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- PDB-7q5n: Crystal structure of Chaetomium thermophilum Ahp1-Urm1 complex -

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Open data

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Basic information

Entry

Database: PDB / ID: 7q5n

Title

Crystal structure of Chaetomium thermophilum Ahp1-Urm1 complex

Components

Thioredoxin domain-containing protein
Ubiquitin-related modifier 1

Keywords

LIGASE / urmylation / Urm1 / ubiquitin-like

Function / homology

Function and homology information

tRNA thio-modification / protein urmylation / tRNA wobble uridine modification / thioredoxin-dependent peroxiredoxin / thioredoxin peroxidase activity / cell redox homeostasis / hydrogen peroxide catabolic process / peroxisome / cellular response to oxidative stress / mitochondrion ...
Similarity search - Function

Biological species

Chaetomium thermophilum (fungus)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.5 Å

Authors

Ravichandran, K.E. / Wilk, P. / Grudnik, P. / Glatt, S.

Funding support

Poland, 4items

Organization	Grant number	Country
Foundation for Polish Science	TEAM TECH CORE FACILITY/2017-4/6	Poland
European Research Council (ERC)	101001394	Poland
Polish National Science Centre	2018/31/B/NZ1/03559	Poland
Foundation for Polish Science	FirstTEAM/2016-1/2	Poland

Citation

Journal: Embo J. / Year: 2022
Title: E2/E3-independent ubiquitin-like protein conjugation by Urm1 is directly coupled to cysteine persulfidation.
Authors: Ravichandran, K.E. / Kaduhr, L. / Skupien-Rabian, B. / Shvetsova, E. / Sokolowski, M. / Krutyholowa, R.C. / Kwasna, D. / Brachmann, C. / Lin, S. / Guzman Perez, S. / Wilk, P. / Kosters, M. / ...

History

Deposition	Nov 4, 2021	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Aug 24, 2022	Provider: repository / Type: Initial release
Revision 1.1	Aug 31, 2022	Group: Database references / Category: citation Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.year
Revision 1.2	Sep 28, 2022	Group: Database references / Category: citation / citation_author Item: _citation.page_first / _citation.page_last ..._citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.3	Oct 26, 2022	Group: Database references / Category: citation / Item: _citation.journal_volume
Revision 1.4	Jan 31, 2024	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.5	Oct 23, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	7q5n.cif.gz	739.7 KB	Display	PDBx/mmCIF format
PDB format	pdb7q5n.ent.gz	552.5 KB	Display	PDB format
PDBx/mmJSON format	7q5n.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/q5/7q5n ftp://data.pdbj.org/pub/pdb/validation_reports/q5/7q5n	HTTPS FTP

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Related structure data

Related structure data	7q68C 7q69C 7q6aC 4dsrS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	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	#117 - Sep 2009 Xanthine Oxidoreductase similarity (1) #154 - Oct 2012 Citric Acid Cycle similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1) #82 - Oct 2006 Cytochrome p450 similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

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Assembly

Deposited unit

A: Thioredoxin domain-containing protein

B: Thioredoxin domain-containing protein

C: Thioredoxin domain-containing protein

D: Thioredoxin domain-containing protein

E: Thioredoxin domain-containing protein

F: Thioredoxin domain-containing protein

G: Ubiquitin-related modifier 1

H: Ubiquitin-related modifier 1

I: Ubiquitin-related modifier 1

J: Ubiquitin-related modifier 1

K: Ubiquitin-related modifier 1

L: Ubiquitin-related modifier 1

hetero molecules

187 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: Thioredoxin domain-containing protein

B: Thioredoxin domain-containing protein

G: Ubiquitin-related modifier 1

H: Ubiquitin-related modifier 1

hetero molecules

defined by author
Evidence: gel filtration
62.1 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

C: Thioredoxin domain-containing protein

D: Thioredoxin domain-containing protein

I: Ubiquitin-related modifier 1

J: Ubiquitin-related modifier 1

hetero molecules

defined by author
62.2 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

E: Thioredoxin domain-containing protein

F: Thioredoxin domain-containing protein

K: Ubiquitin-related modifier 1

L: Ubiquitin-related modifier 1

hetero molecules

defined by author
62.2 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	185.430, 197.220, 139.180
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	20
Space group name H-M	C222₁
Space group name Hall	C2c2
Symmetry operation	#1: x,y,z #2: x,-y,-z #3: -x,y,-z+1/2 #4: -x,-y,z+1/2 #5: x+1/2,y+1/2,z #6: x+1/2,-y+1/2,-z #7: -x+1/2,y+1/2,-z+1/2 #8: -x+1/2,-y+1/2,z+1/2

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Components

#1: Protein	Thioredoxin domain-containing protein / CtAhp1 Mass: 18160.523 Da / Num. of mol.: 6 / Mutation: C30S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Chaetomium thermophilum (strain DSM 1495 / CBS 144.50 / IMI 039719) (fungus) Strain: DSM 1495 / CBS 144.50 / IMI 039719 / Gene: CTHT_0014370 / Production host: Escherichia coli (E. coli) / References: UniProt: G0S1P8
#2: Protein	Ubiquitin-related modifier 1 / CtUrm1 Mass: 12482.196 Da / Num. of mol.: 6 / Mutation: C55S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Chaetomium thermophilum (strain DSM 1495 / CBS 144.50 / IMI 039719) (fungus) Strain: DSM 1495 / CBS 144.50 / IMI 039719 / Gene: URM1, CTHT_0062030 / Production host: Escherichia coli (E. coli) / References: UniProt: G0SE11
#3: Chemical	... ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 41 / Source method: obtained synthetically / Formula: Zn
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 157 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N
Has protein modification	Y

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Experimental details

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 3.46 Å³/Da / Density % sol: 64.46 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 0.05 M Zinc Acetate Dihydrate, 0.1 M Sodium Cacodylate pH 6.5, 4 % w/v polyethylene glycol 8000, 30 % w/v ethylene glycol

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.9184 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 9, 2019
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9184 Å / Relative weight: 1
Reflection	Resolution: 2.5→50 Å / Num. obs: 87068 / % possible obs: 99.3 % / Redundancy: 6.74 % / B_iso Wilson estimate: 78.35 Å² / CC_1/2: 0.999 / R_rim(I) all: 0.102 / Net I/σ(I): 10.94
Reflection shell	Resolution: 2.5→2.57 Å / Num. unique obs: 8611 / CC_1/2: 0.386 / R_rim(I) all: 4.236

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Processing

Software

Name	Version	Classification
REFMAC	5.5	refinement
PHENIX	1.19.1_4122	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4dsr

4dsr

Resolution: 2.5→48.47 Å / SU ML: 0.516 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 36.7581
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2716	4359	5.01 %
R_work	0.2344	82709	-
obs	0.2362	87068	99.05 %

Solvent computation

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

Displacement parameters

B_iso mean: 109.99 Å²

Refinement step

Cycle: LAST / Resolution: 2.5→48.47 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12466	0	41	157	12664

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0063	12712
X-RAY DIFFRACTION	f_angle_d	0.9806	17280
X-RAY DIFFRACTION	f_chiral_restr	0.0596	2003
X-RAY DIFFRACTION	f_plane_restr	0.0055	2247
X-RAY DIFFRACTION	f_dihedral_angle_d	16.4548	4568

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 (%)
2.5-2.53	0.5377	141	0.5378	2649	X-RAY DIFFRACTION	96.34
2.53-2.56	0.5594	144	0.5372	2732	X-RAY DIFFRACTION	98.46
2.56-2.59	0.4876	141	0.4852	2703	X-RAY DIFFRACTION	98.17
2.59-2.62	0.4724	145	0.416	2725	X-RAY DIFFRACTION	98.46
2.62-2.66	0.4141	144	0.3862	2708	X-RAY DIFFRACTION	98.21
2.66-2.7	0.442	141	0.3744	2670	X-RAY DIFFRACTION	96.86
2.7-2.73	0.4364	142	0.3705	2706	X-RAY DIFFRACTION	99.03
2.73-2.77	0.3873	145	0.3502	2756	X-RAY DIFFRACTION	99.49
2.77-2.82	0.3803	146	0.3411	2773	X-RAY DIFFRACTION	99.59
2.82-2.86	0.3723	144	0.3496	2720	X-RAY DIFFRACTION	99.62
2.86-2.91	0.3458	144	0.363	2738	X-RAY DIFFRACTION	99.45
2.91-2.97	0.4164	145	0.3644	2746	X-RAY DIFFRACTION	99.48
2.97-3.02	0.4596	146	0.3486	2772	X-RAY DIFFRACTION	99.52
3.02-3.09	0.3682	145	0.343	2756	X-RAY DIFFRACTION	99.49
3.09-3.15	0.3744	145	0.3175	2747	X-RAY DIFFRACTION	99.62
3.15-3.23	0.3659	146	0.3082	2785	X-RAY DIFFRACTION	99.69
3.23-3.31	0.27	141	0.293	2679	X-RAY DIFFRACTION	97.01
3.31-3.4	0.3395	146	0.2934	2756	X-RAY DIFFRACTION	99.55
3.4-3.5	0.3163	145	0.2839	2759	X-RAY DIFFRACTION	99.83
3.5-3.61	0.3045	146	0.2755	2776	X-RAY DIFFRACTION	99.83
3.61-3.74	0.2902	147	0.2381	2782	X-RAY DIFFRACTION	99.86
3.74-3.89	0.2542	147	0.2352	2790	X-RAY DIFFRACTION	99.73
3.89-4.06	0.2585	145	0.2254	2761	X-RAY DIFFRACTION	99.93
4.06-4.28	0.2575	147	0.206	2789	X-RAY DIFFRACTION	99.76
4.28-4.55	0.1929	144	0.1771	2748	X-RAY DIFFRACTION	97.77
4.55-4.9	0.1812	147	0.1681	2791	X-RAY DIFFRACTION	99.93
4.9-5.39	0.231	149	0.1818	2828	X-RAY DIFFRACTION	100
5.39-6.17	0.249	149	0.2095	2835	X-RAY DIFFRACTION	99.97
6.17-7.76	0.2497	148	0.208	2812	X-RAY DIFFRACTION	98.21
7.76-48.47	0.2122	154	0.1621	2917	X-RAY DIFFRACTION	98.71

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	5.68637821992	0.346877773793	0.970743420869	1.27577551055	-1.63382627576	1.72434874619	-0.482244253405	-0.651400072526	0.374610694332	0.281887783185	0.191546299336	0.11616851336	-0.300228411201	-0.194194705049	0.263510767235	0.645835762779	0.0261820913585	-0.0851393251521	0.549296506065	-0.121706293717	0.529291109292	14.9534701899	25.9317538142	50.1034906273
2	9.42980650621	-3.6608167755	1.6065657582	8.45889342929	-2.37256800707	2.18961566909	-0.569181511177	-1.4886044818	0.19036841642	0.623999647467	0.731162865964	0.753008712494	-1.18667447215	-0.843870714365	-0.0520334514843	0.705646042706	0.0467065947977	-0.133239193417	0.547754997313	-0.0742706972466	0.554590818289	10.7524215702	31.9209377502	50.9112096333
3	6.08671588291	-6.99366202039	0.665452935615	9.04220809126	-1.35735292205	2.17313653943	-0.0660850155855	0.262957841642	0.656216541299	-0.764497182534	0.00817303491987	-0.861591228621	-0.170571792258	0.594466831298	0.061888557095	0.500666832884	-0.168542291204	-0.116320440614	0.511381874506	0.0533005135606	0.585900774551	21.480339047	31.1146192634	36.2658628002
4	4.19192844383	-1.29604236415	0.804017056466	2.11480528614	0.0904159353615	4.90846578588	-0.244517819497	-0.292963990585	-0.141757146871	0.0460153925657	0.064493508307	-0.309509518195	-0.0228604067161	0.120637939841	0.212091913252	0.649322017254	-0.0426299556046	-0.109825936723	0.531428136233	0.00479205063743	0.542068336873	17.6065687285	25.2132603255	45.2035806885
5	9.0617274179	-3.57509038697	-2.09100971097	9.47488047182	0.399817866403	6.46294376082	-0.697181444382	0.0425531991796	0.778688697869	-0.292743388195	0.361445472026	0.452816087082	-1.13325712717	-0.366238906901	0.287106951709	0.561294221623	0.0127136554642	-0.226614196458	0.329744554118	-0.0482598246226	0.556012702004	6.28542475484	31.3209619295	39.9929465779
6	7.70506476581	0.363356438123	0.209570582606	8.32252638552	3.81054689573	7.08974740208	0.566608644627	0.768194649337	0.49412263984	-1.1161896245	-0.36946023196	-0.623550997042	-0.716309648225	0.0923037776935	-0.0857708714315	0.819211309888	-0.139558324433	-0.143925090167	0.679542687107	0.0240511289221	0.609790660867	10.9790339655	32.5651975806	31.5297861063
7	4.08617171308	-0.499074077526	0.619322843396	5.39195261818	-3.00940055234	5.07897543509	0.209861587557	0.683893004683	0.148598231431	-1.26807967296	-0.0163031395975	0.89380920694	0.496803606119	-0.00679158617886	-0.214342085267	0.771189917395	0.150511370824	0.071229891737	0.75426012491	-0.0325234935964	0.610063161849	32.7346380166	3.9402297032	39.8641670036
8	2.38437277499	0.077246966288	0.00817774028427	4.07467438158	-0.406335462732	3.40809473489	0.0788324375612	0.408885582858	0.0373039336443	-0.619787777957	-0.386468244126	-0.306976964638	0.135846991883	0.595549705465	0.319053361989	0.584073239537	0.0746945722304	0.0162969459893	0.770579556713	0.0775094504281	0.549818304318	35.6293332864	6.60051212773	45.6378348521
9	8.64646380356	-3.04446057819	-3.57381835893	2.65373355143	2.96640176868	9.27682489936	-0.20873424244	-0.0651791141742	-0.273018335299	0.278164595715	-0.202195095427	-0.102537727779	1.10852396521	0.771443625491	0.256099913874	0.516270525275	0.153966429647	0.0307330378447	0.64546367287	0.098469944475	0.567809399981	36.663572936	-1.49309534465	54.4269837541
10	5.15309647793	4.70906736881	-2.0192960497	7.75733017365	0.294700859807	6.72838444583	-0.311807294602	-1.82535682139	0.153087849665	2.12214352321	-0.0956069281192	-0.358286782482	0.392930317557	0.657212386003	0.173690679678	0.307010297682	0.223376077011	-0.00567607474562	0.940443938993	0.230424996262	0.613054772197	48.0339818904	-2.86198666599	52.4536340937
11	2.12043077985	-1.4414635986	0.956762186877	7.1172259437	-1.5551686717	6.59590081628	0.0524248516021	0.0266936716038	0.214681238159	-1.77060559599	0.00952280593098	0.511718467104	1.02921236696	-0.600905083121	0.0106828653299	1.14434346423	-0.126163468354	-0.0284670029194	1.18443121737	0.24602324764	0.931084167251	24.961461326	48.9853674958	6.75638749005
12	1.61224258335	-1.68705797902	2.90334761987	1.97326346638	-3.85808628572	8.31011641399	-0.192350404955	-0.186767511791	-0.526989697916	0.274666650336	0.692179570794	-0.143023132039	-0.687161664303	0.185740104467	-0.66674059309	0.831676291288	-0.348453750433	-0.00402974175987	1.03101733807	0.157811158685	0.836041999899	28.3211719236	30.0727097386	25.0453750931
13	2.80375148165	-0.0132924066592	1.97877548017	4.35888764611	-0.988032526812	3.37420796155	0.0680817145708	0.0145070745121	-0.0523653396126	-0.041563284085	0.127916523482	0.351287649345	-0.0743637976684	-0.173946030944	-0.242108607068	0.8260442191	-0.179595623826	0.13707822907	0.719931665767	0.138728001878	0.763827597036	30.6452248238	46.9183850415	19.9687685852
14	2.70753871238	1.190019159	-1.49143625459	3.16498547403	1.34297450108	3.76365917107	0.186104552422	0.556124077093	0.623838251482	-0.770462783562	0.060604992576	-0.114875502535	-0.354071903825	0.048244847503	-0.287651377135	0.748229914716	-0.112834314332	0.0537371143426	0.60750799028	0.173381005739	0.758699570988	32.9274833025	48.2385580696	15.2198480206
15	2.79752268762	-3.60487069796	-3.63550054507	9.20068897263	6.8112191388	5.99757393428	-0.497919143117	0.30660594762	-0.649988971308	-2.2296833892	0.977792273518	-0.393737602749	-0.60957321468	0.92543725014	-0.567880458434	1.63990426557	-0.0789140538905	0.387273695466	1.12292971916	-0.171809859753	1.3280432852	53.7162476996	16.7412110879	5.73155118116
16	3.29890826547	1.24075917621	-3.64091164741	4.56846608957	2.19165183466	9.37967483248	0.649016699898	-1.1431168459	-0.460808172385	0.922136810259	-0.462902409642	-0.263620065204	0.936343042088	-0.871797908153	-0.156503240631	0.592742388141	-0.0686510914996	-0.142241067706	0.857087784044	0.133799818038	0.831529026505	50.5082636031	34.6307811762	25.2849271415
17	2.22773291163	-2.21964958108	-0.161068466485	3.10952436599	2.03666639285	3.92836474565	-0.422309429636	0.026466517015	-1.13287028675	-0.337551305467	-0.520102329487	-0.762635921889	0.87713787794	2.7232335722	0.861967942567	1.15137193056	0.270061830629	0.499528804661	1.45787080812	0.114048381595	2.02044721458	59.5899979001	23.6661758803	13.1085074811
18	8.61412676827	-4.13609489907	-2.72247074384	8.77649774776	0.857758573389	0.813174556202	0.100971279099	-1.13693656091	-1.28112319547	-2.01574143302	0.217290053331	1.04113079003	0.828875726403	0.282408270227	-0.257542070123	1.26492814522	0.0625256453232	0.278156655133	0.648290433327	0.26575669397	0.767912754268	47.8534948397	18.6729584537	16.0716389525
19	8.21088678281	-5.47530886877	-2.43663220972	6.56231028134	1.04021471638	4.81630013439	-1.05655274359	-1.35516451619	-1.90952711114	-0.234062799605	0.962357603563	0.651242207839	0.85762546986	0.0564474697754	0.109672769348	1.24361089468	-0.0610288911595	0.201607744732	0.705795897818	0.153379789477	0.991586726396	42.6716062609	14.8427671187	24.4343339773
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22	5.97589131181	1.80238236733	5.66386785362	2.39166386416	2.92340402871	6.16188641764	0.457607878203	4.04702311637	0.26463875418	-1.74840833378	0.0761924307385	-1.48687700881	0.0788504733398	-0.164208332889	-0.303970010138	2.30117251986	0.189836570883	0.672798948863	1.64465242289	0.037414898365	1.19755077371	47.8329122	24.049609796	3.91278466844
23	5.29830481283	3.49922221449	-5.26631471016	2.5365092987	-3.47963653705	9.83182201539	-0.429921951442	0.0169830594979	0.247457234047	-3.26184054292	1.09430363822	-0.197901775035	0.626790456017	1.3794688026	-0.627814215045	1.83651816345	-0.29269994133	0.465485250106	1.48572597949	0.0242119738645	1.1882525974	40.9104667576	20.1416255158	5.902938374
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25	8.91474846068	0.0927907854397	5.46630085869	4.94587487722	-4.93399836158	8.49833313969	0.499804426121	1.11074949812	-0.168376491804	0.67493041455	-0.87886000005	0.410867272954	0.593949028445	1.49897263597	0.15304065391	1.86270619358	0.146156794802	0.397975386955	0.930593623766	-0.0998216332554	1.46655972962	42.2886042626	7.35825220126	15.5157800604
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27	5.48399447782	-0.64620454698	0.147134786979	0.0791728157499	-0.344266196963	4.17936201094	0.886101881292	0.451920119147	0.166978397268	-0.403560083595	-0.181920443016	0.839959386098	-0.503854635041	-0.120299772645	-0.73467334275	1.23447777019	-0.245216180927	0.0850276607876	1.10897149402	0.191225546014	0.738376988637	47.727971162	46.9788101514	42.7498866188
28	2.48000694849	-2.655211083	-0.487278165048	4.99169924005	-1.03248552962	4.62867273494	0.565447734577	0.668313756823	1.23294139463	0.0121546868894	-0.331823533519	-0.93372488096	-2.71072484588	-0.121366164529	-0.194333004339	1.55313520585	-0.0578132937097	0.185334824874	0.587761488766	0.0616725980313	0.744136395699	40.764523054	60.4908236174	51.3052912175
29	3.3014542079	-4.15957042014	-1.05577369091	8.77883884011	-1.95417164492	3.86745617663	0.581731928565	0.584609285725	-0.292593485535	-0.0695638221732	-0.745289664883	0.649878973148	-1.08032195157	0.147547271613	0.240281348802	1.04883634037	-0.266251193049	-0.035692080149	0.855812450366	0.0374041342061	0.708697031479	34.7705174682	45.4351630443	56.3889907791
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31	4.97407809206	-0.434035035014	4.57559079219	7.8664916725	-3.26728531809	5.2592649722	-0.00779743915883	0.0951284628712	-0.881775538368	1.01482317738	-0.136532331798	0.338339999037	-0.94498948369	-0.716732823411	0.297460217227	1.40113206613	-0.278510036687	-0.0336807157811	1.15151420382	-0.0649060952387	0.849749115785	37.9474981226	46.8261605848	69.7018922371
32	2.76523386345	4.49110338312	-1.53735670714	7.40838492257	-2.43552717488	1.95781764628	-0.735975773165	-0.0626572304547	0.271889534483	-0.311493296799	1.60815805368	1.73264959386	-0.0955599458661	-1.33846877417	-0.807479000061	1.17915067736	-0.0975243713863	-0.0249532635869	0.932801506528	0.057980646443	0.944499961463	26.0779625503	54.7729871041	62.2448198072
33	1.41763993077	-1.5672259323	-2.72262472269	6.21553532268	5.70423751386	6.96093642159	-0.906704218776	1.34923512656	-0.174952811754	0.421888631805	0.243993391541	-1.36115331931	0.952130880961	1.94514104449	0.0686362210448	0.828064808831	-0.299856233999	-0.174657394837	2.35406595494	0.485487830309	1.39658652627	72.4786575943	30.5459588717	60.588085528
34	0.735505083573	-0.802806260224	-0.0649061038088	0.875423200586	0.206311394986	1.84150462483	0.517943886891	-0.110674753095	-0.276049094239	-0.46211542703	-0.831019319843	-0.203038562487	-0.588001912683	0.487300093007	0.250423501413	0.842415446123	-0.350183914035	-0.186130770534	0.765511810525	0.189636723858	0.894557240044	46.6913883866	28.6140411599	56.4278158526
35	5.02138403905	-2.4087915271	0.667010436284	2.75504635102	2.33131130043	6.58359573528	0.345172004244	-0.190497773856	-0.00905166464585	0.0726344534108	-0.511541859425	-0.718268717529	0.0472437681661	1.68431617113	0.206872551661	0.633064544312	-0.172028935165	-0.019972239711	1.60295163892	0.420010567649	1.02952022936	63.0191277807	31.0766352041	51.5416342592
36	8.64011865313	4.58431447514	-4.45114657052	6.71185296171	-0.311793940184	3.41758981514	0.242659279399	-1.28041329077	-1.56398332413	-0.61339490925	-0.237348190583	0.448251988043	1.93487639859	2.25008694096	0.0864617415387	1.12665151261	0.0441108657187	-0.145639388123	1.50744455904	0.243212342529	1.2862765145	64.5928779268	19.8479693055	42.6825345514
37	2.69887034141	0.0404781392803	1.27442225317	2.29790567738	1.89080870037	8.59810270886	0.430478608295	0.136007983029	-0.495132914904	0.125771818248	-0.646381796098	-0.471525530691	0.133301839328	1.57845207664	0.149708070875	0.647850236577	-0.20712964527	-0.103636154633	1.14074151481	0.209839601217	0.792487976382	56.40435865	30.7358283561	52.832312625
38	5.55584122388	-3.36407657621	-0.106848704126	1.91763644838	-0.253921067792	3.05109738309	0.384759096857	-0.0663168106259	0.620222528452	0.305856936969	-1.07397197511	-1.4338409975	-1.39740552506	2.05007555975	0.291125282825	0.490171335547	-0.515712954794	-0.0243075636735	2.22329303094	0.586488269769	1.16760710958	71.2185453625	35.0284128673	55.4218570378
39	5.81439262603	-5.35794210421	3.08523364567	4.90477128733	-2.85025532364	1.70578077863	0.433999564758	0.403933771655	-0.274593494455	-1.01727701141	-1.46573419221	0.127093672031	-0.59848913723	1.94201224665	0.876596598092	1.03398618833	-0.225369225633	-0.0517032575897	1.91900275181	0.49160117668	1.12734017748	71.3980874833	40.2042119484	43.3917908466
40	2.10537789109	-1.14495695927	-3.01736111739	8.58965047293	4.28427394274	9.79653183851	0.0815741962841	0.175518086214	0.303689879059	0.304719338819	-1.01707615858	-1.62140518328	2.00939105489	2.21062107081	1.11473010478	1.06040986294	0.147724934498	0.0972223032108	2.33818148416	0.492568873653	1.3514106154	74.4677660032	24.5912243049	42.0405379704
41	2.81798735589	-2.72895812932	-1.87985465548	4.04212749853	-1.28174931156	6.83242621414	-0.334532653891	1.27778339115	-0.0334940667365	-1.03897624675	0.0276303583438	0.133262778396	-0.0141601545694	0.7920247986	0.26036064836	1.27391774592	-0.362164954699	-0.206951470533	1.7290818258	-0.125092645436	0.812475250476	8.15472321322	25.4335783387	-0.74508830873
42	6.99832311922	-1.61542560063	-3.3295935159	3.02858321504	-1.53712318152	4.40738330845	-0.315998743443	2.11030385101	0.87495432206	-0.434331812229	0.0663481812355	-0.0125023746993	-0.191971220838	0.514373596508	0.176648965916	1.01532964042	-0.297835290514	-0.179856579755	1.48255176603	0.247083839672	0.907714651788	7.42028936545	32.9614241888	6.87310055266
43	3.13881885493	-2.66034391507	-0.803615100453	3.5977086476	-1.38358786685	3.81014770888	-0.54876470166	2.10589772205	-0.24745394766	-1.01683750131	0.459215993706	-0.679518926126	0.151452995108	0.924089006006	0.0970781055695	1.07256625962	-0.390143808792	0.0480696591105	1.82390429117	-0.154689590486	0.854163847083	18.0872109188	23.3582910395	5.21206871607
44	4.73509555182	-3.44714088057	-1.4586411105	8.04128612296	-3.24530471084	3.80137659037	-0.956436420372	-0.874174763507	0.833541101968	0.824601063367	-0.300705127085	-0.656760778463	-1.68317391559	0.757143706503	0.898523495566	0.85922976298	-0.342055145821	-0.116995186205	0.947401504344	0.173939359471	0.76584996185	46.8683260081	16.8459154882	84.4615831485
45	9.35753584013	0.598268516138	2.45458610387	2.34286637798	0.827992095839	2.12578649042	0.490071291866	-1.58857827328	-1.06183330719	0.975757511116	-0.551354115205	-0.42371843867	0.784789887079	-0.0701390183343	0.166506328862	0.76254745025	-0.239778422732	-0.0737267563732	0.964825120397	0.147517481435	0.78886001967	40.7048730591	11.3237926388	76.4201088867
46	2.84001223493	3.31589877316	0.470146056172	7.19797226563	-0.202424683846	0.229295494406	-0.70282856689	1.02644307974	-0.581834040356	-0.459106372828	0.176982935432	-2.76566160348	-0.313960796426	1.18079954812	-0.6690081918	0.267558937856	-1.30051050837	-0.56132417496	1.56335014267	0.503680255683	1.68596629792	60.2620859546	21.9457225504	82.5894895859
47	6.00518395282	3.20719248201	3.80088679573	8.34323863459	3.85395836533	6.69381801295	0.0952387060399	0.673133060333	-0.0644269128007	0.0952520458281	-0.169582943154	-1.24997139286	1.07811407216	1.62549573939	0.0997818730891	0.483424920088	-0.0416804011117	-0.074181941251	0.891832794614	0.204935799974	0.735746846574	49.6034786508	13.8351847384	69.8727249373
48	5.47607633436	3.58123045512	-0.669873652701	7.06625180543	-5.85218952518	6.36312712758	0.505423737418	-1.40418812632	0.914674074321	1.85241639039	-0.225850297048	0.881146386855	-2.21945684378	-0.571760526275	0.369379322949	0.305746879173	-0.487710359419	-0.277014051659	0.762790795083	0.110215142133	0.683349168866	41.7132601401	26.4207478322	74.8219947887
49	4.75238571901	-4.84859982491	0.503787246055	4.94518041924	-0.294219326953	5.50088496533	0.100335514697	0.95222610516	-0.525935693632	1.7489692509	-1.38128243608	-2.04789181331	-1.13368334989	-0.184949068702	1.08273551631	0.907921945575	-0.513967721092	-0.211347730833	1.21635681935	0.111539056826	1.19419398699	46.8852822225	31.9959814824	74.0457950546
50	6.3711106055	-1.11577484857	3.38913221888	2.45309196035	-2.43051202666	9.03954602541	-0.568190470858	-0.730348728968	0.908687625355	0.0979048275815	-0.561851644953	-0.0276995439217	-0.513338632952	0.48146949419	0.827449035232	0.771733251351	-0.278201358199	-0.117553146698	0.725181587829	0.177646434752	0.754413361371	43.786424316	22.2726611573	76.1271283548
51	7.75121986469	2.74648462886	2.22848373873	8.37772001597	-0.422044169204	2.70340362496	0.167088820575	-0.337207294806	-0.0390466602285	0.92260632173	-0.29820408588	-0.690744856296	-0.458857315424	0.534005858369	0.319708688931	1.12033137946	-0.541029840945	0.237797734269	1.10730356966	-0.0645650850687	0.71714772996	59.4277736476	64.5716347904	24.8134758975
52	5.12754265282	1.25481171238	5.29085200469	3.51122732214	4.02731761916	7.83807926959	-0.218145980144	-0.35744267603	0.653032734939	0.941418691254	0.198435722542	-0.436013343221	0.214845252535	0.587878852449	0.503794702728	1.62536150165	-0.675805367302	0.21277267777	1.29140006636	0.0123226373917	0.86743258758	59.6241015619	69.0202073468	29.8734002355
53	6.23388773823	0.730154760659	2.82782395137	5.76203845307	0.799147377433	5.26821642733	-0.615002794674	0.140303814498	1.02961957769	1.79401179268	0.0227862170206	0.838238884052	-2.28133465778	-0.0431770307768	0.340337841786	1.72073379046	-0.479888241223	0.305824690523	0.70798095428	-0.0198405029886	0.925191326534	53.8864112477	67.7856352848	31.4796137013
54	4.51604213616	-0.34541368566	3.59762226704	3.48056720844	0.814346831631	3.09112226868	-0.00462294595692	-0.611008357052	0.206619682099	0.769485566776	-0.519392243844	0.314019782351	-1.03193115469	-0.247564710914	0.478087745571	1.30635227089	-0.403715092983	0.122496808392	0.764302610904	0.164717994032	0.937421651341	49.7996144758	59.152303897	29.3589896268
55	3.2242388556	-3.3607588135	0.0361078515569	5.14936732666	3.70871349617	8.3438504399	-0.57827979503	0.122416547045	-1.33467319994	1.01186772578	0.258619733174	-0.466908714342	0.468277858341	0.93688579462	0.428682903358	1.15028435094	-0.589347390309	-0.0201571134647	1.63309275964	0.169181774263	1.0798026777	64.8029851861	54.2270700599	35.6914372488
56	9.29920751273	1.33123298944	3.96752944605	7.49232830958	-4.09702590369	5.07586749896	-0.800227757057	-0.450772042255	1.11324454957	-0.98380500099	0.248593320618	0.212941185734	0.884355685368	0.189674034652	0.678359083996	1.69592225476	-0.688750387006	-0.00216007042894	1.56060072336	0.13872715175	1.00193748228	65.3641246532	63.6018171691	36.6093950944
57	8.65686252082	5.60275673271	-0.0730428872911	3.93238063208	-0.929145465513	7.41947861897	-0.552664761784	-0.401512071333	-0.859416550694	-0.329395412481	0.304833825817	-0.581850934842	-0.862161683759	1.4182809179	0.308892792166	0.817245544771	-0.363089671942	0.056987946272	0.726528766557	0.0645657856401	0.865815431378	56.2660260053	53.3244269185	25.8083076824
58	3.65952251808	5.04933283784	0.733356105973	9.93171208627	-0.815270280065	6.07932487957	0.030174201899	0.894784217803	-1.14950618146	-0.244431956268	0.13438740305	-0.278487960459	0.846027696124	0.460791783109	-0.0252488693847	0.999169776903	0.0292636520547	-0.0465398980102	1.16439485595	-0.588181970972	1.39770544454	12.6441506037	4.63337851348	9.41147815235
59	8.33885553247	-0.965447142438	8.5098078916	7.56848501157	-0.780846807006	8.68809769163	1.22592808306	2.48773148996	-3.05531910566	0.36394028907	0.391813280694	-0.77157039808	0.244029193359	2.60605913217	-1.45980019728	1.40871372456	0.261432878639	-0.11100148956	1.68988237781	-0.796292774924	1.68071171274	13.614493867	3.83093472877	5.4110718306
60	3.64566227996	-3.46485004976	-3.22208599414	5.62833642104	1.28402240218	4.28790721383	-0.34713477307	0.113643860749	-2.2782297959	-0.0633644522513	-0.322603723329	0.505611757094	0.108381071377	-0.171626369924	0.812552242849	1.46127559824	0.141362836332	0.0396764419541	1.13390317346	-0.413245007137	1.70218515252	10.3493948588	-3.53414897517	20.2564358627
61	7.27518092045	0.23082631129	1.43714284694	0.00193736311277	0.0529559779417	0.261573586937	0.867642059543	-0.457104070476	0.113328975322	0.18595456963	-0.904979634125	0.258982830626	1.53379298975	0.400043504989	-0.306057345791	1.41325552369	0.417569585745	0.245732016073	1.78887527383	-0.325195104455	1.64957014904	25.1760881273	-0.10149003247	12.6281241368
62	7.90815657624	-1.95584025034	3.55403071603	6.10920033933	-1.75681096334	6.62830451417	0.133017786934	1.56285237	-1.67542255106	-0.504515759258	-0.205576028846	-0.308529323721	0.916836042605	1.79756126684	0.257030231136	0.981653120779	0.00201745696665	0.0179289060676	1.36091818663	-0.310242549407	1.39844283811	19.2502207335	8.07954156635	20.4008701787
63	9.294104873	1.8912666677	0.299629494897	9.61575306166	0.655242869877	5.55656885351	-0.821889076377	1.26509865018	-0.360888703154	-1.03143363976	0.597430375472	0.465731067752	-0.151938412317	0.507100573291	0.212539952681	0.866077801623	0.0349191038995	0.0583867628883	0.826508654313	-0.256853648164	0.897596017609	10.0306105788	10.7079893271	18.169232269
64	4.34734590216	-0.636032246703	-0.858048871868	2.16232641857	-0.234669320548	2.04416298026	0.17626808106	-0.0586910258033	-0.932043504473	0.9707291094	-0.544142975668	0.312823783525	-1.01320545504	-0.681153060015	0.611303162897	0.687631744383	-0.530487876292	0.0570614700705	0.906464743799	-0.0530420470251	0.611131212847	21.0314046294	27.133561518	82.6059386835
65	7.88995220167	-0.817612192437	-1.33361065487	5.62284837982	-1.11231550464	8.1558466973	-0.284328576062	-0.410732380353	0.657698812277	0.962634126498	-0.176550489538	-0.239799877879	-0.59620266285	0.0750892646996	0.391630054946	0.853821385279	-0.334326956998	-0.00249399932798	0.823886764977	0.00277653659012	0.670899437312	29.0045285	34.6376920786	79.0183247794
66	7.68685345239	-1.16836885161	-4.45940605464	9.08482210544	7.19868923365	7.40122495114	-0.514559502962	-0.0750853074915	-2.21576962898	-1.10153554309	-0.162961137778	0.503824817587	-0.885621933272	0.252554166215	0.521750361227	0.680841024297	-0.346390823407	0.0310557348347	1.13148921079	-0.183977197931	0.991791753396	8.57421393304	24.3689397088	75.7478445494
67	6.39027394951	3.62806465591	2.97589702927	8.70819629938	1.3820111217	2.22346170419	0.174923828972	-0.192908429406	0.527022876925	0.156191545754	-0.269953676196	1.63478692658	-0.729854704039	-0.694754393338	0.146502732962	0.823165519616	-0.136114856407	0.0344947765483	0.809990846736	-0.0547751850995	0.743812025554	21.4675595196	36.7114499275	72.7760779838
68	6.23974257497	-6.23148282489	-3.72383031683	9.91151095939	4.49120047746	7.64531648086	-0.704198236125	2.89740841815	-1.10487097916	-0.232410899634	-0.508174287718	1.29341974041	-0.0122146940951	-0.836441816215	1.07230321982	0.961312088403	-0.392329499093	-0.0514934014777	1.35954304682	-0.141056234945	0.88035548496	23.0219243705	32.80743373	64.0407605766
69	4.04509134653	-0.340225178282	-3.43267214253	2.42970214368	0.96392493064	8.24149305313	0.451928761468	-0.33032358166	-0.441237618964	0.0351376134448	-0.496868654426	0.328394664772	0.30813468506	-0.45672231784	0.0352347235923	0.592719295408	-0.240255859455	-0.148331530754	0.827118717804	0.00789860306591	0.691709321525	26.5658589598	22.6856847304	72.325902835
70	0.00987458632163	-0.194945533324	-0.159523100599	0.644604657081	0.254548258878	0.346441841037	1.98756515489	-0.671604954874	1.38089413138	-0.0520348468208	0.87877520266	-0.464100602659	-1.03798455326	0.82599877105	-3.15173330926	1.24943662747	-0.233174538607	0.399506619087	1.48597923083	0.236637380007	1.57055600709	76.9306690127	47.6185315479	16.7916111051
71	2.54187414338	-2.23664835113	-0.302740454628	2.48604830234	-0.595431005134	1.24086187086	-0.275210669897	-1.37643624445	-0.594550418639	0.408369201678	0.101041069049	-1.64670182565	-0.713518459302	1.33374409001	0.00527472326992	0.967078483869	-0.399062774459	0.0852544580508	1.80796113436	0.508388933504	1.86287450361	75.0445078508	45.7845970531	27.9463862297
72	6.82957238847	-7.02144801269	6.20389094282	7.23528543579	-6.23426638901	6.73562884625	1.23267723237	0.491258741662	-0.514591554521	-1.46389626442	-0.360033885597	-0.669848294024	2.15603005408	2.54888464158	-0.641093575898	1.14228987623	0.103067055875	0.400934561055	1.46466637186	0.128338398732	1.4098676144	74.118321131	37.4409257659	13.2565797888
73	3.73074515724	-6.08028764121	3.03386013834	9.95558262616	-5.04972998199	2.54771947341	-0.0867546638971	-2.94931845456	-1.22062358265	0.494071808513	0.0747718201039	0.930239004178	1.39388868758	1.7541180802	-0.141832825902	1.03430717527	0.0517228573556	0.127902413646	1.6650540898	0.364812429797	1.94796191634	73.1982267826	34.8768510384	30.9792449165
74	9.93524847346	0.0385017207403	-1.35099523099	9.78703053494	-3.51643451432	9.83124743303	-0.00382578877398	0.92649194513	-1.56054496969	1.39425151063	0.257509380333	0.446807134867	-0.211627830135	0.293146873012	-0.251375310074	0.731737601157	-0.117228737758	0.237794395801	0.985887907607	0.0761489139387	1.14092568553	63.6374252106	37.8488403448	22.9956395556
75	5.42381415991	5.33321390771	-0.911544921927	5.48122435226	-0.42509728451	8.25306998525	0.358328131301	-2.11394789236	-1.52527884496	-1.22622463267	-0.795687022712	-1.87649645598	-1.87475551586	1.13043741358	0.634158921641	1.1511716833	-0.0835322373223	0.300764408397	0.927956291888	0.118271565923	1.15181156404	60.3777843533	48.8826420854	16.1401495532
76	1.77994222904	0.0173168039498	1.7322852742	1.20204406729	0.68074993987	1.98901655315	0.266559215175	0.159608610832	0.209443748491	-0.738006199548	0.624550603297	-0.270750820716	-1.08027787975	1.58098754353	-0.772506211326	1.08852970956	-0.328739351041	0.290997737958	0.887850756257	0.14930984198	0.890770626369	66.2412359501	46.0807410014	19.2860265441

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid -1 through 33 )	A	A	-1 - 33	1 - 35
2	2	chain 'A' and (resid 34 through 51 )	A	A	34 - 51	36 - 53
3	3	chain 'A' and (resid 52 through 77 )	A	A	52 - 77	54 - 79
4	4	chain 'A' and (resid 78 through 131 )	A	A	78 - 131	80 - 133
5	5	chain 'A' and (resid 132 through 148 )	A	A	132 - 148	134 - 150
6	6	chain 'A' and (resid 149 through 169 )	A	A	149 - 169	151 - 171
7	7	chain 'B' and (resid 1 through 33 )	B	E	1 - 33	1 - 33
8	8	chain 'B' and (resid 34 through 132 )	B	E	34 - 132	34 - 132
9	9	chain 'B' and (resid 133 through 158 )	B	E	133 - 158	133 - 158
10	10	chain 'B' and (resid 159 through 172 )	B	E	159 - 172	159 - 172
11	11	chain 'C' and (resid 1 through 18 )	C	G	1 - 18	1 - 18
12	12	chain 'C' and (resid 19 through 33 )	C	G	19 - 33	19 - 33
13	13	chain 'C' and (resid 34 through 90 )	C	G	34 - 90	34 - 90
14	14	chain 'C' and (resid 91 through 169 )	C	G	91 - 169	91 - 169
15	15	chain 'D' and (resid 1 through 18 )	D	L	1 - 18	1 - 18
16	16	chain 'D' and (resid 19 through 33 )	D	L	19 - 33	19 - 33
17	17	chain 'D' and (resid 34 through 42 )	D	L	34 - 42	34 - 42
18	18	chain 'D' and (resid 43 through 57 )	D	L	43 - 57	43 - 57
19	19	chain 'D' and (resid 58 through 77 )	D	L	58 - 77	58 - 77
20	20	chain 'D' and (resid 78 through 101 )	D	L	78 - 101	78 - 101
21	21	chain 'D' and (resid 102 through 113 )	D	L	102 - 113	102 - 113
22	22	chain 'D' and (resid 114 through 121 )	D	L	114 - 121	114 - 121
23	23	chain 'D' and (resid 122 through 132 )	D	L	122 - 132	122 - 132
24	24	chain 'D' and (resid 133 through 147 )	D	L	133 - 147	133 - 147
25	25	chain 'D' and (resid 148 through 170 )	D	L	148 - 170	148 - 170
26	26	chain 'E' and (resid 1 through 15 )	E	P	1 - 15	1 - 15
27	27	chain 'E' and (resid 16 through 33 )	E	P	16 - 33	16 - 33
28	28	chain 'E' and (resid 34 through 51 )	E	P	34 - 51	34 - 51
29	29	chain 'E' and (resid 52 through 81 )	E	P	52 - 81	52 - 81
30	30	chain 'E' and (resid 82 through 147 )	E	P	82 - 147	82 - 147
31	31	chain 'E' and (resid 148 through 158 )	E	P	148 - 158	148 - 158
32	32	chain 'E' and (resid 159 through 169 )	E	P	159 - 169	159 - 169
33	33	chain 'F' and (resid 2 through 18 )	F	U	2 - 18	1 - 17
34	34	chain 'F' and (resid 19 through 33 )	F	U	19 - 33	18 - 32
35	35	chain 'F' and (resid 34 through 68 )	F	U	34 - 68	33 - 67
36	36	chain 'F' and (resid 69 through 81 )	F	U	69 - 81	68 - 80
37	37	chain 'F' and (resid 82 through 113 )	F	U	82 - 113	81 - 112
38	38	chain 'F' and (resid 114 through 147 )	F	U	114 - 147	113 - 146
39	39	chain 'F' and (resid 148 through 158 )	F	U	148 - 158	147 - 157
40	40	chain 'F' and (resid 159 through 169 )	F	U	159 - 169	158 - 168
41	41	chain 'G' and (resid 9 through 46 )	G	X	9 - 46	1 - 38
42	42	chain 'G' and (resid 47 through 76 )	G	X	47 - 76	39 - 68
43	43	chain 'G' and (resid 77 through 111 )	G	X	77 - 111	69 - 103
44	44	chain 'H' and (resid 8 through 18 )	H	AA	8 - 18	1 - 11
45	45	chain 'H' and (resid 19 through 36 )	H	AA	19 - 36	12 - 29
46	46	chain 'H' and (resid 37 through 46 )	H	AA	37 - 46	30 - 39
47	47	chain 'H' and (resid 47 through 76 )	H	AA	47 - 76	40 - 69
48	48	chain 'H' and (resid 77 through 86 )	H	AA	77 - 86	70 - 79
49	49	chain 'H' and (resid 87 through 91 )	H	AA	87 - 91	80 - 84
50	50	chain 'H' and (resid 92 through 111 )	H	AA	92 - 111	85 - 104
51	51	chain 'I' and (resid 8 through 25 )	I	I	8 - 25	1 - 18
52	52	chain 'I' and (resid 26 through 46 )	I	I	26 - 46	19 - 39
53	53	chain 'I' and (resid 47 through 57 )	I	I	47 - 57	40 - 50
54	54	chain 'I' and (resid 58 through 81 )	I	I	58 - 81	51 - 74
55	55	chain 'I' and (resid 82 through 89 )	I	I	82 - 89	75 - 82
56	56	chain 'I' and (resid 90 through 100 )	I	I	90 - 100	83 - 93
57	57	chain 'I' and (resid 101 through 111 )	I	I	101 - 111	94 - 104
58	58	chain 'J' and (resid 9 through 24 )	J	J	9 - 24	1 - 16
59	59	chain 'J' and (resid 25 through 35 )	J	J	25 - 35	17 - 27
60	60	chain 'J' and (resid 36 through 56 )	J	J	36 - 56	28 - 48
61	61	chain 'J' and (resid 57 through 66 )	J	J	57 - 66	49 - 58
62	62	chain 'J' and (resid 67 through 81 )	J	J	67 - 81	59 - 73
63	63	chain 'J' and (resid 82 through 111 )	J	J	82 - 111	74 - 103
64	64	chain 'K' and (resid 8 through 18 )	K	K	8 - 18	1 - 11
65	65	chain 'K' and (resid 19 through 36 )	K	K	19 - 36	12 - 29
66	66	chain 'K' and (resid 37 through 46 )	K	K	37 - 46	30 - 39
67	67	chain 'K' and (resid 47 through 66 )	K	K	47 - 66	40 - 59
68	68	chain 'K' and (resid 67 through 76 )	K	K	67 - 76	60 - 69
69	69	chain 'K' and (resid 77 through 111 )	K	K	77 - 111	70 - 104
70	70	chain 'L' and (resid 8 through 18 )	L	L	8 - 18	1 - 11
71	71	chain 'L' and (resid 19 through 36 )	L	L	19 - 36	12 - 29
72	72	chain 'L' and (resid 37 through 57 )	L	L	37 - 57	30 - 50
73	73	chain 'L' and (resid 58 through 66 )	L	L	58 - 66	51 - 59
74	74	chain 'L' and (resid 67 through 81 )	L	L	67 - 81	60 - 74
75	75	chain 'L' and (resid 82 through 89 )	L	L	82 - 89	75 - 82
76	76	chain 'L' and (resid 90 through 111 )	L	L	90 - 111	83 - 104

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