PDB-6z3k: Structure of protective antibody 38-1-10A Fab

Basic information

• Entry: Database: PDB / ID: 6z3k
• Title: Structure of protective antibody 38-1-10A Fab

Components

• Heavy chain
• Light Chain

• Keywords: IMMUNE SYSTEM / EV71 / antibody 38-3-11A / antibody 38-1-10A / EV71-Fab complex
• Biological species: Homo sapiens (human)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.7 Å
• Authors: Zhou, D. / Fry, E.E. / Ren, J. / Stuart, D.I.

Funding support

United Kingdom, 2items

Organization	Grant number	Country
Medical Research Council (MRC, United Kingdom)	MR/N00065X/1	United Kingdom
Wellcome Trust	101122/Z/13/Z	United Kingdom

• Citation: Journal: Nat Commun / Year: 2020; Title: Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71.; Authors: Kuan-Ying A Huang / Daming Zhou / Elizabeth E Fry / Abhay Kotecha / Peng-Nien Huang / Shu-Li Yang / Kuo-Chien Tsao / Yhu-Chering Huang / Tzou-Yien Lin / Jingshan Ren / David I Stuart / ; Abstract: Enterovirus 71 (EV71)-neutralizing antibodies correlate with protection and have potential as therapeutic agents. We isolate and characterize a panel of plasmablast-derived monoclonal antibodies from an infected child whose antibody response focuses on the plateau epitope near the icosahedral 3-fold axes. Eight of a total of 19 antibodies target this epitope and three of these potently neutralize the virus. Representative neutralizing antibodies 38-1-10A and 38-3-11A both confer effective protection against lethal EV71 challenge in hSCARB2-transgenic mice. The cryo-electron microscopy structures of the EV71 virion in complex with Fab fragments of these potent and protective antibodies reveal the details of a conserved epitope formed by residues in the BC and HI loops of VP2 and the BC and HI loops of VP3 spanning the region around the 3-fold axis. Remarkably, the two antibodies interact with the epitope in quite distinct ways. These plateau-binding antibodies provide templates for promising candidate therapeutics.

History

Deposition	May 20, 2020	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Sep 2, 2020	Provider: repository / Type: Initial release
Revision 1.1	Oct 28, 2020	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2	Jan 24, 2024	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Assembly

Deposited unit

H: Heavy chain

L: Light Chain

A: Heavy chain

B: Light Chain

C: Heavy chain

D: Light Chain

E: Heavy chain

F: Light Chain

G: Heavy chain

I: Light Chain

J: Heavy chain

K: Light Chain

M: Heavy chain

N: Light Chain

O: Heavy chain

P: Light Chain

Q: Heavy chain

R: Light Chain

hetero molecules

Summary:

• 441 kDa, 18 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	440,939	23
Polymers	440,629	18
Non-polymers	310	5
Water	10,629	590

1

H: Heavy chain

L: Light Chain

hetero molecules

Summary:

• defined by author
• Evidence: homology
• 49 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	49,021	3
Polymers	48,959	2
Non-polymers	62	1
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	3740 Å2
ΔGint	-25 kcal/mol
Surface area	19360 Å2

2

A: Heavy chain

B: Light Chain

Summary:

• defined by author
• 49 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	48,959	2
Polymers	48,959	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	3580 Å2
ΔGint	-25 kcal/mol
Surface area	18890 Å2

3

C: Heavy chain

D: Light Chain

Summary:

• defined by author
• 49 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	48,959	2
Polymers	48,959	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	3720 Å2
ΔGint	-27 kcal/mol
Surface area	19200 Å2

4

E: Heavy chain

F: Light Chain

Summary:

• defined by author
• 49 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	48,959	2
Polymers	48,959	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	3680 Å2
ΔGint	-24 kcal/mol
Surface area	19030 Å2

5

J: Heavy chain

K: Light Chain

Summary:

• defined by author
• 49 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	48,959	2
Polymers	48,959	2
Non-polymers	0	0
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	3740 Å2
ΔGint	-24 kcal/mol
Surface area	19230 Å2

6

M: Heavy chain

N: Light Chain

hetero molecules

Summary:

• defined by author
• 49 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	49,021	3
Polymers	48,959	2
Non-polymers	62	1
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	3890 Å2
ΔGint	-25 kcal/mol
Surface area	19030 Å2

7

O: Heavy chain

P: Light Chain

hetero molecules

Summary:

• defined by author
• 49 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	49,021	3
Polymers	48,959	2
Non-polymers	62	1
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	3710 Å2
ΔGint	-26 kcal/mol
Surface area	18960 Å2

8

Q: Heavy chain

R: Light Chain

hetero molecules

Summary:

• defined by author
• 49 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	49,021	3
Polymers	48,959	2
Non-polymers	62	1
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	3770 Å2
ΔGint	-23 kcal/mol
Surface area	18920 Å2

9

G: Heavy chain

I: Light Chain

hetero molecules

Summary:

• defined by software
• 49 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	49,021	3
Polymers	48,959	2
Non-polymers	62	1
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	3710 Å2
ΔGint	-25 kcal/mol
Surface area	19250 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	292.350, 87.130, 177.030
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	18
Space group name H-M	P21212
Space group name Hall	P22ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x+1/2,y+1/2,-z #4: -x,-y,z

Components on special symmetry positions

ID	Model	Components
1	1	F-323- HOH

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
3	1
4	1
5	1
6	1
7	1
8	1
9	1
1	2
2	2
3	2
4	2
5	2
6	2
7	2
8	2
9	2
1	3
2	3
3	3
4	3
5	3
1	4
2	4
3	4
4	4
5	4
1	5
2	5
3	5
4	5
1	6
2	6
3	6
4	6

NCS ensembles :

ID
1
2
3
4
5
6

Components

#1: Antibody

H A C E G J M O Q
Heavy chain

Details:

Mass: 25188.305 Da / Num. of mol.: 9
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

#2: Antibody

L B D F I K N P R
Light Chain /

Details:

Mass: 23770.490 Da / Num. of mol.: 9
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

#3: Chemical

H-301 I-301 N-301 O-301 Q-301
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol

Details:

Mass: 62.068 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₂H₆O₂ / Feature type: SUBJECT OF INVESTIGATION

#4: Water

ChemComp-HOH / water / Water

Details:

Mass: 18.015 Da / Num. of mol.: 590 / Source method: isolated from a natural source / Formula: H₂O

• Has ligand of interest: Y

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.56 ų/Da / Density % sol: 51.9 %
• Crystal grow: Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 4 ; Details: 20% (v/v) PEG 6000, 0.1 M citrate, pH 4.0, 1 M lithium chloride

Data collection

• Diffraction: Mean temperature: 100 K / Serial crystal experiment: N
• Diffraction source: Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763 Å
• Detector: Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: May 17, 2018
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.9763 Å / Relative weight: 1
• Reflection: Resolution: 2.7→67.5 Å / Num. obs: 124934 / % possible obs: 100 % / Redundancy: 53.8 % / B_iso Wilson estimate: 53.53 Ų / CC_1/2: 1 / R_merge(I) obs: 0.37 / Net I/σ(I): 16.4
• Reflection shell: Resolution: 2.7→2.75 Å / Mean I/σ(I) obs: 1.1 / Num. unique obs: 6090 / CC_1/2: 0.6

Processing

Software

Name	Version	Classification
PHENIX	dev_3699	refinement
PHENIX	dev_3699	refinement
xia2		data reduction
xia2		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: 3DGG

3dgg

Resolution: 2.7→65.52 Å / SU ML: 0.3588 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.3206
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	Rfactor	Num. reflection	% reflection
Rfree	0.2343	6148	4.93 %
Rwork	0.1883	118650	-
obs	0.1905	124798	99.91 %

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
• Displacement parameters: B_iso mean: 65.55 Ų

Refinement step

Cycle: LAST / Resolution: 2.7→65.52 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	29184	0	16	590	29790

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	29879
X-RAY DIFFRACTION	f_angle_d	0.7453	40685
X-RAY DIFFRACTION	f_chiral_restr	0.0477	4652
X-RAY DIFFRACTION	f_plane_restr	0.0051	5142
X-RAY DIFFRACTION	f_dihedral_angle_d	19.402	10665

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
2.7-2.73	0.3992	193	0.3535	3870	X-RAY DIFFRACTION	98.86
2.73-2.76	0.3786	214	0.3206	3884	X-RAY DIFFRACTION	99.95
2.76-2.8	0.3484	201	0.2961	3929	X-RAY DIFFRACTION	100
2.8-2.83	0.3554	198	0.2759	3894	X-RAY DIFFRACTION	100
2.83-2.87	0.3243	212	0.2596	3920	X-RAY DIFFRACTION	100
2.87-2.91	0.3175	195	0.2547	3951	X-RAY DIFFRACTION	100
2.91-2.95	0.3117	226	0.2487	3860	X-RAY DIFFRACTION	100
2.95-2.99	0.3112	223	0.2471	3926	X-RAY DIFFRACTION	100
2.99-3.04	0.2964	212	0.2425	3881	X-RAY DIFFRACTION	100
3.04-3.09	0.2784	223	0.2377	3912	X-RAY DIFFRACTION	100
3.09-3.14	0.2988	214	0.243	3904	X-RAY DIFFRACTION	100
3.14-3.2	0.3072	177	0.2416	3924	X-RAY DIFFRACTION	100
3.2-3.26	0.2691	211	0.2277	3917	X-RAY DIFFRACTION	99.98
3.26-3.33	0.3005	204	0.2232	3941	X-RAY DIFFRACTION	99.98
3.33-3.4	0.2808	194	0.2166	3954	X-RAY DIFFRACTION	100
3.4-3.48	0.2526	188	0.1985	3980	X-RAY DIFFRACTION	100
3.48-3.57	0.2247	200	0.1929	3906	X-RAY DIFFRACTION	100
3.57-3.66	0.2464	203	0.1932	3950	X-RAY DIFFRACTION	100
3.66-3.77	0.2366	214	0.1895	3952	X-RAY DIFFRACTION	100
3.77-3.89	0.2235	206	0.1765	3925	X-RAY DIFFRACTION	99.98
3.89-4.03	0.201	211	0.1685	3962	X-RAY DIFFRACTION	99.93
4.03-4.19	0.1809	211	0.1528	3960	X-RAY DIFFRACTION	99.98
4.19-4.39	0.1726	201	0.1409	3968	X-RAY DIFFRACTION	99.93
4.39-4.62	0.1702	208	0.1331	3973	X-RAY DIFFRACTION	100
4.62-4.91	0.1606	177	0.1297	4006	X-RAY DIFFRACTION	100
4.91-5.28	0.1985	199	0.1398	4001	X-RAY DIFFRACTION	99.98
5.28-5.82	0.2079	228	0.1589	4022	X-RAY DIFFRACTION	100
5.82-6.66	0.2256	197	0.1755	4040	X-RAY DIFFRACTION	99.95
6.66-8.38	0.2168	214	0.1808	4072	X-RAY DIFFRACTION	100
8.39-65.52	0.2024	194	0.1758	4266	X-RAY DIFFRACTION	98.8

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	6.60648217625	2.20295469407	-0.157859978019	3.9611129973	-1.58194574694	2.01760105534	-0.191561926215	0.977982636403	-0.642323542032	-1.02145037047	0.18475036034	-1.16231910667	-0.125303242145	0.00440333267085	0.114867893096	0.586324150273	0.117924372343	0.116976894513	0.59929237181	0.0222356443447	0.268103018395	-59.4862644209	26.0597620776	-34.6607245053
2	4.62009250008	-0.713434248687	-0.267862561141	1.74027279434	-0.959139202737	1.94638964668	-0.0186643477968	0.327170738998	0.0168284854208	-0.450477062988	-0.0484663972479	-0.0691758507778	-0.130373593994	-0.0747822335084	0.0118921640102	0.383646924125	0.0848930647673	0.0327234783109	0.402239695943	0.0334515376543	0.226351928784	-66.3849920625	27.4032097314	-28.9633561648
3	6.55134789276	0.933419577761	-2.74629894874	7.39648860174	0.991764614103	4.78242029667	0.238604142576	0.976679881133	0.017876763578	-0.398851074998	-0.0596202534215	-0.318110641301	0.201293963898	-0.463683950418	-0.0965265072439	0.364390668502	0.0620846307134	0.0570042773659	0.500224560008	0.029919520092	0.328897914154	-41.4678749501	7.96809981809	-31.963497565
4	7.04858084619	-4.80930268824	-0.379093883262	8.32916007957	0.145911838536	2.96618277824	-0.140831592869	-0.533548091552	0.153296545195	0.505894119907	0.291540056698	0.111162716471	0.00661835966497	-0.190258242452	-0.0770849681981	0.383176289324	-0.0367079092429	-0.0508018602921	0.400435398716	0.0490770521717	0.191170398442	-64.271864713	17.4943526975	-4.75457892583
5	2.94306375506	-1.95617796178	0.893103355023	3.78024759027	-1.77524853858	2.40130227655	-0.0224729888836	0.113776932304	-0.223160341087	0.201923591871	0.0667309673919	0.316328909543	0.151142222397	-0.319738514682	-0.0405789003914	0.345679217028	-0.0483338023222	0.0199488146397	0.422417029037	0.0514300717204	0.289281008818	-70.1355568447	16.5465195904	-12.7572892841
6	2.03322689154	-1.04087289665	-0.226053804588	0.706485772881	0.460136334961	0.619248923058	0.19388201543	-0.204274966656	-0.26157716247	-0.360652455703	-0.0983312919303	-0.143288070788	0.133711037208	0.360017654478	-0.121332890199	0.365567323395	0.0687116382605	0.0111969738651	0.382896091443	0.0825604215944	0.490433968814	-45.5618563486	3.88680512263	-12.0554095
7	7.15430409812	2.98384365181	-4.87098861869	3.7086589637	-3.92905626549	7.11965736808	0.388819576185	-0.0191351196494	-0.0684640140775	0.115482643223	-0.3465459644	-0.223455455726	-0.393971634219	0.55007083658	0.0412016809137	0.359201011167	0.0544854648128	0.019893289443	0.362046478558	-0.0410452752839	0.483284568284	-32.5809289883	8.55332570354	-21.1972287713
8	6.96516415349	4.22561356086	-5.11736567728	3.14277680547	-1.72412873718	7.05936554466	0.838985587699	-0.131804346359	-0.103582391907	0.299590517683	-0.395460058057	-0.725127582725	-0.353375081944	1.21699089763	-0.345458723343	0.617635147144	-0.0825137438698	0.0471689717729	0.633701253768	-0.155329002676	0.629897878223	-28.0288658644	13.6862164352	-16.5262739578
9	7.06116836889	2.2763147553	-4.43546705453	2.60722847901	-1.09302097696	5.19803676121	0.061006491075	-0.825971586793	-0.315648294295	0.0251776537571	-0.279304038433	-0.689374611019	0.0622341483411	0.938784498528	0.149387946372	0.329296193558	0.0705000669165	0.0278286455164	0.463081795171	0.0634705764135	0.533388449741	-31.4748971315	5.94618778065	-18.4781434249
10	1.98157929924	-2.69278001293	-1.04505288442	3.64711971928	0.893278579783	4.13401662597	0.278108394974	-1.13172065596	-0.253486819698	1.70319535656	-0.691451935438	-0.0316393783675	0.0173363053607	0.0375859241199	0.169731786612	0.569827575088	-0.253632499678	-0.164503088265	0.815046719113	0.176626386131	0.49579090772	-0.335856663564	-20.045457031	61.9579741769
11	1.83470231028	-1.9324783097	1.02483678475	4.48104318143	1.94150320268	4.48774039823	0.279706789014	-0.606993801204	-0.441597789501	0.947547254378	-0.495752597712	-0.556421409718	0.438345230333	1.64341381525	0.128663001915	0.736173931822	-0.00171137374103	-0.239644328024	1.02305768085	0.430246655501	0.663336930082	8.07384910319	-28.2005127979	60.7561353151
12	3.638384917	1.27747848571	-1.59677787771	7.09884710937	-0.555887113643	2.62258805858	0.597064810821	-1.10615358886	-0.461975263212	0.370641601763	-1.48934283709	-0.497095698823	0.329663725264	1.61553958898	-0.0353608730939	0.595769587215	0.24353308276	-0.108105391123	0.721201360072	0.46957687683	0.633397071663	5.79986368477	-26.6411522608	54.1120236627
13	5.42543755158	0.736312630179	1.69813423266	2.96171359286	1.18346375978	6.27510119671	0.0978276706089	-0.00839124334984	0.0292333819205	0.105300586506	-0.218526512581	0.398211803629	-0.315854143116	-0.50242949099	0.145770323831	0.399827614112	-0.0800036634913	-0.0205122635409	0.359706029927	-0.0270371043693	0.402505836344	-16.9172296792	-9.45142724562	48.5741097828
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21	6.28963287389	-1.63282359903	-0.579806092619	6.83124390994	0.645564067675	5.89442696977	-0.3411769635	-0.0841616500374	-1.29474218227	0.242164065066	0.103021395174	-0.727628280912	0.644278223052	1.43614101355	0.22307922761	0.555279942655	-0.0370162890261	0.113441414655	0.957923603631	0.0566878446519	0.851945157233	-85.3614168762	41.3580034335	-106.901705463
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23	4.13295330805	-1.10313143159	-0.596110324141	3.32776430726	1.72344286267	5.87902284811	-0.170063880165	0.0181366876304	-0.34697465407	-0.190523194172	-0.0456481783995	-0.640508057103	-0.335468153312	1.48649940185	0.225750306517	0.644688941014	-0.129729784928	0.171724897015	1.00561329196	0.25655412355	0.614626365258	-89.5179214755	45.1028650689	-104.445208339
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25	3.13994082276	1.06105909701	4.41997580038	3.36889041477	0.680431683872	7.90977357579	-0.0829788862491	0.0241264824806	-0.539111612602	0.143034051887	0.155659042562	0.703445169307	0.0122596243728	-0.446690232721	-0.0137405382246	0.712409944134	0.0142802575891	0.0329213245607	0.743546271457	0.0459593057324	0.576331463718	-126.280996195	56.3825142515	-108.2814816
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28	7.60251775935	-3.24017540932	4.06884446647	7.85870074758	-1.66498571514	7.73661300211	-0.427212922315	-0.625447353204	-0.459795941974	-0.677799859919	0.596582300293	1.0048839866	1.07358344782	-1.29549053704	-0.210611387116	0.723604054426	-0.238036448327	0.0328947524492	0.721173626117	0.0593205973302	0.861493352167	-132.43896889	53.2434015818	-113.197096276
29	7.97591786721	0.188677917832	1.85662251687	1.53653241083	-0.160144512767	3.06555331397	-0.399991181317	-1.19279314821	-0.427716745828	-0.328270310807	0.343512713603	0.38287078748	0.322071655385	-1.52324675526	0.104512560029	0.646723437053	0.0635717782281	0.12447350411	1.38035292327	0.0263840674796	1.00661068491	-136.638057171	56.1472987571	-105.752184755
30	7.47866104822	0.538136697678	2.27176291044	1.98617094832	-0.478925693146	5.08647975247	0.272928358439	-1.54939679516	-0.181325049659	0.187841444712	0.0302324814019	0.925223349839	-0.257135634312	-1.20919988426	0.219048099511	0.877610444073	0.0493400497381	0.0675717499631	1.06589240043	0.0453679821001	0.931215846773	-129.693842088	59.7020275776	-98.4824167069
31	6.12520214104	-2.06254408785	-0.453152968661	5.12257245634	-0.108987676222	3.52259392158	-0.680200619532	-0.216018640114	-0.141379201933	1.93786966222	-0.466890780407	0.0807586114963	-0.942124132532	0.563641969869	0.692554628966	1.42072406216	0.185879096045	-0.273229881187	0.700654823164	0.0807188433279	0.589522343563	-98.7861665704	13.2804855769	39.7972713494
32	2.21304095509	0.401976809463	-1.12090944144	0.828099321916	0.087841323403	1.68388675907	-0.448323394082	-0.459056366948	-0.236001662726	1.14253526027	-0.438364773809	-1.44566506582	-0.387889807962	1.4875823817	0.772617356563	1.39579269752	0.0401725487653	-0.639651227361	1.18637482215	0.351678705231	1.370865649	-85.3768217219	10.5054583327	38.9945661562
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34	3.4718590802	-1.27676646636	-0.453245633667	0.80502132889	-1.16194187269	5.50663684554	0.176478243673	-0.673019768609	0.811098750572	0.667859895482	0.419405716747	-1.27717343859	-0.570140520778	1.78114083362	0.438852369855	1.92057059474	-0.303399812627	-1.09380201278	1.04868298979	-0.0558418754609	1.44412874769	-86.7435959161	23.5485201778	37.4665945815
35	3.93995061008	-0.0689346407162	-0.966444790536	2.36129612894	0.00441577639375	2.74376533305	-0.499986794902	-0.827249518281	-0.0876875626318	1.74544569159	-0.109605074658	-0.614539427296	-0.778509829514	0.69084477285	0.386401930702	1.19893468997	0.0952638835252	-0.616038779851	0.753728616811	0.151818773243	0.863779491698	-95.7990553895	14.8657142702	35.0058980912
36	4.45653705089	-1.43830395355	0.10729298917	4.18686160644	-1.14022015822	2.61524261671	-0.752735024629	-0.522308110241	-0.251658841494	1.0130723422	0.535005447442	0.608354950185	0.0278123445181	-0.0876290717153	0.221449608184	0.646730147795	0.17437205637	0.195169483437	0.528387999999	0.0348576618698	0.448265122966	-117.496649272	0.263642025541	29.1056145846
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38	4.7312580473	1.74355057951	0.381546472628	4.86942476342	-0.645736945797	3.78319911857	-0.302510156282	0.718480087057	1.16654675916	-0.227227225098	-0.327156719223	-0.581752319257	-0.383636932716	0.487915103064	0.509773120705	0.383252758411	0.0629499720391	-0.0968763935186	0.64321626539	0.354769824166	0.859358378371	-93.6380392921	15.9912480935	9.00634859919
39	2.24046545154	0.596377337317	-1.31946786211	0.192824442087	-0.0978054058299	1.69689739325	0.0996708625478	-0.0964192414126	0.375712457979	0.541123914245	-0.226718149407	-0.381718616124	-0.337882202256	0.820760666507	0.140821594696	0.582570089112	-0.00830299456601	-0.244868742783	0.866026828499	0.339504250092	1.05296755441	-84.8259247929	17.4512953289	16.839615471
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42	2.3426898766	-0.0211940147354	-1.50035829168	0.790296914282	0.256473773195	1.03053795459	0.655142986479	0.164254247272	0.504155593723	0.213848374825	-0.335024317218	-0.910988233211	0.00987456182698	1.70204770439	0.0234501137841	0.82108586249	-0.144662344946	-0.414092361795	1.08415047461	0.187690033418	0.950309019931	-85.4663080746	22.592741079	22.4329004918
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44	7.11342306492	-3.42009451946	-1.59088957219	4.24278334685	1.23676706793	6.9745627119	-0.459019926017	-0.228414545924	-0.301167478507	0.130946933991	0.177293350684	1.01576053931	-0.0501392937507	-0.217741319412	0.0730480129903	0.476536696837	-0.0121904881665	0.0449283786733	0.46367665577	0.117038368776	0.638363626064	-125.858321051	2.6556790794	20.7534030176
45	2.0580321357	-0.222554390856	-0.249058028538	5.66861391411	0.639540534393	6.51620382258	-0.749088757459	0.637984724917	0.339585465145	-0.806875350144	0.581262026153	1.87255909295	-0.914009770627	-0.556348747762	-0.0168757865007	0.708456627873	0.0393671698964	-0.118901326669	0.594750721467	0.1140735292	0.968313253249	-130.153676984	9.57619752463	18.5043313416
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57	4.7579092141	-0.315723921091	0.410652323176	1.26291728918	0.693025028452	1.68664886238	-0.374682182868	-1.12357629399	0.135810626162	0.0622161547889	0.0960042501652	0.296609519091	-0.00911441430333	-0.71574836288	0.167326414523	0.366582346805	0.0403325923798	-0.0596255422827	0.930775225133	0.111930417272	0.512606391766	-125.719145999	26.6578462328	1.07838627188
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71	5.24828231125	1.79402358791	-0.321846446845	4.06034378619	0.0946131259962	3.91266544971	-0.0153622276963	-0.699107263822	0.735951085536	0.0874800820997	0.0901829370196	0.712821207887	0.206503314024	-0.840075806493	0.176350314553	0.488868600898	-0.0543073208666	0.024388266222	0.820239051616	0.115264273159	0.656714226334	-134.889684534	33.2691447159	-84.4349097912
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73	9.1537931544	0.506862606718	-0.376332792919	1.73565835957	0.428907852528	1.49132576703	-0.202396850927	0.859009517174	0.379993726762	-1.19724329093	0.282374783739	0.57444075184	-0.701911307291	-0.739123309404	-0.187272855297	0.835074304701	-0.00383652143047	-0.137281789492	0.809957444776	0.248756935223	0.626856661533	-133.236726916	40.8857500787	-93.5547012243
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88	1.84563643279	1.03446590507	-1.69823075886	1.85566859848	-0.0814295603	2.15529822819	-0.30831783574	1.4085177495	0.656330962179	-0.324699321046	-0.440026993024	-1.25041138814	0.109986163417	1.08561596059	0.369019620617	0.561449392709	-0.117121224078	0.128706757911	0.871514589213	0.273116009739	1.0325287525	-18.4303120349	21.5564250171	-1.66087963112
89	4.2922955398	0.524259296334	-2.30236432877	1.48527370747	0.188014506623	1.39331695764	-0.276753900897	1.56875678191	1.28552225099	0.00924540195367	-0.19832920641	-1.24958869225	-0.537585099363	0.708340074105	0.346172027582	0.497601817561	-0.17738413713	0.0303571948236	0.742226228152	0.26334485557	1.08613542456	-25.9456792422	27.8300569206	-2.54583596962
90	3.03047602894	-3.70562439407	-0.129540998901	5.04204677213	0.748046399258	1.85974152498	-0.406823840542	-0.765627069987	0.212890218198	1.62882033035	0.153710474373	-0.40777196493	0.160186868172	0.115209683103	0.300696784982	0.738880563304	-0.144910664553	-0.0323655157766	0.516559053835	0.0356489562202	0.448383935248	-58.7869135541	33.1352165113	-54.3272472494
91	4.53735354212	0.607065336745	0.169235301746	2.420012523	0.0212459427797	2.05821170518	0.0996090566605	-0.39413833386	-0.0730089298599	0.457885057523	-0.121811180694	0.0427382525074	0.332718728853	-0.0255167497443	0.0602389272494	0.519456153216	-0.0539665266498	0.0101244618508	0.395426856811	0.0395698597183	0.226143089129	-69.4696510523	31.671122645	-60.7219716776
92	5.55201187517	0.274402446229	-0.112351538052	2.03803490271	-0.791587193536	1.62028403226	0.0714754064812	-0.454802555032	-0.418606171921	0.756758231972	-0.247315161798	0.0198515950404	0.0826754421557	-0.0769028747048	0.11201818744	0.555536231156	-0.0712023724371	-0.00515868145319	0.395849412846	0.0280279856729	0.240819741446	-64.6393570216	28.8533462825	-57.6874304621
93	2.90319844529	-2.1980989674	2.3910676044	3.64582934443	-1.09454556121	5.4290629844	-0.0609584895259	0.0866408560598	1.19470374922	0.726227569878	-0.374100874391	0.313428567107	-0.0325084872697	0.0929285418537	0.199761411122	0.442808364746	-0.0447866218968	0.0198387554091	0.325632883806	-0.0484914217671	0.2545787357	-72.0669501864	39.6170432589	-65.3425699707
94	2.42411711111	0.284403509469	-0.341589388371	3.15474611874	1.69960856357	1.0283179392	-0.388415962674	-0.190050288859	-0.502404820749	0.825132162401	0.474376468738	0.422803653186	-0.0778797840046	0.163130678176	-0.252173062181	0.717517143198	-0.0119240758063	-0.172071214878	0.503063192282	0.146448103003	0.34367720752	-45.7612909972	31.6506558936	-56.1308197205
95	7.10213555352	-2.71067964434	2.69687285351	6.48655131898	0.206391016394	3.8325906727	0.0375869070737	-0.11955830214	0.303801029947	1.23161298052	-0.17110878426	-0.83086072272	-0.386936940897	-0.511619844042	0.16903825343	0.655862228873	-0.0218668102688	-0.05810551582	0.464857974823	-0.0563180576382	0.360479928065	-36.0661417116	51.8228304531	-58.1865881565
96	4.45831006665	0.953272782974	1.05827999294	6.43467157637	-1.03683757166	3.75687898072	0.397433785027	-1.1023641963	-0.0958802569467	1.19033354949	-0.0989003182465	1.0515926748	-0.187450135058	-0.058598320404	-0.134514274643	0.663963626785	-0.162161265581	-0.0143145386128	0.654365628028	0.0194503629125	0.32191051058	-46.4005095445	46.2738394645	-55.8631779961
97	3.8033718054	0.548979405438	0.402143603019	5.44079163327	-0.0636040588161	4.39352387931	0.360004698396	-0.495337052807	0.0363095725782	0.584140980094	-0.283834212876	0.153501643382	-0.069612650691	0.0761968518997	-0.176967719585	0.48563754987	-0.0652670008863	0.00175419474255	0.336630392786	-0.0346514139607	0.31113249621	-42.4837888973	46.8032573554	-63.0427212519
98	3.982414046	0.623716252281	1.08913171946	7.25827784398	1.9073746234	3.67424774381	0.321694582657	-0.64390729821	0.295571816573	0.657085414129	-0.185174582102	-0.158317604677	-0.363060534269	-0.289817220134	-0.0933581875779	0.703414921488	-0.0486259561856	-0.00771916601022	0.626910107806	-0.0864502970329	0.340551751989	-41.1791223739	53.6867609839	-53.9447202547
99	5.39061720916	4.33790301127	-0.813517454892	5.07412170338	-0.289321249471	2.82233052195	-0.320236331616	0.0822399720731	-0.118834235397	-0.896670581293	0.264562270768	-0.0206074885245	-0.0188413995005	0.0557020092065	-0.0144447735941	0.459047516574	0.0494346002528	0.0596580342687	0.328668190558	-0.00978681990857	0.237705216063	-63.8876207718	41.7493260067	-83.9570334987
100	3.51822253825	2.44461234844	-1.14598328432	3.95314041169	-0.395847022103	3.34516233638	0.137571521912	0.0215906363484	0.460406688503	-0.283327166599	-0.057252395138	0.379659033804	-0.300058058126	-0.123853369088	-0.111915056086	0.364848746674	0.0536556927042	0.0103489983645	0.27945121047	0.0601886001862	0.281360981505	-71.4123065969	43.6003961785	-76.357742486
101	2.88165944382	2.03375945777	-0.335849625474	4.99243788278	-2.02058621483	0.891861371622	0.0958789053152	-0.235571455561	0.0331435420886	0.395810728318	-0.0430054430935	0.248112234176	-0.218918122725	-0.0721937960807	2.23805646656E-5	0.520727484688	0.0550611253098	0.0551490055354	0.34620618674	0.023147876521	0.238437425472	-66.6939357913	40.8418665552	-75.5286008441
102	3.76018590974	0.727875695156	1.23389528927	0.245360421739	0.569958138205	1.41496955185	-0.220243928322	-0.0398353842345	0.455729473706	0.0341533717048	-0.0748268629093	0.0269263771382	-0.472482569979	0.0737038473489	0.18968144843	0.505391161559	-0.0196322594366	-0.0142030409639	0.296259136639	0.0775070826154	0.491166787716	-45.3739723526	55.6266025705	-76.6991514436
103	7.4915527481	-1.67887770269	3.40715840917	3.24755245554	-2.23671777327	4.35033501543	0.19380339481	-0.197730966891	-0.147047136087	0.0245516847093	-0.111314000263	-0.3719115586	0.225848541493	0.176336497973	0.00402801086588	0.48236802989	-0.0938234033791	0.00205571902223	0.309029071353	-0.0214839568261	0.453000926188	-32.2642377925	51.0479181689	-67.7291961431
104	7.76549337248	-4.11423169717	3.64439991854	3.82979230887	-1.50315872033	5.13330572919	0.513646978654	0.0537258395427	-0.257645230086	-0.257775366881	-0.444633794204	-0.637214758919	0.0660618838232	0.481640780132	-0.0084526244406	0.617693385157	-0.0224173526913	0.0969616594597	0.432944506611	-0.0600009134176	0.542230994683	-27.6120035389	46.2416632169	-72.6256113339
105	8.44927734521	-2.17587551229	4.01546746653	2.63995464451	-1.93881402309	4.35068190104	0.0467935585114	0.240324253336	0.4819526514	0.226363450875	-0.189191356889	-0.434340279832	-0.021983798284	0.405458500761	0.109346414665	0.474185245676	-0.0562199640598	-0.0277562598587	0.296398708402	-0.0553626710417	0.455106523803	-31.2248850407	53.8027730782	-70.3653358591
106	5.90227041555	0.311940408034	1.21050659467	3.80561217038	0.326589997578	3.16285910722	-0.0830359321115	1.17001597921	-0.185192311959	-1.79892264841	-0.278211152381	-1.03564418904	-0.162007607328	0.437306457126	0.248186882397	0.778700187735	0.0987617809241	0.153439653908	0.66406232737	0.0747978721045	0.455578386099	-44.7031909534	57.9187537402	-117.671768137
107	4.05401677881	-0.339178219285	-1.11789456093	3.12981645703	-0.265189734901	2.29129545654	0.364168950054	0.632309306004	-0.0596832473111	-0.784387621135	-0.374901901718	0.130478898783	0.0968581343768	0.0113319341397	0.0389076031849	0.558463139252	0.113794169748	0.0392543914669	0.483767331041	-0.0428166445644	0.270418185479	-57.1485454354	58.9687945004	-116.837557766
108	3.3285536978	0.75331869211	1.02839155551	2.99758490405	-0.485365208892	2.46614691932	0.526204913925	1.15735648651	0.517744576102	-0.543813266347	-0.283972806277	-0.60578029193	-0.0313983939566	0.112244731781	0.0310828511668	0.600535504954	0.154629893952	0.10159651475	0.560825386644	0.107380996405	0.368250204701	-53.6420758225	64.7840153598	-119.163863372
109	4.3498247782	-1.49973359577	0.993791947697	4.79666255177	-0.0664539864459	2.01807506662	0.151156207209	-0.00624742527292	0.106570280003	-0.260896209401	-0.634573570293	-0.532045462021	-0.140907891432	-0.0484889572478	0.318856235802	0.430067238504	0.0312493901754	0.0831332326831	0.436076110885	0.0334775516816	0.280911501088	-49.1975116019	60.5256450444	-110.928010253
110	9.27463200038	1.42362662125	3.11825588499	6.26055788621	-0.390826552309	3.81070170842	0.607183893261	0.03726931742	-1.17403167094	-1.00247291479	-0.383854865444	0.708591255984	0.63698425173	-0.00819633378258	0.0636354024253	0.494824095335	0.0953990356698	0.00410834575203	0.522510426274	-0.108296232344	0.297137831217	-61.4977300873	51.7139866064	-113.31560616
111	1.2678561023	-1.08460118957	1.10752973226	1.85046863158	-0.016493292435	1.86912921139	-0.37812556855	0.145888798532	0.13577607974	-0.310464391894	0.177265386905	-0.217671243621	-0.303527792134	0.290475488461	0.171472603624	0.673586000529	-0.121956565875	0.199429962044	0.595193772349	0.196872714518	0.53648363678	-33.710103023	58.8271047216	-110.793852976
112	5.17091323224	0.791432592555	-1.11186488151	7.64799677868	-0.565006144732	3.26980846742	-0.250404322105	0.441330132919	-0.289111065368	-0.54686622433	-0.0299867503684	-0.620564254494	0.539153610048	-0.0777194131881	0.124357902312	0.500732110605	-0.0379250528059	0.103539528172	0.537366884631	-0.0718996602784	0.457832260506	-25.7390859297	39.0017833561	-103.837456583
113	3.96925175179	0.679456171454	-0.963358726159	6.09542214956	0.108661359475	2.97225085084	-0.206517837297	0.793950233857	-0.177118814798	-0.197118571098	0.371092256628	0.359008213421	0.409870489845	-0.0796998678153	-0.00818922769087	0.34891066169	-0.0519532173181	0.0417584100549	0.482169186778	0.0301391918736	0.363101023872	-33.8838668915	44.0269983723	-106.2161684
114	3.62483966153	0.664505914825	-0.757098826777	8.47206703947	-0.535735932092	4.24423690776	-0.0650620118536	0.778092466564	-0.582507407373	-0.767004254331	0.058486633391	-0.340409663896	0.356644497503	-0.0303748091443	0.0440003521769	0.628037326964	-0.08075556055	0.16896961976	0.629734096875	-0.117647109346	0.480848963902	-28.3941703921	36.7697489717	-109.85244606
115	3.19343832509	-3.0847355302	1.42456547692	4.6141584557	-1.85245300903	2.95124673165	0.118839053035	0.00866861597723	-0.463413904388	0.0776994780064	0.00246302657522	0.720552932446	0.00858124265765	-0.0844314670073	-0.154711861675	0.345470664483	-0.0715437595552	0.0256452344882	0.299332873837	-0.0499893023547	0.423592307306	-64.3343475762	48.2203558665	-99.6365445416
116	2.61937574048	-0.826289156823	0.85824357707	1.48759493217	-0.480251684682	1.2327359008	0.130472483877	0.197292125931	-0.278104024188	-0.0264367004558	-0.10631476944	-0.0269638510126	0.121039679561	0.142750385261	-0.0532930272054	0.409520787976	-0.0436797977099	0.0802359090868	0.356537212794	-0.0335997087184	0.268301904322	-46.8661100124	44.2270020485	-98.5842301023
117	8.11535279891	4.41279084823	0.511041433945	3.83927828225	-1.24714923477	1.63674994775	0.135840548837	-0.323806825598	0.0261429322111	0.698303784709	-0.194327100752	-0.209252323994	-0.00769266728677	0.036251673131	0.0067621104591	0.515316444581	0.0320457199154	0.0149632428697	0.363736819861	-0.0409229161401	0.360460143287	-29.0187496151	41.5890975061	-88.8544127577
118	3.30843443497	2.76174779449	-1.52789435374	2.98424436911	-0.0581696563823	2.76259206441	0.0493134567708	-0.5643710659	-0.252819096917	0.144310696165	-0.138397478614	-0.406945441138	0.021290751036	0.246950788957	0.0201778152252	0.363496030932	0.0580191594286	0.0236780047251	0.388194008921	0.0433135865341	0.469618298185	-26.7552754672	37.9465228813	-90.5834775705

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'H' and (resid 1 through 17 )
2	X-RAY DIFFRACTION	2	chain 'H' and (resid 18 through 126 )
3	X-RAY DIFFRACTION	3	chain 'H' and (resid 127 through 221 )
4	X-RAY DIFFRACTION	4	chain 'L' and (resid 1 through 25 )
5	X-RAY DIFFRACTION	5	chain 'L' and (resid 26 through 101 )
6	X-RAY DIFFRACTION	6	chain 'L' and (resid 102 through 118 )
7	X-RAY DIFFRACTION	7	chain 'L' and (resid 119 through 150 )
8	X-RAY DIFFRACTION	8	chain 'L' and (resid 151 through 163 )
9	X-RAY DIFFRACTION	9	chain 'L' and (resid 164 through 213 )
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 1 through 17 )
11	X-RAY DIFFRACTION	11	chain 'A' and (resid 18 through 84 )
12	X-RAY DIFFRACTION	12	chain 'A' and (resid 85 through 113 )
13	X-RAY DIFFRACTION	13	chain 'A' and (resid 114 through 220 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 1 through 38 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 39 through 101 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 102 through 118 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 119 through 211 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 1 through 113 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 114 through 221 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 1 through 25 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 26 through 38 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 39 through 61 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 62 through 101 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 102 through 118 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 119 through 150 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 151 through 163 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 164 through 174 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 175 through 186 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 187 through 197 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 198 through 212 )
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 1 through 17 )
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 18 through 34 )
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 35 through 53 )
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 54 through 74 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 75 through 126 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 127 through 182 )
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 183 through 221 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 1 through 25 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 26 through 38 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 39 through 75 )
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 76 through 90 )
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 91 through 101 )
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 102 through 118 )
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 119 through 150 )
45	X-RAY DIFFRACTION	45	chain 'F' and (resid 151 through 163 )
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 164 through 174 )
47	X-RAY DIFFRACTION	47	chain 'F' and (resid 175 through 212 )
48	X-RAY DIFFRACTION	48	chain 'G' and (resid 1 through 17 )
49	X-RAY DIFFRACTION	49	chain 'G' and (resid 18 through 65 )
50	X-RAY DIFFRACTION	50	chain 'G' and (resid 66 through 126 )
51	X-RAY DIFFRACTION	51	chain 'G' and (resid 127 through 182 )
52	X-RAY DIFFRACTION	52	chain 'G' and (resid 183 through 221 )
53	X-RAY DIFFRACTION	53	chain 'I' and (resid 1 through 25 )
54	X-RAY DIFFRACTION	54	chain 'I' and (resid 26 through 61 )
55	X-RAY DIFFRACTION	55	chain 'I' and (resid 62 through 75 )
56	X-RAY DIFFRACTION	56	chain 'I' and (resid 76 through 101 )
57	X-RAY DIFFRACTION	57	chain 'I' and (resid 102 through 137 )
58	X-RAY DIFFRACTION	58	chain 'I' and (resid 138 through 163 )
59	X-RAY DIFFRACTION	59	chain 'I' and (resid 164 through 186 )
60	X-RAY DIFFRACTION	60	chain 'I' and (resid 187 through 212 )
61	X-RAY DIFFRACTION	61	chain 'J' and (resid 1 through 17 )
62	X-RAY DIFFRACTION	62	chain 'J' and (resid 18 through 84 )
63	X-RAY DIFFRACTION	63	chain 'J' and (resid 85 through 113 )
64	X-RAY DIFFRACTION	64	chain 'J' and (resid 114 through 152 )
65	X-RAY DIFFRACTION	65	chain 'J' and (resid 153 through 221 )
66	X-RAY DIFFRACTION	66	chain 'K' and (resid 1 through 25 )
67	X-RAY DIFFRACTION	67	chain 'K' and (resid 26 through 38 )
68	X-RAY DIFFRACTION	68	chain 'K' and (resid 39 through 61 )
69	X-RAY DIFFRACTION	69	chain 'K' and (resid 62 through 101 )
70	X-RAY DIFFRACTION	70	chain 'K' and (resid 102 through 123 )
71	X-RAY DIFFRACTION	71	chain 'K' and (resid 124 through 137 )
72	X-RAY DIFFRACTION	72	chain 'K' and (resid 138 through 150 )
73	X-RAY DIFFRACTION	73	chain 'K' and (resid 151 through 163 )
74	X-RAY DIFFRACTION	74	chain 'K' and (resid 164 through 174 )
75	X-RAY DIFFRACTION	75	chain 'K' and (resid 175 through 186 )
76	X-RAY DIFFRACTION	76	chain 'K' and (resid 187 through 197 )
77	X-RAY DIFFRACTION	77	chain 'K' and (resid 198 through 213 )
78	X-RAY DIFFRACTION	78	chain 'M' and (resid 1 through 17 )
79	X-RAY DIFFRACTION	79	chain 'M' and (resid 18 through 113 )
80	X-RAY DIFFRACTION	80	chain 'M' and (resid 114 through 152 )
81	X-RAY DIFFRACTION	81	chain 'M' and (resid 153 through 221 )
82	X-RAY DIFFRACTION	82	chain 'N' and (resid 1 through 25 )
83	X-RAY DIFFRACTION	83	chain 'N' and (resid 26 through 75 )
84	X-RAY DIFFRACTION	84	chain 'N' and (resid 76 through 128 )
85	X-RAY DIFFRACTION	85	chain 'N' and (resid 129 through 150 )
86	X-RAY DIFFRACTION	86	chain 'N' and (resid 151 through 174 )
87	X-RAY DIFFRACTION	87	chain 'N' and (resid 175 through 186 )
88	X-RAY DIFFRACTION	88	chain 'N' and (resid 187 through 197 )
89	X-RAY DIFFRACTION	89	chain 'N' and (resid 198 through 213 )
90	X-RAY DIFFRACTION	90	chain 'O' and (resid 1 through 17 )
91	X-RAY DIFFRACTION	91	chain 'O' and (resid 18 through 65 )
92	X-RAY DIFFRACTION	92	chain 'O' and (resid 66 through 100 )
93	X-RAY DIFFRACTION	93	chain 'O' and (resid 101 through 113 )
94	X-RAY DIFFRACTION	94	chain 'O' and (resid 114 through 126 )
95	X-RAY DIFFRACTION	95	chain 'O' and (resid 127 through 152 )
96	X-RAY DIFFRACTION	96	chain 'O' and (resid 153 through 164 )
97	X-RAY DIFFRACTION	97	chain 'O' and (resid 165 through 182 )
98	X-RAY DIFFRACTION	98	chain 'O' and (resid 183 through 221 )
99	X-RAY DIFFRACTION	99	chain 'P' and (resid 1 through 25 )
100	X-RAY DIFFRACTION	100	chain 'P' and (resid 26 through 75 )
101	X-RAY DIFFRACTION	101	chain 'P' and (resid 76 through 101 )
102	X-RAY DIFFRACTION	102	chain 'P' and (resid 102 through 118 )
103	X-RAY DIFFRACTION	103	chain 'P' and (resid 119 through 150 )
104	X-RAY DIFFRACTION	104	chain 'P' and (resid 151 through 163 )
105	X-RAY DIFFRACTION	105	chain 'P' and (resid 164 through 213 )
106	X-RAY DIFFRACTION	106	chain 'Q' and (resid 1 through 17 )
107	X-RAY DIFFRACTION	107	chain 'Q' and (resid 18 through 61 )
108	X-RAY DIFFRACTION	108	chain 'Q' and (resid 62 through 84 )
109	X-RAY DIFFRACTION	109	chain 'Q' and (resid 85 through 100 )
110	X-RAY DIFFRACTION	110	chain 'Q' and (resid 101 through 113 )
111	X-RAY DIFFRACTION	111	chain 'Q' and (resid 114 through 126 )
112	X-RAY DIFFRACTION	112	chain 'Q' and (resid 127 through 152 )
113	X-RAY DIFFRACTION	113	chain 'Q' and (resid 153 through 182 )
114	X-RAY DIFFRACTION	114	chain 'Q' and (resid 183 through 221 )
115	X-RAY DIFFRACTION	115	chain 'R' and (resid 1 through 75 )
116	X-RAY DIFFRACTION	116	chain 'R' and (resid 76 through 128 )
117	X-RAY DIFFRACTION	117	chain 'R' and (resid 129 through 163 )
118	X-RAY DIFFRACTION	118	chain 'R' and (resid 164 through 213 )