1392 0.1272 0.0024  0.0072  0.0262  6  GLY A C   
41   O O   . GLY A 7  ? 0.0548 0.1132 0.1008 0.0033  0.0070  0.0277  6  GLY A O   
42   N N   . PRO A 8  ? 0.0715 0.1330 0.1204 0.0005  0.0099  0.0253  7  PRO A N   
43   C CA  . PRO A 8  ? 0.0333 0.0949 0.0802 -0.0006 0.0134  0.0259  7  PRO A CA  
44   C C   . PRO A 8  ? 0.1187 0.1784 0.1634 0.0018  0.0131  0.0229  7  PRO A C   
45   O O   . PRO A 8  ? 0.0717 0.1296 0.1160 0.0036  0.0113  0.0205  7  PRO A O   
46   C CB  . PRO A 8  ? 0.0869 0.1506 0.1375 -0.0037 0.0168  0.0243  7  PRO A CB  
47   C CG  . PRO A 8  ? 0.0905 0.1562 0.1459 -0.0027 0.0139  0.0215  7  PRO A CG  
48   C CD  . PRO A 8  ? 0.0806 0.1446 0.1341 -0.0006 0.0099  0.0231  7  PRO A CD  
49   N N   . ALA A 9  ? 0.1341 0.1937 0.1766 0.0016  0.0155  0.0238  8  ALA A N   
50   C CA  . ALA A 9  ? 0.0739 0.1319 0.1151 0.0033  0.0154  0.0212  8  ALA A CA  
51   C C   . ALA A 9  ? 0.0613 0.1214 0.1051 0.0035  0.0161  0.0192  8  ALA A C   
52   O O   . ALA A 9  ? 0.0704 0.1331 0.1177 0.0017  0.0177  0.0181  8  ALA A O   
53   C CB  . ALA A 9  ? 0.0806 0.1393 0.1194 0.0034  0.0182  0.0231  8  ALA A CB  
54   N N   . GLY A 10 ? 0.0681 0.1275 0.1110 0.0058  0.0151  0.0191  9  GLY A N   
55   C CA  . GLY A 10 ? 0.1207 0.1826 0.1660 0.0066  0.0156  0.0177  9  GLY A CA  
56   C C   . GLY A 10 ? 0.1001 0.1648 0.1478 0.0053  0.0186  0.0162  9  GLY A C   
57   O O   . GLY A 10 ? 0.0534 0.1173 0.0992 0.0038  0.0208  0.0166  9  GLY A O   
58   N N   . PRO A 11 ? 0.0348 0.1028 0.0866 0.0057  0.0191  0.0142  10 PRO A N   
59   C CA  . PRO A 11 ? 0.0874 0.1586 0.1427 0.0044  0.0226  0.0123  10 PRO A CA  
60   C C   . PRO A 11 ? 0.0536 0.1227 0.1047 0.0057  0.0233  0.0130  10 PRO A C   
61   O O   . PRO A 11 ? 0.0866 0.1527 0.1339 0.0078  0.0208  0.0145  10 PRO A O   
62   C CB  . PRO A 11 ? 0.0731 0.1489 0.1354 0.0053  0.0219  0.0093  10 PRO A CB  
63   C CG  . PRO A 11 ? 0.1308 0.2057 0.1929 0.0068  0.0184  0.0098  10 PRO A CG  
64   C CD  . PRO A 11 ? 0.0670 0.1364 0.1212 0.0075  0.0169  0.0132  10 PRO A CD  
65   N N   . GLN A 12 ? 0.0798 0.1506 0.1320 0.0042  0.0271  0.0117  11 GLN A N   
66   C CA  . GLN A 12 ? 0.0831 0.1526 0.1321 0.0056  0.0279  0.0119  11 GLN A CA  
67   C C   . GLN A 12 ? 0.0826 0.1534 0.1336 0.0080  0.0259  0.0110  11 GLN A C   
68   O O   . GLN A 12 ? 0.0925 0.1668 0.1490 0.0082  0.0256  0.0091  11 GLN A O   
69   C CB  . GLN A 12 ? 0.1566 0.2278 0.2059 0.0036  0.0334  0.0103  11 GLN A CB  
70   C CG  . GLN A 12 ? 0.1254 0.1949 0.1707 0.0054  0.0343  0.0103  11 GLN A CG  
71   C CD  . GLN A 12 ? 0.1097 0.1817 0.1556 0.0039  0.0400  0.0081  11 GLN A CD  
72   O OE1 . GLN A 12 ? 0.1356 0.2122 0.1868 0.0014  0.0432  0.0061  11 GLN A OE1 
73   N NE2 . GLN A 12 ? 0.1264 0.1961 0.1671 0.0053  0.0415  0.0082  11 GLN A NE2 
74   N N   . GLY A 13 ? 0.0676 0.1356 0.1148 0.0099  0.0244  0.0121  12 GLY A N   
75   C CA  . GLY A 13 ? 0.0547 0.1229 0.1027 0.0120  0.0230  0.0117  12 GLY A CA  
76   C C   . GLY A 13 ? 0.0481 0.1204 0.1005 0.0122  0.0253  0.0091  12 GLY A C   
77   O O   . GLY A 13 ? 0.0594 0.1342 0.1143 0.0104  0.0287  0.0075  12 GLY A O   
78   N N   . PRO A 14 ? 0.0414 0.1144 0.0951 0.0142  0.0239  0.0084  13 PRO A N   
79   C CA  . PRO A 14 ? 0.0434 0.1206 0.1027 0.0147  0.0258  0.0054  13 PRO A CA  
80   C C   . PRO A 14 ? 0.0830 0.1597 0.1405 0.0149  0.0279  0.0050  13 PRO A C   
81   O O   . PRO A 14 ? 0.0620 0.1350 0.1142 0.0156  0.0270  0.0070  13 PRO A O   
82   C CB  . PRO A 14 ? 0.0672 0.1443 0.1274 0.0173  0.0232  0.0051  13 PRO A CB  
83   C CG  . PRO A 14 ? 0.0996 0.1717 0.1531 0.0181  0.0210  0.0084  13 PRO A CG  
84   C CD  . PRO A 14 ? 0.0398 0.1096 0.0902 0.0161  0.0213  0.0102  13 PRO A CD  
85   N N   . ARG A 15 ? 0.0482 0.1293 0.1114 0.0146  0.0309  0.0019  14 ARG A N   
86   C CA  A ARG A 15 ? 0.0784 0.1596 0.1402 0.0150  0.0337  0.0010  14 ARG A CA  
87   C CA  B ARG A 15 ? 0.0774 0.1585 0.1391 0.0150  0.0337  0.0011  14 ARG A CA  
88   C CA  C ARG A 15 ? 0.0783 0.1593 0.1398 0.0150  0.0336  0.0011  14 ARG A CA  
89   C C   . ARG A 15 ? 0.1101 0.1898 0.1707 0.0178  0.0313  0.0013  14 ARG A C   
90   O O   . ARG A 15 ? 0.0543 0.1350 0.1178 0.0193  0.0290  0.0007  14 ARG A O   
91   C CB  A ARG A 15 ? 0.0875 0.1743 0.1566 0.0136  0.0385  -0.0029 14 ARG A CB  
92   C CB  B ARG A 15 ? 0.0899 0.1766 0.1587 0.0135  0.0386  -0.0028 14 ARG A CB  
93   C CB  C ARG A 15 ? 0.0882 0.1747 0.1566 0.0135  0.0386  -0.0027 14 ARG A CB  
94   C CG  A ARG A 15 ? 0.0980 0.1851 0.1649 0.0141  0.0423  -0.0042 14 ARG A CG  
95   C CG  B ARG A 15 ? 0.1146 0.2012 0.1802 0.0137  0.0427  -0.0038 14 ARG A CG  
96   C CG  C ARG A 15 ? 0.1175 0.2033 0.1812 0.0129  0.0431  -0.0031 14 ARG A CG  
97   C CD  A ARG A 15 ? 0.1539 0.2449 0.2212 0.0112  0.0483  -0.0063 14 ARG A CD  
98   C CD  B ARG A 15 ? 0.1533 0.2461 0.2240 0.0114  0.0479  -0.0075 14 ARG A CD  
99   C CD  C ARG A 15 ? 0.1498 0.2422 0.2198 0.0115  0.0480  -0.0073 14 ARG A CD  
100  N NE  A ARG A 15 ? 0.1343 0.2223 0.1934 0.0118  0.0518  -0.0057 14 ARG A NE  
101  N NE  B ARG A 15 ? 0.1636 0.2595 0.2363 0.0085  0.0485  -0.0076 14 ARG A NE  
102  N NE  C ARG A 15 ? 0.1508 0.2463 0.2294 0.0131  0.0457  -0.0099 14 ARG A NE  
103  C CZ  A ARG A 15 ? 0.1338 0.2246 0.1937 0.0128  0.0551  -0.0083 14 ARG A CZ  
104  C CZ  B ARG A 15 ? 0.1074 0.2044 0.1752 0.0059  0.0526  -0.0063 14 ARG A CZ  
105  C CZ  C ARG A 15 ? 0.1375 0.2384 0.2242 0.0122  0.0446  -0.0128 14 ARG A CZ  
106  N NH1 A ARG A 15 ? 0.1624 0.2590 0.2311 0.0132  0.0548  -0.0115 14 ARG A NH1 
107  N NH1 B ARG A 15 ? 0.1326 0.2268 0.1922 0.0061  0.0568  -0.0053 14 ARG A NH1 
108  N NH1 C ARG A 15 ? 0.1346 0.2409 0.2213 0.0097  0.0451  -0.0130 14 ARG A NH1 
109  N NH2 A ARG A 15 ? 0.1647 0.2515 0.2154 0.0140  0.0581  -0.0076 14 ARG A NH2 
110  N NH2 B ARG A 15 ? 0.1353 0.2361 0.2056 0.0036  0.0527  -0.0056 14 ARG A NH2 
111  N NH2 C ARG A 15 ? 0.1630 0.2644 0.2578 0.0143  0.0425  -0.0151 14 ARG A NH2 
112  N N   . GLY A 16 ? 0.1097 0.1871 0.1661 0.0188  0.0319  0.0018  15 GLY A N   
113  C CA  . GLY A 16 ? 0.0513 0.1278 0.1074 0.0212  0.0303  0.0016  15 GLY A CA  
114  C C   . GLY A 16 ? 0.0541 0.1347 0.1162 0.0222  0.0324  -0.0016 15 GLY A C   
115  O O   . GLY A 16 ? 0.0571 0.1413 0.1234 0.0209  0.0363  -0.0039 15 GLY A O   
116  N N   . ASP A 17 ? 0.0947 0.1197 0.1072 -0.0500 -0.0221 -0.0101 16 ASP A N   
117  C CA  . ASP A 17 ? 0.0860 0.1235 0.0980 -0.0507 -0.0240 -0.0084 16 ASP A CA  
118  C C   . ASP A 17 ? 0.0952 0.1387 0.1117 -0.0516 -0.0199 -0.0064 16 ASP A C   
119  O O   . ASP A 17 ? 0.0811 0.1156 0.0950 -0.0512 -0.0180 -0.0067 16 ASP A O   
120  C CB  . ASP A 17 ? 0.0994 0.1238 0.0951 -0.0419 -0.0208 -0.0085 16 ASP A CB  
121  C CG  . ASP A 17 ? 0.1981 0.2156 0.1798 -0.0355 -0.0296 -0.0105 16 ASP A CG  
122  O OD1 . ASP A 17 ? 0.1365 0.1718 0.1333 -0.0359 -0.0401 -0.0141 16 ASP A OD1 
123  O OD2 . ASP A 17 ? 0.1904 0.1809 0.1445 -0.0301 -0.0250 -0.0104 16 ASP A OD2 
124  N N   . LYS A 18 ? 0.1270 0.1850 0.1520 -0.0510 -0.0191 -0.0071 17 LYS A N   
125  C CA  . LYS A 18 ? 0.1076 0.1693 0.1339 -0.0511 -0.0122 -0.0061 17 LYS A CA  
126  C C   . LYS A 18 ? 0.0799 0.1338 0.0982 -0.0431 -0.0104 -0.0050 17 LYS A C   
127  O O   . LYS A 18 ? 0.1163 0.1643 0.1287 -0.0363 -0.0118 -0.0055 17 LYS A O   
128  C CB  . LYS A 18 ? 0.1173 0.1997 0.1629 -0.0512 -0.0098 -0.0119 17 LYS A CB  
129  C CG  . LYS A 18 ? 0.1384 0.2235 0.1855 -0.0540 0.0020  -0.0124 17 LYS A CG  
130  C CD  . LYS A 18 ? 0.0837 0.1943 0.1608 -0.0530 0.0053  -0.0235 17 LYS A CD  
131  C CE  . LYS A 18 ? 0.1398 0.2508 0.2188 -0.0600 0.0234  -0.0258 17 LYS A CE  
132  N NZ  . LYS A 18 ? 0.2366 0.3755 0.3527 -0.0564 0.0265  -0.0406 17 LYS A NZ  
133  N N   . GLY A 19 ? 0.0969 0.1447 0.1104 -0.0435 -0.0068 -0.0044 18 GLY A N   
134  C CA  . GLY A 19 ? 0.1243 0.1658 0.1360 -0.0374 -0.0043 -0.0062 18 GLY A CA  
135  C C   . GLY A 19 ? 0.1040 0.1519 0.1165 -0.0304 -0.0014 -0.0056 18 GLY A C   
136  O O   . GLY A 19 ? 0.1285 0.1904 0.1484 -0.0289 -0.0030 -0.0066 18 GLY A O   
137  N N   . GLU A 20 ? 0.0878 0.1238 0.0954 -0.0257 0.0031  -0.0069 19 GLU A N   
138  C CA  . GLU A 20 ? 0.1120 0.1449 0.1130 -0.0166 0.0046  -0.0062 19 GLU A CA  
139  C C   . GLU A 20 ? 0.0929 0.1387 0.1019 -0.0145 0.0061  -0.0077 19 GLU A C   
140  O O   . GLU A 20 ? 0.1055 0.1521 0.1164 -0.0190 0.0083  -0.0089 19 GLU A O   
141  C CB  . GLU A 20 ? 0.1322 0.1391 0.1195 -0.0143 0.0138  -0.0071 19 GLU A CB  
142  C CG  . GLU A 20 ? 0.2240 0.2086 0.1933 -0.0153 0.0176  -0.0060 19 GLU A CG  
143  C CD  . GLU A 20 ? 0.2052 0.1852 0.1557 -0.0053 0.0057  -0.0029 19 GLU A CD  
144  O OE1 . GLU A 20 ? 0.2774 0.2401 0.2067 0.0071  0.0022  -0.0019 19 GLU A OE1 
145  O OE2 . GLU A 20 ? 0.1675 0.1591 0.1243 -0.0083 -0.0024 -0.0033 19 GLU A OE2 
146  N N   . THR A 21 ? 0.1232 0.1757 0.1343 -0.0057 0.0034  -0.0094 20 THR A N   
147  C CA  . THR A 21 ? 0.0972 0.1621 0.1178 -0.0031 0.0072  -0.0129 20 THR A CA  
148  C C   . THR A 21 ? 0.1057 0.1556 0.1172 -0.0014 0.0129  -0.0124 20 THR A C   
149  O O   . THR A 21 ? 0.1507 0.1805 0.1517 0.0008  0.0152  -0.0113 20 THR A O   
150  C CB  . THR A 21 ? 0.1661 0.2418 0.1965 0.0090  -0.0001 -0.0191 20 THR A CB  
151  O OG1 . THR A 21 ? 0.2351 0.3288 0.2832 0.0074  -0.0073 -0.0248 20 THR A OG1 
152  C CG2 . THR A 21 ? 0.1724 0.2632 0.2177 0.0113  0.0061  -0.0253 20 THR A CG2 
153  N N   . GLY A 22 ? 0.1092 0.1653 0.1236 -0.0031 0.0172  -0.0148 21 GLY A N   
154  C CA  . GLY A 22 ? 0.1120 0.1560 0.1213 -0.0003 0.0200  -0.0174 21 GLY A CA  
155  C C   . GLY A 22 ? 0.1137 0.1497 0.1210 0.0091  0.0218  -0.0184 21 GLY A C   
156  O O   . GLY A 22 ? 0.1938 0.2339 0.2012 0.0168  0.0179  -0.0180 21 GLY A O   
157  N N   . GLU A 23 ? 0.1490 0.1704 0.1544 0.0097  0.0261  -0.0219 22 GLU A N   
158  C CA  . GLU A 23 ? 0.1575 0.1627 0.1555 0.0177  0.0303  -0.0226 22 GLU A CA  
159  C C   . GLU A 23 ? 0.2007 0.2191 0.2027 0.0260  0.0284  -0.0254 22 GLU A C   
160  O O   . GLU A 23 ? 0.1723 0.2083 0.1814 0.0231  0.0285  -0.0279 22 GLU A O   
161  C CB  . GLU A 23 ? 0.2479 0.2338 0.2495 0.0130  0.0391  -0.0290 22 GLU A CB  
162  C CG  . GLU A 23 ? 0.2673 0.2618 0.2809 0.0135  0.0368  -0.0377 22 GLU A CG  
163  C CD  . GLU A 23 ? 0.2732 0.2751 0.2982 0.0077  0.0294  -0.0448 22 GLU A CD  
164  O OE1 . GLU A 23 ? 0.2272 0.2366 0.2485 0.0041  0.0244  -0.0396 22 GLU A OE1 
165  O OE2 . GLU A 23 ? 0.2176 0.2156 0.2553 0.0083  0.0264  -0.0575 22 GLU A OE2 
166  N N   . GLN A 24 ? 0.1552 0.1592 0.1481 0.0369  0.0281  -0.0257 23 GLN A N   
167  C CA  . GLN A 24 ? 0.1837 0.2007 0.1846 0.0465  0.0258  -0.0311 23 GLN A CA  
168  C C   . GLN A 24 ? 0.1545 0.1726 0.1595 0.0429  0.0324  -0.0359 23 GLN A C   
169  O O   . GLN A 24 ? 0.2685 0.2706 0.2706 0.0375  0.0365  -0.0374 23 GLN A O   
170  C CB  . GLN A 24 ? 0.2814 0.2752 0.2664 0.0622  0.0203  -0.0314 23 GLN A CB  
171  C CG  . GLN A 24 ? 0.3226 0.3371 0.3242 0.0756  0.0124  -0.0405 23 GLN A CG  
172  C CD  . GLN A 24 ? 0.3045 0.2972 0.2894 0.0960  -0.0031 -0.0428 23 GLN A CD  
173  O OE1 . GLN A 24 ? 0.3918 0.3470 0.3426 0.0999  -0.0064 -0.0352 23 GLN A OE1 
174  N NE2 . GLN A 24 ? 0.3377 0.3493 0.3434 0.1106  -0.0131 -0.0552 23 GLN A NE2 
175  N N   . GLY A 25 ? 0.2340 0.2709 0.2480 0.0460  0.0340  -0.0413 24 GLY A N   
176  C CA  . GLY A 25 ? 0.1767 0.2109 0.1872 0.0449  0.0387  -0.0466 24 GLY A CA  
177  C C   . GLY A 25 ? 0.2817 0.2991 0.2898 0.0532  0.0394  -0.0506 24 GLY A C   
178  O O   . GLY A 25 ? 0.2796 0.2824 0.2832 0.0606  0.0375  -0.0482 24 GLY A O   
179  N N   . ASP A 26 ? 0.2108 0.2242 0.2160 0.0531  0.0415  -0.0572 25 ASP A N   
180  C CA  . ASP A 26 ? 0.1969 0.1945 0.2022 0.0597  0.0431  -0.0630 25 ASP A CA  
181  C C   . ASP A 26 ? 0.2592 0.2619 0.2670 0.0719  0.0435  -0.0646 25 ASP A C   
182  O O   . ASP A 26 ? 0.3055 0.3308 0.3220 0.0745  0.0443  -0.0669 25 ASP A O   
183  C CB  . ASP A 26 ? 0.2084 0.2027 0.2104 0.0592  0.0418  -0.0727 25 ASP A CB  
184  C CG  . ASP A 26 ? 0.3447 0.3322 0.3490 0.0518  0.0352  -0.0771 25 ASP A CG  
185  O OD1 . ASP A 26 ? 0.2847 0.2675 0.2996 0.0454  0.0365  -0.0746 25 ASP A OD1 
186  O OD2 . ASP A 26 ? 0.3783 0.3619 0.3719 0.0540  0.0278  -0.0849 25 ASP A OD2 
187  N N   . ARG A 27 ? 0.1867 0.2036 0.1744 0.0250  0.0903  0.0288  26 ARG A N   
188  C CA  . ARG A 27 ? 0.2040 0.2094 0.1913 0.0379  0.0941  0.0168  26 ARG A CA  
189  C C   . ARG A 27 ? 0.2612 0.2629 0.2321 0.0372  0.0967  -0.0003 26 ARG A C   
190  O O   . ARG A 27 ? 0.3373 0.3317 0.2953 0.0265  0.0915  -0.0038 26 ARG A O   
191  C CB  . ARG A 27 ? 0.2740 0.2525 0.2673 0.0404  0.0890  0.0187  26 ARG A CB  
192  C CG  . ARG A 27 ? 0.2600 0.2228 0.2517 0.0525  0.0912  0.0051  26 ARG A CG  
193  C CD  . ARG A 27 ? 0.2893 0.2307 0.2899 0.0594  0.0883  0.0112  26 ARG A CD  
194  N NE  . ARG A 27 ? 0.3275 0.2600 0.3299 0.0740  0.0909  0.0004  26 ARG A NE  
195  C CZ  . ARG A 27 ? 0.3097 0.2163 0.3126 0.0796  0.0880  -0.0032 26 ARG A CZ  
196  N NH1 . ARG A 27 ? 0.2968 0.1832 0.2992 0.0718  0.0833  0.0028  26 ARG A NH1 
197  N NH2 . ARG A 27 ? 0.3107 0.2113 0.3165 0.0934  0.0900  -0.0133 26 ARG A NH2 
198  N N   . GLY A 28 ? 0.2408 0.2463 0.2122 0.0489  0.1047  -0.0113 27 GLY A N   
199  C CA  . GLY A 28 ? 0.2558 0.2547 0.2107 0.0495  0.1096  -0.0279 27 GLY A CA  
200  C C   . GLY A 28 ? 0.2988 0.2691 0.2439 0.0468  0.1027  -0.0362 27 GLY A C   
201  O O   . GLY A 28 ? 0.3456 0.3008 0.3004 0.0476  0.0961  -0.0311 27 GLY A O   
202  N N   . ILE A 29 ? 0.3578 0.3191 0.2821 0.0436  0.1047  -0.0493 28 ILE A N   
203  C CA  . ILE A 29 ? 0.4463 0.3796 0.3597 0.0424  0.0988  -0.0595 28 ILE A CA  
204  C C   . ILE A 29 ? 0.3895 0.3131 0.3142 0.0557  0.1035  -0.0669 28 ILE A C   
205  O O   . ILE A 29 ? 0.4587 0.3958 0.3933 0.0661  0.1132  -0.0700 28 ILE A O   
206  C CB  . ILE A 29 ? 0.4528 0.3764 0.3377 0.0378  0.1007  -0.0727 28 ILE A CB  
207  C CG1 . ILE A 29 ? 0.5087 0.4037 0.3809 0.0314  0.0888  -0.0789 28 ILE A CG1 
208  C CG2 . ILE A 29 ? 0.4609 0.3858 0.3391 0.0486  0.1155  -0.0865 28 ILE A CG2 
209  C CD1 . ILE A 29 ? 0.5230 0.4049 0.3634 0.0253  0.0871  -0.0898 28 ILE A CD1 
210  N N   . LYS A 30 ? 0.4192 0.3191 0.3446 0.0554  0.0959  -0.0697 29 LYS A N   
211  C CA  . LYS A 30 ? 0.4722 0.3606 0.4073 0.0680  0.0993  -0.0769 29 LYS A CA  
212  C C   . LYS A 30 ? 0.5257 0.4065 0.4463 0.0734  0.1076  -0.0949 29 LYS A C   
213  O O   . LYS A 30 ? 0.5339 0.4148 0.4342 0.0672  0.1104  -0.1013 29 LYS A O   
214  C CB  . LYS A 30 ? 0.4689 0.3332 0.4093 0.0665  0.0897  -0.0741 29 LYS A CB  
215  C CG  . LYS A 30 ? 0.5012 0.3409 0.4256 0.0636  0.0859  -0.0878 29 LYS A CG  
216  C CD  . LYS A 30 ? 0.5290 0.3465 0.4599 0.0590  0.0755  -0.0832 29 LYS A CD  
217  C CE  . LYS A 30 ? 0.5487 0.3559 0.4938 0.0710  0.0776  -0.0826 29 LYS A CE  
218  N NZ  . LYS A 30 ? 0.5230 0.3049 0.4729 0.0676  0.0697  -0.0803 29 LYS A NZ  
219  N N   . GLY A 31 ? 0.3582 0.4632 0.7320 0.0588  0.1547  0.0486  30 GLY A N   
220  C CA  . GLY A 31 ? 0.4100 0.6037 0.4429 0.0623  0.2467  0.0251  30 GLY A CA  
221  C C   . GLY A 31 ? 0.4111 0.3918 0.7154 0.0753  0.0712  0.2715  30 GLY A C   
222  O O   . GLY A 31 ? 0.4601 0.6195 0.4959 0.1535  0.2555  0.0946  30 GLY A O   
223  C C   . ACE B 1  ? 0.1951 0.1491 0.3885 -0.0145 0.1378  0.0088  0  ACE B C   
224  O O   . ACE B 1  ? 0.0982 0.1302 0.2533 0.0274  -0.0110 0.0656  0  ACE B O   
225  C CH3 . ACE B 1  ? 0.1101 0.1328 0.2593 0.0366  -0.0015 0.0671  0  ACE B CH3 
226  N N   . ALA B 2  ? 0.1344 0.1663 0.1953 -0.0302 0.0322  -0.0265 1  ALA B N   
227  C CA  . ALA B 2  ? 0.1133 0.1463 0.1680 -0.0317 0.0287  -0.0266 1  ALA B CA  
228  C C   . ALA B 2  ? 0.0656 0.1025 0.1209 -0.0300 0.0249  -0.0220 1  ALA B C   
229  O O   . ALA B 2  ? 0.0579 0.0987 0.1157 -0.0283 0.0269  -0.0206 1  ALA B O   
230  C CB  . ALA B 2  ? 0.1177 0.1556 0.1679 -0.0331 0.0298  -0.0331 1  ALA B CB  
231  N N   . VAL B 3  ? 0.0791 0.1132 0.1318 -0.0308 0.0210  -0.0199 2  VAL B N   
232  C CA  . VAL B 3  ? 0.0705 0.1076 0.1239 -0.0296 0.0173  -0.0162 2  VAL B CA  
233  C C   . VAL B 3  ? 0.0865 0.1301 0.1346 -0.0290 0.0184  -0.0177 2  VAL B C   
234  O O   . VAL B 3  ? 0.0756 0.1222 0.1195 -0.0299 0.0191  -0.0228 2  VAL B O   
235  C CB  . VAL B 3  ? 0.1238 0.1549 0.1733 -0.0305 0.0133  -0.0147 2  VAL B CB  
236  C CG1 . VAL B 3  ? 0.1002 0.1297 0.1421 -0.0329 0.0159  -0.0180 2  VAL B CG1 
237  C CG2 . VAL B 3  ? 0.1320 0.1658 0.1839 -0.0294 0.0090  -0.0116 2  VAL B CG2 
238  N N   . GLY B 4  ? 0.0524 0.0987 0.1026 -0.0276 0.0188  -0.0145 3  GLY B N   
239  C CA  . GLY B 4  ? 0.0588 0.1085 0.1009 -0.0257 0.0196  -0.0152 3  GLY B CA  
240  C C   . GLY B 4  ? 0.0995 0.1518 0.1377 -0.0264 0.0149  -0.0165 3  GLY B C   
241  O O   . GLY B 4  ? 0.0895 0.1387 0.1299 -0.0282 0.0122  -0.0154 3  GLY B O   
242  N N   . PRO B 5  ? 0.0710 0.1264 0.1010 -0.0232 0.0134  -0.0189 4  PRO B N   
243  C CA  . PRO B 5  ? 0.0466 0.1058 0.0757 -0.0233 0.0090  -0.0212 4  PRO B CA  
244  C C   . PRO B 5  ? 0.0439 0.1001 0.0733 -0.0233 0.0081  -0.0152 4  PRO B C   
245  O O   . PRO B 5  ? 0.0567 0.1088 0.0860 -0.0220 0.0106  -0.0101 4  PRO B O   
246  C CB  . PRO B 5  ? 0.1149 0.1774 0.1348 -0.0176 0.0060  -0.0259 4  PRO B CB  
247  C CG  . PRO B 5  ? 0.1322 0.1882 0.1425 -0.0137 0.0103  -0.0225 4  PRO B CG  
248  C CD  . PRO B 5  ? 0.1024 0.1569 0.1222 -0.0183 0.0151  -0.0209 4  PRO B CD  
249  N N   . ARG B 6  ? 0.0404 0.0978 0.0715 -0.0250 0.0054  -0.0165 5  ARG B N   
250  C CA  . ARG B 6  ? 0.0710 0.1249 0.1017 -0.0250 0.0038  -0.0118 5  ARG B CA  
251  C C   . ARG B 6  ? 0.0745 0.1284 0.0989 -0.0204 0.0036  -0.0094 5  ARG B C   
252  O O   . ARG B 6  ? 0.1317 0.1887 0.1494 -0.0162 0.0020  -0.0128 5  ARG B O   
253  C CB  . ARG B 6  ? 0.0744 0.1267 0.1049 -0.0266 0.0024  -0.0140 5  ARG B CB  
254  C CG  . ARG B 6  ? 0.0398 0.0874 0.0692 -0.0271 0.0005  -0.0098 5  ARG B CG  
255  C CD  . ARG B 6  ? 0.1206 0.1658 0.1477 -0.0280 0.0006  -0.0121 5  ARG B CD  
256  N NE  . ARG B 6  ? 0.0722 0.1098 0.0958 -0.0286 -0.0016 -0.0085 5  ARG B NE  
257  C CZ  . ARG B 6  ? 0.0644 0.0965 0.0833 -0.0292 -0.0008 -0.0094 5  ARG B CZ  
258  N NH1 . ARG B 6  ? 0.0469 0.0819 0.0675 -0.0304 0.0035  -0.0141 5  ARG B NH1 
259  N NH2 . ARG B 6  ? 0.1327 0.1558 0.1462 -0.0284 -0.0041 -0.0065 5  ARG B NH2 
260  N N   . GLY B 7  ? 0.0443 0.0932 0.0706 -0.0206 0.0050  -0.0041 6  GLY B N   
261  C CA  . GLY B 7  ? 0.0521 0.0967 0.0713 -0.0165 0.0072  -0.0006 6  GLY B CA  
262  C C   . GLY B 7  ? 0.0997 0.1461 0.1122 -0.0133 0.0029  -0.0022 6  GLY B C   
263  O O   . GLY B 7  ? 0.0478 0.0990 0.0645 -0.0155 -0.0007 -0.0059 6  GLY B O   
264  N N   . PRO B 8  ? 0.1009 0.1417 0.1024 -0.0075 0.0044  0.0004  7  PRO B N   
265  C CA  . PRO B 8  ? 0.0803 0.1225 0.0754 -0.0028 -0.0006 -0.0015 7  PRO B CA  
266  C C   . PRO B 8  ? 0.1638 0.2043 0.1652 -0.0060 -0.0010 0.0010  7  PRO B C   
267  O O   . PRO B 8  ? 0.0912 0.1282 0.1004 -0.0109 0.0018  0.0043  7  PRO B O   
268  C CB  . PRO B 8  ? 0.1059 0.1377 0.0827 0.0058  0.0018  0.0016  7  PRO B CB  
269  C CG  . PRO B 8  ? 0.1925 0.2150 0.1699 0.0031  0.0117  0.0077  7  PRO B CG  
270  C CD  . PRO B 8  ? 0.1459 0.1766 0.1385 -0.0041 0.0119  0.0051  7  PRO B CD  
271  N N   . SER B 9  ? 0.0651 0.1082 0.0637 -0.0024 -0.0053 -0.0016 8  SER B N   
272  C CA  . SER B 9  ? 0.1331 0.1735 0.1354 -0.0045 -0.0057 0.0003  8  SER B CA  
273  C C   . SER B 9  ? 0.1147 0.1439 0.1121 -0.0030 -0.0010 0.0069  8  SER B C   
274  O O   . SER B 9  ? 0.1684 0.1901 0.1546 0.0023  0.0026  0.0101  8  SER B O   
275  C CB  . SER B 9  ? 0.0774 0.1230 0.0789 -0.0001 -0.0105 -0.0045 8  SER B CB  
276  O OG  . SER B 9  ? 0.2550 0.3099 0.2668 -0.0038 -0.0120 -0.0114 8  SER B OG  
277  N N   . GLY B 10 ? 0.1095 0.1356 0.1144 -0.0076 -0.0005 0.0086  9  GLY B N   
278  C CA  . GLY B 10 ? 0.1102 0.1261 0.1152 -0.0074 0.0044  0.0133  9  GLY B CA  
279  C C   . GLY B 10 ? 0.1289 0.1388 0.1226 -0.0009 0.0044  0.0150  9  GLY B C   
280  O O   . GLY B 10 ? 0.0858 0.1011 0.0734 0.0040  -0.0008 0.0117  9  GLY B O   
281  N N   . PRO B 11 ? 0.1710 0.1693 0.1638 -0.0006 0.0104  0.0195  10 PRO B N   
282  C CA  . PRO B 11 ? 0.1716 0.1609 0.1515 0.0065  0.0113  0.0220  10 PRO B CA  
283  C C   . PRO B 11 ? 0.1468 0.1407 0.1321 0.0052  0.0054  0.0189  10 PRO B C   
284  O O   . PRO B 11 ? 0.1314 0.1302 0.1285 -0.0016 0.0027  0.0161  10 PRO B O   
285  C CB  . PRO B 11 ? 0.1666 0.1401 0.1463 0.0056  0.0224  0.0276  10 PRO B CB  
286  C CG  . PRO B 11 ? 0.1597 0.1381 0.1607 -0.0040 0.0247  0.0257  10 PRO B CG  
287  C CD  . PRO B 11 ? 0.1571 0.1505 0.1642 -0.0071 0.0162  0.0210  10 PRO B CD  
288  N N   . GLN B 12 ? 0.1223 0.0738 0.0986 0.0378  -0.0187 0.0245  11 GLN B N   
289  C CA  . GLN B 12 ? 0.1227 0.0789 0.1009 0.0375  -0.0212 0.0236  11 GLN B CA  
290  C C   . GLN B 12 ? 0.1586 0.1216 0.1405 0.0327  -0.0183 0.0279  11 GLN B C   
291  O O   . GLN B 12 ? 0.1311 0.0919 0.1135 0.0328  -0.0152 0.0277  11 GLN B O   
292  C CB  . GLN B 12 ? 0.1719 0.1258 0.1439 0.0447  -0.0275 0.0127  11 GLN B CB  
293  C CG  . GLN B 12 ? 0.2329 0.1935 0.2099 0.0444  -0.0307 0.0101  11 GLN B CG  
294  C CD  . GLN B 12 ? 0.2557 0.2180 0.2344 0.0517  -0.0402 -0.0048 11 GLN B CD  
295  O OE1 . GLN B 12 ? 0.3111 0.2668 0.2751 0.0578  -0.0424 -0.0111 11 GLN B OE1 
296  N NE2 . GLN B 12 ? 0.1728 0.1442 0.1717 0.0516  -0.0459 -0.0127 11 GLN B NE2 
297  N N   . GLY B 13 ? 0.1324 0.0995 0.1149 0.0308  -0.0197 0.0304  12 GLY B N   
298  C CA  . GLY B 13 ? 0.1015 0.0741 0.0861 0.0289  -0.0199 0.0316  12 GLY B CA  
299  C C   . GLY B 13 ? 0.1028 0.0766 0.0872 0.0315  -0.0184 0.0272  12 GLY B C   
300  O O   . GLY B 13 ? 0.1504 0.1209 0.1294 0.0351  -0.0183 0.0226  12 GLY B O   
301  N N   . ILE B 14 ? 0.1176 0.0944 0.1069 0.0320  -0.0181 0.0275  13 ILE B N   
302  C CA  . ILE B 14 ? 0.1374 0.1128 0.1268 0.0356  -0.0142 0.0243  13 ILE B CA  
303  C C   . ILE B 14 ? 0.1272 0.1102 0.1124 0.0354  -0.0176 0.0219  13 ILE B C   
304  O O   . ILE B 14 ? 0.0912 0.0799 0.0742 0.0327  -0.0218 0.0231  13 ILE B O   
305  C CB  . ILE B 14 ? 0.1243 0.0997 0.1276 0.0390  -0.0111 0.0238  13 ILE B CB  
306  C CG1 . ILE B 14 ? 0.0910 0.0802 0.1015 0.0396  -0.0199 0.0233  13 ILE B CG1 
307  C CG2 . ILE B 14 ? 0.2267 0.1930 0.2355 0.0397  -0.0067 0.0240  13 ILE B CG2 
308  C CD1 . ILE B 14 ? 0.1409 0.1393 0.1742 0.0430  -0.0194 0.0156  13 ILE B CD1 
309  N N   . ARG B 15 ? 0.0931 0.0737 0.0754 0.0391  -0.0142 0.0185  14 ARG B N   
310  C CA  . ARG B 15 ? 0.0899 0.0786 0.0703 0.0394  -0.0178 0.0149  14 ARG B CA  
311  C C   . ARG B 15 ? 0.1208 0.1215 0.1083 0.0372  -0.0200 0.0155  14 ARG B C   
312  O O   . ARG B 15 ? 0.1730 0.1753 0.1713 0.0377  -0.0174 0.0149  14 ARG B O   
313  C CB  . ARG B 15 ? 0.1000 0.0813 0.0726 0.0453  -0.0135 0.0105  14 ARG B CB  
314  C CG  . ARG B 15 ? 0.0944 0.0844 0.0666 0.0463  -0.0192 0.0043  14 ARG B CG  
315  C CD  . ARG B 15 ? 0.1154 0.0967 0.0761 0.0533  -0.0153 0.0001  14 ARG B CD  
316  N NE  . ARG B 15 ? 0.1024 0.0937 0.0666 0.0544  -0.0226 -0.0080 14 ARG B NE  
317  C CZ  . ARG B 15 ? 0.1548 0.1403 0.1075 0.0611  -0.0230 -0.0136 14 ARG B CZ  
318  N NH1 . ARG B 15 ? 0.1320 0.1006 0.0642 0.0672  -0.0156 -0.0097 14 ARG B NH1 
319  N NH2 . ARG B 15 ? 0.1275 0.1247 0.0899 0.0611  -0.0306 -0.0231 14 ARG B NH2 
320  N N   . GLY B 16 ? 0.1019 0.1109 0.0873 0.0318  -0.0227 0.0134  15 GLY B N   
321  C CA  . GLY B 16 ? 0.1039 0.1218 0.0910 0.0287  -0.0240 0.0116  15 GLY B CA  
322  C C   . GLY B 16 ? 0.1539 0.1775 0.1497 0.0293  -0.0211 0.0063  15 GLY B C   
323  O O   . GLY B 16 ? 0.0850 0.1031 0.0802 0.0327  -0.0167 0.0051  15 GLY B O   
324  N N   . ASP B 17 ? 0.0988 0.1311 0.1005 0.0282  -0.0239 0.0021  16 ASP B N   
325  C CA  . ASP B 17 ? 0.0823 0.1203 0.0966 0.0278  -0.0197 -0.0043 16 ASP B CA  
326  C C   . ASP B 17 ? 0.1316 0.1717 0.1379 0.0253  -0.0171 -0.0052 16 ASP B C   
327  O O   . ASP B 17 ? 0.0704 0.1115 0.0666 0.0223  -0.0191 -0.0036 16 ASP B O   
328  C CB  . ASP B 17 ? 0.0857 0.1346 0.1119 0.0284  -0.0265 -0.0127 16 ASP B CB  
329  C CG  . ASP B 17 ? 0.1659 0.2159 0.2081 0.0323  -0.0315 -0.0165 16 ASP B CG  
330  O OD1 . ASP B 17 ? 0.1814 0.2253 0.2402 0.0326  -0.0220 -0.0158 16 ASP B OD1 
331  O OD2 . ASP B 17 ? 0.2345 0.2892 0.2715 0.0372  -0.0443 -0.0208 16 ASP B OD2 
332  N N   . LYS B 18 ? 0.0941 0.1328 0.1073 0.0271  -0.0101 -0.0084 17 LYS B N   
333  C CA  . LYS B 18 ? 0.1024 0.1445 0.1109 0.0260  -0.0085 -0.0112 17 LYS B CA  
334  C C   . LYS B 18 ? 0.0617 0.1157 0.0719 0.0203  -0.0122 -0.0150 17 LYS B C   
335  O O   . LYS B 18 ? 0.0940 0.1534 0.1120 0.0202  -0.0156 -0.0190 17 LYS B O   
336  C CB  . LYS B 18 ? 0.0747 0.1080 0.0863 0.0317  0.0018  -0.0130 17 LYS B CB  
337  C CG  . LYS B 18 ? 0.1707 0.2099 0.1829 0.0303  0.0043  -0.0175 17 LYS B CG  
338  C CD  . LYS B 18 ? 0.1497 0.1761 0.1461 0.0407  0.0063  -0.0172 17 LYS B CD  
339  C CE  . LYS B 18 ? 0.0877 0.1168 0.0841 0.0417  0.0102  -0.0216 17 LYS B CE  
340  N NZ  . LYS B 18 ? 0.0965 0.1244 0.0824 0.0477  0.0014  -0.0250 17 LYS B NZ  
341  N N   . GLY B 19 ? 0.0624 0.1193 0.0661 0.0172  -0.0119 -0.0158 18 GLY B N   
342  C CA  . GLY B 19 ? 0.0674 0.1294 0.0657 0.0136  -0.0124 -0.0181 18 GLY B CA  
343  C C   . GLY B 19 ? 0.0730 0.1423 0.0804 0.0138  -0.0122 -0.0247 18 GLY B C   
344  O O   . GLY B 19 ? 0.0978 0.1673 0.1180 0.0154  -0.0073 -0.0273 18 GLY B O   
345  N N   . GLU B 20 ? 0.0919 0.1640 0.0907 0.0138  -0.0158 -0.0281 19 GLU B N   
346  C CA  . GLU B 20 ? 0.0982 0.1788 0.1079 0.0142  -0.0174 -0.0374 19 GLU B CA  
347  C C   . GLU B 20 ? 0.0908 0.1743 0.1038 0.0100  -0.0091 -0.0385 19 GLU B C   
348  O O   . GLU B 20 ? 0.1289 0.2091 0.1330 0.0074  -0.0047 -0.0342 19 GLU B O   
349  C CB  . GLU B 20 ? 0.1548 0.2346 0.1480 0.0199  -0.0272 -0.0426 19 GLU B CB  
350  C CG  . GLU B 20 ? 0.2388 0.3172 0.2307 0.0279  -0.0394 -0.0458 19 GLU B CG  
351  C CD  . GLU B 20 ? 0.1981 0.2872 0.2240 0.0296  -0.0443 -0.0593 19 GLU B CD  
352  O OE1 . GLU B 20 ? 0.3616 0.4558 0.3970 0.0305  -0.0455 -0.0694 19 GLU B OE1 
353  O OE2 . GLU B 20 ? 0.2693 0.3595 0.3144 0.0297  -0.0444 -0.0603 19 GLU B OE2 
354  N N   . HYP B 21 ? 0.0808 0.1704 0.1110 0.0097  -0.0058 -0.0459 20 HYP B N   
355  C CA  . HYP B 21 ? 0.0589 0.1506 0.0910 0.0071  0.0018  -0.0476 20 HYP B CA  
356  C C   . HYP B 21 ? 0.0822 0.1762 0.0991 0.0047  -0.0003 -0.0491 20 HYP B C   
357  O O   . HYP B 21 ? 0.0852 0.1786 0.0913 0.0078  -0.0080 -0.0527 20 HYP B O   
358  C CB  . HYP B 21 ? 0.0517 0.1450 0.1057 0.0071  0.0083  -0.0552 20 HYP B CB  
359  C CG  . HYP B 21 ? 0.1012 0.1913 0.1710 0.0091  0.0071  -0.0573 20 HYP B CG  
360  C CD  . HYP B 21 ? 0.1395 0.2347 0.1946 0.0113  -0.0068 -0.0557 20 HYP B CD  
361  O OD1 . HYP B 21 ? 0.1963 0.2694 0.2643 0.0112  0.0169  -0.0482 20 HYP B OD1 
362  N N   . GLY B 22 ? 0.1085 0.2022 0.1230 0.0016  0.0064  -0.0474 21 GLY B N   
363  C CA  . GLY B 22 ? 0.0720 0.1647 0.0747 -0.0009 0.0094  -0.0489 21 GLY B CA  
364  C C   . GLY B 22 ? 0.1767 0.2750 0.1819 0.0003  0.0069  -0.0573 21 GLY B C   
365  O O   . GLY B 22 ? 0.1254 0.2302 0.1498 0.0010  0.0059  -0.0632 21 GLY B O   
366  N N   . GLU B 23 ? 0.3489 0.1407 0.1909 0.0130  0.0986  0.0287  22 GLU B N   
367  C CA  . GLU B 23 ? 0.3564 0.1540 0.2029 0.0199  0.0803  0.0389  22 GLU B CA  
368  C C   . GLU B 23 ? 0.3842 0.1997 0.2352 0.0073  0.0700  0.0313  22 GLU B C   
369  O O   . GLU B 23 ? 0.2858 0.1038 0.1283 -0.0042 0.0744  0.0199  22 GLU B O   
370  C CB  . GLU B 23 ? 0.3933 0.1763 0.2132 0.0300  0.0707  0.0434  22 GLU B CB  
371  C CG  . GLU B 23 ? 0.4319 0.1925 0.2358 0.0402  0.0830  0.0469  22 GLU B CG  
372  C CD  . GLU B 23 ? 0.5175 0.2742 0.3433 0.0595  0.0805  0.0590  22 GLU B CD  
373  O OE1 . GLU B 23 ? 0.5136 0.2922 0.3774 0.0657  0.0674  0.0606  22 GLU B OE1 
374  O OE2 . GLU B 23 ? 0.5901 0.3278 0.4046 0.0684  0.0917  0.0624  22 GLU B OE2 
375  N N   . LYS B 24 ? 0.2752 0.1121 0.1498 0.0122  0.0506  0.0324  23 LYS B N   
376  C CA  . LYS B 24 ? 0.2841 0.1358 0.1646 0.0030  0.0396  0.0255  23 LYS B CA  
377  C C   . LYS B 24 ? 0.2736 0.1219 0.1292 -0.0035 0.0356  0.0170  23 LYS B C   
378  O O   . LYS B 24 ? 0.2713 0.1094 0.1083 0.0000  0.0359  0.0172  23 LYS B O   
379  C CB  . LYS B 24 ? 0.2461 0.1190 0.1578 0.0086  0.0213  0.0256  23 LYS B CB  
380  C CG  . LYS B 24 ? 0.2522 0.1343 0.1761 -0.0003 0.0157  0.0205  23 LYS B CG  
381  C CD  . LYS B 24 ? 0.3068 0.2091 0.2722 0.0026  0.0045  0.0178  23 LYS B CD  
382  C CE  . LYS B 24 ? 0.2728 0.1751 0.2487 -0.0071 0.0052  0.0139  23 LYS B CE  
383  N NZ  . LYS B 24 ? 0.3465 0.2645 0.3725 -0.0092 0.0065  0.0088  23 LYS B NZ  
384  N N   . GLY B 25 ? 0.2822 0.1357 0.1364 -0.0120 0.0328  0.0086  24 GLY B N   
385  C CA  . GLY B 25 ? 0.2440 0.1009 0.0888 -0.0181 0.0291  -0.0043 24 GLY B CA  
386  C C   . GLY B 25 ? 0.2876 0.1544 0.1374 -0.0159 0.0154  -0.0069 24 GLY B C   
387  O O   . GLY B 25 ? 0.2442 0.1183 0.1065 -0.0099 0.0042  -0.0001 24 GLY B O   
388  N N   . PRO B 26 ? 0.2415 0.1094 0.0851 -0.0218 0.0174  -0.0201 25 PRO B N   
389  C CA  . PRO B 26 ? 0.2427 0.1158 0.0860 -0.0209 0.0078  -0.0249 25 PRO B CA  
390  C C   . PRO B 26 ? 0.3181 0.2079 0.1843 -0.0198 -0.0097 -0.0281 25 PRO B C   
391  O O   . PRO B 26 ? 0.3136 0.2068 0.1900 -0.0194 -0.0136 -0.0273 25 PRO B O   
392  C CB  . PRO B 26 ? 0.3120 0.1842 0.1535 -0.0291 0.0221  -0.0392 25 PRO B CB  
393  C CG  . PRO B 26 ? 0.2846 0.1686 0.1457 -0.0334 0.0274  -0.0459 25 PRO B CG  
394  C CD  . PRO B 26 ? 0.2541 0.1217 0.0982 -0.0305 0.0307  -0.0339 25 PRO B CD  
395  N N   . ARG B 27 ? 0.2778 0.1719 0.1456 -0.0186 -0.0192 -0.0318 26 ARG B N   
396  C CA  . ARG B 27 ? 0.2819 0.1869 0.1713 -0.0179 -0.0332 -0.0354 26 ARG B CA  
397  C C   . ARG B 27 ? 0.2713 0.1819 0.1716 -0.0201 -0.0344 -0.0489 26 ARG B C   
398  O O   . ARG B 27 ? 0.2416 0.1613 0.1473 -0.0228 -0.0239 -0.0593 26 ARG B O   
399  C CB  . ARG B 27 ? 0.2237 0.1312 0.1112 -0.0168 -0.0431 -0.0392 26 ARG B CB  
400  C CG  . ARG B 27 ? 0.2774 0.1939 0.1912 -0.0169 -0.0555 -0.0409 26 ARG B CG  
401  C CD  . ARG B 27 ? 0.3217 0.2412 0.2321 -0.0180 -0.0646 -0.0524 26 ARG B CD  
402  N NE  . ARG B 27 ? 0.3181 0.2453 0.2573 -0.0206 -0.0703 -0.0576 26 ARG B NE  
403  C CZ  . ARG B 27 ? 0.4014 0.3371 0.3500 -0.0219 -0.0777 -0.0648 26 ARG B CZ  
404  N NH1 . ARG B 27 ? 0.3467 0.2846 0.2752 -0.0187 -0.0844 -0.0672 26 ARG B NH1 
405  N NH2 . ARG B 27 ? 0.3842 0.3217 0.3582 -0.0259 -0.0787 -0.0699 26 ARG B NH2 
406  N N   . GLY B 28 ? 0.2779 0.1468 0.1220 0.0152  0.0268  -0.0133 27 GLY B N   
407  C CA  . GLY B 28 ? 0.2719 0.1461 0.1147 0.0114  0.0280  -0.0119 27 GLY B CA  
408  C C   . GLY B 28 ? 0.2764 0.1480 0.1192 0.0109  0.0284  -0.0103 27 GLY B C   
409  O O   . GLY B 28 ? 0.2634 0.1283 0.1014 0.0126  0.0274  -0.0107 27 GLY B O   
410  N N   . LEU B 29 ? 0.2371 0.1199 0.0856 0.0107  0.0290  -0.0115 28 LEU B N   
411  C CA  . LEU B 29 ? 0.3315 0.2182 0.1849 0.0129  0.0328  -0.0127 28 LEU B CA  
412  C C   . LEU B 29 ? 0.2763 0.1529 0.1290 0.0203  0.0319  -0.0110 28 LEU B C   
413  O O   . LEU B 29 ? 0.2618 0.1317 0.1143 0.0225  0.0300  -0.0053 28 LEU B O   
414  C CB  . LEU B 29 ? 0.3023 0.2152 0.1732 0.0135  0.0322  -0.0175 28 LEU B CB  
415  C CG  . LEU B 29 ? 0.3473 0.2711 0.2303 -0.0008 0.0382  -0.0254 28 LEU B CG  
416  C CD1 . LEU B 29 ? 0.3497 0.3054 0.2507 -0.0023 0.0278  -0.0362 28 LEU B CD1 
417  C CD2 . LEU B 29 ? 0.3135 0.2453 0.2066 -0.0056 0.0526  -0.0273 28 LEU B CD2 
418  N N   . HYP B 30 ? 0.2476 0.1196 0.0981 0.0229  0.0363  -0.0169 29 HYP B N   
419  C CA  . HYP B 30 ? 0.2626 0.1179 0.1155 0.0286  0.0369  -0.0214 29 HYP B CA  
420  C C   . HYP B 30 ? 0.3219 0.1739 0.1860 0.0415  0.0375  -0.0138 29 HYP B C   
421  O O   . HYP B 30 ? 0.2934 0.1695 0.1664 0.0495  0.0356  -0.0117 29 HYP B O   
422  C CB  . HYP B 30 ? 0.2908 0.1447 0.1346 0.0314  0.0423  -0.0345 29 HYP B CB  
423  C CG  . HYP B 30 ? 0.3534 0.2182 0.1806 0.0255  0.0447  -0.0313 29 HYP B CG  
424  C CD  . HYP B 30 ? 0.2565 0.1330 0.0978 0.0209  0.0443  -0.0214 29 HYP B CD  
425  O OD1 . HYP B 30 ? 0.3820 0.2446 0.1983 0.0221  0.0353  -0.0310 29 HYP B OD1 
426  N N   . GLY B 31 ? 0.3392 0.1620 0.2038 0.0436  0.0400  -0.0097 30 GLY B N   
427  C CA  . GLY B 31 ? 0.4300 0.2375 0.2964 0.0612  0.0414  0.0033  30 GLY B CA  
428  C C   . GLY B 31 ? 0.5194 0.3296 0.3973 0.0797  0.0436  -0.0057 30 GLY B C   
429  O O   . GLY B 31 ? 0.5106 0.3218 0.3910 0.0755  0.0488  -0.0241 30 GLY B O   
430  N N   . ALA C 2  ? 0.3329 0.2872 0.2797 0.0373  -0.0015 -0.0384 1  ALA C N   
431  C CA  . ALA C 2  ? 0.3171 0.2765 0.2523 0.0411  -0.0015 -0.0213 1  ALA C CA  
432  C C   . ALA C 2  ? 0.2513 0.2148 0.1989 0.0330  0.0009  -0.0190 1  ALA C C   
433  O O   . ALA C 2  ? 0.2521 0.2016 0.2010 0.0253  0.0105  -0.0185 1  ALA C O   
434  C CB  . ALA C 2  ? 0.2111 0.1578 0.1301 0.0439  0.0052  -0.0104 1  ALA C CB  
435  N N   . VAL C 3  ? 0.2308 0.2093 0.1834 0.0363  -0.0066 -0.0173 2  VAL C N   
436  C CA  . VAL C 3  ? 0.1570 0.1410 0.1219 0.0294  -0.0058 -0.0160 2  VAL C CA  
437  C C   . VAL C 3  ? 0.1672 0.1593 0.1254 0.0346  -0.0079 -0.0024 2  VAL C C   
438  O O   . VAL C 3  ? 0.1886 0.1850 0.1373 0.0442  -0.0107 0.0022  2  VAL C O   
439  C CB  . VAL C 3  ? 0.2049 0.1995 0.1891 0.0277  -0.0129 -0.0316 2  VAL C CB  
440  C CG1 . VAL C 3  ? 0.1945 0.1913 0.1943 0.0182  -0.0082 -0.0317 2  VAL C CG1 
441  C CG2 . VAL C 3  ? 0.2820 0.2722 0.2801 0.0246  -0.0124 -0.0493 2  VAL C CG2 
442  N N   . GLY C 4  ? 0.1755 0.1669 0.1389 0.0288  -0.0048 0.0034  3  GLY C N   
443  C CA  . GLY C 4  ? 0.1354 0.1349 0.1000 0.0318  -0.0060 0.0136  3  GLY C CA  
444  C C   . GLY C 4  ? 0.1245 0.1342 0.0957 0.0326  -0.0099 0.0125  3  GLY C C   
445  O O   . GLY C 4  ? 0.1470 0.1597 0.1241 0.0312  -0.0142 0.0022  3  GLY C O   
446  N N   . PRO C 5  ? 0.1228 0.1376 0.0957 0.0356  -0.0083 0.0216  4  PRO C N   
447  C CA  . PRO C 5  ? 0.1326 0.1527 0.1061 0.0389  -0.0104 0.0224  4  PRO C CA  
448  C C   . PRO C 5  ? 0.1305 0.1546 0.1164 0.0304  -0.0126 0.0197  4  PRO C C   
449  O O   . PRO C 5  ? 0.1193 0.1397 0.1108 0.0229  -0.0105 0.0201  4  PRO C O   
450  C CB  . PRO C 5  ? 0.1726 0.1924 0.1457 0.0439  -0.0026 0.0335  4  PRO C CB  
451  C CG  . PRO C 5  ? 0.1382 0.1586 0.1219 0.0396  0.0002  0.0361  4  PRO C CG  
452  C CD  . PRO C 5  ? 0.1151 0.1300 0.0917 0.0373  -0.0037 0.0297  4  PRO C CD  
453  N N   . ARG C 6  ? 0.1433 0.1721 0.1295 0.0340  -0.0169 0.0167  5  ARG C N   
454  C CA  . ARG C 6  ? 0.1353 0.1685 0.1339 0.0271  -0.0184 0.0140  5  ARG C CA  
455  C C   . ARG C 6  ? 0.0943 0.1268 0.0976 0.0225  -0.0135 0.0242  5  ARG C C   
456  O O   . ARG C 6  ? 0.0942 0.1261 0.0960 0.0264  -0.0093 0.0323  5  ARG C O   
457  C CB  . ARG C 6  ? 0.1051 0.1430 0.1008 0.0355  -0.0256 0.0087  5  ARG C CB  
458  C CG  . ARG C 6  ? 0.2166 0.2603 0.2265 0.0295  -0.0274 0.0052  5  ARG C CG  
459  C CD  . ARG C 6  ? 0.1883 0.2392 0.2041 0.0367  -0.0386 -0.0098 5  ARG C CD  
460  N NE  . ARG C 6  ? 0.2486 0.3065 0.2864 0.0279  -0.0387 -0.0172 5  ARG C NE  
461  C CZ  . ARG C 6  ? 0.2080 0.2730 0.2517 0.0344  -0.0472 -0.0248 5  ARG C CZ  
462  N NH1 . ARG C 6  ? 0.1743 0.2373 0.1983 0.0521  -0.0575 -0.0261 5  ARG C NH1 
463  N NH2 . ARG C 6  ? 0.1594 0.2305 0.2261 0.0250  -0.0447 -0.0314 5  ARG C NH2 
464  N N   . GLY C 7  ? 0.0898 0.1211 0.1011 0.0146  -0.0132 0.0221  6  GLY C N   
465  C CA  . GLY C 7  ? 0.0769 0.1064 0.0925 0.0117  -0.0119 0.0284  6  GLY C CA  
466  C C   . GLY C 7  ? 0.0737 0.1093 0.0954 0.0132  -0.0118 0.0329  6  GLY C C   
467  O O   . GLY C 7  ? 0.1194 0.1582 0.1374 0.0180  -0.0130 0.0318  6  GLY C O   
468  N N   . PRO C 8  ? 0.1066 0.1420 0.1368 0.0109  -0.0113 0.0368  7  PRO C N   
469  C CA  . PRO C 8  ? 0.0738 0.1127 0.1121 0.0115  -0.0089 0.0410  7  PRO C CA  
470  C C   . PRO C 8  ? 0.1130 0.1525 0.1503 0.0085  -0.0118 0.0382  7  PRO C C   
471  O O   . PRO C 8  ? 0.0863 0.1226 0.1215 0.0042  -0.0139 0.0330  7  PRO C O   
472  C CB  . PRO C 8  ? 0.0748 0.1147 0.1290 0.0093  -0.0095 0.0417  7  PRO C CB  
473  C CG  . PRO C 8  ? 0.0883 0.1223 0.1352 0.0091  -0.0159 0.0369  7  PRO C CG  
474  C CD  . PRO C 8  ? 0.1200 0.1510 0.1530 0.0104  -0.0138 0.0360  7  PRO C CD  
475  N N   . SER C 9  ? 0.1171 0.1580 0.1555 0.0116  -0.0095 0.0419  8  SER C N   
476  C CA  . SER C 9  ? 0.0615 0.1038 0.1013 0.0096  -0.0125 0.0391  8  SER C CA  
477  C C   . SER C 9  ? 0.1240 0.1639 0.1719 0.0026  -0.0136 0.0387  8  SER C C   
478  O O   . SER C 9  ? 0.1198 0.1582 0.1750 0.0015  -0.0136 0.0407  8  SER C O   
479  C CB  . SER C 9  ? 0.0923 0.1324 0.1269 0.0168  -0.0094 0.0440  8  SER C CB  
480  O OG  . SER C 9  ? 0.2140 0.2481 0.2352 0.0265  -0.0045 0.0481  8  SER C OG  
481  N N   . GLY C 10 ? 0.0536 0.0923 0.1014 -0.0008 -0.0151 0.0342  9  GLY C N   
482  C CA  . GLY C 10 ? 0.0688 0.0996 0.1164 -0.0048 -0.0155 0.0336  9  GLY C CA  
483  C C   . GLY C 10 ? 0.0990 0.1312 0.1543 -0.0047 -0.0168 0.0372  9  GLY C C   
484  O O   . GLY C 10 ? 0.0782 0.1155 0.1388 -0.0021 -0.0144 0.0412  9  GLY C O   
485  N N   . PRO C 11 ? 0.0554 0.0793 0.1090 -0.0060 -0.0198 0.0356  10 PRO C N   
486  C CA  . PRO C 11 ? 0.0573 0.0823 0.1213 -0.0063 -0.0218 0.0367  10 PRO C CA  
487  C C   . PRO C 11 ? 0.1196 0.1463 0.1832 -0.0076 -0.0187 0.0380  10 PRO C C   
488  O O   . PRO C 11 ? 0.0513 0.0795 0.1098 -0.0081 -0.0165 0.0357  10 PRO C O   
489  C CB  . PRO C 11 ? 0.0843 0.0968 0.1405 -0.0040 -0.0290 0.0320  10 PRO C CB  
490  C CG  . PRO C 11 ? 0.1974 0.1967 0.2319 -0.0031 -0.0255 0.0307  10 PRO C CG  
491  C CD  . PRO C 11 ? 0.0938 0.1024 0.1316 -0.0049 -0.0209 0.0322  10 PRO C CD  
492  N N   . GLN C 12 ? 0.0621 0.0891 0.1349 -0.0079 -0.0188 0.0399  11 GLN C N   
493  C CA  . GLN C 12 ? 0.0547 0.0823 0.1264 -0.0075 -0.0164 0.0413  11 GLN C CA  
494  C C   . GLN C 12 ? 0.1334 0.1537 0.1980 -0.0096 -0.0181 0.0373  11 GLN C C   
495  O O   . GLN C 12 ? 0.1065 0.1166 0.1652 -0.0096 -0.0217 0.0349  11 GLN C O   
496  C CB  . GLN C 12 ? 0.1347 0.1613 0.2176 -0.0071 -0.0130 0.0452  11 GLN C CB  
497  C CG  . GLN C 12 ? 0.0937 0.1177 0.1736 -0.0057 -0.0113 0.0467  11 GLN C CG  
498  C CD  . GLN C 12 ? 0.1067 0.1254 0.1977 -0.0057 -0.0048 0.0507  11 GLN C CD  
499  O OE1 . GLN C 12 ? 0.0884 0.1067 0.1973 -0.0093 -0.0041 0.0484  11 GLN C OE1 
500  N NE2 . GLN C 12 ? 0.1275 0.1411 0.2100 -0.0006 0.0003  0.0551  11 GLN C NE2 
501  N N   . GLY C 13 ? 0.1380 0.1615 0.2020 -0.0095 -0.0154 0.0354  12 GLY C N   
502  C CA  . GLY C 13 ? 0.0587 0.0737 0.1183 -0.0118 -0.0122 0.0314  12 GLY C CA  
503  C C   . GLY C 13 ? 0.0722 0.0780 0.1285 -0.0114 -0.0144 0.0330  12 GLY C C   
504  O O   . GLY C 13 ? 0.0632 0.0714 0.1260 -0.0105 -0.0183 0.0359  12 GLY C O   
505  N N   . ILE C 14 ? 0.1133 0.1061 0.1601 -0.0119 -0.0098 0.0303  13 ILE C N   
506  C CA  . ILE C 14 ? 0.1292 0.1101 0.1685 -0.0098 -0.0130 0.0307  13 ILE C CA  
507  C C   . ILE C 14 ? 0.1035 0.0945 0.1556 -0.0105 -0.0132 0.0323  13 ILE C C   
508  O O   . ILE C 14 ? 0.1129 0.1167 0.1749 -0.0106 -0.0106 0.0319  13 ILE C O   
509  C CB  . ILE C 14 ? 0.1319 0.0892 0.1500 -0.0076 -0.0055 0.0284  13 ILE C CB  
510  C CG1 . ILE C 14 ? 0.2000 0.1603 0.2272 -0.0118 0.0081  0.0256  13 ILE C CG1 
511  C CG2 . ILE C 14 ? 0.2664 0.2052 0.2624 -0.0028 -0.0061 0.0276  13 ILE C CG2 
512  C CD1 . ILE C 14 ? 0.2029 0.1347 0.2094 -0.0100 0.0225  0.0241  13 ILE C CD1 
513  N N   . ARG C 15 ? 0.0932 0.0770 0.1441 -0.0091 -0.0177 0.0327  14 ARG C N   
514  C CA  . ARG C 15 ? 0.1266 0.1154 0.1866 -0.0090 -0.0170 0.0348  14 ARG C CA  
515  C C   . ARG C 15 ? 0.0981 0.0841 0.1542 -0.0085 -0.0112 0.0327  14 ARG C C   
516  O O   . ARG C 15 ? 0.1064 0.0795 0.1509 -0.0086 -0.0061 0.0298  14 ARG C O   
517  C CB  . ARG C 15 ? 0.1771 0.1582 0.2411 -0.0084 -0.0232 0.0335  14 ARG C CB  
518  C CG  . ARG C 15 ? 0.2086 0.1861 0.2758 -0.0079 -0.0218 0.0343  14 ARG C CG  
519  C CD  . ARG C 15 ? 0.2145 0.1842 0.2896 -0.0075 -0.0296 0.0293  14 ARG C CD  
520  N NE  . ARG C 15 ? 0.2309 0.2070 0.3224 -0.0090 -0.0336 0.0264  14 ARG C NE  
521  C CZ  . ARG C 15 ? 0.1864 0.1642 0.3028 -0.0110 -0.0364 0.0211  14 ARG C CZ  
522  N NH1 . ARG C 15 ? 0.1794 0.1517 0.3054 -0.0118 -0.0360 0.0186  14 ARG C NH1 
523  N NH2 . ARG C 15 ? 0.1726 0.1581 0.3086 -0.0125 -0.0385 0.0170  14 ARG C NH2 
524  N N   . GLY C 16 ? 0.0755 0.0711 0.1405 -0.0066 -0.0103 0.0336  15 GLY C N   
525  C CA  . GLY C 16 ? 0.0779 0.0748 0.1464 -0.0056 -0.0056 0.0292  15 GLY C CA  
526  C C   . GLY C 16 ? 0.1619 0.1429 0.2210 -0.0057 -0.0033 0.0293  15 GLY C C   
527  O O   . GLY C 16 ? 0.1488 0.1200 0.2008 -0.0052 -0.0084 0.0318  15 GLY C O   
528  N N   . ASP C 17 ? 0.1965 0.1265 0.1778 -0.0393 0.0082  0.0451  16 ASP C N   
529  C CA  . ASP C 17 ? 0.1619 0.0938 0.1355 -0.0407 0.0136  0.0471  16 ASP C CA  
530  C C   . ASP C 17 ? 0.1758 0.1195 0.1485 -0.0402 0.0052  0.0440  16 ASP C C   
531  O O   . ASP C 17 ? 0.1332 0.0817 0.1140 -0.0410 -0.0009 0.0402  16 ASP C O   
532  C CB  . ASP C 17 ? 0.1996 0.1286 0.1886 -0.0503 0.0264  0.0447  16 ASP C CB  
533  C CG  . ASP C 17 ? 0.1917 0.1100 0.1879 -0.0539 0.0333  0.0459  16 ASP C CG  
534  O OD1 . ASP C 17 ? 0.2493 0.1591 0.2278 -0.0475 0.0321  0.0554  16 ASP C OD1 
535  O OD2 . ASP C 17 ? 0.2600 0.1791 0.2847 -0.0610 0.0412  0.0335  16 ASP C OD2 
536  N N   . LYS C 18 ? 0.1493 0.0927 0.1093 -0.0378 0.0033  0.0469  17 LYS C N   
537  C CA  . LYS C 18 ? 0.1677 0.1223 0.1315 -0.0390 -0.0027 0.0444  17 LYS C CA  
538  C C   . LYS C 18 ? 0.1533 0.1140 0.1239 -0.0475 0.0040  0.0384  17 LYS C C   
539  O O   . LYS C 18 ? 0.1618 0.1151 0.1326 -0.0521 0.0163  0.0374  17 LYS C O   
540  C CB  . LYS C 18 ? 0.1496 0.0976 0.0977 -0.0357 -0.0112 0.0488  17 LYS C CB  
541  C CG  . LYS C 18 ? 0.2086 0.1717 0.1707 -0.0350 -0.0179 0.0436  17 LYS C CG  
542  C CD  . LYS C 18 ? 0.2750 0.2320 0.2213 -0.0272 -0.0286 0.0404  17 LYS C CD  
543  C CE  . LYS C 18 ? 0.1788 0.1488 0.1574 -0.0210 -0.0427 0.0323  17 LYS C CE  
544  N NZ  . LYS C 18 ? 0.2907 0.2781 0.2964 -0.0268 -0.0343 0.0297  17 LYS C NZ  
545  N N   . GLY C 19 ? 0.1408 0.1142 0.1218 -0.0467 -0.0015 0.0324  18 GLY C N   
546  C CA  . GLY C 19 ? 0.1253 0.1087 0.1188 -0.0509 0.0013  0.0211  18 GLY C CA  
547  C C   . GLY C 19 ? 0.1570 0.1403 0.1418 -0.0560 0.0088  0.0229  18 GLY C C   
548  O O   . GLY C 19 ? 0.1516 0.1290 0.1170 -0.0519 0.0053  0.0305  18 GLY C O   
549  N N   . GLU C 20 ? 0.1233 0.1113 0.1249 -0.0627 0.0184  0.0133  19 GLU C N   
550  C CA  . GLU C 20 ? 0.1428 0.1261 0.1324 -0.0656 0.0299  0.0152  19 GLU C CA  
551  C C   . GLU C 20 ? 0.1648 0.1641 0.1516 -0.0617 0.0171  0.0115  19 GLU C C   
552  O O   . GLU C 20 ? 0.1106 0.1232 0.1106 -0.0583 0.0054  0.0054  19 GLU C O   
553  C CB  . GLU C 20 ? 0.2504 0.2339 0.2685 -0.0694 0.0462  0.0054  19 GLU C CB  
554  C CG  . GLU C 20 ? 0.2473 0.2525 0.3005 -0.0695 0.0360  -0.0127 19 GLU C CG  
555  C CD  . GLU C 20 ? 0.2804 0.2911 0.3611 -0.0663 0.0249  -0.0252 19 GLU C CD  
556  O OE1 . GLU C 20 ? 0.2584 0.2682 0.3282 -0.0633 0.0121  -0.0231 19 GLU C OE1 
557  O OE2 . GLU C 20 ? 0.2414 0.2553 0.3551 -0.0653 0.0296  -0.0393 19 GLU C OE2 
558  N N   . HYP C 21 ? 0.1359 0.1286 0.1010 -0.0593 0.0204  0.0152  20 HYP C N   
559  C CA  . HYP C 21 ? 0.1811 0.1892 0.1482 -0.0560 0.0087  0.0103  20 HYP C CA  
560  C C   . HYP C 21 ? 0.1011 0.1281 0.0954 -0.0615 0.0098  -0.0024 20 HYP C C   
561  O O   . HYP C 21 ? 0.1310 0.1578 0.1442 -0.0676 0.0214  -0.0101 20 HYP C O   
562  C CB  . HYP C 21 ? 0.1846 0.1776 0.1196 -0.0494 0.0113  0.0137  20 HYP C CB  
563  C CG  . HYP C 21 ? 0.2953 0.2575 0.1965 -0.0427 0.0188  0.0241  20 HYP C CG  
564  C CD  . HYP C 21 ? 0.2426 0.2069 0.1702 -0.0541 0.0331  0.0246  20 HYP C CD  
565  O OD1 . HYP C 21 ? 0.3267 0.2829 0.2146 -0.0311 -0.0012 0.0264  20 HYP C OD1 
566  N N   . GLY C 22 ? 0.1003 0.1404 0.1005 -0.0572 -0.0018 -0.0062 21 GLY C N   
567  C CA  . GLY C 22 ? 0.0787 0.1259 0.0931 -0.0511 -0.0034 -0.0166 21 GLY C CA  
568  C C   . GLY C 22 ? 0.1237 0.1752 0.1392 -0.0567 0.0047  -0.0214 21 GLY C C   
569  O O   . GLY C 22 ? 0.1137 0.1599 0.1109 -0.0637 0.0119  -0.0158 21 GLY C O   
570  N N   . GLU C 23 ? 0.0820 0.1820 0.1355 -0.0371 0.0085  -0.0203 22 GLU C N   
571  C CA  . GLU C 23 ? 0.1117 0.1825 0.1440 -0.0351 0.0302  -0.0180 22 GLU C CA  
572  C C   . GLU C 23 ? 0.1793 0.2219 0.1699 -0.0356 0.0274  -0.0167 22 GLU C C   
573  O O   . GLU C 23 ? 0.1569 0.2085 0.1461 -0.0376 0.0120  -0.0185 22 GLU C O   
574  C CB  . GLU C 23 ? 0.1788 0.2718 0.2502 -0.0280 0.0445  -0.0222 22 GLU C CB  
575  C CG  . GLU C 23 ? 0.0749 0.1908 0.1892 -0.0250 0.0446  -0.0247 22 GLU C CG  
576  C CD  . GLU C 23 ? 0.1338 0.2307 0.2461 -0.0315 0.0652  -0.0234 22 GLU C CD  
577  O OE1 . GLU C 23 ? 0.1808 0.2493 0.2736 -0.0322 0.0894  -0.0217 22 GLU C OE1 
578  O OE2 . GLU C 23 ? 0.2525 0.3543 0.3740 -0.0339 0.0568  -0.0220 22 GLU C OE2 
579  N N   . LYS C 24 ? 0.2150 0.2213 0.1720 -0.0339 0.0442  -0.0141 23 LYS C N   
580  C CA  . LYS C 24 ? 0.2302 0.2090 0.1498 -0.0329 0.0426  -0.0141 23 LYS C CA  
581  C C   . LYS C 24 ? 0.2662 0.2651 0.2072 -0.0293 0.0445  -0.0161 23 LYS C C   
582  O O   . LYS C 24 ? 0.2069 0.2285 0.1815 -0.0238 0.0550  -0.0178 23 LYS C O   
583  C CB  . LYS C 24 ? 0.3158 0.2505 0.1940 -0.0291 0.0626  -0.0109 23 LYS C CB  
584  C CG  . LYS C 24 ? 0.3647 0.2654 0.1978 -0.0270 0.0569  -0.0121 23 LYS C CG  
585  C CD  . LYS C 24 ? 0.4279 0.2821 0.2156 -0.0208 0.0780  -0.0088 23 LYS C CD  
586  C CE  . LYS C 24 ? 0.4997 0.3085 0.2293 -0.0176 0.0641  -0.0098 23 LYS C CE  
587  N NZ  . LYS C 24 ? 0.4447 0.2390 0.1545 -0.0154 0.0479  -0.0150 23 LYS C NZ  
588  N N   . GLY C 25 ? 0.2309 0.2196 0.1529 -0.0313 0.0337  -0.0174 24 GLY C N   
589  C CA  . GLY C 25 ? 0.1875 0.1869 0.1207 -0.0274 0.0353  -0.0183 24 GLY C CA  
590  C C   . GLY C 25 ? 0.2758 0.2625 0.2024 -0.0192 0.0539  -0.0181 24 GLY C C   
591  O O   . GLY C 25 ? 0.3329 0.2995 0.2441 -0.0178 0.0681  -0.0171 24 GLY C O   
592  N N   . PRO C 26 ? 0.2657 0.2607 0.2014 -0.0125 0.0550  -0.0196 25 PRO C N   
593  C CA  . PRO C 26 ? 0.2506 0.2348 0.1820 -0.0031 0.0705  -0.0215 25 PRO C CA  
594  C C   . PRO C 26 ? 0.3423 0.2872 0.2297 -0.0051 0.0754  -0.0199 25 PRO C C   
595  O O   . PRO C 26 ? 0.2597 0.1872 0.1229 -0.0127 0.0641  -0.0189 25 PRO C O   
596  C CB  . PRO C 26 ? 0.2502 0.2518 0.1990 0.0068  0.0651  -0.0242 25 PRO C CB  
597  C CG  . PRO C 26 ? 0.2281 0.2352 0.1735 -0.0002 0.0500  -0.0211 25 PRO C CG  
598  C CD  . PRO C 26 ? 0.2502 0.2523 0.1873 -0.0136 0.0433  -0.0193 25 PRO C CD  
599  N N   . ARG C 27 ? 0.3427 0.2742 0.2229 0.0024  0.0921  -0.0215 26 ARG C N   
600  C CA  . ARG C 27 ? 0.3224 0.2151 0.1591 0.0030  0.0976  -0.0206 26 ARG C CA  
601  C C   . ARG C 27 ? 0.3372 0.2210 0.1610 0.0040  0.0879  -0.0212 26 ARG C C   
602  O O   . ARG C 27 ? 0.3171 0.2198 0.1619 0.0098  0.0850  -0.0223 26 ARG C O   
603  C CB  . ARG C 27 ? 0.3263 0.2103 0.1650 0.0113  0.1181  -0.0223 26 ARG C CB  
604  C CG  . ARG C 27 ? 0.4901 0.3418 0.2958 0.0149  0.1194  -0.0211 26 ARG C CG  
605  C CD  . ARG C 27 ? 0.4566 0.3052 0.2733 0.0214  0.1375  -0.0222 26 ARG C CD  
606  N NE  . ARG C 27 ? 0.4840 0.3132 0.2862 0.0176  0.1463  -0.0177 26 ARG C NE  
607  C CZ  . ARG C 27 ? 0.5494 0.3420 0.3155 0.0199  0.1515  -0.0143 26 ARG C CZ  
608  N NH1 . ARG C 27 ? 0.6010 0.3751 0.3450 0.0248  0.1487  -0.0151 26 ARG C NH1 
609  N NH2 . ARG C 27 ? 0.5843 0.3554 0.3342 0.0184  0.1598  -0.0101 26 ARG C NH2 
610  N N   . GLY C 28 ? 0.2454 0.2174 0.1258 0.0111  -0.0391 -0.0382 27 GLY C N   
611  C CA  . GLY C 28 ? 0.1978 0.1740 0.0784 0.0068  -0.0420 -0.0384 27 GLY C CA  
612  C C   . GLY C 28 ? 0.2050 0.1792 0.0786 0.0128  -0.0415 -0.0376 27 GLY C C   
613  O O   . GLY C 28 ? 0.2435 0.2174 0.1277 0.0175  -0.0323 -0.0325 27 GLY C O   
614  N N   . LEU C 29 ? 0.2351 0.2117 0.1106 0.0108  -0.0412 -0.0367 28 LEU C N   
615  C CA  . LEU C 29 ? 0.2711 0.2454 0.1371 0.0200  -0.0392 -0.0338 28 LEU C CA  
616  C C   . LEU C 29 ? 0.2353 0.1929 0.0902 0.0237  -0.0296 -0.0305 28 LEU C C   
617  O O   . LEU C 29 ? 0.3357 0.2790 0.1768 0.0233  -0.0303 -0.0358 28 LEU C O   
618  C CB  . LEU C 29 ? 0.2899 0.2594 0.1466 0.0240  -0.0365 -0.0320 28 LEU C CB  
619  C CG  . LEU C 29 ? 0.2905 0.2732 0.1519 0.0284  -0.0415 -0.0312 28 LEU C CG  
620  C CD1 . LEU C 29 ? 0.3644 0.3286 0.2010 0.0397  -0.0304 -0.0259 28 LEU C CD1 
621  C CD2 . LEU C 29 ? 0.3388 0.3399 0.2096 0.0393  -0.0515 -0.0333 28 LEU C CD2 
622  N N   . HYP C 30 ? 0.2555 0.2153 0.1161 0.0304  -0.0224 -0.0237 29 HYP C N   
623  C CA  . HYP C 30 ? 0.2493 0.1900 0.0963 0.0358  -0.0105 -0.0198 29 HYP C CA  
624  C C   . HYP C 30 ? 0.3128 0.2353 0.1443 0.0346  -0.0094 -0.0269 29 HYP C C   
625  O O   . HYP C 30 ? 0.2644 0.1892 0.1037 0.0306  -0.0105 -0.0295 29 HYP C O   
626  C CB  . HYP C 30 ? 0.2503 0.1996 0.1135 0.0433  -0.0031 -0.0114 29 HYP C CB  
627  C CG  . HYP C 30 ? 0.2779 0.2547 0.1735 0.0430  -0.0138 -0.0148 29 HYP C CG  
628  C CD  . HYP C 30 ? 0.2792 0.2599 0.1625 0.0368  -0.0262 -0.0216 29 HYP C CD  
629  O OD1 . HYP C 30 ? 0.3350 0.3155 0.2594 0.0412  -0.0059 -0.0143 29 HYP C OD1 
630  N N   . GLY C 31 ? 0.3211 0.2238 0.1350 0.0401  -0.0051 -0.0314 30 GLY C N   
631  C CA  . GLY C 31 ? 0.3460 0.2332 0.1590 0.0392  -0.0058 -0.0450 30 GLY C CA  
632  C C   . GLY C 31 ? 0.3038 0.1856 0.1274 0.0406  0.0103  -0.0367 30 GLY C C   
633  O O   . GLY C 31 ? 0.4076 0.2784 0.2471 0.0372  0.0164  -0.0457 30 GLY C O   
634  C C   . ACE D 1  ? 0.3645 0.2620 0.2744 -0.0733 0.1548  0.0328  0  ACE D C   
635  O O   . ACE D 1  ? 0.5374 0.2779 0.1694 0.0914  0.0867  0.0390  0  ACE D O   
636  C CH3 . ACE D 1  ? 0.5305 0.2803 0.1704 0.0996  0.0877  0.0420  0  ACE D CH3 
637  N N   . PRO D 2  ? 0.4721 0.2070 0.2223 -0.0717 0.1057  -0.0290 1  PRO D N   
638  C CA  . PRO D 2  ? 0.4549 0.2012 0.2105 -0.0711 0.1055  -0.0325 1  PRO D CA  
639  C C   . PRO D 2  ? 0.5082 0.2560 0.2654 -0.0687 0.1038  -0.0314 1  PRO D C   
640  O O   . PRO D 2  ? 0.4496 0.1900 0.2036 -0.0695 0.1036  -0.0289 1  PRO D O   
641  C CB  . PRO D 2  ? 0.4068 0.1546 0.1618 -0.0774 0.1088  -0.0362 1  PRO D CB  
642  C CG  . PRO D 2  ? 0.4160 0.1491 0.1628 -0.0814 0.1107  -0.0332 1  PRO D CG  
643  C CD  . PRO D 2  ? 0.4924 0.2214 0.2379 -0.0772 0.1085  -0.0300 1  PRO D CD  
644  N N   . VAL D 3  ? 0.4487 0.2056 0.2098 -0.0653 0.1024  -0.0335 2  VAL D N   
645  C CA  . VAL D 3  ? 0.4015 0.1598 0.1640 -0.0629 0.1010  -0.0325 2  VAL D CA  
646  C C   . VAL D 3  ? 0.3935 0.1528 0.1560 -0.0671 0.1020  -0.0340 2  VAL D C   
647  O O   . VAL D 3  ? 0.4889 0.2529 0.2526 -0.0710 0.1041  -0.0378 2  VAL D O   
648  C CB  . VAL D 3  ? 0.3871 0.1532 0.1513 -0.0577 0.0991  -0.0347 2  VAL D CB  
649  C CG1 . VAL D 3  ? 0.4102 0.1773 0.1752 -0.0556 0.0979  -0.0338 2  VAL D CG1 
650  C CG2 . VAL D 3  ? 0.3892 0.1505 0.1504 -0.0537 0.0987  -0.0326 2  VAL D CG2 
651  N N   . GLY D 4  ? 0.3898 0.1445 0.1510 -0.0666 0.1012  -0.0315 3  GLY D N   
652  C CA  . GLY D 4  ? 0.4309 0.1847 0.1906 -0.0701 0.1021  -0.0325 3  GLY D CA  
653  C C   . GLY D 4  ? 0.4337 0.1992 0.1984 -0.0703 0.1024  -0.0369 3  GLY D C   
654  O O   . GLY D 4  ? 0.3855 0.1596 0.1540 -0.0660 0.1005  -0.0387 3  GLY D O   
655  N N   . ALA D 5  ? 0.4368 0.2017 0.2001 -0.0752 0.1048  -0.0389 4  ALA D N   
656  C CA  . ALA D 5  ? 0.4113 0.1883 0.1800 -0.0758 0.1055  -0.0440 4  ALA D CA  
657  C C   . ALA D 5  ? 0.3865 0.1682 0.1576 -0.0704 0.1020  -0.0430 4  ALA D C   
658  O O   . ALA D 5  ? 0.4387 0.2130 0.2070 -0.0683 0.1002  -0.0386 4  ALA D O   
659  C CB  . ALA D 5  ? 0.4643 0.2373 0.2303 -0.0832 0.1101  -0.0463 4  ALA D CB  
660  N N   . ARG D 6  ? 0.4185 0.2132 0.1949 -0.0679 0.1009  -0.0481 5  ARG D N   
661  C CA  . ARG D 6  ? 0.3869 0.1856 0.1646 -0.0629 0.0977  -0.0477 5  ARG D CA  
662  C C   . ARG D 6  ? 0.3882 0.1820 0.1642 -0.0662 0.0988  -0.0458 5  ARG D C   
663  O O   . ARG D 6  ? 0.4505 0.2423 0.2253 -0.0721 0.1022  -0.0476 5  ARG D O   
664  C CB  . ARG D 6  ? 0.3771 0.1905 0.1598 -0.0587 0.0957  -0.0547 5  ARG D CB  
665  C CG  . ARG D 6  ? 0.3742 0.1901 0.1563 -0.0521 0.0917  -0.0542 5  ARG D CG  
666  C CD  . ARG D 6  ? 0.4235 0.2538 0.2101 -0.0479 0.0891  -0.0626 5  ARG D CD  
667  N NE  . ARG D 6  ? 0.3737 0.2046 0.1577 -0.0407 0.0848  -0.0622 5  ARG D NE  
668  C CZ  . ARG D 6  ? 0.4432 0.2848 0.2292 -0.0342 0.0805  -0.0698 5  ARG D CZ  
669  N NH1 . ARG D 6  ? 0.4790 0.3332 0.2713 -0.0335 0.0797  -0.0794 5  ARG D NH1 
670  N NH2 . ARG D 6  ? 0.4329 0.2717 0.2145 -0.0282 0.0769  -0.0684 5  ARG D NH2 
671  N N   . GLY D 7  ? 0.1839 0.1496 0.1701 0.0143  0.0623  -0.0403 6  GLY D N   
672  C CA  . GLY D 7  ? 0.1740 0.1410 0.1647 0.0105  0.0646  -0.0307 6  GLY D CA  
673  C C   . GLY D 7  ? 0.1787 0.1458 0.1775 0.0055  0.0627  -0.0328 6  GLY D C   
674  O O   . GLY D 7  ? 0.2623 0.2307 0.2653 0.0047  0.0588  -0.0418 6  GLY D O   
675  N N   . PRO D 8  ? 0.1263 0.0913 0.1274 0.0030  0.0647  -0.0253 7  PRO D N   
676  C CA  . PRO D 8  ? 0.1410 0.1054 0.1487 -0.0015 0.0640  -0.0263 7  PRO D CA  
677  C C   . PRO D 8  ? 0.1778 0.1502 0.1821 -0.0008 0.0585  -0.0268 7  PRO D C   
678  O O   . PRO D 8  ? 0.1266 0.1038 0.1225 0.0027  0.0567  -0.0230 7  PRO D O   
679  C CB  . PRO D 8  ? 0.1623 0.1191 0.1671 -0.0012 0.0673  -0.0177 7  PRO D CB  
680  C CG  . PRO D 8  ? 0.1840 0.1434 0.1817 0.0040  0.0663  -0.0123 7  PRO D CG  
681  C CD  . PRO D 8  ? 0.1695 0.1311 0.1669 0.0055  0.0672  -0.0169 7  PRO D CD  
682  N N   . ALA D 9  ? 0.1635 0.1369 0.1756 -0.0046 0.0568  -0.0313 8  ALA D N   
683  C CA  . ALA D 9  ? 0.1585 0.1380 0.1675 -0.0041 0.0520  -0.0316 8  ALA D CA  
684  C C   . ALA D 9  ? 0.1532 0.1337 0.1565 -0.0035 0.0521  -0.0212 8  ALA D C   
685  O O   . ALA D 9  ? 0.0932 0.0684 0.0967 -0.0036 0.0544  -0.0160 8  ALA D O   
686  C CB  . ALA D 9  ? 0.2009 0.1821 0.2229 -0.0083 0.0496  -0.0391 8  ALA D CB  
687  N N   . GLY D 10 ? 0.0909 0.0774 0.0886 -0.0020 0.0492  -0.0187 9  GLY D N   
688  C CA  . GLY D 10 ? 0.0854 0.0751 0.0824 -0.0021 0.0476  -0.0108 9  GLY D CA  
689  C C   . GLY D 10 ? 0.1194 0.1068 0.1207 -0.0049 0.0464  -0.0113 9  GLY D C   
690  O O   . GLY D 10 ? 0.0793 0.0637 0.0864 -0.0077 0.0474  -0.0176 9  GLY D O   
691  N N   . PRO D 11 ? 0.0874 0.0761 0.0877 -0.0041 0.0446  -0.0056 10 PRO D N   
692  C CA  . PRO D 11 ? 0.0911 0.0763 0.0923 -0.0056 0.0439  -0.0059 10 PRO D CA  
693  C C   . PRO D 11 ? 0.0672 0.0579 0.0717 -0.0088 0.0410  -0.0087 10 PRO D C   
694  O O   . PRO D 11 ? 0.0948 0.0912 0.0982 -0.0090 0.0398  -0.0091 10 PRO D O   
695  C CB  . PRO D 11 ? 0.0735 0.0586 0.0711 -0.0024 0.0433  -0.0001 10 PRO D CB  
696  C CG  . PRO D 11 ? 0.0731 0.0663 0.0739 -0.0010 0.0426  0.0028  10 PRO D CG  
697  C CD  . PRO D 11 ? 0.1265 0.1191 0.1263 -0.0011 0.0443  -0.0001 10 PRO D CD  
698  N N   . GLN D 12 ? 0.0770 0.0641 0.0840 -0.0106 0.0412  -0.0107 11 GLN D N   
699  C CA  . GLN D 12 ? 0.0613 0.0538 0.0732 -0.0135 0.0380  -0.0140 11 GLN D CA  
700  C C   . GLN D 12 ? 0.1352 0.1328 0.1432 -0.0127 0.0316  -0.0077 11 GLN D C   
701  O O   . GLN D 12 ? 0.1209 0.1181 0.1268 -0.0110 0.0314  -0.0025 11 GLN D O   
702  C CB  . GLN D 12 ? 0.0790 0.0656 0.0950 -0.0150 0.0403  -0.0168 11 GLN D CB  
703  C CG  . GLN D 12 ? 0.0885 0.0807 0.1104 -0.0171 0.0344  -0.0199 11 GLN D CG  
704  C CD  . GLN D 12 ? 0.1143 0.1010 0.1434 -0.0187 0.0394  -0.0242 11 GLN D CD  
705  O OE1 . GLN D 12 ? 0.1453 0.1205 0.1669 -0.0168 0.0448  -0.0207 11 GLN D OE1 
706  N NE2 . GLN D 12 ? 0.1088 0.1020 0.1490 -0.0196 0.0346  -0.0306 11 GLN D NE2 
707  N N   . GLY D 13 ? 0.0561 0.0577 0.0643 -0.0132 0.0260  -0.0089 12 GLY D N   
708  C CA  . GLY D 13 ? 0.0647 0.0691 0.0715 -0.0132 0.0220  -0.0032 12 GLY D CA  
709  C C   . GLY D 13 ? 0.0986 0.1026 0.1089 -0.0146 0.0188  -0.0022 12 GLY D C   
710  O O   . GLY D 13 ? 0.0509 0.0510 0.0619 -0.0150 0.0207  -0.0054 12 GLY D O   
711  N N   . PRO D 14 ? 0.0882 0.0947 0.1009 -0.0151 0.0151  0.0020  13 PRO D N   
712  C CA  . PRO D 14 ? 0.0469 0.0527 0.0627 -0.0159 0.0106  0.0020  13 PRO D CA  
713  C C   . PRO D 14 ? 0.0566 0.0608 0.0722 -0.0171 0.0076  -0.0017 13 PRO D C   
714  O O   . PRO D 14 ? 0.0678 0.0725 0.0819 -0.0169 0.0062  -0.0035 13 PRO D O   
715  C CB  . PRO D 14 ? 0.0717 0.0811 0.0949 -0.0166 0.0082  0.0065  13 PRO D CB  
716  C CG  . PRO D 14 ? 0.0618 0.0715 0.0827 -0.0166 0.0128  0.0095  13 PRO D CG  
717  C CD  . PRO D 14 ? 0.0538 0.0624 0.0675 -0.0148 0.0167  0.0069  13 PRO D CD  
718  N N   . ARG D 15 ? 0.0680 0.0692 0.0840 -0.0171 0.0059  -0.0035 14 ARG D N   
719  C CA  . ARG D 15 ? 0.0592 0.0594 0.0777 -0.0181 0.0036  -0.0076 14 ARG D CA  
720  C C   . ARG D 15 ? 0.1201 0.1225 0.1404 -0.0187 -0.0025 -0.0053 14 ARG D C   
721  O O   . ARG D 15 ? 0.0659 0.0691 0.0878 -0.0191 -0.0041 -0.0006 14 ARG D O   
722  C CB  . ARG D 15 ? 0.1173 0.1116 0.1333 -0.0171 0.0046  -0.0093 14 ARG D CB  
723  C CG  . ARG D 15 ? 0.0673 0.0605 0.0886 -0.0181 0.0044  -0.0144 14 ARG D CG  
724  C CD  . ARG D 15 ? 0.0693 0.0539 0.0852 -0.0163 0.0082  -0.0158 14 ARG D CD  
725  N NE  . ARG D 15 ? 0.1104 0.0924 0.1195 -0.0140 0.0015  -0.0129 14 ARG D NE  
726  C CZ  . ARG D 15 ? 0.1173 0.0917 0.1145 -0.0095 0.0017  -0.0113 14 ARG D CZ  
727  N NH1 . ARG D 15 ? 0.1495 0.1166 0.1375 -0.0067 0.0097  -0.0103 14 ARG D NH1 
728  N NH2 . ARG D 15 ? 0.0838 0.0568 0.0781 -0.0069 -0.0071 -0.0112 14 ARG D NH2 
729  N N   . GLY D 16 ? 0.1001 0.1025 0.1217 -0.0181 -0.0054 -0.0093 15 GLY D N   
730  C CA  . GLY D 16 ? 0.0763 0.0772 0.0962 -0.0170 -0.0107 -0.0069 15 GLY D CA  
731  C C   . GLY D 16 ? 0.0559 0.0551 0.0797 -0.0186 -0.0135 -0.0052 15 GLY D C   
732  O O   . GLY D 16 ? 0.0791 0.0779 0.1050 -0.0194 -0.0128 -0.0071 15 GLY D O   
733  N N   . ASP D 17 ? 0.1161 0.0768 0.1206 0.0032  -0.0064 -0.0196 16 ASP D N   
734  C CA  . ASP D 17 ? 0.1699 0.1387 0.1895 0.0028  -0.0100 -0.0199 16 ASP D CA  
735  C C   . ASP D 17 ? 0.1024 0.0722 0.1037 0.0035  -0.0199 -0.0147 16 ASP D C   
736  O O   . ASP D 17 ? 0.1432 0.1080 0.1258 0.0019  -0.0201 -0.0097 16 ASP D O   
737  C CB  . ASP D 17 ? 0.1549 0.1190 0.1806 -0.0001 0.0053  -0.0195 16 ASP D CB  
738  C CG  . ASP D 17 ? 0.2600 0.2323 0.3126 -0.0005 0.0001  -0.0213 16 ASP D CG  
739  O OD1 . ASP D 17 ? 0.2828 0.2615 0.3620 0.0026  -0.0125 -0.0263 16 ASP D OD1 
740  O OD2 . ASP D 17 ? 0.3256 0.2946 0.3723 -0.0032 0.0060  -0.0181 16 ASP D OD2 
741  N N   . LYS D 18 ? 0.0994 0.0723 0.1073 0.0073  -0.0293 -0.0160 17 LYS D N   
742  C CA  . LYS D 18 ? 0.1029 0.0733 0.0922 0.0103  -0.0336 -0.0105 17 LYS D CA  
743  C C   . LYS D 18 ? 0.0990 0.0694 0.0822 0.0054  -0.0276 -0.0075 17 LYS D C   
744  O O   . LYS D 18 ? 0.1423 0.1126 0.1348 0.0015  -0.0217 -0.0103 17 LYS D O   
745  C CB  . LYS D 18 ? 0.2002 0.1643 0.1877 0.0183  -0.0453 -0.0139 17 LYS D CB  
746  C CG  . LYS D 18 ? 0.1193 0.0748 0.0809 0.0250  -0.0454 -0.0073 17 LYS D CG  
747  C CD  . LYS D 18 ? 0.2369 0.1755 0.1838 0.0359  -0.0571 -0.0120 17 LYS D CD  
748  C CE  . LYS D 18 ? 0.1834 0.1118 0.1046 0.0418  -0.0472 -0.0058 17 LYS D CE  
749  N NZ  . LYS D 18 ? 0.3886 0.2940 0.2867 0.0521  -0.0527 -0.0118 17 LYS D NZ  
750  N N   . GLY D 19 ? 0.1188 0.0877 0.0894 0.0060  -0.0279 -0.0008 18 GLY D N   
751  C CA  . GLY D 19 ? 0.1517 0.1185 0.1167 0.0021  -0.0256 0.0019  18 GLY D CA  
752  C C   . GLY D 19 ? 0.1452 0.1128 0.1124 0.0037  -0.0272 -0.0006 18 GLY D C   
753  O O   . GLY D 19 ? 0.1090 0.0756 0.0779 0.0099  -0.0332 -0.0038 18 GLY D O   
754  N N   . GLU D 20 ? 0.1014 0.0662 0.0656 -0.0010 -0.0243 0.0004  19 GLU D N   
755  C CA  . GLU D 20 ? 0.1129 0.0781 0.0819 -0.0002 -0.0267 -0.0017 19 GLU D CA  
756  C C   . GLU D 20 ? 0.1756 0.1396 0.1353 0.0068  -0.0321 0.0008  19 GLU D C   
757  O O   . GLU D 20 ? 0.1627 0.1264 0.1163 0.0082  -0.0294 0.0070  19 GLU D O   
758  C CB  . GLU D 20 ? 0.1462 0.1052 0.1101 -0.0063 -0.0213 0.0003  19 GLU D CB  
759  C CG  . GLU D 20 ? 0.1256 0.0777 0.0921 -0.0104 -0.0097 -0.0009 19 GLU D CG  
760  C CD  . GLU D 20 ? 0.1896 0.1488 0.1869 -0.0099 -0.0065 -0.0055 19 GLU D CD  
761  O OE1 . GLU D 20 ? 0.1900 0.1521 0.2050 -0.0099 -0.0108 -0.0071 19 GLU D OE1 
762  O OE2 . GLU D 20 ? 0.1268 0.0878 0.1350 -0.0092 -0.0015 -0.0078 19 GLU D OE2 
763  N N   . THR D 21 ? 0.1337 0.0936 0.0943 0.0125  -0.0396 -0.0040 20 THR D N   
764  C CA  . THR D 21 ? 0.1458 0.0972 0.0891 0.0218  -0.0427 -0.0021 20 THR D CA  
765  C C   . THR D 21 ? 0.1535 0.1078 0.0970 0.0174  -0.0381 0.0026  20 THR D C   
766  O O   . THR D 21 ? 0.1104 0.0679 0.0634 0.0090  -0.0381 0.0014  20 THR D O   
767  C CB  . THR D 21 ? 0.1354 0.0760 0.0786 0.0286  -0.0543 -0.0105 20 THR D CB  
768  O OG1 . THR D 21 ? 0.1923 0.1258 0.1348 0.0336  -0.0599 -0.0152 20 THR D OG1 
769  C CG2 . THR D 21 ? 0.1929 0.1216 0.1169 0.0370  -0.0513 -0.0104 20 THR D CG2 
770  N N   . GLY D 22 ? 0.1202 0.2000 0.1727 -0.0200 -0.0158 -0.0040 21 GLY D N   
771  C CA  . GLY D 22 ? 0.0861 0.1644 0.1290 -0.0221 -0.0133 -0.0023 21 GLY D CA  
772  C C   . GLY D 22 ? 0.0786 0.1570 0.1277 -0.0231 -0.0160 -0.0003 21 GLY D C   
773  O O   . GLY D 22 ? 0.0465 0.1251 0.1081 -0.0222 -0.0209 -0.0024 21 GLY D O   
774  N N   . GLU D 23 ? 0.0457 0.1255 0.0882 -0.0249 -0.0138 0.0026  22 GLU D N   
775  C CA  . GLU D 23 ? 0.0999 0.1799 0.1496 -0.0264 -0.0158 0.0050  22 GLU D CA  
776  C C   . GLU D 23 ? 0.0990 0.1717 0.1485 -0.0252 -0.0193 0.0032  22 GLU D C   
777  O O   . GLU D 23 ? 0.0948 0.1629 0.1360 -0.0233 -0.0189 0.0023  22 GLU D O   
778  C CB  . GLU D 23 ? 0.0504 0.1352 0.0932 -0.0280 -0.0130 0.0097  22 GLU D CB  
779  C CG  . GLU D 23 ? 0.0683 0.1627 0.1112 -0.0286 -0.0099 0.0109  22 GLU D CG  
780  C CD  . GLU D 23 ? 0.0868 0.1865 0.1489 -0.0302 -0.0088 0.0120  22 GLU D CD  
781  O OE1 . GLU D 23 ? 0.1424 0.2427 0.2159 -0.0323 -0.0084 0.0147  22 GLU D OE1 
782  O OE2 . GLU D 23 ? 0.1275 0.2315 0.1964 -0.0297 -0.0072 0.0096  22 GLU D OE2 
783  N N   . GLN D 24 ? 0.0477 0.1211 0.1084 -0.0265 -0.0224 0.0019  23 GLN D N   
784  C CA  . GLN D 24 ? 0.0492 0.1178 0.1097 -0.0253 -0.0264 -0.0014 23 GLN D CA  
785  C C   . GLN D 24 ? 0.0470 0.1113 0.0958 -0.0250 -0.0238 0.0036  23 GLN D C   
786  O O   . GLN D 24 ? 0.0923 0.1598 0.1375 -0.0266 -0.0206 0.0090  23 GLN D O   
787  C CB  . GLN D 24 ? 0.1079 0.1819 0.1820 -0.0290 -0.0293 -0.0050 23 GLN D CB  
788  C CG  . GLN D 24 ? 0.1182 0.1887 0.1891 -0.0292 -0.0336 -0.0075 23 GLN D CG  
789  C CD  . GLN D 24 ? 0.1191 0.1923 0.2034 -0.0353 -0.0382 -0.0087 23 GLN D CD  
790  O OE1 . GLN D 24 ? 0.2055 0.2765 0.2988 -0.0394 -0.0363 -0.0052 23 GLN D OE1 
791  N NE2 . GLN D 24 ? 0.2079 0.2831 0.2956 -0.0357 -0.0454 -0.0128 23 GLN D NE2 
792  N N   . GLY D 25 ? 0.0464 0.1058 0.0902 -0.0224 -0.0256 0.0011  24 GLY D N   
793  C CA  . GLY D 25 ? 0.0443 0.1022 0.0807 -0.0219 -0.0231 0.0044  24 GLY D CA  
794  C C   . GLY D 25 ? 0.0481 0.1064 0.0891 -0.0233 -0.0247 0.0067  24 GLY D C   
795  O O   . GLY D 25 ? 0.0508 0.1097 0.1015 -0.0255 -0.0276 0.0052  24 GLY D O   
796  N N   . ASP D 26 ? 0.0508 0.1106 0.0869 -0.0225 -0.0227 0.0102  25 ASP D N   
797  C CA  . ASP D 26 ? 0.0505 0.1111 0.0914 -0.0229 -0.0244 0.0133  25 ASP D CA  
798  C C   . ASP D 26 ? 0.0521 0.1073 0.0985 -0.0223 -0.0296 0.0077  25 ASP D C   
799  O O   . ASP D 26 ? 0.0863 0.1389 0.1288 -0.0196 -0.0320 0.0017  25 ASP D O   
800  C CB  . ASP D 26 ? 0.0515 0.1173 0.0879 -0.0206 -0.0222 0.0165  25 ASP D CB  
801  C CG  . ASP D 26 ? 0.1184 0.1931 0.1500 -0.0213 -0.0188 0.0205  25 ASP D CG  
802  O OD1 . ASP D 26 ? 0.1520 0.2291 0.1843 -0.0233 -0.0183 0.0234  25 ASP D OD1 
803  O OD2 . ASP D 26 ? 0.1079 0.1893 0.1369 -0.0195 -0.0172 0.0197  25 ASP D OD2 
804  N N   . ARG D 27 ? 0.0538 0.1084 0.1089 -0.0249 -0.0317 0.0098  26 ARG D N   
805  C CA  . ARG D 27 ? 0.0613 0.1097 0.1200 -0.0259 -0.0378 0.0052  26 ARG D CA  
806  C C   . ARG D 27 ? 0.1103 0.1579 0.1618 -0.0209 -0.0410 0.0067  26 ARG D C   
807  O O   . ARG D 27 ? 0.0669 0.1219 0.1158 -0.0175 -0.0366 0.0118  26 ARG D O   
808  C CB  . ARG D 27 ? 0.0923 0.1341 0.1691 -0.0329 -0.0419 0.0129  26 ARG D CB  
809  C CG  . ARG D 27 ? 0.0725 0.1183 0.1566 -0.0327 -0.0420 0.0275  26 ARG D CG  
810  C CD  . ARG D 27 ? 0.1542 0.1984 0.2586 -0.0394 -0.0376 0.0397  26 ARG D CD  
811  N NE  . ARG D 27 ? 0.1546 0.2000 0.2583 -0.0335 -0.0323 0.0554  26 ARG D NE  
812  C CZ  . ARG D 27 ? 0.1305 0.1957 0.2243 -0.0269 -0.0278 0.0651  26 ARG D CZ  
813  N NH1 . ARG D 27 ? 0.0935 0.1745 0.1790 -0.0284 -0.0277 0.0601  26 ARG D NH1 
814  N NH2 . ARG D 27 ? 0.1058 0.1669 0.1893 -0.0152 -0.0222 0.0767  26 ARG D NH2 
815  N N   . GLY D 28 ? 0.0970 0.1344 0.1443 -0.0193 -0.0496 0.0013  27 GLY D N   
816  C CA  . GLY D 28 ? 0.0788 0.1131 0.1173 -0.0121 -0.0544 0.0023  27 GLY D CA  
817  C C   . GLY D 28 ? 0.1166 0.1459 0.1614 -0.0086 -0.0555 0.0103  27 GLY D C   
818  O O   . GLY D 28 ? 0.1248 0.1478 0.1817 -0.0133 -0.0550 0.0149  27 GLY D O   
819  N N   . ILE D 29 ? 0.1139 0.1436 0.1472 0.0023  -0.0492 0.0126  28 ILE D N   
820  C CA  . ILE D 29 ? 0.1057 0.1260 0.1379 0.0110  -0.0440 0.0188  28 ILE D CA  
821  C C   . ILE D 29 ? 0.2334 0.2208 0.2581 0.0135  -0.0487 0.0106  28 ILE D C   
822  O O   . ILE D 29 ? 0.2292 0.2015 0.2396 0.0164  -0.0547 -0.0014 28 ILE D O   
823  C CB  . ILE D 29 ? 0.1464 0.1772 0.1721 0.0225  -0.0357 0.0217  28 ILE D CB  
824  C CG1 . ILE D 29 ? 0.1476 0.2120 0.1880 0.0188  -0.0324 0.0286  28 ILE D CG1 
825  C CG2 . ILE D 29 ? 0.2325 0.2480 0.2531 0.0351  -0.0309 0.0253  28 ILE D CG2 
826  C CD1 . ILE D 29 ? 0.1698 0.2472 0.2101 0.0171  -0.0286 0.0245  28 ILE D CD1 
827  N N   . LYS D 30 ? 0.2121 0.1868 0.2452 0.0134  -0.0461 0.0168  29 LYS D N   
828  C CA  . LYS D 30 ? 0.2214 0.1640 0.2554 0.0113  -0.0511 0.0079  29 LYS D CA  
829  C C   . LYS D 30 ? 0.2272 0.1450 0.2421 0.0260  -0.0488 0.0023  29 LYS D C   
830  O O   . LYS D 30 ? 0.3374 0.2616 0.3454 0.0383  -0.0397 0.0112  29 LYS D O   
831  C CB  . LYS D 30 ? 0.2472 0.1826 0.3006 0.0039  -0.0461 0.0183  29 LYS D CB  
832  C CG  . LYS D 30 ? 0.3121 0.2107 0.3669 0.0068  -0.0444 0.0147  29 LYS D CG  
833  C CD  . LYS D 30 ? 0.3392 0.2281 0.4174 -0.0038 -0.0381 0.0243  29 LYS D CD  
834  C CE  . LYS D 30 ? 0.4176 0.2756 0.4944 0.0049  -0.0281 0.0324  29 LYS D CE  
835  N NZ  . LYS D 30 ? 0.4342 0.3028 0.4934 0.0231  -0.0202 0.0465  29 LYS D NZ  
836  N N   . GLY D 31 ? 0.2940 0.1847 0.3009 0.0256  -0.0578 -0.0141 30 GLY D N   
837  C CA  . GLY D 31 ? 0.4079 0.2689 0.3950 0.0397  -0.0565 -0.0223 30 GLY D CA  
838  C C   . GLY D 31 ? 0.4189 0.2459 0.4159 0.0335  -0.0628 -0.0334 30 GLY D C   
839  O O   . GLY D 31 ? 0.4602 0.2858 0.4761 0.0185  -0.0729 -0.0422 30 GLY D O   
840  N N   . ALA E 2  ? 0.4816 0.2862 0.2808 0.1119  -0.0632 -0.0608 1  ALA E N   
841  C CA  . ALA E 2  ? 0.5148 0.3216 0.3181 0.1146  -0.0661 -0.0570 1  ALA E CA  
842  C C   . ALA E 2  ? 0.5312 0.3373 0.3332 0.1064  -0.0671 -0.0530 1  ALA E C   
843  O O   . ALA E 2  ? 0.6253 0.4192 0.4217 0.0987  -0.0662 -0.0528 1  ALA E O   
844  C CB  . ALA E 2  ? 0.4870 0.3124 0.3056 0.1213  -0.0643 -0.0595 1  ALA E CB  
845  N N   . VAL E 3  ? 0.4217 0.2407 0.2318 0.1074  -0.0682 -0.0511 2  VAL E N   
846  C CA  . VAL E 3  ? 0.4001 0.2194 0.2093 0.0998  -0.0688 -0.0474 2  VAL E CA  
847  C C   . VAL E 3  ? 0.4641 0.2990 0.2800 0.0955  -0.0653 -0.0484 2  VAL E C   
848  O O   . VAL E 3  ? 0.3655 0.2110 0.1873 0.1008  -0.0611 -0.0507 2  VAL E O   
849  C CB  . VAL E 3  ? 0.4186 0.2406 0.2301 0.1044  -0.0731 -0.0447 2  VAL E CB  
850  C CG1 . VAL E 3  ? 0.4678 0.2868 0.2757 0.0960  -0.0725 -0.0403 2  VAL E CG1 
851  C CG2 . VAL E 3  ? 0.4600 0.2684 0.2604 0.1126  -0.0771 -0.0437 2  VAL E CG2 
852  N N   . GLY E 4  ? 0.4512 0.2863 0.2662 0.0865  -0.0655 -0.0469 3  GLY E N   
853  C CA  . GLY E 4  ? 0.3853 0.2337 0.2036 0.0841  -0.0631 -0.0470 3  GLY E CA  
854  C C   . GLY E 4  ? 0.3396 0.2010 0.1635 0.0854  -0.0596 -0.0438 3  GLY E C   
855  O O   . GLY E 4  ? 0.3408 0.2042 0.1702 0.0871  -0.0609 -0.0432 3  GLY E O   
856  N N   . PRO E 5  ? 0.3289 0.1978 0.1505 0.0861  -0.0551 -0.0426 4  PRO E N   
857  C CA  . PRO E 5  ? 0.3375 0.2149 0.1619 0.0877  -0.0486 -0.0401 4  PRO E CA  
858  C C   . PRO E 5  ? 0.2678 0.1526 0.1020 0.0793  -0.0526 -0.0361 4  PRO E C   
859  O O   . PRO E 5  ? 0.3023 0.1854 0.1402 0.0718  -0.0574 -0.0348 4  PRO E O   
860  C CB  . PRO E 5  ? 0.3693 0.2464 0.1824 0.0919  -0.0423 -0.0379 4  PRO E CB  
861  C CG  . PRO E 5  ? 0.4029 0.2725 0.2080 0.0956  -0.0461 -0.0415 4  PRO E CG  
862  C CD  . PRO E 5  ? 0.3673 0.2346 0.1811 0.0883  -0.0553 -0.0446 4  PRO E CD  
863  N N   . ARG E 6  ? 0.3322 0.2279 0.1806 0.0789  -0.0470 -0.0335 5  ARG E N   
864  C CA  . ARG E 6  ? 0.3091 0.2123 0.1657 0.0720  -0.0499 -0.0299 5  ARG E CA  
865  C C   . ARG E 6  ? 0.2969 0.2007 0.1464 0.0671  -0.0502 -0.0270 5  ARG E C   
866  O O   . ARG E 6  ? 0.2475 0.1499 0.0879 0.0715  -0.0455 -0.0266 5  ARG E O   
867  C CB  . ARG E 6  ? 0.2297 0.1460 0.1068 0.0724  -0.0419 -0.0296 5  ARG E CB  
868  C CG  . ARG E 6  ? 0.2334 0.1580 0.1208 0.0667  -0.0460 -0.0274 5  ARG E CG  
869  C CD  . ARG E 6  ? 0.3011 0.2398 0.2153 0.0676  -0.0393 -0.0314 5  ARG E CD  
870  N NE  . ARG E 6  ? 0.2094 0.1524 0.1394 0.0744  -0.0419 -0.0400 5  ARG E NE  
871  C CZ  . ARG E 6  ? 0.2949 0.2407 0.2310 0.0789  -0.0545 -0.0456 5  ARG E CZ  
872  N NH1 . ARG E 6  ? 0.3119 0.2542 0.2374 0.0768  -0.0635 -0.0422 5  ARG E NH1 
873  N NH2 . ARG E 6  ? 0.2468 0.1975 0.1981 0.0874  -0.0581 -0.0554 5  ARG E NH2 
874  N N   . GLY E 7  ? 0.2291 0.1354 0.0874 0.0583  -0.0536 -0.0248 6  GLY E N   
875  C CA  . GLY E 7  ? 0.2307 0.1419 0.0923 0.0529  -0.0537 -0.0243 6  GLY E CA  
876  C C   . GLY E 7  ? 0.2544 0.1740 0.1171 0.0543  -0.0485 -0.0206 6  GLY E C   
877  O O   . GLY E 7  ? 0.2524 0.1737 0.1143 0.0576  -0.0445 -0.0183 6  GLY E O   
878  N N   . PRO E 8  ? 0.2199 0.1434 0.0828 0.0536  -0.0493 -0.0212 7  PRO E N   
879  C CA  . PRO E 8  ? 0.2226 0.1504 0.0835 0.0561  -0.0441 -0.0171 7  PRO E CA  
880  C C   . PRO E 8  ? 0.2423 0.1778 0.1153 0.0481  -0.0433 -0.0135 7  PRO E C   
881  O O   . PRO E 8  ? 0.2158 0.1532 0.0980 0.0406  -0.0471 -0.0143 7  PRO E O   
882  C CB  . PRO E 8  ? 0.2566 0.1864 0.1155 0.0588  -0.0486 -0.0209 7  PRO E CB  
883  C CG  . PRO E 8  ? 0.2931 0.2233 0.1588 0.0542  -0.0569 -0.0280 7  PRO E CG  
884  C CD  . PRO E 8  ? 0.3536 0.2761 0.2162 0.0537  -0.0559 -0.0276 7  PRO E CD  
885  N N   . SER E 9  ? 0.2265 0.1633 0.0961 0.0512  -0.0370 -0.0093 8  SER E N   
886  C CA  . SER E 9  ? 0.2018 0.1458 0.0822 0.0450  -0.0366 -0.0065 8  SER E CA  
887  C C   . SER E 9  ? 0.2449 0.1962 0.1349 0.0376  -0.0405 -0.0071 8  SER E C   
888  O O   . SER E 9  ? 0.1870 0.1386 0.0736 0.0402  -0.0428 -0.0096 8  SER E O   
889  C CB  . SER E 9  ? 0.2360 0.1770 0.1092 0.0512  -0.0266 -0.0018 8  SER E CB  
890  O OG  . SER E 9  ? 0.4004 0.3323 0.2566 0.0598  -0.0202 0.0006  8  SER E OG  
891  N N   . GLY E 10 ? 0.2778 0.2339 0.1780 0.0303  -0.0418 -0.0059 9  GLY E N   
892  C CA  . GLY E 10 ? 0.1570 0.1181 0.0638 0.0243  -0.0440 -0.0065 9  GLY E CA  
893  C C   . GLY E 10 ? 0.2288 0.1954 0.1361 0.0262  -0.0417 -0.0044 9  GLY E C   
894  O O   . GLY E 10 ? 0.2187 0.1824 0.1190 0.0321  -0.0367 -0.0011 9  GLY E O   
895  N N   . PRO E 11 ? 0.1817 0.1536 0.0945 0.0228  -0.0451 -0.0068 10 PRO E N   
896  C CA  . PRO E 11 ? 0.2293 0.2055 0.1418 0.0258  -0.0438 -0.0051 10 PRO E CA  
897  C C   . PRO E 11 ? 0.1721 0.1506 0.0887 0.0224  -0.0389 0.0004  10 PRO E C   
898  O O   . PRO E 11 ? 0.1333 0.1123 0.0554 0.0168  -0.0387 0.0012  10 PRO E O   
899  C CB  . PRO E 11 ? 0.2218 0.2039 0.1419 0.0232  -0.0508 -0.0120 10 PRO E CB  
900  C CG  . PRO E 11 ? 0.2141 0.1930 0.1386 0.0163  -0.0538 -0.0162 10 PRO E CG  
901  C CD  . PRO E 11 ? 0.1686 0.1396 0.0860 0.0174  -0.0507 -0.0127 10 PRO E CD  
902  N N   . GLN E 12 ? 0.1458 0.1230 0.0571 0.0277  -0.0351 0.0036  11 GLN E N   
903  C CA  . GLN E 12 ? 0.1391 0.1181 0.0542 0.0252  -0.0312 0.0078  11 GLN E CA  
904  C C   . GLN E 12 ? 0.1434 0.1306 0.0700 0.0170  -0.0356 0.0057  11 GLN E C   
905  O O   . GLN E 12 ? 0.1275 0.1186 0.0571 0.0160  -0.0403 0.0014  11 GLN E O   
906  C CB  . GLN E 12 ? 0.2100 0.1828 0.1148 0.0337  -0.0247 0.0120  11 GLN E CB  
907  C CG  . GLN E 12 ? 0.2140 0.1874 0.1221 0.0320  -0.0197 0.0164  11 GLN E CG  
908  C CD  . GLN E 12 ? 0.3202 0.2807 0.2168 0.0411  -0.0056 0.0230  11 GLN E CD  
909  O OE1 . GLN E 12 ? 0.3081 0.2628 0.1939 0.0491  -0.0053 0.0228  11 GLN E OE1 
910  N NE2 . GLN E 12 ? 0.2947 0.2535 0.2074 0.0361  0.0081  0.0242  11 GLN E NE2 
911  N N   . GLY E 13 ? 0.1184 0.1066 0.0500 0.0126  -0.0343 0.0074  12 GLY E N   
912  C CA  . GLY E 13 ? 0.1509 0.1424 0.0886 0.0065  -0.0361 0.0061  12 GLY E CA  
913  C C   . GLY E 13 ? 0.1698 0.1662 0.1094 0.0072  -0.0369 0.0061  12 GLY E C   
914  O O   . GLY E 13 ? 0.1340 0.1300 0.0691 0.0137  -0.0352 0.0083  12 GLY E O   
915  N N   . ILE E 14 ? 0.1090 0.1066 0.0531 0.0014  -0.0396 0.0037  13 ILE E N   
916  C CA  . ILE E 14 ? 0.1335 0.1381 0.0843 0.0019  -0.0407 0.0019  13 ILE E CA  
917  C C   . ILE E 14 ? 0.1328 0.1380 0.0837 0.0039  -0.0351 0.0074  13 ILE E C   
918  O O   . ILE E 14 ? 0.1139 0.1161 0.0655 0.0014  -0.0309 0.0101  13 ILE E O   
919  C CB  . ILE E 14 ? 0.1688 0.1749 0.1314 -0.0068 -0.0389 -0.0027 13 ILE E CB  
920  C CG1 . ILE E 14 ? 0.1464 0.1459 0.1060 -0.0118 -0.0322 0.0020  13 ILE E CG1 
921  C CG2 . ILE E 14 ? 0.1778 0.1794 0.1430 -0.0104 -0.0404 -0.0086 13 ILE E CG2 
922  C CD1 . ILE E 14 ? 0.1065 0.1043 0.0748 -0.0188 -0.0259 -0.0008 13 ILE E CD1 
923  N N   . ARG E 15 ? 0.1124 0.1214 0.0636 0.0096  -0.0357 0.0074  14 ARG E N   
924  C CA  . ARG E 15 ? 0.1391 0.1461 0.0905 0.0118  -0.0285 0.0126  14 ARG E CA  
925  C C   . ARG E 15 ? 0.0950 0.1055 0.0577 0.0029  -0.0254 0.0121  14 ARG E C   
926  O O   . ARG E 15 ? 0.1081 0.1213 0.0760 -0.0032 -0.0276 0.0086  14 ARG E O   
927  C CB  . ARG E 15 ? 0.2027 0.2100 0.1479 0.0223  -0.0308 0.0124  14 ARG E CB  
928  C CG  . ARG E 15 ? 0.2454 0.2644 0.2029 0.0206  -0.0391 0.0044  14 ARG E CG  
929  C CD  . ARG E 15 ? 0.2931 0.3136 0.2433 0.0353  -0.0465 0.0004  14 ARG E CD  
930  N NE  . ARG E 15 ? 0.3388 0.3485 0.2750 0.0449  -0.0393 0.0083  14 ARG E NE  
931  C CZ  . ARG E 15 ? 0.2826 0.2857 0.2075 0.0582  -0.0408 0.0064  14 ARG E CZ  
932  N NH1 . ARG E 15 ? 0.2680 0.2760 0.1946 0.0645  -0.0509 -0.0040 14 ARG E NH1 
933  N NH2 . ARG E 15 ? 0.2712 0.2606 0.1819 0.0664  -0.0312 0.0143  14 ARG E NH2 
934  N N   . GLY E 16 ? 0.0930 0.1013 0.0595 0.0025  -0.0185 0.0149  15 GLY E N   
935  C CA  . GLY E 16 ? 0.1098 0.1204 0.0843 -0.0036 -0.0169 0.0131  15 GLY E CA  
936  C C   . GLY E 16 ? 0.0848 0.0997 0.0635 -0.0053 -0.0169 0.0123  15 GLY E C   
937  O O   . GLY E 16 ? 0.0879 0.1058 0.0666 -0.0003 -0.0183 0.0126  15 GLY E O   
938  N N   . ASP E 17 ? 0.0830 0.0972 0.0638 -0.0106 -0.0157 0.0104  16 ASP E N   
939  C CA  . ASP E 17 ? 0.0821 0.0998 0.0690 -0.0130 -0.0131 0.0092  16 ASP E CA  
940  C C   . ASP E 17 ? 0.0805 0.1016 0.0732 -0.0087 -0.0103 0.0110  16 ASP E C   
941  O O   . ASP E 17 ? 0.1126 0.1303 0.1057 -0.0064 -0.0067 0.0130  16 ASP E O   
942  C CB  . ASP E 17 ? 0.0863 0.0977 0.0686 -0.0168 -0.0100 0.0078  16 ASP E CB  
943  C CG  . ASP E 17 ? 0.0961 0.0976 0.0670 -0.0191 -0.0096 0.0073  16 ASP E CG  
944  O OD1 . ASP E 17 ? 0.1094 0.1121 0.0829 -0.0206 -0.0107 0.0066  16 ASP E OD1 
945  O OD2 . ASP E 17 ? 0.1965 0.1870 0.1540 -0.0181 -0.0079 0.0070  16 ASP E OD2 
946  N N   . LYS E 18 ? 0.0807 0.1077 0.0799 -0.0073 -0.0108 0.0091  17 LYS E N   
947  C CA  . LYS E 18 ? 0.0903 0.1179 0.0925 -0.0022 -0.0076 0.0109  17 LYS E CA  
948  C C   . LYS E 18 ? 0.1214 0.1457 0.1272 -0.0069 -0.0013 0.0113  17 LYS E C   
949  O O   . LYS E 18 ? 0.0785 0.1018 0.0839 -0.0126 -0.0008 0.0087  17 LYS E O   
950  C CB  . LYS E 18 ? 0.1489 0.1855 0.1606 0.0006  -0.0108 0.0062  17 LYS E CB  
951  C CG  . LYS E 18 ? 0.1875 0.2226 0.1990 0.0085  -0.0083 0.0085  17 LYS E CG  
952  C CD  . LYS E 18 ? 0.2617 0.3048 0.2775 0.0188  -0.0162 0.0031  17 LYS E CD  
953  C CE  . LYS E 18 ? 0.2540 0.2905 0.2639 0.0286  -0.0125 0.0071  17 LYS E CE  
954  N NZ  . LYS E 18 ? 0.2235 0.2486 0.2119 0.0460  -0.0161 0.0110  17 LYS E NZ  
955  N N   . GLY E 19 ? 0.0846 0.1044 0.0920 -0.0029 0.0043  0.0140  18 GLY E N   
956  C CA  . GLY E 19 ? 0.0816 0.0993 0.0965 -0.0069 0.0096  0.0117  18 GLY E CA  
957  C C   . GLY E 19 ? 0.0800 0.1015 0.0987 -0.0095 0.0100  0.0090  18 GLY E C   
958  O O   . GLY E 19 ? 0.0805 0.1066 0.1011 -0.0072 0.0091  0.0093  18 GLY E O   
959  N N   . GLU E 20 ? 0.1202 0.1399 0.1406 -0.0132 0.0108  0.0045  19 GLU E N   
960  C CA  . GLU E 20 ? 0.1214 0.1412 0.1429 -0.0148 0.0134  0.0015  19 GLU E CA  
961  C C   . GLU E 20 ? 0.1470 0.1687 0.1770 -0.0119 0.0185  0.0036  19 GLU E C   
962  O O   . GLU E 20 ? 0.1634 0.1816 0.1972 -0.0081 0.0222  0.0066  19 GLU E O   
963  C CB  . GLU E 20 ? 0.1322 0.1485 0.1540 -0.0153 0.0120  -0.0054 19 GLU E CB  
964  C CG  . GLU E 20 ? 0.2492 0.2615 0.2632 -0.0152 0.0130  -0.0095 19 GLU E CG  
965  C CD  . GLU E 20 ? 0.2640 0.2736 0.2780 -0.0124 0.0079  -0.0195 19 GLU E CD  
966  O OE1 . GLU E 20 ? 0.1926 0.2037 0.2094 -0.0109 0.0014  -0.0241 19 GLU E OE1 
967  O OE2 . GLU E 20 ? 0.2416 0.2486 0.2548 -0.0108 0.0093  -0.0246 19 GLU E OE2 
968  N N   . HYP E 21 ? 0.1959 0.2208 0.2281 -0.0128 0.0205  0.0022  20 HYP E N   
969  C CA  . HYP E 21 ? 0.0999 0.1268 0.1404 -0.0085 0.0245  0.0030  20 HYP E CA  
970  C C   . HYP E 21 ? 0.1195 0.1396 0.1643 -0.0084 0.0301  0.0014  20 HYP E C   
971  O O   . HYP E 21 ? 0.1216 0.1393 0.1655 -0.0123 0.0296  -0.0039 20 HYP E O   
972  C CB  . HYP E 21 ? 0.1703 0.2031 0.2166 -0.0105 0.0266  -0.0006 20 HYP E CB  
973  C CG  . HYP E 21 ? 0.2195 0.2535 0.2619 -0.0154 0.0250  -0.0019 20 HYP E CG  
974  C CD  . HYP E 21 ? 0.1813 0.2072 0.2102 -0.0167 0.0217  -0.0001 20 HYP E CD  
975  O OD1 . HYP E 21 ? 0.1996 0.2426 0.2506 -0.0133 0.0203  -0.0032 20 HYP E OD1 
976  N N   . GLY E 22 ? 0.1875 0.2029 0.2359 -0.0027 0.0352  0.0049  21 GLY E N   
977  C CA  . GLY E 22 ? 0.1112 0.1189 0.1677 -0.0033 0.0433  0.0026  21 GLY E CA  
978  C C   . GLY E 22 ? 0.1347 0.1456 0.1954 -0.0057 0.0442  -0.0028 21 GLY E C   
979  O O   . GLY E 22 ? 0.0997 0.1168 0.1588 -0.0043 0.0423  -0.0024 21 GLY E O   
980  N N   . GLU E 23 ? 0.2068 0.1704 0.1139 0.0734  0.0320  0.0393  22 GLU E N   
981  C CA  . GLU E 23 ? 0.2547 0.2065 0.1474 0.0714  0.0282  0.0390  22 GLU E CA  
982  C C   . GLU E 23 ? 0.2219 0.1834 0.1226 0.0605  0.0285  0.0348  22 GLU E C   
983  O O   . GLU E 23 ? 0.1910 0.1681 0.1018 0.0560  0.0255  0.0332  22 GLU E O   
984  C CB  . GLU E 23 ? 0.2989 0.2518 0.1872 0.0780  0.0115  0.0391  22 GLU E CB  
985  C CG  . GLU E 23 ? 0.2748 0.2211 0.1633 0.0904  0.0036  0.0409  22 GLU E CG  
986  C CD  . GLU E 23 ? 0.3384 0.2516 0.1958 0.0951  0.0062  0.0425  22 GLU E CD  
987  O OE1 . GLU E 23 ? 0.4174 0.3137 0.2534 0.0911  0.0102  0.0413  22 GLU E OE1 
988  O OE2 . GLU E 23 ? 0.4444 0.3457 0.2981 0.1034  0.0063  0.0450  22 GLU E OE2 
989  N N   . LYS E 24 ? 0.1974 0.1442 0.0896 0.0573  0.0336  0.0331  23 LYS E N   
990  C CA  . LYS E 24 ? 0.1695 0.1220 0.0684 0.0499  0.0343  0.0294  23 LYS E CA  
991  C C   . LYS E 24 ? 0.1730 0.1410 0.0765 0.0472  0.0199  0.0293  23 LYS E C   
992  O O   . LYS E 24 ? 0.2032 0.1711 0.1011 0.0508  0.0121  0.0304  23 LYS E O   
993  C CB  . LYS E 24 ? 0.2042 0.1332 0.0957 0.0474  0.0509  0.0266  23 LYS E CB  
994  C CG  . LYS E 24 ? 0.2979 0.2311 0.2013 0.0404  0.0515  0.0199  23 LYS E CG  
995  C CD  . LYS E 24 ? 0.3153 0.2259 0.2289 0.0352  0.0756  0.0114  23 LYS E CD  
996  C CE  . LYS E 24 ? 0.3335 0.2473 0.2669 0.0280  0.0769  0.0021  23 LYS E CE  
997  N NZ  . LYS E 24 ? 0.4207 0.3049 0.3277 0.0260  0.0939  0.0045  23 LYS E NZ  
998  N N   . GLY E 25 ? 0.1525 0.1308 0.0642 0.0421  0.0157  0.0273  24 GLY E N   
999  C CA  . GLY E 25 ? 0.1528 0.1434 0.0714 0.0383  0.0055  0.0272  24 GLY E CA  
1000 C C   . GLY E 25 ? 0.1411 0.1269 0.0533 0.0382  0.0028  0.0262  24 GLY E C   
1001 O O   . GLY E 25 ? 0.1564 0.1251 0.0551 0.0397  0.0117  0.0253  24 GLY E O   
1002 N N   . PRO E 26 ? 0.1362 0.1327 0.0547 0.0371  -0.0067 0.0259  25 PRO E N   
1003 C CA  . PRO E 26 ? 0.2027 0.1938 0.1126 0.0375  -0.0113 0.0235  25 PRO E CA  
1004 C C   . PRO E 26 ? 0.1416 0.1304 0.0511 0.0334  -0.0083 0.0216  25 PRO E C   
1005 O O   . PRO E 26 ? 0.1274 0.1231 0.0531 0.0285  -0.0090 0.0207  25 PRO E O   
1006 C CB  . PRO E 26 ? 0.1421 0.1487 0.0647 0.0399  -0.0240 0.0222  25 PRO E CB  
1007 C CG  . PRO E 26 ? 0.1808 0.2013 0.1179 0.0381  -0.0207 0.0257  25 PRO E CG  
1008 C CD  . PRO E 26 ? 0.1444 0.1560 0.0749 0.0375  -0.0110 0.0278  25 PRO E CD  
1009 N N   . ARG E 27 ? 0.2036 0.1784 0.0983 0.0337  -0.0050 0.0181  26 ARG E N   
1010 C CA  A ARG E 27 ? 0.1524 0.1259 0.0627 0.0260  0.0003  0.0114  26 ARG E CA  
1011 C CA  B ARG E 27 ? 0.1523 0.1259 0.0627 0.0260  0.0003  0.0114  26 ARG E CA  
1012 C C   . ARG E 27 ? 0.2022 0.1943 0.1342 0.0218  -0.0128 0.0106  26 ARG E C   
1013 O O   . ARG E 27 ? 0.1958 0.1982 0.1278 0.0238  -0.0224 0.0126  26 ARG E O   
1014 C CB  A ARG E 27 ? 0.2459 0.1954 0.1310 0.0266  0.0109  0.0069  26 ARG E CB  
1015 C CB  B ARG E 27 ? 0.2432 0.1932 0.1290 0.0264  0.0107  0.0068  26 ARG E CB  
1016 C CG  A ARG E 27 ? 0.2141 0.1604 0.1221 0.0180  0.0216  -0.0030 26 ARG E CG  
1017 C CG  B ARG E 27 ? 0.1987 0.1461 0.1092 0.0178  0.0216  -0.0031 26 ARG E CG  
1018 C CD  A ARG E 27 ? 0.2862 0.1974 0.1631 0.0174  0.0443  -0.0081 26 ARG E CD  
1019 C CD  B ARG E 27 ? 0.2863 0.2002 0.1694 0.0164  0.0442  -0.0090 26 ARG E CD  
1020 N NE  A ARG E 27 ? 0.3822 0.2787 0.2767 0.0124  0.0698  -0.0142 26 ARG E NE  
1021 N NE  B ARG E 27 ? 0.3899 0.2848 0.2797 0.0134  0.0698  -0.0129 26 ARG E NE  
1022 C CZ  A ARG E 27 ? 0.2862 0.1822 0.2216 0.0036  0.0853  -0.0279 26 ARG E CZ  
1023 C CZ  B ARG E 27 ? 0.3755 0.2330 0.2319 0.0133  0.0925  -0.0120 26 ARG E CZ  
1024 N NH1 A ARG E 27 ? 0.3706 0.2758 0.3252 -0.0007 0.0795  -0.0352 26 ARG E NH1 
1025 N NH1 B ARG E 27 ? 0.4334 0.2677 0.2478 0.0170  0.0886  -0.0080 26 ARG E NH1 
1026 N NH2 A ARG E 27 ? 0.2824 0.1709 0.2481 -0.0012 0.1054  -0.0357 26 ARG E NH2 
1027 N NH2 B ARG E 27 ? 0.3297 0.1764 0.2072 0.0080  0.1113  -0.0136 26 ARG E NH2 
1028 N N   . GLY E 28 ? 0.1224 0.1164 0.0765 0.0166  -0.0133 0.0062  27 GLY E N   
1029 C CA  . GLY E 28 ? 0.1812 0.1836 0.1496 0.0132  -0.0239 0.0067  27 GLY E CA  
1030 C C   . GLY E 28 ? 0.1364 0.1414 0.1063 0.0110  -0.0255 0.0025  27 GLY E C   
1031 O O   . GLY E 28 ? 0.1700 0.1655 0.1260 0.0121  -0.0187 -0.0022 27 GLY E O   
1032 N N   . LEU E 29 ? 0.1100 0.1224 0.0925 0.0081  -0.0331 0.0040  28 LEU E N   
1033 C CA  . LEU E 29 ? 0.1119 0.1286 0.1021 0.0055  -0.0362 -0.0019 28 LEU E CA  
1034 C C   . LEU E 29 ? 0.1423 0.1511 0.1428 0.0020  -0.0322 -0.0103 28 LEU E C   
1035 O O   . LEU E 29 ? 0.1274 0.1314 0.1426 0.0008  -0.0314 -0.0121 28 LEU E O   
1036 C CB  . LEU E 29 ? 0.1288 0.1525 0.1358 0.0018  -0.0406 0.0009  28 LEU E CB  
1037 C CG  . LEU E 29 ? 0.1875 0.2164 0.1938 0.0030  -0.0380 0.0072  28 LEU E CG  
1038 C CD1 . LEU E 29 ? 0.2045 0.2353 0.2312 -0.0027 -0.0344 0.0072  28 LEU E CD1 
1039 C CD2 . LEU E 29 ? 0.2034 0.2413 0.2045 0.0092  -0.0415 0.0034  28 LEU E CD2 
1040 N N   . HYP E 30 ? 0.1651 0.1711 0.1600 0.0010  -0.0306 -0.0180 29 HYP E N   
1041 C CA  . HYP E 30 ? 0.1337 0.1308 0.1413 -0.0037 -0.0224 -0.0284 29 HYP E CA  
1042 C C   . HYP E 30 ? 0.1503 0.1543 0.1946 -0.0079 -0.0304 -0.0298 29 HYP E C   
1043 O O   . HYP E 30 ? 0.1988 0.2097 0.2483 -0.0080 -0.0401 -0.0226 29 HYP E O   
1044 C CB  . HYP E 30 ? 0.1541 0.1421 0.1390 -0.0030 -0.0211 -0.0365 29 HYP E CB  
1045 C CG  . HYP E 30 ? 0.2145 0.2014 0.1674 0.0054  -0.0304 -0.0313 29 HYP E CG  
1046 C CD  . HYP E 30 ? 0.1425 0.1496 0.1193 0.0050  -0.0377 -0.0212 29 HYP E CD  
1047 O OD1 . HYP E 30 ? 0.2558 0.2189 0.1682 0.0109  -0.0202 -0.0297 29 HYP E OD1 
1048 N N   . GLY E 31 ? 0.1318 0.1298 0.2014 -0.0108 -0.0246 -0.0396 30 GLY E N   
1049 C CA  . GLY E 31 ? 0.1656 0.1645 0.2690 -0.0116 -0.0363 -0.0420 30 GLY E CA  
1050 C C   . GLY E 31 ? 0.1745 0.1769 0.2830 -0.0143 -0.0434 -0.0401 30 GLY E C   
1051 O O   . GLY E 31 ? 0.3132 0.3166 0.4289 -0.0184 -0.0369 -0.0498 30 GLY E O   
1052 C C   . ACE F 1  ? 1.5404 0.4221 0.5776 -0.1498 -0.1531 -0.0133 0  ACE F C   
1053 O O   . ACE F 1  ? 1.6445 0.4473 0.4473 -0.1243 -0.1243 -0.0047 0  ACE F O   
1054 C CH3 . ACE F 1  ? 1.6386 0.4460 0.4460 -0.1245 -0.1245 -0.0047 0  ACE F CH3 
1055 N N   . ALA F 2  ? 0.6631 0.1754 0.3425 0.0239  -0.0916 0.0079  1  ALA F N   
1056 C CA  . ALA F 2  ? 0.6610 0.1817 0.3388 0.0269  -0.0898 0.0128  1  ALA F CA  
1057 C C   . ALA F 2  ? 0.6406 0.1709 0.3225 0.0209  -0.0979 0.0104  1  ALA F C   
1058 O O   . ALA F 2  ? 0.6383 0.1714 0.3099 0.0194  -0.1059 0.0067  1  ALA F O   
1059 C CB  . ALA F 2  ? 0.6561 0.1780 0.3174 0.0353  -0.0900 0.0145  1  ALA F CB  
1060 N N   . VAL F 3  ? 0.6344 0.1680 0.3324 0.0177  -0.0944 0.0129  2  VAL F N   
1061 C CA  . VAL F 3  ? 0.6228 0.1653 0.3282 0.0125  -0.1017 0.0110  2  VAL F CA  
1062 C C   . VAL F 3  ? 0.6214 0.1711 0.3102 0.0159  -0.1052 0.0119  2  VAL F C   
1063 O O   . VAL F 3  ? 0.6645 0.2138 0.3436 0.0222  -0.1000 0.0154  2  VAL F O   
1064 C CB  . VAL F 3  ? 0.6210 0.1643 0.3497 0.0095  -0.0941 0.0140  2  VAL F CB  
1065 C CG1 . VAL F 3  ? 0.6153 0.1684 0.3522 0.0055  -0.1009 0.0126  2  VAL F CG1 
1066 C CG2 . VAL F 3  ? 0.6292 0.1656 0.3811 0.0050  -0.0913 0.0114  2  VAL F CG2 
1067 N N   . GLY F 4  ? 0.6130 0.1678 0.2978 0.0123  -0.1148 0.0083  3  GLY F N   
1068 C CA  . GLY F 4  ? 0.6627 0.2229 0.3343 0.0145  -0.1179 0.0079  3  GLY F CA  
1069 C C   . GLY F 4  ? 0.6242 0.1906 0.2984 0.0166  -0.1146 0.0110  3  GLY F C   
1070 O O   . GLY F 4  ? 0.6076 0.1739 0.2936 0.0157  -0.1090 0.0140  3  GLY F O   
1071 N N   . PRO F 5  ? 0.6038 0.1739 0.2675 0.0197  -0.1172 0.0102  4  PRO F N   
1072 C CA  . PRO F 5  ? 0.5875 0.1621 0.2510 0.0217  -0.1159 0.0119  4  PRO F CA  
1073 C C   . PRO F 5  ? 0.6160 0.1959 0.2919 0.0155  -0.1172 0.0121  4  PRO F C   
1074 O O   . PRO F 5  ? 0.5742 0.1569 0.2551 0.0103  -0.1234 0.0098  4  PRO F O   
1075 C CB  . PRO F 5  ? 0.5857 0.1629 0.2399 0.0247  -0.1212 0.0092  4  PRO F CB  
1076 C CG  . PRO F 5  ? 0.5927 0.1645 0.2416 0.0276  -0.1213 0.0078  4  PRO F CG  
1077 C CD  . PRO F 5  ? 0.6160 0.1840 0.2688 0.0225  -0.1201 0.0075  4  PRO F CD  
1078 N N   . ARG F 6  ? 0.6227 0.2018 0.3023 0.0169  -0.1111 0.0152  5  ARG F N   
1079 C CA  . ARG F 6  ? 0.5739 0.1577 0.2673 0.0122  -0.1113 0.0155  5  ARG F CA  
1080 C C   . ARG F 6  ? 0.5642 0.1550 0.2530 0.0103  -0.1195 0.0125  5  ARG F C   
1081 O O   . ARG F 6  ? 0.5657 0.1563 0.2411 0.0139  -0.1216 0.0110  5  ARG F O   
1082 C CB  . ARG F 6  ? 0.5811 0.1591 0.2742 0.0155  -0.1009 0.0194  5  ARG F CB  
1083 C CG  . ARG F 6  ? 0.5769 0.1581 0.2848 0.0117  -0.0988 0.0198  5  ARG F CG  
1084 C CD  . ARG F 6  ? 0.6472 0.2178 0.3602 0.0139  -0.0839 0.0244  5  ARG F CD  
1085 N NE  . ARG F 6  ? 0.6239 0.1932 0.3478 0.0123  -0.0775 0.0254  5  ARG F NE  
1086 C CZ  . ARG F 6  ? 0.5798 0.1544 0.3343 0.0064  -0.0768 0.0244  5  ARG F CZ  
1087 N NH1 . ARG F 6  ? 0.6227 0.2045 0.3973 0.0017  -0.0849 0.0218  5  ARG F NH1 
1088 N NH2 . ARG F 6  ? 0.5828 0.1541 0.3478 0.0059  -0.0682 0.0256  5  ARG F NH2 
1089 N N   . GLY F 7  ? 0.1913 0.1845 0.1782 -0.0358 0.0355  -0.0196 6  GLY F N   
1090 C CA  . GLY F 7  ? 0.1391 0.1376 0.1076 -0.0320 0.0238  -0.0152 6  GLY F CA  
1091 C C   . GLY F 7  ? 0.2036 0.2050 0.1674 -0.0352 0.0291  -0.0056 6  GLY F C   
1092 O O   . GLY F 7  ? 0.1985 0.1971 0.1715 -0.0382 0.0390  -0.0042 6  GLY F O   
1093 N N   . PRO F 8  ? 0.1931 0.1973 0.1424 -0.0327 0.0247  0.0007  7  PRO F N   
1094 C CA  . PRO F 8  ? 0.1608 0.1699 0.1114 -0.0351 0.0270  0.0057  7  PRO F CA  
1095 C C   . PRO F 8  ? 0.1965 0.2077 0.1596 -0.0380 0.0238  0.0008  7  PRO F C   
1096 O O   . PRO F 8  ? 0.1990 0.2099 0.1712 -0.0370 0.0172  -0.0079 7  PRO F O   
1097 C CB  . PRO F 8  ? 0.1415 0.1511 0.0834 -0.0325 0.0264  0.0106  7  PRO F CB  
1098 C CG  . PRO F 8  ? 0.1947 0.1950 0.1234 -0.0258 0.0227  0.0090  7  PRO F CG  
1099 C CD  . PRO F 8  ? 0.2629 0.2624 0.1945 -0.0262 0.0216  0.0039  7  PRO F CD  
1100 N N   . SER F 9  ? 0.1983 0.2125 0.1633 -0.0397 0.0267  0.0040  8  SER F N   
1101 C CA  . SER F 9  ? 0.1589 0.1746 0.1354 -0.0424 0.0254  0.0007  8  SER F CA  
1102 C C   . SER F 9  ? 0.1586 0.1773 0.1333 -0.0414 0.0169  -0.0005 8  SER F C   
1103 O O   . SER F 9  ? 0.1174 0.1348 0.0814 -0.0388 0.0171  0.0042  8  SER F O   
1104 C CB  . SER F 9  ? 0.2503 0.2653 0.2230 -0.0410 0.0306  0.0044  8  SER F CB  
1105 O OG  . SER F 9  ? 0.2696 0.2889 0.2491 -0.0433 0.0265  0.0031  8  SER F OG  
1106 N N   . GLY F 10 ? 0.1456 0.1656 0.1318 -0.0421 0.0122  -0.0071 9  GLY F N   
1107 C CA  . GLY F 10 ? 0.1527 0.1716 0.1319 -0.0372 0.0044  -0.0084 9  GLY F CA  
1108 C C   . GLY F 10 ? 0.1888 0.2094 0.1659 -0.0402 0.0089  -0.0012 9  GLY F C   
1109 O O   . GLY F 10 ? 0.1379 0.1628 0.1212 -0.0449 0.0139  0.0013  9  GLY F O   
1110 N N   . PRO F 11 ? 0.1927 0.2073 0.1594 -0.0347 0.0074  0.0009  10 PRO F N   
1111 C CA  . PRO F 11 ? 0.1432 0.1590 0.1148 -0.0384 0.0134  0.0057  10 PRO F CA  
1112 C C   . PRO F 11 ? 0.1099 0.1333 0.0953 -0.0436 0.0097  0.0017  10 PRO F C   
1113 O O   . PRO F 11 ? 0.1414 0.1665 0.1334 -0.0429 0.0038  -0.0047 10 PRO F O   
1114 C CB  . PRO F 11 ? 0.2294 0.2301 0.1827 -0.0282 0.0168  0.0099  10 PRO F CB  
1115 C CG  . PRO F 11 ? 0.2539 0.2447 0.1860 -0.0159 0.0104  0.0073  10 PRO F CG  
1116 C CD  . PRO F 11 ? 0.1565 0.1598 0.1036 -0.0213 0.0010  -0.0018 10 PRO F CD  
1117 N N   . GLN F 12 ? 0.0960 0.1241 0.0895 -0.0479 0.0135  0.0034  11 GLN F N   
1118 C CA  . GLN F 12 ? 0.0873 0.1190 0.0889 -0.0506 0.0116  0.0011  11 GLN F CA  
1119 C C   . GLN F 12 ? 0.1047 0.1326 0.1047 -0.0481 0.0083  0.0003  11 GLN F C   
1120 O O   . GLN F 12 ? 0.1045 0.1240 0.0934 -0.0427 0.0105  0.0036  11 GLN F O   
1121 C CB  . GLN F 12 ? 0.0948 0.1319 0.1039 -0.0519 0.0131  -0.0001 11 GLN F CB  
1122 C CG  . GLN F 12 ? 0.1960 0.2347 0.2111 -0.0531 0.0116  -0.0019 11 GLN F CG  
1123 C CD  . GLN F 12 ? 0.2184 0.2621 0.2364 -0.0495 0.0085  -0.0074 11 GLN F CD  
1124 O OE1 . GLN F 12 ? 0.1019 0.1521 0.1298 -0.0476 0.0062  -0.0133 11 GLN F OE1 
1125 N NE2 . GLN F 12 ? 0.1273 0.1666 0.1374 -0.0459 0.0085  -0.0073 11 GLN F NE2 
1126 N N   . GLY F 13 ? 0.1430 0.1738 0.1524 -0.0497 0.0050  -0.0041 12 GLY F N   
1127 C CA  . GLY F 13 ? 0.0947 0.1237 0.1045 -0.0451 -0.0015 -0.0082 12 GLY F CA  
1128 C C   . GLY F 13 ? 0.0997 0.1236 0.1015 -0.0433 0.0018  -0.0028 12 GLY F C   
1129 O O   . GLY F 13 ? 0.1231 0.1475 0.1280 -0.0479 0.0091  0.0016  12 GLY F O   
1130 N N   . ILE F 14 ? 0.1433 0.1619 0.1376 -0.0349 -0.0043 -0.0058 13 ILE F N   
1131 C CA  . ILE F 14 ? 0.1537 0.1624 0.1372 -0.0304 0.0013  -0.0001 13 ILE F CA  
1132 C C   . ILE F 14 ? 0.1074 0.1247 0.1089 -0.0399 0.0026  -0.0010 13 ILE F C   
1133 O O   . ILE F 14 ? 0.1392 0.1663 0.1562 -0.0452 -0.0019 -0.0065 13 ILE F O   
1134 C CB  . ILE F 14 ? 0.1626 0.1593 0.1236 -0.0121 -0.0076 -0.0040 13 ILE F CB  
1135 C CG1 . ILE F 14 ? 0.2456 0.2250 0.1765 0.0030  -0.0052 -0.0002 13 ILE F CG1 
1136 C CG2 . ILE F 14 ? 0.3363 0.3218 0.2863 -0.0059 -0.0025 0.0007  13 ILE F CG2 
1137 C CD1 . ILE F 14 ? 0.3594 0.3295 0.2656 0.0267  -0.0219 -0.0103 13 ILE F CD1 
1138 N N   . ARG F 15 ? 0.1261 0.1372 0.1271 -0.0413 0.0117  0.0043  14 ARG F N   
1139 C CA  . ARG F 15 ? 0.1017 0.1184 0.1156 -0.0470 0.0116  0.0027  14 ARG F CA  
1140 C C   . ARG F 15 ? 0.1292 0.1466 0.1411 -0.0416 0.0026  -0.0016 14 ARG F C   
1141 O O   . ARG F 15 ? 0.1853 0.1938 0.1806 -0.0291 -0.0024 -0.0029 14 ARG F O   
1142 C CB  . ARG F 15 ? 0.1730 0.1809 0.1903 -0.0479 0.0238  0.0068  14 ARG F CB  
1143 C CG  . ARG F 15 ? 0.1051 0.1209 0.1391 -0.0546 0.0227  0.0030  14 ARG F CG  
1144 C CD  . ARG F 15 ? 0.1192 0.1259 0.1643 -0.0559 0.0361  0.0044  14 ARG F CD  
1145 N NE  . ARG F 15 ? 0.2237 0.2106 0.2478 -0.0459 0.0446  0.0123  14 ARG F NE  
1146 C CZ  . ARG F 15 ? 0.3191 0.2946 0.3470 -0.0448 0.0562  0.0149  14 ARG F CZ  
1147 N NH1 . ARG F 15 ? 0.2609 0.2475 0.3148 -0.0519 0.0546  0.0078  14 ARG F NH1 
1148 N NH2 . ARG F 15 ? 0.3573 0.3090 0.3567 -0.0304 0.0655  0.0235  14 ARG F NH2 
1149 N N   . GLY F 16 ? 0.1096 0.1358 0.1372 -0.0481 0.0005  -0.0052 15 GLY F N   
1150 C CA  . GLY F 16 ? 0.1003 0.1295 0.1363 -0.0447 -0.0065 -0.0117 15 GLY F CA  
1151 C C   . GLY F 16 ? 0.1587 0.1799 0.1832 -0.0374 -0.0073 -0.0095 15 GLY F C   
1152 O O   . GLY F 16 ? 0.1142 0.1251 0.1262 -0.0363 0.0017  -0.0018 15 GLY F O   
1153 N N   . ASP F 17 ? 0.1088 0.1339 0.1415 -0.0315 -0.0166 -0.0180 16 ASP F N   
1154 C CA  . ASP F 17 ? 0.1292 0.1459 0.1488 -0.0218 -0.0186 -0.0170 16 ASP F CA  
1155 C C   . ASP F 17 ? 0.1184 0.1356 0.1466 -0.0324 -0.0089 -0.0107 16 ASP F C   
1156 O O   . ASP F 17 ? 0.0981 0.1238 0.1439 -0.0437 -0.0052 -0.0113 16 ASP F O   
1157 C CB  . ASP F 17 ? 0.1346 0.1591 0.1668 -0.0110 -0.0348 -0.0323 16 ASP F CB  
1158 C CG  . ASP F 17 ? 0.2875 0.3056 0.2988 0.0100  -0.0493 -0.0412 16 ASP F CG  
1159 O OD1 . ASP F 17 ? 0.2822 0.2930 0.2760 0.0120  -0.0456 -0.0356 16 ASP F OD1 
1160 O OD2 . ASP F 17 ? 0.3212 0.3415 0.3332 0.0268  -0.0659 -0.0556 16 ASP F OD2 
1161 N N   . LYS F 18 ? 0.1518 0.1563 0.1640 -0.0260 -0.0035 -0.0048 17 LYS F N   
1162 C CA  . LYS F 18 ? 0.1191 0.1242 0.1412 -0.0344 0.0038  -0.0016 17 LYS F CA  
1163 C C   . LYS F 18 ? 0.1200 0.1343 0.1568 -0.0346 -0.0044 -0.0087 17 LYS F C   
1164 O O   . LYS F 18 ? 0.1210 0.1372 0.1575 -0.0237 -0.0155 -0.0167 17 LYS F O   
1165 C CB  . LYS F 18 ? 0.1986 0.1846 0.2034 -0.0273 0.0157  0.0063  17 LYS F CB  
1166 C CG  . LYS F 18 ? 0.1420 0.1287 0.1619 -0.0369 0.0240  0.0076  17 LYS F CG  
1167 C CD  . LYS F 18 ? 0.2711 0.2388 0.2750 -0.0266 0.0331  0.0132  17 LYS F CD  
1168 C CE  . LYS F 18 ? 0.2199 0.1773 0.2379 -0.0342 0.0528  0.0168  17 LYS F CE  
1169 N NZ  . LYS F 18 ? 0.1864 0.1621 0.2343 -0.0489 0.0479  0.0086  17 LYS F NZ  
1170 N N   . GLY F 19 ? 0.1043 0.1238 0.1554 -0.0448 0.0006  -0.0079 18 GLY F N   
1171 C CA  . GLY F 19 ? 0.0934 0.1181 0.1596 -0.0453 -0.0020 -0.0129 18 GLY F CA  
1172 C C   . GLY F 19 ? 0.1059 0.1242 0.1630 -0.0368 -0.0049 -0.0126 18 GLY F C   
1173 O O   . GLY F 19 ? 0.1265 0.1327 0.1649 -0.0328 0.0009  -0.0056 18 GLY F O   
1174 N N   . GLU F 20 ? 0.1706 0.1957 0.2439 -0.0330 -0.0118 -0.0212 19 GLU F N   
1175 C CA  . GLU F 20 ? 0.1468 0.1660 0.2102 -0.0225 -0.0160 -0.0221 19 GLU F CA  
1176 C C   . GLU F 20 ? 0.1983 0.2117 0.2598 -0.0305 -0.0050 -0.0137 19 GLU F C   
1177 O O   . GLU F 20 ? 0.1142 0.1307 0.1859 -0.0419 0.0023  -0.0112 19 GLU F O   
1178 C CB  . GLU F 20 ? 0.1832 0.2143 0.2718 -0.0148 -0.0292 -0.0381 19 GLU F CB  
1179 C CG  . GLU F 20 ? 0.1962 0.2379 0.3013 -0.0088 -0.0416 -0.0525 19 GLU F CG  
1180 C CD  . GLU F 20 ? 0.1737 0.2296 0.3134 0.0012  -0.0574 -0.0748 19 GLU F CD  
1181 O OE1 . GLU F 20 ? 0.2737 0.3325 0.4302 -0.0010 -0.0547 -0.0771 19 GLU F OE1 
1182 O OE2 . GLU F 20 ? 0.1417 0.2068 0.2953 0.0121  -0.0735 -0.0924 19 GLU F OE2 
1183 N N   . HYP F 21 ? 0.1800 0.1824 0.2249 -0.0214 -0.0039 -0.0103 20 HYP F N   
1184 C CA  . HYP F 21 ? 0.1462 0.1417 0.1903 -0.0283 0.0068  -0.0036 20 HYP F CA  
1185 C C   . HYP F 21 ? 0.1429 0.1481 0.2083 -0.0362 0.0066  -0.0075 20 HYP F C   
1186 O O   . HYP F 21 ? 0.1864 0.2007 0.2693 -0.0336 0.0001  -0.0155 20 HYP F O   
1187 C CB  . HYP F 21 ? 0.1576 0.1358 0.1786 -0.0141 0.0101  0.0009  20 HYP F CB  
1188 C CG  . HYP F 21 ? 0.2569 0.2254 0.2531 0.0035  0.0043  0.0002  20 HYP F CG  
1189 C CD  . HYP F 21 ? 0.1593 0.1498 0.1793 -0.0006 -0.0112 -0.0120 20 HYP F CD  
1190 O OD1 . HYP F 21 ? 0.3103 0.2632 0.2904 0.0037  0.0182  0.0093  20 HYP F OD1 
1191 N N   . GLY F 22 ? 0.1203 0.1221 0.1864 -0.0440 0.0146  -0.0036 21 GLY F N   
1192 C CA  . GLY F 22 ? 0.1239 0.1276 0.2002 -0.0472 0.0171  -0.0051 21 GLY F CA  
1193 C C   . GLY F 22 ? 0.1113 0.1130 0.1893 -0.0411 0.0150  -0.0061 21 GLY F C   
1194 O O   . GLY F 22 ? 0.1374 0.1314 0.2012 -0.0337 0.0139  -0.0037 21 GLY F O   
1195 N N   . GLU F 23 ? 0.1033 0.1234 0.2264 -0.0417 0.0289  -0.0652 22 GLU F N   
1196 C CA  . GLU F 23 ? 0.1751 0.2019 0.2956 -0.0437 0.0311  -0.0593 22 GLU F CA  
1197 C C   . GLU F 23 ? 0.1900 0.2139 0.2893 -0.0423 0.0299  -0.0540 22 GLU F C   
1198 O O   . GLU F 23 ? 0.1055 0.1163 0.1885 -0.0349 0.0285  -0.0506 22 GLU F O   
1199 C CB  . GLU F 23 ? 0.2056 0.2223 0.3444 -0.0442 0.0429  -0.0525 22 GLU F CB  
1200 C CG  . GLU F 23 ? 0.2513 0.2468 0.3748 -0.0372 0.0535  -0.0371 22 GLU F CG  
1201 C CD  . GLU F 23 ? 0.2869 0.2703 0.4310 -0.0379 0.0702  -0.0294 22 GLU F CD  
1202 O OE1 . GLU F 23 ? 0.1528 0.1485 0.3090 -0.0408 0.0726  -0.0293 22 GLU F OE1 
1203 O OE2 . GLU F 23 ? 0.3287 0.2894 0.4747 -0.0334 0.0804  -0.0240 22 GLU F OE2 
1204 N N   . LYS F 24 ? 0.1289 0.1640 0.2235 -0.0454 0.0284  -0.0534 23 LYS F N   
1205 C CA  . LYS F 24 ? 0.0926 0.1229 0.1633 -0.0425 0.0270  -0.0477 23 LYS F CA  
1206 C C   . LYS F 24 ? 0.1893 0.2014 0.2468 -0.0335 0.0316  -0.0360 23 LYS F C   
1207 O O   . LYS F 24 ? 0.1115 0.1165 0.1768 -0.0304 0.0395  -0.0287 23 LYS F O   
1208 C CB  . LYS F 24 ? 0.1530 0.1937 0.2182 -0.0445 0.0261  -0.0470 23 LYS F CB  
1209 C CG  . LYS F 24 ? 0.1762 0.2103 0.2176 -0.0433 0.0256  -0.0433 23 LYS F CG  
1210 C CD  . LYS F 24 ? 0.1893 0.2314 0.2206 -0.0447 0.0248  -0.0455 23 LYS F CD  
1211 C CE  . LYS F 24 ? 0.1650 0.2075 0.1902 -0.0387 0.0249  -0.0385 23 LYS F CE  
1212 N NZ  . LYS F 24 ? 0.2178 0.2532 0.2172 -0.0354 0.0260  -0.0342 23 LYS F NZ  
1213 N N   . GLY F 25 ? 0.1089 0.1132 0.1472 -0.0289 0.0278  -0.0353 24 GLY F N   
1214 C CA  . GLY F 25 ? 0.1234 0.1103 0.1438 -0.0173 0.0298  -0.0265 24 GLY F CA  
1215 C C   . GLY F 25 ? 0.2019 0.1859 0.2161 -0.0150 0.0364  -0.0158 24 GLY F C   
1216 O O   . GLY F 25 ? 0.1171 0.1135 0.1386 -0.0216 0.0367  -0.0166 24 GLY F O   
1217 N N   . PRO F 26 ? 0.2103 0.1775 0.2089 -0.0030 0.0415  -0.0062 25 PRO F N   
1218 C CA  . PRO F 26 ? 0.1475 0.1123 0.1413 0.0004  0.0492  0.0037  25 PRO F CA  
1219 C C   . PRO F 26 ? 0.1523 0.1187 0.1306 0.0009  0.0427  0.0024  25 PRO F C   
1220 O O   . PRO F 26 ? 0.1694 0.1333 0.1378 0.0007  0.0344  -0.0048 25 PRO F O   
1221 C CB  . PRO F 26 ? 0.2055 0.1483 0.1821 0.0154  0.0581  0.0145  25 PRO F CB  
1222 C CG  . PRO F 26 ? 0.2830 0.2154 0.2442 0.0238  0.0489  0.0084  25 PRO F CG  
1223 C CD  . PRO F 26 ? 0.2524 0.2019 0.2324 0.0108  0.0391  -0.0053 25 PRO F CD  
1224 N N   . ARG F 27 ? 0.1794 0.1501 0.1589 0.0014  0.0476  0.0084  26 ARG F N   
1225 C CA  . ARG F 27 ? 0.2057 0.1743 0.1691 0.0033  0.0433  0.0089  26 ARG F CA  
1226 C C   . ARG F 27 ? 0.1635 0.1145 0.1031 0.0143  0.0406  0.0104  26 ARG F C   
1227 O O   . ARG F 27 ? 0.1773 0.1169 0.1073 0.0254  0.0451  0.0160  26 ARG F O   
1228 C CB  . ARG F 27 ? 0.1470 0.1234 0.1163 0.0057  0.0486  0.0147  26 ARG F CB  
1229 C CG  . ARG F 27 ? 0.1968 0.1730 0.1520 0.0068  0.0437  0.0144  26 ARG F CG  
1230 C CD  . ARG F 27 ? 0.2418 0.2236 0.2002 0.0141  0.0485  0.0200  26 ARG F CD  
1231 N NE  . ARG F 27 ? 0.1997 0.2007 0.1736 0.0111  0.0449  0.0147  26 ARG F NE  
1232 C CZ  . ARG F 27 ? 0.1474 0.1610 0.1327 0.0171  0.0464  0.0148  26 ARG F CZ  
1233 N NH1 . ARG F 27 ? 0.1781 0.1872 0.1626 0.0248  0.0544  0.0217  26 ARG F NH1 
1234 N NH2 . ARG F 27 ? 0.1732 0.2055 0.1710 0.0170  0.0395  0.0065  26 ARG F NH2 
1235 N N   . GLY F 28 ? 0.1658 0.1128 0.0951 0.0124  0.0339  0.0048  27 GLY F N   
1236 C CA  . GLY F 28 ? 0.2225 0.1548 0.1331 0.0229  0.0289  0.0019  27 GLY F CA  
1237 C C   . GLY F 28 ? 0.2355 0.1579 0.1290 0.0364  0.0341  0.0120  27 GLY F C   
1238 O O   . GLY F 28 ? 0.1938 0.1222 0.0924 0.0357  0.0417  0.0204  27 GLY F O   
1239 N N   . LEU F 29 ? 0.2679 0.1765 0.1416 0.0504  0.0293  0.0092  28 LEU F N   
1240 C CA  . LEU F 29 ? 0.2694 0.1667 0.1225 0.0659  0.0347  0.0181  28 LEU F CA  
1241 C C   . LEU F 29 ? 0.2351 0.1306 0.0837 0.0638  0.0331  0.0177  28 LEU F C   
1242 O O   . LEU F 29 ? 0.2319 0.1280 0.0869 0.0535  0.0268  0.0091  28 LEU F O   
1243 C CB  . LEU F 29 ? 0.2846 0.1664 0.1126 0.0853  0.0280  0.0134  28 LEU F CB  
1244 C CG  . LEU F 29 ? 0.3710 0.2475 0.1938 0.0940  0.0322  0.0178  28 LEU F CG  
1245 C CD1 . LEU F 29 ? 0.3295 0.1960 0.1325 0.1107  0.0174  0.0049  28 LEU F CD1 
1246 C CD2 . LEU F 29 ? 0.3706 0.2424 0.1926 0.1021  0.0491  0.0315  28 LEU F CD2 
1247 N N   . HYP F 30 ? 0.3202 0.2134 0.1623 0.0731  0.0399  0.0264  29 HYP F N   
1248 C CA  . HYP F 30 ? 0.2438 0.1361 0.0844 0.0726  0.0384  0.0263  29 HYP F CA  
1249 C C   . HYP F 30 ? 0.2819 0.1558 0.1012 0.0791  0.0290  0.0173  29 HYP F C   
1250 O O   . HYP F 30 ? 0.3324 0.1973 0.1389 0.0890  0.0221  0.0096  29 HYP F O   
1251 C CB  . HYP F 30 ? 0.2840 0.1821 0.1306 0.0815  0.0468  0.0334  29 HYP F CB  
1252 C CG  . HYP F 30 ? 0.3596 0.2551 0.2055 0.0899  0.0540  0.0372  29 HYP F CG  
1253 C CD  . HYP F 30 ? 0.2476 0.1438 0.0964 0.0813  0.0506  0.0346  29 HYP F CD  
1254 O OD1 . HYP F 30 ? 0.4847 0.3879 0.3440 0.0921  0.0673  0.0460  29 HYP F OD1 
1255 N N   . GLY F 31 ? 0.3051 0.1729 0.1207 0.0748  0.0285  0.0168  30 GLY F N   
1256 C CA  . GLY F 31 ? 0.3206 0.1709 0.1248 0.0782  0.0213  0.0066  30 GLY F CA  
1257 C C   . GLY F 31 ? 0.3565 0.1974 0.1443 0.0941  0.0220  0.0106  30 GLY F C   
1258 O O   . GLY F 31 ? 0.3465 0.1998 0.1461 0.0953  0.0289  0.0185  30 GLY F O   
# 
