PDB-5h9f: Crystal structure of E. coli Cascade bound to a PAM-containing ds...

ID or keywords:

Entry

Database: PDB / ID: 5h9f

Title

Crystal structure of E. coli Cascade bound to a PAM-containing dsDNA target at 2.45 angstrom resolution.

Components

(CRISPR system Cascade subunit ...) x 5
DNA (28-MER) Non-target
DNA (50-MER) Target
crRNA (61-MER)

Keywords

Immune System/RNA / CRISPR Cascade / Immune System-RNA Complex

Function / homology

Function and homology information

CRISPR-cas system / DNA/RNA hybrid binding / maintenance of CRISPR repeat elements / RNA processing / RNA endonuclease activity / defense response to virus / nucleic acid binding / Hydrolases; Acting on ester bonds / protein-containing complex / DNA binding ...
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.45 Å

Authors

Hayes, R.P. / Xiao, Y. / Ding, F. / van Erp, P.B.G. / Rajashankar, K. / Bailey, S. / Wiedenheft, B. / Ke, A.

Citation

Journal: Nature / Year: 2016
Title: Structural basis for promiscuous PAM recognition in type I-E Cascade from E. coli.
Authors: Hayes, R.P. / Xiao, Y. / Ding, F. / van Erp, P.B. / Rajashankar, K. / Bailey, S. / Wiedenheft, B. / Ke, A.

History

Deposition	Dec 28, 2015	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 17, 2016	Provider: repository / Type: Initial release
Revision 1.1	Feb 24, 2016	Group: Database references
Revision 1.2	Mar 9, 2016	Group: Database references
Revision 1.3	Sep 27, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / citation / database_2 / pdbx_initial_refinement_model / pdbx_struct_oper_list / struct_conn / struct_conn_type Item: _chem_comp.type / _citation.journal_id_CSD ..._chem_comp.type / _citation.journal_id_CSD / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_oper_list.symmetry_operation / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn_type.id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5h9f.cif.gz	1.4 MB	Display	PDBx/mmCIF format
PDB format	pdb5h9f.ent.gz	1.1 MB	Display	PDB format
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Validation report

Summary document	5h9f_validation.pdf.gz	564 KB	Display	wwPDB validaton report
Full document	5h9f_full_validation.pdf.gz	611 KB	Display
Data in XML	5h9f_validation.xml.gz	123.2 KB	Display
Data in CIF	5h9f_validation.cif.gz	178.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/h9/5h9f ftp://data.pdbj.org/pub/pdb/validation_reports/h9/5h9f	HTTPS FTP

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Related structure data

Related structure data	5h9eC 4qyzS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	5cd4-1 4u7u-2 4tvx-1 5cd4-2 7037 0626 3vc2-d 5h9e-d Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#181 - Jan 2015 Cascade and CRISPR similarity (21) #253 - Jan 2021 Expressome similarity (2) #121 - Jan 2010 70S Ribosomes similarity (1) #130 - Oct 2010 Riboswitches similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1) #67 - Jul 2005 TATA-Binding Protein similarity (1) #157 - Jan 2013 Transfer-Messenger RNA similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #87 - Mar 2007 Zinc Fingers similarity (2) #91 - Jul 2007 Thymine Dimers similarity (1) #229 - Jan 2019 Fluorescent RNA Aptamers similarity (1) #260 - Aug 2021 Ribonuclease P similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #227 - Nov 2018 Telomerase similarity (2) #146 - Feb 2012 Aminoglycoside Antibiotics similarity (1) #15 - Mar 2001 Transfer RNA similarity (1) #249 - Sep 2020 SARS-CoV-2 RNA-dependent RNA Polymerase similarity (1) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #135 - Mar 2011 Integrase similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #84 - Dec 2006 Transposase similarity (1) #10 - Oct 2000 Ribosome similarity (1) #210 - Jun 2017 Adenine Riboswitch in Action similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #105 - Sep 2008 Ribonuclease A similarity (1) #226 - Oct 2018 Aminoglycoside Antibiotics and Resistance similarity (1) #245 - May 2020 Spliceosomes similarity (1) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (1) #65 - May 2005 Self-splicing RNA similarity (1) #98 - Feb 2008 Small Interfering RNA similarity (1) #119 - Nov 2009 Designed DNA Crystal similarity (1) #125 - May 2010 Parvoviruses similarity (1) #131 - Nov 2010 Inteins similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #23 - Nov 2001 DNA similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #104 - Aug 2008 Selenocysteine Synthase similarity (1) #106 - Oct 2008 Poly(A) Polymerase similarity (1) #143 - Nov 2011 Toll-like Receptors similarity (1) #161 - May 2013 Ricin similarity (1) #230 - Feb 2019 Initiation Factor eIF4E similarity (1) #266 - Feb 2022 Oligosaccharyltransferase similarity (1) #81 - Sep 2006 Elongation Factors similarity (1) #89 - May 2007 Aconitase and Iron Regulatory Protein 1 similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (2)

PDB pages

PDBj /

wwPDB /

NCBI

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Deposited unit

A: CRISPR system Cascade subunit CasA

B: CRISPR system Cascade subunit CasB

C: CRISPR system Cascade subunit CasB

D: CRISPR system Cascade subunit CasC

E: CRISPR system Cascade subunit CasC

F: CRISPR system Cascade subunit CasC

G: CRISPR system Cascade subunit CasC

H: CRISPR system Cascade subunit CasC

I: CRISPR system Cascade subunit CasC

J: CRISPR system Cascade subunit CasD

L: crRNA (61-MER)

M: DNA (28-MER) Non-target

N: DNA (50-MER) Target

K: CRISPR system Cascade subunit CasE

hetero molecules

426 kDa, 14 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	92.979, 150.059, 400.546
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	18
Space group name H-M	P22₁2₁

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CRISPR system Cascade subunit ... , 5 types, 11 molecules ABCDEFGHIJK

#1: Protein	CRISPR system Cascade subunit CasA / CRISPR type I-E/Ecoli-associated protein CasA/Cse1 / CRISPR-associated protein CasA/Cse1 Mass: 55964.957 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (strain K12) (bacteria) Strain: K12 / Gene: casA, cse1, ygcL, b2760, JW2730 / Production host: Escherichia coli (E. coli) / References: UniProt: Q46901
#2: Protein	CRISPR system Cascade subunit CasB Mass: 19231.049 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (strain K12) (bacteria) Strain: K12 / Gene: casB, cse2, ygcK, b2759, JW2729 / Production host: Escherichia coli (E. coli) / References: UniProt: P76632
#3: Protein	CRISPR system Cascade subunit CasC Mass: 40071.402 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (strain K12) (bacteria) Strain: K12 / Gene: casC, cas4, cse4, ygcJ, b2758, JW2728 / Production host: Escherichia coli (E. coli) / References: UniProt: Q46899
#4: Protein	CRISPR system Cascade subunit CasD Mass: 25239.803 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (strain K12) (bacteria) Strain: K12 / Gene: casD, cas5, ygcI, b2757, JW5844 / Production host: Escherichia coli (E. coli) / References: UniProt: Q46898
#8: Protein	CRISPR system Cascade subunit CasE / CasE endoRNase / crRNA endonuclease Mass: 22324.002 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (strain K12) (bacteria) Strain: K12 / Gene: casE, cas6e, ygcH, b2756, JW2726 / Production host: Escherichia coli (E. coli) References: UniProt: Q46897, Hydrolases; Acting on ester bonds

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RNA chain , 1 types, 1 molecules L

#5: RNA chain	crRNA (61-MER) Mass: 19677.646 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Production host: Escherichia coli (E. coli)

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DNA chain , 2 types, 2 molecules MN

#6: DNA chain	DNA (28-MER) Non-target Mass: 8598.531 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Escherichia coli (E. coli)
#7: DNA chain	DNA (50-MER) Target Mass: 15389.893 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Escherichia coli (E. coli)

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Non-polymers , 2 types, 1051 molecules

#9: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Zn
#10: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1050 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 3.29 Å³/Da / Density % sol: 62.58 %
Crystal grow	Temperature: 291.95 K / Method: vapor diffusion, hanging drop / pH: 6.2 / Details: 1.6 M Na/K Phosphate

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.979 Å
Detector	Type: PSI PILATUS 6M / Detector: PIXEL / Date: Aug 25, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 2.45→50 Å / Num. obs: 205485 / % possible obs: 99.7 % / Redundancy: 12.1 % / R_merge(I) obs: 0.169 / Net I/σ(I): 12.9

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Processing

Software

Name	Version	Classification
PHENIX	1.8.4_1496	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4QYZ

4qyz

Resolution: 2.45→49.87 Å / SU ML: 0.3 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.67 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.233	2000	0.97 %
R_work	0.206	-	-
obs	0.206	205248	99.6 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 2.45→49.87 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	24982	2897	1	1050	28930

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	28672
X-RAY DIFFRACTION	f_angle_d	0.784	39437
X-RAY DIFFRACTION	f_dihedral_angle_d	17.348	10725
X-RAY DIFFRACTION	f_chiral_restr	0.034	4511
X-RAY DIFFRACTION	f_plane_restr	0.003	4635

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.4506-2.5119	0.3192	138	0.2956	13991	X-RAY DIFFRACTION	97
2.5119-2.5798	0.3272	142	0.2858	14358	X-RAY DIFFRACTION	100
2.5798-2.6557	0.3132	141	0.2693	14421	X-RAY DIFFRACTION	100
2.6557-2.7414	0.3027	142	0.2572	14396	X-RAY DIFFRACTION	100
2.7414-2.8394	0.3037	142	0.2555	14399	X-RAY DIFFRACTION	100
2.8394-2.9531	0.2976	142	0.2519	14463	X-RAY DIFFRACTION	100
2.9531-3.0875	0.2831	143	0.2454	14484	X-RAY DIFFRACTION	100
3.0875-3.2502	0.3043	142	0.2321	14436	X-RAY DIFFRACTION	100
3.2502-3.4538	0.2876	142	0.2218	14557	X-RAY DIFFRACTION	100
3.4538-3.7204	0.2342	143	0.2007	14552	X-RAY DIFFRACTION	100
3.7204-4.0946	0.1988	144	0.178	14563	X-RAY DIFFRACTION	100
4.0946-4.6867	0.1678	144	0.1581	14666	X-RAY DIFFRACTION	100
4.6867-5.9033	0.1744	146	0.1717	14763	X-RAY DIFFRACTION	100
5.9033-49.8842	0.2033	149	0.1902	15199	X-RAY DIFFRACTION	100

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	0.1247	0.2092	-0.0896	0.2148	-0.0477	0.0988	0.0429	0.1044	0.2069	-0.3784	-0.1061	0.0593	0.0166	0.0628	-0	0.3591	0.163	0.1091	0.5097	0.0386	0.1167	9.4866	-1.7199	-131.7905
2	0.2912	-0.0953	0.0403	0.219	0.0986	0.0117	0.0755	0.0202	-0.1006	-0.0654	-0.0435	-0.0307	0.029	-0.0014	-0	0.2666	0.0721	-0.0102	0.3359	0.0057	0.2215	1.0177	-4.5634	-123.9969
3	0.139	0.0976	-0.1608	0.2247	0.0377	0.2039	0.0193	0.0283	0.043	-0.0201	-0.0209	-0.003	-0.0134	0.0037	0	0.1337	0.0113	-0.0207	0.2498	0.0143	0.2198	-5.032	0.4795	-95.1885
4	0.0103	-0.0005	-0.0072	0.0147	0.0004	0.0051	0.0693	0.0931	0.0315	-0.054	-0.0069	-0.0276	-0.0196	0.0274	-0	0.9351	-0.3693	0.2032	0.6473	-0.1011	0.5295	-3.7299	46.4801	-48.262
5	0.0013	0.0019	-0.0026	0.0022	0.0017	0.0028	-0.0327	-0.0081	-0.0076	-0.0036	-0.0625	-0.0244	-0.0306	0.037	-0	1.0139	-0.2363	0.1554	0.4139	-0.1145	0.5394	-8.8278	51.5238	-35.0785
6	0.0061	-0.0048	-0.006	0.0052	0.0016	0.0044	0.0111	-0.0079	0.0186	-0.0114	0.0234	0.0917	0.0029	-0.0143	0	0.9429	0.1408	0.1352	0.655	-0.0891	0.4678	-20.7068	48.4791	-39.4514
7	0.0008	-0.0007	-0.0044	0.0097	-0.0038	0.0006	0.0333	0.0241	0.0528	-0.0095	0.0409	0.023	-0.0159	0.0056	-0	1.1092	-0.0489	0.2679	0.3539	0.0109	0.7937	-12.8204	54.2564	-47.9786
8	-0.0086	-0.0027	0.0016	0.0057	0.0033	0.002	0.016	0.0714	-0.0537	0.0075	-0.0451	-0.0229	0.0065	-0.0771	0	0.7621	-0.086	0.0713	0.377	-0.0334	0.3876	-15.1302	44.6934	-47.669
9	0.0039	0.0031	0.0033	0.0039	0.0009	0.0017	0.0032	0.0226	-0.011	-0.0255	-0.0196	-0.0006	0.0207	0.0187	0	0.8888	-0.2626	-0.0424	0.8294	-0.0212	0.6862	-2.0044	38.3464	-39.7199
10	0.0422	0.0022	-0.0117	0.0604	0.0004	0.0402	0.0163	0.0478	-0.1288	0.0659	0.0567	0.0561	-0.0725	0.0531	0	0.4214	-0.0996	0.0489	0.4189	-0.0773	0.3589	-13.2065	29.4286	-41.8704
11	0.0405	0.0255	-0.0229	0.0228	0.0064	0.0049	0.0982	0.0852	-0.1785	-0.0812	0.1763	-0.0174	-0.1256	0.0302	0	0.3989	-0.0967	0.0173	0.4331	-0.0927	0.3335	-10.1151	29.1546	-49.3829
12	0.0074	-0.0136	0.0073	0.0195	0.0071	0.0138	0.0119	0.0254	-0.0423	-0.0468	0.0646	-0.0314	0.0052	0.1392	0	0.2757	0.0646	-0.02	0.3649	-0.0107	0.3087	-9.1299	1.6583	-57.7877
13	0.0384	0.0028	0.0074	0.026	0.038	0.0461	0.1087	-0.039	0.0169	0.1363	0.0926	0.0716	-0.0047	0.1518	-0	0.2732	-0.0229	0.0024	0.3604	-0.0273	0.3098	-16.2425	11.9059	-53.2409
14	0.0527	-0.0189	-0.0064	0.0259	0.0231	0.0797	0.0256	0.0098	-0.0651	0.1329	0.0637	0.0224	0.0757	0.1808	-0	0.2017	0.033	-0.0395	0.2554	-0.0159	0.2695	-16.9238	0.7539	-65.3829
15	-0.0019	0.0107	-0.0141	0.0138	-0.0033	0.0087	-0.0838	0.1648	0.1144	-0.1487	-0.0112	0.0996	-0.1545	-0.0341	-0	0.1701	0.0056	-0.0338	0.2159	-0.0098	0.2093	-25.8563	7.0721	-72.0756
16	0.0148	-0.0242	0.0254	0.0168	0.0349	0.0073	-0.0452	0.0317	0.1445	-0.1079	0.0372	-0.108	-0.0059	0.2959	0	0.2148	0.041	-0.0056	0.269	0.0032	0.2571	-15.7818	1.2206	-73.5023
17	-0.032	-0.1109	0.0098	0.0934	0.1321	0.0528	-0.1661	-0.3013	-0.7053	0.2944	-0.6558	-1.0019	-0.7315	0.7721	-0	1.0325	-0.5203	-0.1937	-0.3431	-0.9694	-0.4156	-8.2056	54.2102	-11.1111
18	-0.184	-0.3765	0.2467	-0.2231	0.258	-0.1346	-0.1179	-0.4887	-0.8295	0.3296	-1.0435	-1.3732	-0.6804	1.0612	0	0.9541	-0.21	-0.1583	0.2329	-0.3917	-0.0932	-9.1049	45.114	-5.025
19	-0.1199	-0.101	0.0184	-0.1054	0.1772	-0.04	0.1558	0.0283	-0.2375	0.2444	0.2701	0.337	-0.2968	-0.2933	-0	0.6669	0.3541	0.6168	-2.5856	-3.8158	-4.71	-32.1973	53.2929	-0.0962
20	0.0066	0.0004	-0.0026	0.0006	-0.0015	0.0077	0.0005	-0.0468	-0.1016	0.0397	0.0092	0.0386	-0.0395	-0.0226	-0	1.1009	-0.0523	0.1421	0.8033	-0.1687	0.4999	-34.3607	56.7449	10.9042
21	0.001	-0.0028	0.0017	0.0033	0.0046	0.0076	0.0306	-0.049	0.0079	0.0223	0.0349	-0.0206	0.0169	0.0694	0	1.2956	-0.1043	-0.0454	0.4562	-0.0221	0.3777	-23.747	54.1274	11.8923
22	0.0479	-0.098	0.031	0.051	0.0447	0.0435	0.0013	-0.321	-0.4557	0.0084	-0.2842	-0.3862	-0.1674	0.2556	0	0.7074	-0.0564	0.0846	0.2786	-0.161	0.177	-31.5142	34.4806	-17.962
23	0.0552	-0.0121	-0.0559	0.0496	-0.07	0.1063	-0.008	0.0126	0.0043	0.1876	-0.0415	0.0373	0.0477	0.0591	-0	0.5871	-0.0291	-0.0021	0.3422	-0.038	0.2696	-17.4269	7.3644	-11.6732
24	-0.0242	-0.0623	0.0324	-0.0196	0.0656	0.0244	-0.4117	-0.0974	0.1135	0.2206	-0.5309	-0.5847	-0.5033	0.6832	-0	0.5387	0.097	0.0766	-1.186	-1.5072	-1.3296	-23.2787	43.6959	-20.9993
25	0.0727	0.1274	-0.1108	0.0226	0.0333	0.2063	0.0142	-0.0594	-0.1437	0.4587	0.0653	0.2863	-0.3375	-0.1474	-0	0.7525	0.0353	0.1634	0.3829	-0.1015	0.2853	-42.173	32.7348	-13.0825
26	-0.0754	-0.0674	-0.0031	0.1459	0.0557	0.1965	0.0612	-0.09	-0.013	0.1974	-0.0501	0.0215	-0.0244	-0.0673	0	0.2773	-0.0265	0.0364	0.2525	-0.0205	0.2482	-42.1243	5.8089	-36.3996
27	0.0108	0.0118	-0.0013	0.0058	0.0066	0.0084	0.1325	-0.0857	-0.0657	0.0106	0.1117	0.0477	-0.0179	0.0151	0	0.5513	-0.1116	-0.0081	0.3745	0.0032	0.4272	-52.3389	-17.4462	-42.4024
28	0.2347	-0.2736	0.0518	-0.0019	-0.1587	0.494	-0.0017	-0.06	-0.0188	0.1071	-0.0022	0.086	-0.1336	-0.1449	-0	0.2578	0.0273	0.1002	0.2763	-0.0766	0.2334	-50.8828	21.1144	-37.9643
29	0.0838	-0.0283	0.0127	0.0088	-0.0284	0.1603	-0.0069	-0.0354	-0.0013	0.1425	0.0497	0.0425	-0.0194	-0.0059	-0	0.1221	0.013	0.0157	0.2063	0.0057	0.2392	-51.2403	11.5221	-66.5798
30	0.0128	-0.0099	0.008	0.0003	0.0131	0.0239	0.0518	-0.0775	-0.2072	0.1228	0.1282	-0.0142	-0.0412	0.0952	0	0.1827	-0.0272	-0.059	0.244	0.0123	0.3775	-54.0726	-9.2794	-77.6861
31	0.0869	0.1209	0.0143	0.1482	-0.2828	0.1272	-0.014	0.0134	0.0492	0.0932	0.0665	0.1022	0.0027	0.0137	-0	0.0903	0.0348	0.0166	0.2067	-0.0216	0.2707	-53.8891	10.5602	-72.2676
32	0.1969	0.0494	-0.0056	0.0838	0.2836	0.1597	0.2775	-0.2606	0.1115	0.4074	-0.2654	0.1829	-0.4206	0.3209	-0	-0.0282	0.2889	0.0517	-0.0198	-0.0951	0.3775	-53.6779	33.1783	-66.5167
33	0.127	0.0107	-0.0124	0.0238	0.0341	0.0481	-0.1891	0.0272	-0.0536	0.1732	0.1267	0.1675	0.3843	0.1039	0	-0.2676	-0.0192	-0.1317	0.1368	0.0149	0.2322	-36.2336	26.1296	-87.9287
34	-0.0071	-0.0151	-0.011	-0.0113	0.0176	0.0084	0.3582	-0.009	0.3797	-0.1797	0.3918	0.3711	-0.0205	-0.1945	0	-1.1046	-0.5977	-1.528	0.1878	-0.4056	-0.7171	-49.295	11.5625	-111.9604
35	0.0257	-0.0066	0.0095	-0.0261	0.0043	0.0044	-0.044	-0.1286	0.1751	-0.3327	0.2048	0.359	0.1035	0.0342	-0	-0.8942	0.1406	-1.3552	0.2848	0.3321	-0.6795	-44.2171	21.8427	-119.0422
36	0.0549	-0.008	0.0048	0.0473	0.0053	-0.0053	0.0372	0.0187	-0.0045	-0.0012	0.0403	0.0235	0.1535	-0.0332	0	0.1297	0.0181	-0.0578	0.1881	0.0055	0.1733	-31.3257	27.8432	-90.8327
37	0.0139	-0.0059	0.0324	0.0054	-0.0089	0.0161	-0.0433	-0.0283	0.0648	0.0455	0.0459	-0.0367	0.0367	-0.0385	0	0.1558	0.0097	-0.0009	0.1808	0.0027	0.2501	-40.7151	7.689	-68.4856
38	0.033	0.0536	-0.0339	0.0629	-0.0426	-0.0126	0.0864	-0.0695	0.2235	0.2856	-0.0542	0.3036	-0.0539	-0.0853	-0	-0.0323	0.0971	-0.1223	0.1365	0.0843	0.3178	-41.1163	34.3083	-93.5665
39	0.0269	0.0167	0.0197	0.0018	-0.0181	0.005	-0.0511	0.089	0.2543	-0.0339	-0.0531	-0.0063	-0.0079	0.0167	-0	0.2139	-0.054	-0.0453	0.2128	0.0337	0.2836	-26.011	38.0439	-83.4271
40	-0.0086	0.0199	-0.0171	-0.0091	0.004	-0.0023	-0.1443	-0.1368	0.2259	0.1919	-0.0346	-0.0023	-0.1078	-0.0443	-0	0.2238	0.0119	-0.0625	0.2134	-0.0305	0.334	-26.4667	44.9865	-83.9556
41	0.0349	-0.0078	-0.0241	0.0096	0.0128	0.0096	-0.0245	-0.1354	0.1091	0.0468	-0.0512	0.0623	-0.1763	-0.103	-0	0.2733	0.0522	-0.0224	0.2674	0.0467	0.4476	-41.0761	47.6594	-90.7623
42	0.0444	-0.0674	-0.0359	0.0293	-0.0319	0.0272	0.0597	0.0533	0.0768	0.0574	-0.0063	0.0285	0.0992	0.0044	-0	0.1051	-0.0078	-0.0201	0.1817	0.014	0.2611	-12.1109	28.4424	-98.0823
43	0.0293	0.0097	-0.0058	0.0266	0.0224	0.0049	-0.0689	0.0568	0.1428	0.2104	0.0222	0.031	0.0657	0.1034	-0	0.0888	-0.0144	0.0003	0.175	0.0351	0.2014	-11.5237	27.8881	-101.125
44	-0.0012	-0.0011	-0.0051	0.003	-0.0049	-0.0001	-0.1223	-0.24	0.2165	-0.1525	-0.218	0.1435	-0.0673	-0.1436	-0	0.224	0.1405	-0.0575	0.1762	0.374	0.3314	-14.3207	46.3718	-119.72
45	0.0042	0.0005	-0.004	0.0119	0.002	0.0162	-0.0187	-0.0143	0.0341	-0.0239	-0.0662	-0.0262	-0.0242	-0.0177	0	0.8293	-0.0467	0.056	0.7649	0.305	0.6375	0.565	44.1367	-139.0768
46	0.0861	0.0223	0.002	0.0339	0.0584	0.0034	-0.054	-0.4959	0.7777	0.0718	-0.4541	0.1905	0.1713	-0.252	0	0.0093	0.3394	-0.3017	-0.6529	1.1631	-0.6849	-7.0536	34.7459	-126.0731
47	0.1727	-0.2281	-0.1071	0.1621	-0.0416	0.0294	0.1739	0.0391	0.2269	-0.035	-0.0932	-0.0532	-0.0856	-0.0938	0	-0.1525	-0.1123	-0.0736	0.1138	0.0402	0.3242	-13.2043	33.8575	-96.905
48	0.0394	-0.008	0.0145	0.0255	-0.0022	0.0184	-0.0666	-0.1856	0.261	0.0053	-0.044	-0.1354	-0.2241	-0.0175	0	0.344	-0.0262	0.0075	0.3313	0.0781	0.5504	-5.0453	49.4616	-92.9599
49	0.0038	0.0004	0.0064	0.0102	-0.0016	0.0069	-0.0571	-0.0046	-0.0099	-0.0345	-0.0799	-0.0864	-0.0276	0.0139	-0	-0.1487	-0.1454	-0.0216	0.2733	0.0828	0.5308	21.3911	29.3372	-101.3675
50	0.0028	-0.0012	0.0002	-0.0003	-0.0009	-0.0002	-0.0066	0.0106	0.0185	-0.0187	-0.0528	-0.0349	0.0086	-0.005	0	0.127	0.0119	-0.0096	0.2564	0.044	0.2796	1.2533	24.4229	-100.4024
51	0.0012	0.001	0.0001	0.0015	0.0051	0.0033	-0.0559	-0.0438	0.0047	0.0237	-0.039	-0.0252	0.0154	0.0128	0	0.2034	0.0286	-0.0032	0.2894	0.0349	0.222	4.5585	16.4527	-110.9784
52	0.0049	-0.0045	-0.0111	-0.0066	0.0032	0.0139	0.0291	0.0792	0.1519	-0.0449	-0.08	-0.081	0.0574	-0.05	0	0.189	-0.0133	-0.0177	0.3118	0.0367	0.2813	6.8712	21.276	-110.5792
53	0.0037	0.0007	0.0014	-0.0016	-0.0003	-0.0008	0.0244	0.0511	0.0196	-0.0716	-0.0592	0.0723	-0.0205	0.0121	-0	0.4066	-0.0563	0.0599	0.4616	0.1527	0.4933	9.0363	34.6842	-120.4711
54	0.0027	0.002	0.002	0.0004	-0.0008	0.001	-0.0381	0.0779	-0.0209	-0.0544	-0.0642	-0.0036	0.0165	-0.0225	0	0.2869	0.0505	0.2713	0.4655	0.2073	0.541	17.9641	29.6347	-120.5813
55	-0.0084	-0.0067	-0.0217	-0.0171	-0.0025	-0.007	-0.0667	0.0837	0.1236	-0.1357	-0.0699	-0.1427	0.0256	0.0732	0	0.212	-0.0265	-0.012	0.4112	0.0134	0.3653	14.0994	22.1853	-97.7634
56	0.006	-0.0004	0.0027	0.0034	-0.0019	0.0065	-0.0071	-0.0124	0.0221	-0.0076	0.0268	0.0291	0.0325	-0.0186	0	0.1393	0.0215	-0.0841	0.2778	-0.0614	0.215	5.3166	18.4429	-85.2557
57	-0.0055	-0.0002	0.0094	-0.0036	-0.0044	-0.0054	0.0211	-0.0189	-0.0549	0.0795	-0.0516	-0.0821	0.0347	-0.0698	0	0.1441	0.0116	-0.0395	0.2391	0.0518	0.267	-10.1155	18.9495	-106.6425
58	0.0034	-0.0039	0.0067	0.0221	0.004	0.0063	-0.0959	0.0483	-0.1032	0.0303	-0.1541	0.1144	0.0709	-0.0279	0	0.5128	0.113	-0.1689	0.3287	0.0658	0.2374	-13.8142	23.6408	-126.3703
59	0.0233	0.0024	0.0208	-0.0164	0.0075	-0.023	0.1452	-0.0437	0.0205	-0.1604	-0.1607	-0.0408	-0.0162	-0.0303	0	0.1801	0.0363	0.0269	0.239	0.0761	0.2563	8.8627	23.6714	-107.8346
60	0.0031	-0.005	-0.013	0.0101	0.0084	0.0046	0.0061	0.088	0.0649	0.0008	-0.1244	-0.0687	-0.0774	-0.0521	-0	0.216	-0.042	0.0387	0.2662	0.0643	0.5631	14.4887	39.2219	-108.6153
61	0.0098	0.005	-0.0119	0.0194	-0.0189	0.0091	0.0555	0.0234	0.0997	-0.1048	-0.1211	-0.1567	-0.1167	-0.0775	-0	0.1624	-0.033	-0.0168	0.2583	0.0577	0.3922	9.1068	31.5495	-102.1535
62	0.0034	0.0062	0.0042	0.0014	-0.0004	0.0025	-0.0025	0.0065	0.0405	0.0159	-0.0263	-0.0034	0.0454	0.0406	0	0.163	-0.0767	-0.0729	0.5001	0.0735	0.4725	26.8448	23.7064	-97.0562
63	0.011	0.0029	-0.0001	0.0106	0.0006	0.0029	0.0669	0.0192	0.1389	0.0834	-0.0274	-0.0537	-0.0636	0.0593	0	0.2061	-0.0012	0.0047	0.3749	0.054	0.367	20.6277	19.7982	-98.6415
64	0.005	0.0005	-0.0027	0.0024	0.0007	0.0038	0.0186	-0.0292	0.0001	-0.0033	0.1239	-0.0817	0.0475	0.0326	-0	0.231	0.0258	0.0232	0.3127	0.0501	0.3654	22.3859	9.9566	-104.7459
65	0.0018	0.0025	-0.0014	0.0044	-0.0014	-0.0031	0.0532	0.001	0.0515	0.0472	-0.0053	-0.0835	-0.0478	0.0527	-0	0.2551	0.0546	0.0517	0.4354	0.0913	0.341	11.0259	19.8994	-121.137
66	0.0063	0.0039	0.0007	0.0128	0.0053	0.0036	0.0141	0.0946	-0.0237	0.1197	-0.0916	-0.1239	-0.0069	-0.0485	-0	0.2166	0.0151	-0.0037	0.3749	0.0311	0.3446	17.403	14.2138	-108.901
67	0.0099	0.0419	0.0113	0.0021	0.0271	0.0216	0.0378	0.0677	0.047	-0.0611	-0.0692	-0.1269	0.0335	-0.0273	-0	0.1566	0.0137	0.0015	0.2835	0.1021	0.2702	-6.478	25.4453	-112.9165
68	-0.0109	0.0322	-0.0021	-0.0279	-0.021	-0.0034	-0.0157	0.0301	0.1029	-0.0172	0.0168	0.0177	-0.0545	-0.0791	-0	0.1302	-0.0236	-0.0562	0.1734	-0.0012	0.1854	-34.4738	17.8407	-98.576
69	-0.2377	0.0767	0.2393	0.0845	0.0212	-0.063	0.1233	0.0183	-0.0344	0.0881	0.0397	0.0186	-0.2024	-0.2421	-0	0.2834	-0.0465	0.0204	0.2351	-0.0671	0.1903	-34.3743	16.1908	-45.0574
70	-0.0125	0.0015	0.0062	0.0026	0.0094	0.0208	-0.0157	-0.3405	-0.1142	0.0249	0.051	-0.031	-0.0072	0.0566	0	1.169	-0.5124	0.0295	-0.4318	-0.737	-0.02	-12.6625	56.0565	-17.7592
71	0.0051	-0.0017	0.0002	0.004	0.0036	0.0047	-0.0186	-0.0146	-0.0375	0.0247	-0.0156	0.0271	0.018	0.0162	0	1.3972	-0.289	0.1391	0.5222	-0.1327	1.457	-7.8808	73.3812	-23.5765
72	-0.005	0.0074	0.0038	0.0118	-0.0013	0.0296	-0.0138	-0.0501	-0.0568	-0.0082	0.1186	-0.0761	-0.1084	-0.071	-0	2.1514	-0.2562	0.5317	0.8018	-0.1205	0.9387	-11.4178	93.1067	-34.7325
73	0.0031	-0.0009	0.0013	0.003	0.0065	0.0032	0.0581	-0.0554	0.1123	-0.0336	0.0257	-0.2218	0.0345	0.0271	0	1.6647	-0.165	0.2472	0.6248	-0.1061	0.7686	-14.463	93.6297	-29.5232
74	0.0007	-0.0438	0.0797	-0.0139	0.0159	-0.0091	0.0476	0.247	-0.0519	0.09	0.0052	0.1434	0.3017	-0.1306	0	0.369	0.2133	-0.0435	0.764	0.0189	0.4873	-27.82	22.2429	-143.1736
75	0.0325	0.022	-0.0215	0.0697	0.0234	0.0033	-0.0666	0.3485	-0.0742	-0.0357	0.0165	0.1039	0.0237	0.0547	-0	0.8879	-0.0188	0.0408	0.6032	0.0108	0.5011	-14.4015	-9.2728	-101.3265
76	-0.1792	-0.0035	-0.0929	0.1696	-0.0258	0.0379	0.129	0.1002	0.0254	0.0916	0.027	0.0064	0.121	0.1292	0	0.1768	-0.0288	0.0369	0.2807	-0.0598	0.2188	-23.6994	15.5755	-61.7754
77	0.0042	-0.0114	-0.0051	-0.0058	0.0026	0.0065	-0.0385	0.0653	-0.011	-0.0717	-0.0833	0.0215	0.0233	0.0467	-0	0.6547	0.575	-0.3419	0.8035	0.2771	0.1262	-23.5459	10.568	-139.4585
78	0.0076	-0.0046	-0.0024	-0.0036	-0.0036	-0.0008	0.0041	-0.0559	-0.0659	0.0359	-0.0202	-0.038	0.0157	0.0124	-0	2.4373	0.1056	-0.0114	2.5357	0.4725	2.2835	-29.697	33.9567	-150.5386
79	0.0011	-0.0016	0.0118	0.0073	-0.0006	0.0274	-0.0882	0.0761	0.0146	-0.0217	0.102	0.1268	-0.0393	-0.098	-0	1.7899	-0.0047	0.0514	0.7213	-0.0729	0.4965	-31.8383	77.4739	-44.1724
80	0.0049	-0.0023	0.0026	0.0394	-0.0185	0.0049	-0.1017	0.0411	0.1941	0.0711	0.0303	0.0016	-0.0358	-0.0343	-0	1.1874	0.1219	-0.1985	0.7496	0.0232	0.4935	-42.057	81.1778	-38.1983
81	-0.0112	0.0096	-0.0359	-0.032	0.0514	-0.0364	-0.0783	0.0887	-0.1286	-0.1375	-0.3067	-0.5384	-0.0028	-0.0384	0	1.3016	-0.1808	0.1556	-1.8626	-1.8188	-1.5404	-21.3765	80.994	-24.7917
82	0.0116	-0.0247	0.0167	0.0509	-0.0067	0.0379	-0.1848	-0.3782	-0.1981	0.0068	0.1377	0.058	-0.0402	-0.0611	-0	2.0087	0.0198	0.033	0.0887	-0.6518	-0.5096	-28.8023	80.5877	-27.2864

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN 'A' AND (RESID 2 THROUGH 212 )
2	X-RAY DIFFRACTION	2	CHAIN 'A' AND (RESID 213 THROUGH 375 )
3	X-RAY DIFFRACTION	3	CHAIN 'A' AND (RESID 376 THROUGH 495 )
4	X-RAY DIFFRACTION	4	CHAIN 'B' AND (RESID 3 THROUGH 16 )
5	X-RAY DIFFRACTION	5	CHAIN 'B' AND (RESID 17 THROUGH 26 )
6	X-RAY DIFFRACTION	6	CHAIN 'B' AND (RESID 27 THROUGH 37 )
7	X-RAY DIFFRACTION	7	CHAIN 'B' AND (RESID 38 THROUGH 51 )
8	X-RAY DIFFRACTION	8	CHAIN 'B' AND (RESID 52 THROUGH 67 )
9	X-RAY DIFFRACTION	9	CHAIN 'B' AND (RESID 68 THROUGH 75 )
10	X-RAY DIFFRACTION	10	CHAIN 'B' AND (RESID 76 THROUGH 124 )
11	X-RAY DIFFRACTION	11	CHAIN 'B' AND (RESID 125 THROUGH 159 )
12	X-RAY DIFFRACTION	12	CHAIN 'C' AND (RESID 3 THROUGH 15 )
13	X-RAY DIFFRACTION	13	CHAIN 'C' AND (RESID 16 THROUGH 51 )
14	X-RAY DIFFRACTION	14	CHAIN 'C' AND (RESID 52 THROUGH 98 )
15	X-RAY DIFFRACTION	15	CHAIN 'C' AND (RESID 99 THROUGH 124 )
16	X-RAY DIFFRACTION	16	CHAIN 'C' AND (RESID 125 THROUGH 156 )
17	X-RAY DIFFRACTION	17	CHAIN 'D' AND (RESID 2 THROUGH 115 )
18	X-RAY DIFFRACTION	18	CHAIN 'D' AND (RESID 116 THROUGH 243 )
19	X-RAY DIFFRACTION	19	CHAIN 'D' AND (RESID 244 THROUGH 334 )
20	X-RAY DIFFRACTION	20	CHAIN 'D' AND (RESID 335 THROUGH 349 )
21	X-RAY DIFFRACTION	21	CHAIN 'D' AND (RESID 350 THROUGH 361 )
22	X-RAY DIFFRACTION	22	CHAIN 'E' AND (RESID 2 THROUGH 57 )
23	X-RAY DIFFRACTION	23	CHAIN 'E' AND (RESID 58 THROUGH 175 )
24	X-RAY DIFFRACTION	24	CHAIN 'E' AND (RESID 176 THROUGH 212 )
25	X-RAY DIFFRACTION	25	CHAIN 'E' AND (RESID 213 THROUGH 361 )
26	X-RAY DIFFRACTION	26	CHAIN 'F' AND (RESID 2 THROUGH 115 )
27	X-RAY DIFFRACTION	27	CHAIN 'F' AND (RESID 116 THROUGH 145 )
28	X-RAY DIFFRACTION	28	CHAIN 'F' AND (RESID 146 THROUGH 362 )
29	X-RAY DIFFRACTION	29	CHAIN 'G' AND (RESID 2 THROUGH 84 )
30	X-RAY DIFFRACTION	30	CHAIN 'G' AND (RESID 85 THROUGH 115 )
31	X-RAY DIFFRACTION	31	CHAIN 'G' AND (RESID 116 THROUGH 260 )
32	X-RAY DIFFRACTION	32	CHAIN 'G' AND (RESID 261 THROUGH 362 )
33	X-RAY DIFFRACTION	33	CHAIN 'H' AND (RESID 2 THROUGH 57 )
34	X-RAY DIFFRACTION	34	CHAIN 'H' AND (RESID 58 THROUGH 115 )
35	X-RAY DIFFRACTION	35	CHAIN 'H' AND (RESID 116 THROUGH 175 )
36	X-RAY DIFFRACTION	36	CHAIN 'H' AND (RESID 176 THROUGH 195 )
37	X-RAY DIFFRACTION	37	CHAIN 'H' AND (RESID 196 THROUGH 221 )
38	X-RAY DIFFRACTION	38	CHAIN 'H' AND (RESID 222 THROUGH 284 )
39	X-RAY DIFFRACTION	39	CHAIN 'H' AND (RESID 285 THROUGH 304 )
40	X-RAY DIFFRACTION	40	CHAIN 'H' AND (RESID 305 THROUGH 323 )
41	X-RAY DIFFRACTION	41	CHAIN 'H' AND (RESID 324 THROUGH 361 )
42	X-RAY DIFFRACTION	42	CHAIN 'I' AND (RESID 2 THROUGH 31 )
43	X-RAY DIFFRACTION	43	CHAIN 'I' AND (RESID 32 THROUGH 49 )
44	X-RAY DIFFRACTION	44	CHAIN 'I' AND (RESID 50 THROUGH 71 )
45	X-RAY DIFFRACTION	45	CHAIN 'I' AND (RESID 72 THROUGH 97 )
46	X-RAY DIFFRACTION	46	CHAIN 'I' AND (RESID 107 THROUGH 195 )
47	X-RAY DIFFRACTION	47	CHAIN 'I' AND (RESID 196 THROUGH 319 )
48	X-RAY DIFFRACTION	48	CHAIN 'I' AND (RESID 320 THROUGH 361 )
49	X-RAY DIFFRACTION	49	CHAIN 'J' AND (RESID 1 THROUGH 10 )
50	X-RAY DIFFRACTION	50	CHAIN 'J' AND (RESID 11 THROUGH 15 )
51	X-RAY DIFFRACTION	51	CHAIN 'J' AND (RESID 16 THROUGH 20 )
52	X-RAY DIFFRACTION	52	CHAIN 'J' AND (RESID 21 THROUGH 43 )
53	X-RAY DIFFRACTION	53	CHAIN 'J' AND (RESID 44 THROUGH 50 )
54	X-RAY DIFFRACTION	54	CHAIN 'J' AND (RESID 51 THROUGH 60 )
55	X-RAY DIFFRACTION	55	CHAIN 'J' AND (RESID 61 THROUGH 72 )
56	X-RAY DIFFRACTION	56	CHAIN 'J' AND (RESID 73 THROUGH 79 )
57	X-RAY DIFFRACTION	57	CHAIN 'J' AND (RESID 80 THROUGH 89 )
58	X-RAY DIFFRACTION	58	CHAIN 'J' AND (RESID 90 THROUGH 102 )
59	X-RAY DIFFRACTION	59	CHAIN 'J' AND (RESID 103 THROUGH 129 )
60	X-RAY DIFFRACTION	60	CHAIN 'J' AND (RESID 130 THROUGH 143 )
61	X-RAY DIFFRACTION	61	CHAIN 'J' AND (RESID 144 THROUGH 163 )
62	X-RAY DIFFRACTION	62	CHAIN 'J' AND (RESID 164 THROUGH 173 )
63	X-RAY DIFFRACTION	63	CHAIN 'J' AND (RESID 174 THROUGH 187 )
64	X-RAY DIFFRACTION	64	CHAIN 'J' AND (RESID 188 THROUGH 196 )
65	X-RAY DIFFRACTION	65	CHAIN 'J' AND (RESID 197 THROUGH 206 )
66	X-RAY DIFFRACTION	66	CHAIN 'J' AND (RESID 207 THROUGH 219 )
67	X-RAY DIFFRACTION	67	CHAIN 'L' AND (RESID 1 THROUGH 10 )
68	X-RAY DIFFRACTION	68	CHAIN 'L' AND (RESID 11 THROUGH 15 )
69	X-RAY DIFFRACTION	69	CHAIN 'L' AND (RESID 16 THROUGH 35 )
70	X-RAY DIFFRACTION	70	CHAIN 'L' AND (RESID 36 THROUGH 40 )
71	X-RAY DIFFRACTION	71	CHAIN 'L' AND (RESID 41 THROUGH 43 )
72	X-RAY DIFFRACTION	72	CHAIN 'L' AND (RESID 44 THROUGH 53 )
73	X-RAY DIFFRACTION	73	CHAIN 'L' AND (RESID 54 THROUGH 60 )
74	X-RAY DIFFRACTION	74	CHAIN 'M' AND (RESID 1 THROUGH 18 )
75	X-RAY DIFFRACTION	75	CHAIN 'M' AND (RESID 19 THROUGH 28 )
76	X-RAY DIFFRACTION	76	CHAIN 'N' AND (RESID 1 THROUGH 34 )
77	X-RAY DIFFRACTION	77	CHAIN 'N' AND (RESID 35 THROUGH 40 )
78	X-RAY DIFFRACTION	78	CHAIN 'N' AND (RESID 41 THROUGH 50 )
79	X-RAY DIFFRACTION	79	CHAIN 'K' AND (RESID 1 THROUGH 56 )
80	X-RAY DIFFRACTION	80	CHAIN 'K' AND (RESID 57 THROUGH 82 )
81	X-RAY DIFFRACTION	81	CHAIN 'K' AND (RESID 83 THROUGH 130 )
82	X-RAY DIFFRACTION	82	CHAIN 'K' AND (RESID 131 THROUGH 199 )

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