PDB-4p2r: Crystal structure of the 5cc7 TCR in complex with 5c1/I-Ek

ID or keywords:

Entry

Database: PDB / ID: 4p2r

Title

Crystal structure of the 5cc7 TCR in complex with 5c1/I-Ek

Components

(5cc7 T-cell receptor ...) x 2
5c1 peptide
H-2 class II histocompatibility antigen, E-K alpha chain
MHC class II E-beta-k

Keywords

IMMUNE SYSTEM / T cell receptor / peptide-MHC complex

Function / homology

Function and homology information

peptide antigen assembly with MHC class II protein complex / MHC class II protein complex / peptide antigen binding / antigen processing and presentation of exogenous peptide antigen via MHC class II / positive regulation of immune response / positive regulation of T cell activation / MHC class II protein complex binding / late endosome membrane / adaptive immune response / lysosomal membrane
Similarity search - Function

Biological species

Mus musculus (house mouse)
synthetic construct (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON / Resolution: 3.295 Å

Authors

Birnbaum, M.E. / Ozkan, E. / Garcia, K.C.

Citation

Journal: Cell / Year: 2014
Title: Deconstructing the Peptide-MHC Specificity of T Cell Recognition.
Authors: Birnbaum, M.E. / Mendoza, J.L. / Sethi, D.K. / Dong, S. / Glanville, J. / Dobbins, J. / Ozkan, E. / Davis, M.M. / Wucherpfennig, K.W. / Garcia, K.C.

History

Deposition	Mar 4, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 21, 2014	Provider: repository / Type: Initial release
Revision 1.1	Jun 11, 2014	Group: Database references
Revision 1.2	Jan 14, 2015	Group: Database references
Revision 1.3	Feb 25, 2015	Group: Derived calculations
Revision 1.4	Sep 27, 2017	Group: Author supporting evidence / Derived calculations ...Author supporting evidence / Derived calculations / Other / Source and taxonomy / Structure summary Category: entity / entity_src_gen ...entity / entity_src_gen / pdbx_audit_support / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_oper_list Item: _entity.pdbx_description / _entity_src_gen.pdbx_alt_source_flag ..._entity.pdbx_description / _entity_src_gen.pdbx_alt_source_flag / _pdbx_database_status.pdb_format_compatible / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_oper_list.symmetry_operation
Revision 1.5	Nov 1, 2017	Group: Author supporting evidence / Category: pdbx_struct_assembly_auth_evidence
Revision 1.6	Jul 29, 2020	Group: Data collection / Derived calculations ...Data collection / Derived calculations / Refinement description / Structure summary Category: chem_comp / entity ...chem_comp / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / refine_hist / struct_conn / struct_site / struct_site_gen Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _struct_conn.pdbx_role Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.7	Dec 27, 2023	Group: Data collection / Database references / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.8	Nov 20, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	4p2r.cif.gz	1.3 MB	Display	PDBx/mmCIF format
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Validation report

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Full document	4p2r_full_validation.pdf.gz	642 KB	Display
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Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/p2/4p2r ftp://data.pdbj.org/pub/pdb/validation_reports/p2/4p2r	HTTPS FTP

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Related structure data

Related structure data	4p2oC 4p2qC C: citing same article (ref.)
Similar structure data	6v13-d 4p2q-4 6xqp-2 3vxu-1 5u16-1 4pjh-2 6pul-1 5u72-1 5u2v-1 5d7j-1 6amu-d 4eup-1 2ian-1 6pui-2 4pja-2 4p2q-3 7byd-1 4pj8-d 4prh-d 4pjb-2 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

4p2oC

4p2qC

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#209 - May 2017 Tissue Transglutaminase and Celiac Disease similarity (7) #247 - Jul 2020 Myelin-associated Glycoprotein similarity (7) #63 - Mar 2005 T-Cell Receptor similarity (7) #62 - Feb 2005 Major Histocompatibility Complex similarity (7)

Deposited unit

A: H-2 class II histocompatibility antigen, E-K alpha chain

B: MHC class II E-beta-k

C: 5c1 peptide

D: 5cc7 T-cell receptor alpha chain

E: 5cc7 T-cell receptor beta chain

F: H-2 class II histocompatibility antigen, E-K alpha chain

G: MHC class II E-beta-k

H: 5c1 peptide

I: 5cc7 T-cell receptor alpha chain

J: 5cc7 T-cell receptor beta chain

K: H-2 class II histocompatibility antigen, E-K alpha chain

L: MHC class II E-beta-k

M: 5c1 peptide

N: 5cc7 T-cell receptor alpha chain

O: 5cc7 T-cell receptor beta chain

P: H-2 class II histocompatibility antigen, E-K alpha chain

Q: MHC class II E-beta-k

R: 5c1 peptide

S: 5cc7 T-cell receptor alpha chain

T: 5cc7 T-cell receptor beta chain

hetero molecules

408 kDa, 20 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: H-2 class II histocompatibility antigen, E-K alpha chain

B: MHC class II E-beta-k

C: 5c1 peptide

D: 5cc7 T-cell receptor alpha chain

E: 5cc7 T-cell receptor beta chain

hetero molecules

defined by author
Evidence: surface plasmon resonance
102 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

F: H-2 class II histocompatibility antigen, E-K alpha chain

G: MHC class II E-beta-k

H: 5c1 peptide

I: 5cc7 T-cell receptor alpha chain

J: 5cc7 T-cell receptor beta chain

hetero molecules

defined by author
Evidence: surface plasmon resonance
102 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

K: H-2 class II histocompatibility antigen, E-K alpha chain

L: MHC class II E-beta-k

M: 5c1 peptide

N: 5cc7 T-cell receptor alpha chain

O: 5cc7 T-cell receptor beta chain

hetero molecules

defined by author
Evidence: surface plasmon resonance
102 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

P: H-2 class II histocompatibility antigen, E-K alpha chain

Q: MHC class II E-beta-k

R: 5c1 peptide

S: 5cc7 T-cell receptor alpha chain

T: 5cc7 T-cell receptor beta chain

defined by author
Evidence: surface plasmon resonance
102 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	261.601, 101.867, 214.642
Angle α, β, γ (deg.)	90.00, 94.89, 90.00
Int Tables number	5
Space group name H-M	C121

Details

THE BIOLOGICAL ASSEMBLY WAS DETERINED BY SURFACE PLASMA RESONANCE

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Protein , 2 types, 8 molecules AFKPBGLQ

#1: Protein	H-2 class II histocompatibility antigen, E-K alpha chain Mass: 23618.467 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P04224
#2: Protein	MHC class II E-beta-k Mass: 24433.174 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Gene: H2-Eb1 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q31163

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5cc7 T-cell receptor ... , 2 types, 8 molecules DINSEJOT

#4: Protein	5cc7 T-cell receptor alpha chain Mass: 22765.146 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21
#5: Protein	5cc7 T-cell receptor beta chain Mass: 29610.090 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3)

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Protein/peptide / Sugars , 2 types, 9 molecules CHMR

#3: Protein/peptide

5c1 peptide

Mass: 1383.612 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) synthetic construct (others) / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3)

#6: Sugar

ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE

Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₈H₁₅NO₆

Identifier	Type	Program
DGlcpNAcb	CONDENSED IUPAC CARBOHYDRATE SYMBOL	GMML 1.0
N-acetyl-b-D-glucopyranosamine	COMMON NAME	GMML 1.0
b-D-GlcpNAc	IUPAC CARBOHYDRATE SYMBOL	PDB-CARE 1.0
GlcNAc	SNFG CARBOHYDRATE SYMBOL	GMML 1.0

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Details

Has protein modification	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 3.47 Å³/Da / Density % sol: 64.59 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, sitting drop Details: 0.2M Potassium citrate, 18% PEG 3350, 4% 1,3 butanediol

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SSRL / Beamline: BL11-1 / Wavelength: 0.97945 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 19, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97945 Å / Relative weight: 1
Reflection	Resolution: 3.29→39.81 Å / Num. obs: 84239 / % possible obs: 98.8 % / Redundancy: 6.8 % / R_sym value: 0.143 / Net I/σ(I): 10.9
Reflection shell	Resolution: 3.29→3.36 Å / Redundancy: 5.8 % / R_merge(I) obs: 1.356 / Mean I/σ(I) obs: 1.3 / % possible all: 84.9

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Processing

Software

Name: PHENIX / Version: (phenix.refine: 1.8.4_1496) / Classification: refinement

Refinement

Resolution: 3.295→39.454 Å / SU ML: 0.38 / σ(F): 1.33 / Phase error: 25.05 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2431	4213	5 %
R_work	0.2117	-	-
obs	0.2133	84239	98.67 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 3.295→39.454 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	25581	0	70	0	25651

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.007	26332
X-RAY DIFFRACTION	f_angle_d	0.816	35764
X-RAY DIFFRACTION	f_dihedral_angle_d	12.899	9414
X-RAY DIFFRACTION	f_chiral_restr	0.038	3889
X-RAY DIFFRACTION	f_plane_restr	0.004	4715

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 (%)
3.295-3.3323	0.4125	105	0.3562	1967	X-RAY DIFFRACTION	74
3.3323-3.3715	0.3917	139	0.3186	2686	X-RAY DIFFRACTION	100
3.3715-3.4126	0.3085	133	0.3088	2719	X-RAY DIFFRACTION	100
3.4126-3.4557	0.3148	128	0.3111	2646	X-RAY DIFFRACTION	99
3.4557-3.5012	0.2949	157	0.2882	2683	X-RAY DIFFRACTION	99
3.5012-3.5491	0.2901	131	0.2773	2645	X-RAY DIFFRACTION	99
3.5491-3.5998	0.3033	143	0.2721	2673	X-RAY DIFFRACTION	98
3.5998-3.6535	0.3087	110	0.2638	2716	X-RAY DIFFRACTION	100
3.6535-3.7105	0.2875	117	0.2669	2692	X-RAY DIFFRACTION	100
3.7105-3.7713	0.2965	140	0.2594	2725	X-RAY DIFFRACTION	100
3.7713-3.8363	0.2875	145	0.2571	2665	X-RAY DIFFRACTION	100
3.8363-3.906	0.2871	152	0.2451	2694	X-RAY DIFFRACTION	100
3.906-3.981	0.2701	149	0.2344	2643	X-RAY DIFFRACTION	100
3.981-4.0622	0.2435	139	0.2266	2676	X-RAY DIFFRACTION	100
4.0622-4.1504	0.2623	152	0.2291	2689	X-RAY DIFFRACTION	100
4.1504-4.2469	0.2514	149	0.2122	2727	X-RAY DIFFRACTION	100
4.2469-4.353	0.2321	133	0.1964	2656	X-RAY DIFFRACTION	99
4.353-4.4705	0.2015	166	0.182	2655	X-RAY DIFFRACTION	99
4.4705-4.6019	0.1734	109	0.1712	2700	X-RAY DIFFRACTION	100
4.6019-4.7502	0.2075	157	0.1706	2696	X-RAY DIFFRACTION	100
4.7502-4.9196	0.2095	144	0.1728	2689	X-RAY DIFFRACTION	100
4.9196-5.1162	0.1807	118	0.1771	2743	X-RAY DIFFRACTION	100
5.1162-5.3485	0.2188	163	0.1845	2666	X-RAY DIFFRACTION	100
5.3485-5.6298	0.2395	155	0.1929	2705	X-RAY DIFFRACTION	99
5.6298-5.9813	0.257	152	0.2158	2652	X-RAY DIFFRACTION	99
5.9813-6.4413	0.2411	141	0.2173	2715	X-RAY DIFFRACTION	100
6.4413-7.0862	0.2435	149	0.2021	2711	X-RAY DIFFRACTION	100
7.0862-8.1038	0.2155	154	0.1841	2716	X-RAY DIFFRACTION	99
8.1038-10.1809	0.226	139	0.1693	2723	X-RAY DIFFRACTION	98
10.1809-39.4571	0.2377	144	0.2103	2753	X-RAY DIFFRACTION	97

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	5.296	5.2334	0.5008	6.9043	-0.9504	2.906	-0.0699	-0.3326	-0.9252	-0.2507	-0.1706	0.1916	0.1195	0.3251	0.2883	0.8236	0.1943	0.0491	0.6571	0.0275	0.8283	-51.4083	-15.2554	42.4402
2	7.7502	3.973	0.735	6.0518	-0.0575	2.9443	-0.2482	0.9573	-0.5796	-0.9315	0.2513	-0.4309	-0.1313	0.0131	0.0289	0.7358	0.1579	0.0965	0.7356	-0.0258	0.7698	-49.7862	-14.5024	34.7565
3	4.7884	-1.8302	0.4587	4.4598	0.8289	1.5683	-0.2357	-0.2555	-0.7908	-0.0806	0.2394	-0.1703	0.2117	0.3245	-0.08	0.7416	0.159	0.1742	0.7302	0.0978	1.1183	-40.2153	-27.4466	47.1366
4	6.2958	2.6174	0.8617	4.9286	1.9001	4.7048	0.0528	-0.583	-1.5337	0.9991	-0.0416	-1.6116	0.7259	0.263	-0.1233	0.8715	0.3059	0.1134	0.9214	0.1369	1.4502	-33.2305	-34.536	50.8628
5	2.5413	5.9827	0.4773	7.9043	0.8355	2.8299	0.588	-0.5772	0.0192	0.5433	-0.3225	0.4329	-0.1445	0.1934	-0.2838	0.8199	0.1008	-0.0272	0.5707	0.0899	0.7484	-53.2074	-9.5041	47.7278
6	6.5311	-6.0539	1.4072	8.3666	-0.9941	3.3769	-0.2951	-0.4749	0.8563	0.7526	-0.0002	-0.2983	-0.6943	0.0979	0.2313	0.9404	0.0282	0.0329	0.6848	-0.0209	0.7023	-52.8833	2.2107	49.8532
7	3.4247	0.5692	-0.6337	4.2636	0.1874	1.7566	-0.0362	-0.1774	-0.8592	-0.1718	0.1124	1.2091	0.3196	-0.1946	-0.1124	0.7635	0.0613	0.0344	0.6174	0.0708	1.1004	-62.291	-22.7779	44.8404
8	5.8232	1.5599	3.5564	6.6785	-1.2113	7.4442	0.7204	-1.6578	-0.2499	1.3304	-0.3834	1.0549	0.9659	-0.7982	-0.415	1.3146	-0.0676	0.2695	1.0836	0.2115	1.4113	-59.7055	-39.9516	58.3385
9	3.6011	4.5053	-0.4249	6.9843	-1.1887	4.2385	-0.1005	0.6109	0.3896	-0.6896	-0.0962	0.2324	0.0337	-0.182	0.0761	0.7208	0.0945	0.1094	0.7106	0.0284	0.8525	-55.7237	-6.4175	35.2222
10	7.0367	-2.6274	2.7281	6.2137	-4.3277	4.6867	0.0959	0.4415	0.2329	-0.1174	0.0555	0.0834	-0.26	-0.2999	-0.168	0.9256	0.1815	0.0625	0.9196	0.0093	0.7622	-75.8524	7.4065	24.1951
11	4.9099	1.807	-1.2898	3.4943	-0.5765	5.3507	-0.1099	1.4159	0.1859	-0.5507	0.0444	0.5654	-0.2573	-0.9173	0.097	1.4551	0.4326	0.0301	1.8692	0.3087	1.6483	-85.4197	28.7174	0.5337
12	4.4294	-0.3339	0.8428	3.9546	-4.2548	7.708	0.1713	0.9247	-0.1082	-0.3369	-0.1983	-0.4311	-0.0658	0.4849	-0.0144	1.0275	0.2325	0.1814	1.068	0.0393	0.9034	-53.3584	10.6544	15.0259
13	6.8847	-0.7993	-2.4365	4.3201	0.0479	4.5221	0.4227	0.7611	0.8002	-0.0699	-0.0327	0.5249	-0.5405	0.0329	-0.4213	1.3992	0.3146	0.1799	1.5813	0.5284	1.0448	-69.6024	32.9915	4.3651
14	9.1363	-5.6174	0.8258	7.3064	-2.0454	2.462	-0.0326	-1.0612	0.4382	0.7406	0.1479	-0.3711	-0.3328	0.2846	-0.1518	1.1604	-0.0343	0.099	0.92	-0.0459	0.7976	-49.8426	-0.6707	78.7177
15	3.153	3.5752	-1.4189	3.9065	-1.923	2.0224	0.3114	-0.6521	0.6108	0.3034	-0.0056	-0.969	-0.6622	0.7165	-0.2248	1.1951	-0.2419	-0.1329	1.2337	-0.1458	1.1231	-37.1457	12.827	70.4292
16	4.5281	0.2633	0.1245	4.1742	-0.0195	4.3653	0.4117	-0.8746	0.9584	0.1879	0.1857	-1.1661	-0.9977	0.8278	-0.4875	1.474	-0.3076	0.1781	1.2712	-0.2625	1.4617	-35.6107	16.2632	75.1205
17	3.9115	-5.2127	4.0127	7.9634	-2.5695	7.4872	0.5703	0.0312	-0.1849	0.7483	-0.2862	0.0123	-0.4527	1.0108	-0.2257	0.891	-0.0323	0.0573	0.9412	0.0139	0.795	-44.1648	-4.2139	70.271
18	8.6758	-3.2723	3.317	3.9012	-0.4275	4.8463	0.6838	1.0839	0.4083	-0.152	-0.6934	0.328	0.0028	0.4517	-0.1834	0.8559	-0.012	0.0946	0.7132	0.044	0.731	-55.4368	-5.4622	64.5713
19	5.2349	3.6608	-0.4836	5.1441	3.5743	4.9385	-0.1281	0.1009	-0.9565	0.1029	0.2623	-0.5563	0.0655	0.5936	-0.1035	0.8523	0.1466	0.0575	0.7322	-0.0059	0.8264	-47.2272	-16.0865	64.6079
20	9.7533	0.308	0.5016	4.2101	-0.4396	7.6957	-0.2685	-0.0799	-0.836	0.6308	0.8906	1.2198	0.001	-0.8577	-0.6465	0.8575	0.071	0.0048	0.7718	0.1233	0.8684	-61.033	-16.0573	69.923
21	3.2425	0.6964	-1.0897	3.8915	-2.393	1.1062	0.2397	0.1734	1.2133	-0.0025	0.3282	0.7194	-0.8391	-0.2668	-0.5002	1.5382	0.0727	0.2398	0.7853	-0.0715	1.2797	-58.6146	18.0529	65.6641
22	5.1047	-0.5163	-0.6392	7.1247	-0.9271	2.3671	0.8621	0.8171	1.4321	-1.7708	-0.6398	-0.0855	-0.8646	0.1833	-0.1585	1.9394	0.1594	0.423	0.946	0.0497	1.5188	-53.9127	26.6042	58.4309
23	5.7861	3.8825	1.3717	4.0093	-1.126	3.0398	-0.7016	-0.9523	-1.0167	1.8583	0.7413	0.3818	-0.5125	-0.4039	-0.2772	1.1168	0.2655	0.0587	0.8969	0.0072	0.6423	-55.1009	-9.3765	78.3748
24	8.4494	3.9455	-1.5742	5.3064	-2.5926	3.7727	0.2876	-0.3234	-0.7177	0.0825	-0.0187	0.1376	0.1878	-0.2189	-0.2624	1.0177	0.1507	0.0468	0.8953	0.1893	0.9604	-76.6572	-24.9963	81.1332
25	2.913	-2.246	0.0359	2.4692	0.647	4.425	-0.2272	-0.5438	-0.585	0.0847	0.3851	0.8508	0.2398	-1.2061	-0.1699	1.718	-0.257	-0.1031	1.6416	0.446	1.9258	-92.2392	-48.4348	98.9922
26	5.0011	0.7941	-2.3557	2.751	-1.2967	5.8002	-0.0777	-0.3616	-0.734	-0.059	0.6571	0.0817	0.8488	-0.2551	-0.5445	1.4001	0.1594	0.0441	1.083	0.2844	1.2101	-56.9757	-34.5689	95.6457
27	1.1518	1.7667	-2.203	5.6287	-3.3117	4.8333	0.3489	-0.5456	0.2106	0.9056	-0.1284	0.0556	-0.2637	0.6833	-0.2194	1.2447	0.0293	-0.0135	1.1744	0.2111	1.0825	-58.2279	-26.7421	96.8557
28	6.6282	1.6198	3.6992	3.5435	0.9522	6.1241	0.4618	-0.1496	-0.6191	-0.0912	0.0902	0.4113	0.9277	-0.0033	-0.5896	1.7155	-0.0602	-0.0248	1.257	0.353	1.2197	-75.8695	-52.246	100.1109
29	3.6476	0.2851	4.2622	4.6683	-0.4561	7.875	0.89	-0.0615	-1.1647	-0.0087	0.0487	-0.0173	0.5883	-0.1878	-0.7389	0.7209	0.2397	0.1191	1.1688	0.161	0.9872	-122.1034	5.6773	43.6962
30	5.5005	1.9549	5.2612	4.8076	4.328	9.4021	0.9218	-0.6225	-1.2971	-0.9631	0.617	0.7203	-0.9729	-1.4971	-1.3195	1.0727	0.4064	-0.0101	1.1412	0.1207	1.2848	-131.4234	9.5264	36.1774
31	1.8833	2.7837	0.7328	4.0822	2.1078	6.5347	-0.2497	-0.3471	0.8725	-0.4607	-0.0302	0.5504	-0.0322	-0.9357	0.3573	0.793	0.3344	-0.0177	1.1605	0.0693	1.3135	-125.4177	17.289	38.9588
32	9.6913	1.791	1.3924	4.7668	4.3975	4.5474	0.3697	0.0244	0.9636	-0.8026	0.2134	-1.1321	-1.6259	0.7509	-0.2717	0.9817	0.0623	-0.0927	0.9187	0.2177	1.3242	-116.7201	20.6975	40.0033
33	7.4239	6.0016	2.1098	7.9261	3.64	4.0855	-0.3443	0.7473	-0.2094	-1.5367	-0.1354	1.5361	0.2755	0.1502	0.2926	1.0017	0.3348	-0.106	1.4723	-0.1205	1.2462	-131.0311	2.4569	26.5039
34	5.5005	-0.4121	-0.7754	5.3879	2.1063	4.2395	0.1282	-0.6435	-0.2774	0.2734	-0.1036	-0.5187	0.3172	-0.4305	-0.1465	0.7962	0.3735	0.13	1.2217	0.2601	1.3493	-139.2781	12.3059	51.4362
35	2.6406	-2.7293	-3.3906	3.8626	5.6644	9.1421	-0.1143	-0.8617	0.1882	-1.246	0.9459	-0.0401	-0.8733	0.8797	-0.836	0.6651	0.2904	-0.0613	1.2217	-0.1613	1.1127	-144.5908	15.5971	45.6822
36	8.1948	-4.3662	0.3752	9.1399	-0.9481	2.1335	0.9039	0.0966	0.7248	-0.7744	-0.7221	0.2491	-0.1827	1.0624	-0.1458	0.9889	0.0819	-0.0393	1.2777	0.1021	1.2559	-145.2545	26.1733	47.4944
37	5.18	1.7805	1.583	7.6564	0.062	4.0279	-0.4599	-1.5662	0.0953	0.0984	0.5954	-0.3224	-0.4154	0.3297	-0.1069	0.7647	0.2592	-0.0357	1.2212	0.0538	1.1274	-137.5341	16.0956	50.7196
38	3.3813	1.465	2.8459	5.6084	2.1013	2.7862	0.2599	-1.1705	-0.0346	1.1963	-0.7855	0.7048	0.9251	-0.5415	0.3481	0.9554	0.3693	0.1676	1.4022	0.2069	1.4947	-148.298	14.2799	52.339
39	9.0386	4.3262	6.215	4.9568	2.6873	4.7373	0.0207	-0.7081	0.213	-0.1299	0.2614	0.6782	0.1719	-0.3555	-0.2769	0.792	0.2435	0.0777	1.3233	-0.0252	1.239	-130.4022	0.8633	39.1108
40	2.1768	1.8562	1.01	3.2822	1.1594	2.477	0.7678	0.2525	-0.7556	0.1781	-0.3334	0.1516	0.6008	-0.0818	-0.4961	0.9408	0.2775	-0.1169	1.0268	-0.0581	1.2554	-122.1868	-6.2206	40.1195
41	6.1034	-1.2404	-4.3991	5.376	-1.5763	5.776	-0.8976	1.6427	-1.7075	-1.9647	-0.2413	0.265	1.1075	-0.9157	0.8511	0.9076	0.3306	-0.19	1.6132	-0.4845	1.6461	-125.4082	-12.4801	28.7072
42	2.9627	0.2299	-0.0151	5.5335	2.6393	4.3345	-0.0884	-0.0771	0.8231	-0.9433	-0.1214	-0.3136	-0.3461	1.328	0.1736	0.7636	0.276	-0.0325	1.3289	-0.3589	1.4135	-111.9667	-4.256	31.7141
43	1.6604	-2.6345	-1.9679	7.8426	3.4297	4.8756	-0.1372	0.6975	0.8519	0.4375	1.1542	-0.4014	-0.4668	1.5815	-0.8326	0.7088	0.2351	-0.0346	1.1824	-0.0153	1.069	-110.3985	9.4213	42.8513
44	5.1061	0.1372	-1.3493	4.3391	0.7015	2.7453	0.6097	-1.9793	0.7191	1.0631	-0.0698	-0.514	-0.5041	-0.8934	-0.5233	1.1588	0.2847	0.0247	2.0984	-0.2142	0.9637	-123.7456	19.3576	64.0398
45	3.9983	5.1004	2.8569	6.8655	3.5629	2.0004	-0.4069	-1.8594	-1.8957	3.8046	-1.9064	-1.3796	0.3226	-1.8259	1.2894	1.5671	0.3318	-0.087	2.5203	0.3552	1.286	-121.3647	12.2744	68.9764
46	9.0502	0.6235	0.8738	3.4058	1.8121	4.0944	-0.3601	-1.385	-1.8564	-1.7984	1.2877	0.1479	-2.3173	0.9161	-0.4938	2.9646	-0.3373	-0.2178	2.4718	0.0771	1.0531	-127.3143	8.6817	79.6725
47	7.9048	2.3397	-0.2439	7.676	3.925	8.8048	1.0975	-1.7562	0.0985	1.6123	-0.3865	0.9499	0.8263	0.3796	-0.5976	1.2155	0.1544	0.1368	1.8903	0.0387	1.1711	-127.2448	14.5575	66.4691
48	4.6912	-1.5757	-4.6499	7.6081	1.2093	4.5758	1.6379	-2.3817	-0.1107	0.5413	-0.8414	0.3717	-0.1831	2.221	-0.5254	1.2745	-0.0489	0.0135	2.7749	-0.2242	1.2705	-118.8568	20.4054	73.2972
49	2.3705	4.7631	5.538	4.1059	4.084	7.6254	-0.6569	-0.1074	-0.2565	-1.1071	0.0063	0.3958	-0.8731	-0.4344	0.639	0.9345	0.4065	-0.0255	1.27	-0.1431	1.2711	-119.4567	5.244	30.6585
50	6.047	-0.222	-5.0569	2.2523	1.0324	5.6717	-0.0472	0.6204	-0.6109	-0.2975	-0.1133	0.2284	-0.0991	-0.287	0.1857	0.9166	0.2703	-0.0967	1.3363	-0.0647	0.9371	-96.0222	0.8769	18.5043
51	6.0248	0.1774	2.5015	7.526	-4.4479	4.5948	-0.7538	1.1317	0.4612	-0.5628	0.0714	-1.0657	-0.4586	-0.9081	0.7464	1.4583	0.139	0.0509	1.9606	-0.3317	1.3674	-78.9672	0.988	-9.9545
52	3.3633	1.6292	-3.7599	2.786	-2.5451	7.3142	-0.1294	1.2291	0.2126	-0.6188	0.3296	0.5089	-0.1557	-0.8896	-0.1778	1.2307	0.3897	-0.3003	2.1615	-0.0982	1.2434	-115.2055	7.3903	4.6162
53	4.677	-1.8696	-0.6504	5.1474	-0.6304	1.313	0.0448	1.5992	-0.4053	-0.6731	-0.1221	0.5376	-0.2094	-0.9794	0.0267	1.5037	0.1283	-0.1724	2.7037	-0.4127	1.1254	-94.8177	-2.8515	-14.1913
54	8.7861	5.3962	-4.4668	4.8351	-5.3176	7.3425	0.0438	1.217	-1.8739	-0.2118	-0.1192	-0.1652	-0.1807	-0.8406	0.0183	1.0582	0.0824	-0.3047	0.9531	-0.1518	1.6776	-116.157	-23.7751	48.855
55	2.0388	-1.1522	-6.8548	4.2171	1.527	4.9173	-0.5256	1.736	1.4766	0.8959	1.2853	-0.0324	1.594	-1.2087	-1.1274	1.2027	0.0482	-0.3927	1.4175	0.1026	2.0012	-125.5244	-28.8173	51.9904
56	2.5459	-0.3846	-2.4636	5.3334	1.4976	8.6575	-0.0895	-0.067	-1.0733	1.0758	-0.1804	0.0981	0.6665	0.4813	0.4036	1.5243	0.1216	-0.3793	1.0052	-0.0475	2.1528	-115.4888	-36.88	50.9369
57	8.9541	-6.2654	-0.5829	9.3532	1.1049	7.2296	-0.0694	-0.8301	-0.4385	1.359	-0.2555	0.9954	0.0364	0.2916	0.431	1.0502	-0.0246	0.0275	1.3434	0.3668	2.0603	-128.6088	-22.925	61.9756
58	2.9366	0.5152	1.2391	0.035	-0.108	3.1251	0.1595	-0.2876	-0.1641	-0.6804	-0.7459	1.266	0.3371	-3.1354	0.8192	1.2897	-0.0434	-0.4913	1.784	-0.0529	2.4473	-138.3129	-15.1622	47.692
59	7.0241	3.5682	1.9954	4.3955	-2.2282	6.9328	-1.4423	-0.2393	-1.5752	-1.5422	1.1534	0.5623	1.0913	-0.3607	0.4826	1.9161	0.0697	-0.2934	1.5117	-0.4945	2.0626	-122.2141	-38.6742	26.0356
60	0.6801	-0.4291	-0.4028	2.3138	-0.142	0.2818	0.1709	0.2127	1.0914	-1.0523	0.0616	-0.5744	0.437	0.4014	-0.5806	1.7596	0.2892	-0.8668	1.6072	-0.8451	2.3389	-126.0891	-31.7437	33.9757
61	2.9517	-0.081	-2.8043	8.3148	-2.3937	3.1003	0.3717	1.3755	0.016	-0.5064	-0.1863	-0.4024	2.4263	-2.7607	0.1	1.6575	-0.248	-0.3863	1.7395	-0.2929	1.9467	-134.6992	-34.2156	38.1278
62	4.877	2.2804	6.4457	4.0055	2.2164	8.9328	0.9665	-1.5807	-1.8219	-0.8504	-1.7256	1.0074	0.3659	-0.9179	0.333	1.6294	-0.0719	-0.4466	1.638	-0.2562	2.6301	-133.9025	-44.6625	35.3386
63	3.4119	-0.0475	2.4314	4.1095	2.0785	8.3303	0.6039	0.9669	-0.9077	-0.5819	-0.4709	0.7839	1.2939	-0.5407	-0.0919	1.5282	0.0779	-0.5474	1.4269	-0.3781	2.2871	-128.0083	-34.148	34.8337
64	5.0164	-5.0486	-6.5563	8.048	6.1058	8.6217	1.6014	2.2101	-0.5849	-0.5494	-1.1199	0.7605	0.6537	-2.4147	-0.3338	1.5536	-0.0693	-0.4838	1.7509	-0.1856	2.2719	-136.5167	-30.8639	30.372
65	5.2158	-3.3131	-3.101	5.6514	1.926	3.4128	0.5156	0.2132	0.4651	-0.0488	-0.1684	0.5168	0.0554	-0.0173	-0.2851	1.1176	0.1884	-0.1152	1.0222	0.0107	1.31	-119.0195	-17.861	50.4914
66	3.6343	3.5772	2.8932	5.0807	2.6027	6.0978	-0.2214	-0.6385	-0.1611	-0.2177	0.1892	0.8183	-0.6787	-0.8428	0.0766	0.9912	0.2938	0.0475	1.07	0.1718	1.4296	-121.591	-8.7317	57.7159
67	7.1148	-2.7978	-4.6251	4.6714	2.2281	6.6586	0.5472	-0.8194	-1.1947	-0.0717	-0.3475	0.423	0.2947	0.3402	-0.0653	0.915	0.1123	-0.0819	1.0051	0.0593	1.3676	-109.3689	-14.6954	63.4401
68	1.7895	-0.3016	-0.212	1.1338	1.5432	4.4424	0.4681	1.0898	-0.8905	-0.8837	0.3549	0.0195	0.4766	1.375	-0.7922	1.7912	0.4807	-0.3751	1.6018	-0.4624	1.993	-106.6933	-30.6809	32.8373
69	0.6314	-0.8381	0.5041	1.0465	1.6199	4.3599	0.6583	0.3264	0.2863	-0.4866	0.4214	-0.5821	0.1193	1.228	-1.092	1.7682	0.4143	-0.0478	1.8851	-0.2795	1.7618	-108.6513	-29.3418	20.8481
70	5.7493	-5.3739	-4.845	5.1817	4.7987	4.5746	-2.0561	-1.637	-2.6807	1.4852	1.8364	1.3171	1.5021	-0.0059	0.0458	1.0489	0.146	0.0487	1.2259	0.2175	1.8747	-116.2454	-24.7395	61.3487
71	3.3629	0.0045	2.7	1.6285	0.1289	5.8592	0.1813	-0.5724	-0.5885	-0.0976	-0.3342	0.5957	0.4176	-0.3241	0.2156	1.0213	0.0943	-0.0024	1.1156	0.3147	1.252	-97.3757	-23.7175	78.4909
72	2.6843	-0.5239	-2.406	9.2196	0.622	2.2957	-0.0534	-1.3118	-0.4428	1.754	-0.6282	0.2392	-0.7007	-0.7711	0.6343	1.1055	-0.1258	0.1066	1.4147	0.2443	1.4614	-105.7423	-16.9246	84.5879
73	5.2207	1.2107	4.4362	7.7544	4.7128	7.2636	0.2711	-0.4695	-0.2291	-0.506	1.0692	-1.3361	-1.8688	-0.4567	-0.6828	1.0661	0.1514	0.0967	1.2054	0.2642	1.0859	-97.8685	-12.7134	73.824
74	6.417	2.9871	3.1001	8.7827	4.171	6.1355	0.2898	0.9269	-0.6436	-0.3733	0.2997	0.7163	-0.1511	0.9509	-0.553	1.0628	0.1943	-0.1439	1.1186	0.2158	1.1833	-95.1624	-21.1438	70.1944
75	4.9305	1.1046	3.6785	5.4689	2.71	4.4508	-0.4952	-0.0838	-0.0162	-0.0325	0.5713	1.0401	-0.9286	0.1619	-0.2859	0.9953	0.0587	0.26	1.3641	0.4434	1.4073	-98.3945	-17.7763	84.1848
76	7.4101	0.366	3.6938	3.9438	-0.5879	8.532	0.4334	-1.058	-1.7769	0.0569	0.8993	1.0992	-0.6677	-1.541	-1.1232	1.1951	0.0598	0.143	1.0727	0.3889	1.6129	-108.1399	-29.1339	72.2177
77	2.3006	6.1523	6.8223	9.7765	7.0635	6.3434	0.5361	-1.7533	-0.7577	-0.0067	-0.6953	-1.1239	0.1047	-0.4866	-0.1048	1.449	0.203	0.2583	1.8191	0.3312	1.1916	-87.569	-15.7291	98.1549
78	3.0302	-3.6713	0.2197	6.2973	1.7617	1.9354	-1.5938	-1.3867	0.8909	1.3295	0.8135	-0.1766	1.6284	-0.1371	0.9501	1.9122	0.2793	0.06	2.0202	-0.1056	1.3447	-94.2346	-17.8104	119.38
79	8.7575	5.6331	-4.0805	5.1503	-6.1909	2.0723	-0.9814	0.0668	-2.2926	1.1474	0.4209	-2.7626	0.2797	-1.5734	0.59	1.9796	-0.0173	0.3606	1.7076	-0.0205	1.8389	-88.2843	-26.4811	108.4479
80	5.3214	4.6708	-4.1319	4.6525	-3.7393	6.8911	0.1268	-0.861	-0.8216	1.0279	0.1397	-0.1321	-0.1208	-0.1427	-0.1223	1.4118	0.1011	-0.0795	1.7401	0.0422	1.4658	-93.5449	-19.3892	110.9492
81	2.437	-1.9789	1.5964	1.8992	-0.8783	1.9734	0.3836	1.9252	0.8727	0.0453	0.807	-0.9177	-0.3679	0.2213	-1.3488	2.231	-0.1133	-0.2526	2.2791	0.0895	1.9992	-82.2461	-22.1544	114.7719
82	2.9575	0.2074	1.1822	3.7296	-2.691	8.9413	0.2036	-0.6976	-0.8319	0.3609	-0.0485	0.606	0.6057	-0.9865	-0.1823	1.2208	-0.1229	0.1154	1.7521	0.4976	1.8264	-120.4855	-27.4861	85.2655
83	3.7865	2.6764	2.8579	8.7571	3.8479	4.0784	0.4827	-1.0408	-0.3481	1.7326	0.5886	0.6267	0.5846	-0.9522	-1.0436	1.9497	0.1218	0.2728	1.8523	0.4056	1.2127	-106.1924	-20.9936	110.8736
84	5.6483	2.9803	0.37	4.8261	-1.2955	2.6929	0.0303	-0.9519	-0.1371	0.6405	0.1427	0.7556	0.0813	-1.3362	-0.1718	1.7542	0.1895	0.4335	2.1462	0.3327	1.3101	-109.4435	-18.6395	111.6587

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 26 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 27 through 76 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 77 through 153 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 154 through 180 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 3 through 32 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 33 through 64 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 65 through 122 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 123 through 189 )
9	X-RAY DIFFRACTION	9	chain 'C' and (resid -3 through 10 )
10	X-RAY DIFFRACTION	10	chain 'D' and (resid 0 through 115 )
11	X-RAY DIFFRACTION	11	chain 'D' and (resid 116 through 198 )
12	X-RAY DIFFRACTION	12	chain 'E' and (resid 0 through 123 )
13	X-RAY DIFFRACTION	13	chain 'E' and (resid 124 through 244 )
14	X-RAY DIFFRACTION	14	chain 'F' and (resid 1 through 76 )
15	X-RAY DIFFRACTION	15	chain 'F' and (resid 77 through 102 )
16	X-RAY DIFFRACTION	16	chain 'F' and (resid 103 through 180 )
17	X-RAY DIFFRACTION	17	chain 'G' and (resid 3 through 18 )
18	X-RAY DIFFRACTION	18	chain 'G' and (resid 19 through 32 )
19	X-RAY DIFFRACTION	19	chain 'G' and (resid 33 through 64 )
20	X-RAY DIFFRACTION	20	chain 'G' and (resid 65 through 77 )
21	X-RAY DIFFRACTION	21	chain 'G' and (resid 78 through 132 )
22	X-RAY DIFFRACTION	22	chain 'G' and (resid 133 through 189 )
23	X-RAY DIFFRACTION	23	chain 'H' and (resid -3 through 10 )
24	X-RAY DIFFRACTION	24	chain 'I' and (resid 0 through 115 )
25	X-RAY DIFFRACTION	25	chain 'I' and (resid 116 through 198 )
26	X-RAY DIFFRACTION	26	chain 'J' and (resid 0 through 30 )
27	X-RAY DIFFRACTION	27	chain 'J' and (resid 31 through 123 )
28	X-RAY DIFFRACTION	28	chain 'J' and (resid 124 through 244 )
29	X-RAY DIFFRACTION	29	chain 'K' and (resid 1 through 14 )
30	X-RAY DIFFRACTION	30	chain 'K' and (resid 15 through 26 )
31	X-RAY DIFFRACTION	31	chain 'K' and (resid 27 through 45 )
32	X-RAY DIFFRACTION	32	chain 'K' and (resid 46 through 55 )
33	X-RAY DIFFRACTION	33	chain 'K' and (resid 56 through 76 )
34	X-RAY DIFFRACTION	34	chain 'K' and (resid 77 through 112 )
35	X-RAY DIFFRACTION	35	chain 'K' and (resid 113 through 123 )
36	X-RAY DIFFRACTION	36	chain 'K' and (resid 124 through 134 )
37	X-RAY DIFFRACTION	37	chain 'K' and (resid 135 through 160 )
38	X-RAY DIFFRACTION	38	chain 'K' and (resid 161 through 180 )
39	X-RAY DIFFRACTION	39	chain 'L' and (resid 3 through 18 )
40	X-RAY DIFFRACTION	40	chain 'L' and (resid 19 through 51 )
41	X-RAY DIFFRACTION	41	chain 'L' and (resid 52 through 64 )
42	X-RAY DIFFRACTION	42	chain 'L' and (resid 65 through 77 )
43	X-RAY DIFFRACTION	43	chain 'L' and (resid 78 through 88 )
44	X-RAY DIFFRACTION	44	chain 'L' and (resid 89 through 122 )
45	X-RAY DIFFRACTION	45	chain 'L' and (resid 123 through 132 )
46	X-RAY DIFFRACTION	46	chain 'L' and (resid 133 through 144 )
47	X-RAY DIFFRACTION	47	chain 'L' and (resid 145 through 177 )
48	X-RAY DIFFRACTION	48	chain 'L' and (resid 178 through 189 )
49	X-RAY DIFFRACTION	49	chain 'M' and (resid -3 through 10 )
50	X-RAY DIFFRACTION	50	chain 'N' and (resid 0 through 115 )
51	X-RAY DIFFRACTION	51	chain 'N' and (resid 116 through 198 )
52	X-RAY DIFFRACTION	52	chain 'O' and (resid 3 through 123 )
53	X-RAY DIFFRACTION	53	chain 'O' and (resid 124 through 244 )
54	X-RAY DIFFRACTION	54	chain 'P' and (resid 2 through 14 )
55	X-RAY DIFFRACTION	55	chain 'P' and (resid 15 through 26 )
56	X-RAY DIFFRACTION	56	chain 'P' and (resid 27 through 55 )
57	X-RAY DIFFRACTION	57	chain 'P' and (resid 56 through 76 )
58	X-RAY DIFFRACTION	58	chain 'P' and (resid 77 through 87 )
59	X-RAY DIFFRACTION	59	chain 'P' and (resid 88 through 102 )
60	X-RAY DIFFRACTION	60	chain 'P' and (resid 103 through 112 )
61	X-RAY DIFFRACTION	61	chain 'P' and (resid 113 through 123 )
62	X-RAY DIFFRACTION	62	chain 'P' and (resid 124 through 134 )
63	X-RAY DIFFRACTION	63	chain 'P' and (resid 135 through 166 )
64	X-RAY DIFFRACTION	64	chain 'P' and (resid 167 through 180 )
65	X-RAY DIFFRACTION	65	chain 'Q' and (resid 3 through 32 )
66	X-RAY DIFFRACTION	66	chain 'Q' and (resid 33 through 64 )
67	X-RAY DIFFRACTION	67	chain 'Q' and (resid 65 through 77 )
68	X-RAY DIFFRACTION	68	chain 'Q' and (resid 78 through 132 )
69	X-RAY DIFFRACTION	69	chain 'Q' and (resid 133 through 189 )
70	X-RAY DIFFRACTION	70	chain 'R' and (resid -3 through 10 )
71	X-RAY DIFFRACTION	71	chain 'S' and (resid 0 through 36 )
72	X-RAY DIFFRACTION	72	chain 'S' and (resid 37 through 48 )
73	X-RAY DIFFRACTION	73	chain 'S' and (resid 49 through 63 )
74	X-RAY DIFFRACTION	74	chain 'S' and (resid 64 through 73 )
75	X-RAY DIFFRACTION	75	chain 'S' and (resid 74 through 90 )
76	X-RAY DIFFRACTION	76	chain 'S' and (resid 91 through 101 )
77	X-RAY DIFFRACTION	77	chain 'S' and (resid 102 through 115 )
78	X-RAY DIFFRACTION	78	chain 'S' and (resid 116 through 134 )
79	X-RAY DIFFRACTION	79	chain 'S' and (resid 135 through 149 )
80	X-RAY DIFFRACTION	80	chain 'S' and (resid 150 through 183 )
81	X-RAY DIFFRACTION	81	chain 'S' and (resid 184 through 198 )
82	X-RAY DIFFRACTION	82	chain 'T' and (resid 3 through 108 )
83	X-RAY DIFFRACTION	83	chain 'T' and (resid 109 through 161 )
84	X-RAY DIFFRACTION	84	chain 'T' and (resid 162 through 244 )

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