PDB-4rir: Structural Analysis of the Unmutated Ancestor of the HIV-1 Envelo...

ID or keywords:

Entry

Database: PDB / ID: 4rir

Title

Structural Analysis of the Unmutated Ancestor of the HIV-1 Envelope V2 Region Antibody CH58 Isolated From an RV144 HIV-1 Vaccine Efficacy Trial Vaccinee and Associated with Decreased Transmission Risk

Components

CH58-UA Fab heavy chain
CH58-UA Fab light chain

Keywords

IMMUNE SYSTEM / antibody / IgG fold / HIV-1 gp120 V2 region

Function / homology

Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta

Function and homology information

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.5 Å

Authors

Nicely, N.I. / Wiehe, K. / Kepler, T.B. / Jaeger, F.H. / Dennison, S.M. / Liao, H.-X. / Alam, S.M. / Hwang, K.-K. / Bonsignori, M. / Rerks-Ngarm, S. ...

Citation

Journal: EBioMedicine / Year: 2015
Title: Structural analysis of the unmutated ancestor of the HIV-1 envelope V2 region antibody CH58 isolated from an RV144 vaccine efficacy trial vaccinee.
Authors: Nicely, N.I. / Wiehe, K. / Kepler, T.B. / Jaeger, F.H. / Dennison, S.M. / Rerks-Ngarm, S. / Nitayaphan, S. / Pitisuttithum, P. / Kaewkungwal, J. / Robb, M.L. / O'Connell, R.J. / Michael, N.L. ...

History

Deposition	Oct 7, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 12, 2015	Provider: repository / Type: Initial release
Revision 1.1	Sep 2, 2015	Group: Database references
Revision 1.2	Nov 20, 2024	Group: Data collection / Database references / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4rir.cif.gz	335.9 KB	Display	PDBx/mmCIF format
PDB format	pdb4rir.ent.gz	277.3 KB	Display	PDB format
PDBx/mmJSON format	4rir.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	4rir_validation.pdf.gz	450.2 KB	Display	wwPDB validaton report
Full document	4rir_full_validation.pdf.gz	455.3 KB	Display
Data in XML	4rir_validation.xml.gz	30.3 KB	Display
Data in CIF	4rir_validation.cif.gz	42.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ri/4rir ftp://data.pdbj.org/pub/pdb/validation_reports/ri/4rir	HTTPS FTP

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Related structure data

Related structure data	4risC C: citing same article (ref.)
Similar structure data	3u36-3 5mp1-1 5mv4-7 5ihz-3 2g2r-1 2gsi-1 6mqm-3 3cfb-1 5ik3-2 5mvj-4 3uls-1 5mp5-4 3hnv-d 3u36-4 4m61-1 5ihz-4 4m61-2 6ks2-2 1q72-d 1rih-d 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 - HomologyF&H Search

Related structure data

4risC

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	#21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1)

Deposited unit

H: CH58-UA Fab heavy chain

L: CH58-UA Fab light chain

A: CH58-UA Fab heavy chain

B: CH58-UA Fab light chain

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

1

H: CH58-UA Fab heavy chain

L: CH58-UA Fab light chain

defined by author&software
48.1 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: CH58-UA Fab heavy chain

B: CH58-UA Fab light chain

defined by author&software
48.1 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	53.723, 103.707, 101.188
Angle α, β, γ (deg.)	90.00, 100.45, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Antibody	CH58-UA Fab heavy chain Mass: 24949.910 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell (production host): expi293 / Production host: Homo sapiens (human)
#2: Antibody	CH58-UA Fab light chain Mass: 23170.354 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell (production host): expi293 / Production host: Homo sapiens (human)
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 112 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.88 Å³/Da / Density % sol: 57.3 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6 Details: A drop composed of 0.3 ul protein and 0.3 ul 25 mM MES, pH 6.0, 1.5% PEG 3350 over a reservoir of 50 ul 24% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 93 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-BM / Wavelength: 1 Å
Detector	Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 13, 2012
Radiation	Monochromator: double crystal - liquid nitrogen cooled / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.5→50 Å / Num. all: 34886 / Num. obs: 33979 / % possible obs: 97.4 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2
Reflection shell	Resolution: 2.5→2.54 Å / % possible all: 93.9

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Processing

Software

Name	Version	Classification
PHENIX		model building
PHENIX	(phenix.refine: 1.7.3_928)	refinement
SERGUI		data collection
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.5→25.915 Å / SU ML: 0.45 / σ(F): 0 / Phase error: 29.62 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2888	1870	5.5 %	randomized selection
R_work	0.2204	-	-	-
obs	0.2242	33979	89.52 %	-
all	-	34886	-	-

Solvent computation

Shrinkage radii: 0.73 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 12.295 Å² / k_sol: 0.318 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	5.6455 Å²	-0 Å²	-1.455 Å²
2-	-	-4.2786 Å²	-0 Å²
3-	-	-	-1.3669 Å²

Refinement step

Cycle: LAST / Resolution: 2.5→25.915 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6578	0	0	112	6690

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	6762
X-RAY DIFFRACTION	f_angle_d	0.943	9212
X-RAY DIFFRACTION	f_dihedral_angle_d	13.58	2390
X-RAY DIFFRACTION	f_chiral_restr	0.064	1018
X-RAY DIFFRACTION	f_plane_restr	0.005	1170

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 (%)
2.5-2.5642	0.4299	116	0.3079	2045	X-RAY DIFFRACTION	74
2.5642-2.6396	0.3439	121	0.3012	2197	X-RAY DIFFRACTION	81
2.6396-2.7247	0.4047	141	0.3028	2264	X-RAY DIFFRACTION	83
2.7247-2.822	0.3811	147	0.2827	2275	X-RAY DIFFRACTION	83
2.822-2.9348	0.3479	134	0.2571	2340	X-RAY DIFFRACTION	85
2.9348-3.0682	0.3458	142	0.2478	2441	X-RAY DIFFRACTION	89
3.0682-3.2296	0.3079	143	0.243	2544	X-RAY DIFFRACTION	93
3.2296-3.4316	0.3101	153	0.2422	2683	X-RAY DIFFRACTION	97
3.4316-3.6958	0.3007	156	0.2362	2641	X-RAY DIFFRACTION	97
3.6958-4.0665	0.2495	149	0.2032	2629	X-RAY DIFFRACTION	95
4.0665-4.6519	0.223	159	0.1441	2666	X-RAY DIFFRACTION	96
4.6519-5.8498	0.222	152	0.1699	2677	X-RAY DIFFRACTION	96
5.8498-25.9162	0.2061	157	0.1822	2707	X-RAY DIFFRACTION	96

Refinement TLS params.

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

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	0.327	0.1635	-0.2645	0.6708	-0.3631	0.7463	-0.2435	-0.0428	-0.1231	-0.0728	0.0263	-0.073	0.2697	0.1001	-0.0741	0.6348	0.0313	0.0866	0.0352	0.0912	0.0603	60.237	29.4733	86.4469
2	0.9496	0.2724	0.1146	0.922	0.0984	0.9959	0.0224	-0.0933	-0.0363	-0.1294	-0.0848	-0.1786	-0.0445	0.1784	0.1185	0.2137	0.0102	0.1865	0.0528	0.1107	0.0522	63.103	36.8271	93.8385
3	0.8153	-0.403	-0.23	2.5196	1.0645	1.2739	-0.0808	-0.0852	0.0928	0.1031	0.1297	-0.4238	0.0806	0.1591	-0.2954	0.419	0.1534	0.0795	0.0654	-0.0059	0.2255	68.0869	34.7577	88.7334
4	2.3845	-1.2752	0.0322	1.5313	-0.1753	0.0298	0.0957	0.1192	0.0622	-0.2067	-0.1959	-0.1714	0.2285	0.2468	0.1585	0.3835	0.2244	0.2049	0.3406	0.2802	0.3834	70.6023	26.6046	93.1497
5	0.7874	0.372	-0.5486	2.2226	-0.2813	1.2534	-0.1874	-0.0181	0.0242	-0.123	0.0254	0.079	-0.0543	0.0606	-0.1214	0.3394	0.0775	0.038	-0.0048	0.117	0.0706	56.0539	40.3014	91.4101
6	0.6516	0.0278	-0.235	2.5154	-0.1405	1.2462	-0.0615	-0.0834	-0.1211	-0.1409	-0.0682	-0.0826	0.2425	0.11	-0.0104	0.3198	0.1467	0.0652	0.0448	0.0459	0.0535	55.9212	34.2854	92.1062
7	5.4885	1.1896	2.7053	6.1233	-0.9412	5.0147	0.1113	0.664	0.8271	-0.595	-0.1995	-0.5109	-1.1802	0.5721	0.0743	0.331	0.0438	0.0554	0.1302	0.1373	0.2613	67.619	7.9742	109.5376
8	0.8417	0.9711	0.7401	2.3432	0.5538	3.1572	0.0601	-0.0582	0.0245	0.0292	-0.0845	0.0425	-0.1213	-0.0829	-0.0065	0.1806	-0.1052	-0.0022	0.0759	0.013	0.0421	59.0728	10.4516	123.9456
9	0.1425	0.0413	0.0134	0.6525	-0.053	0.2999	0.1082	-0.0178	-0.0668	-0.008	0.0796	0.0942	0.0371	-0.0197	0.1435	0.1922	-0.1218	-0.0629	-0.113	0.041	0.0034	53.8836	7.372	122.2301
10	2.3357	-0.8782	-0.6205	3.4693	-0.6512	3.0388	-0.0711	-0.3318	-0.2037	0.353	0.089	0.1025	0.602	0.0702	-0.0243	0.2004	-0.0159	-0.0803	0.1708	0.103	0.1119	59.4372	1.7197	127.7847
11	1.7978	0.0472	1.0265	1.692	-0.6832	2.4141	-0.0436	-0.1185	-0.0747	0.0334	0.1456	0.1943	-0.0502	-0.0922	-0.017	0.0745	0.0461	0.0077	0.1584	0.0815	-0.0384	46.9023	42.0986	110.5972
12	1.3357	-0.4223	0.5036	1.5122	-0.9447	3.1087	0.1186	0.0208	-0.0312	-0.1171	0.1115	0.2359	-0.0342	-0.0778	-0.0984	0.1931	0.029	0.0319	0.0742	0.0605	0.0306	51.0576	43.3189	100.4379
13	1.546	0.2284	0.5063	1.5687	-0.5194	1.4237	0.0424	0.0753	0.1358	0.1227	0.1189	0.1611	-0.0934	-0.194	0.0349	0.2149	0.1291	-0.1397	0.1158	0.0993	0.0849	43.2616	48.6461	100.5622
14	2.0888	-0.2277	-0.7332	1.8902	0.1161	2.7147	0.0224	-0.097	0.0468	-0.0404	0.0162	0.2978	-0.0429	-0.2305	0.0117	0.0601	0.0068	-0.0495	0.0949	0.0014	0.1039	48.2424	41.0256	102.1058
15	0.1185	-0.1658	0.2243	0.4392	-0.5882	0.7796	0.0464	-0.0443	-0.0862	-0.0787	0.134	0.1865	0.073	-0.236	-0.1196	0.0439	-0.0375	-0.0766	0.1885	0.0339	0.0739	45.725	28.4814	119.5508
16	6.9932	1.5087	-4.3353	6.4836	2.9093	5.0882	0.2338	-0.4001	-0.9209	0.1622	0.0331	-0.4083	0.7342	0.3056	-0.24	0.3299	-0.0566	-0.1607	0.1526	0.0513	0.2291	68.7455	11.3896	130.3483
17	1.138	-0.6994	0.5524	1.4846	-0.6021	0.9794	0.0933	0.095	0.0198	-0.0843	-0.0064	0.1097	0.0302	-0.0436	-0.052	0.1562	0.0155	-0.1445	0.022	0.0595	0.0582	55.6045	23.4732	122.5981
18	3.3799	-1.7658	-0.1737	7.9704	2.5464	1.7451	0.0185	0.0106	0.3779	-0.3734	-0.1453	-0.2097	-0.5215	-0.3103	0.1551	0.4631	0.0275	0.1098	0.1278	-0.0681	0.3127	66.0812	32.1487	126.1634
19	2.9768	-3.0069	1.2037	4.1867	-0.8542	2.6901	0.1105	-0.0843	-0.4219	-0.0946	0.1776	0.5554	-0.0817	-0.2261	-0.1162	0.2416	0.0794	0.1198	0.0449	0.0138	0.1294	51.142	21.5386	117.4508
20	0.9353	0.5354	0.3361	0.3443	0.4305	1.6856	-0.053	-0.0455	0.1072	0.0163	0.1343	-0.0282	-0.0765	-0.0588	0.2209	0.1623	-0.0646	-0.2089	-0.0031	-0.0632	0.0324	62.1192	26.7261	130.6668
21	1.4628	-0.5435	0.9417	7.3733	1.0295	2.0756	0.0362	0.0914	-0.0433	-0.5359	-0.0341	0.1842	-0.1097	0.047	0.0135	0.1428	-0.005	-0.1196	0.0227	0.051	0.1452	23.7981	-2.6867	133.2961
22	1.7395	-0.4274	-0.4229	0.1906	0.0562	0.619	-0.0482	-0.1336	0.1882	0.0445	-0.0446	0.0423	-0.0416	-0.0437	-0.024	0.0293	0.0497	-0.0501	0.1226	-0.138	0.1581	16.9617	5.3362	148.9298
23	0.0497	0.1656	-0.0403	1.5601	0.1386	0.1005	-0.0167	0.0054	0.1216	-0.2711	-0.0119	0.1032	-0.0931	0.0688	0.0464	0.0574	-0.0202	-0.0162	0.0787	-0.0264	0.0609	21.5919	-9.9718	137.4127
24	1.3193	0.4206	0.1219	0.7211	-0.0215	0.5817	0.1263	-0.1867	0.001	0.0087	-0.0514	0.1499	0.1371	-0.1899	0.0172	0.0252	-0.0761	-0.039	0.0557	0.0057	0.0428	18.575	-14.1311	145.9648
25	3.0742	-1.0946	-0.3569	1.6875	-0.2736	1.4739	0.0175	-0.0501	-0.0547	0.0019	0.0381	0.0333	-0.0402	-0.0618	-0.0332	-0.0094	0.0429	0.0024	0.0294	0.0773	0.1175	12.7373	-7.3847	138.8542
26	0.7506	0.1226	0.2055	0.1721	-0.1213	0.261	0.0506	-0.0999	0.0539	-0.0271	-0.0003	0.0037	0.0358	0.0317	-0.0154	-0.1372	-0.0217	-0.0784	-0.1569	-0.0953	0.052	24.1401	-10.4171	141.0859
27	2.1452	-1.3399	-0.2182	1.5583	-0.7679	1.6785	0.0555	-0.0833	-0.3272	-0.0164	-0.1074	-0.0118	0.0424	0.0001	-0.1785	0.0175	-0.001	-0.0003	0.0515	0.0431	0.0668	43.2334	15.1537	166.9881
28	0.9766	-0.2784	0.9276	0.3716	-0.4977	1.4629	-0.0156	0.1035	0.1007	-0.0385	0.0463	0.0924	-0.005	-0.0418	-0.0062	-0.0184	-0.0651	0.0189	0.0134	0.0664	0.0795	37.2231	15.1267	160.7765
29	0.9967	-0.0805	0.1384	1.1358	-0.0846	0.432	-0.0375	-0.0058	0.0938	0.0492	-0.0277	-0.2487	-0.1064	0.061	0.0168	-0.0424	-0.0025	-0.1094	0.0214	0.035	0.0368	46.9128	17.691	162.2022
30	5.5955	-3.3658	-0.9911	7.8334	0.2492	1.0879	-0.2361	-0.476	0.4464	0.7792	0.1093	-0.5668	-0.3383	0.1579	0.0767	0.1583	-0.0711	0.0098	0.0766	-0.0331	0.0944	48.1431	21.9763	171.6807
31	0.3632	-0.0731	-0.0127	0.3787	0.1056	0.2509	-0.0067	-0.0179	-0.0831	-0.0421	0.008	-0.0546	-0.0235	0.082	-0.0368	-0.0086	0.035	0.0015	-0.035	-0.0392	0.0562	39.5385	-18.6346	144.6515
32	1.7647	0.4758	-0.0527	1.2347	-0.3347	1.8758	0.0835	0.1174	-0.1422	-0.065	-0.0754	-0.1055	0.1738	-0.0175	0.0704	0.0477	-0.0055	0.0389	0.0421	-0.0446	0.0834	42.8959	-23.7526	139.0351
33	3.0319	0.2767	-0.1083	1.447	0.2066	1.1955	0.0592	0.0106	0.1665	0.0322	0.0789	-0.1245	0.0471	0.147	-0.0723	0.0731	0.0396	0.0162	0.0454	0.0138	0.0665	39.0973	-15.5288	142.0866
34	0.024	-0.0364	-0.0029	0.0897	0.0731	0.1526	0.0405	-0.0292	0.0314	-0.0223	0.0432	-0.0385	-0.0153	0.0573	0.1146	-0.0316	-0.0428	0.0441	0.0429	-0.074	-0.018	45.7074	-10.3557	147.4648
35	0.4305	0.0832	-0.1477	1.6631	0.6456	1.9924	0.0066	-0.0676	-0.0828	0.099	-0.0681	0.0824	-0.0358	-0.1103	-0.0222	0.0582	-0.0055	0.0166	0.0056	0.027	0.0439	45.6238	4.031	166.8806
36	3.9243	1.4863	-2.343	3.5514	-0.581	1.4302	0.0347	0.2164	-0.2006	-0.5289	-0.0022	0.1012	0.4932	0.0052	-0.0815	0.2138	-0.0269	-0.0845	0.0631	0.0479	0.1828	40.6589	-8.2065	173.219
37	2.1896	0.1813	0.1059	0.8421	0.2086	1.7772	-0.046	0.2917	0.0768	-0.042	0.0069	0.0802	-0.0757	-0.275	-0.0029	0.0665	-0.0035	-0.118	0.0429	-0.014	0.0729	44.7866	2.8987	158.0757
38	0.8361	-0.1619	-0.2206	1.0863	-1.0224	1.5894	-0.0849	-0.1028	-0.0774	0.185	0.0943	0.1284	0.0542	-0.0474	0.0825	0.1736	0.018	0.0894	0.0648	0.0849	0.0068	42.0946	-1.2583	176.5478
39	7.1485	1.6615	0.5241	8.2869	-2.7828	1.1062	-0.0776	0.0208	-0.5684	-0.0698	-0.0085	0.1466	0.9031	-0.1472	0.0755	0.1279	-0.065	-0.0016	0.0514	0.0285	0.152	52.8019	-8.7314	161.2074
40	2.1489	-1.2349	0.4139	5.2557	-2.7762	8.1196	-0.2131	-0.2835	0.0922	0.4053	0.0993	-0.041	-0.7731	0.2187	0.1355	0.2986	0.0883	0.0279	0.2118	0.0543	0.1445	49.7634	1.8249	178.2399

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(chain A and resid 1:36)
2	X-RAY DIFFRACTION	2	(chain A and resid 37:58)
3	X-RAY DIFFRACTION	3	(chain A and resid 59:78)
4	X-RAY DIFFRACTION	4	(chain A and resid 79:83)
5	X-RAY DIFFRACTION	5	(chain A and resid 84:100D)
6	X-RAY DIFFRACTION	6	(chain A and resid 100E:112)
7	X-RAY DIFFRACTION	7	(chain A and resid 113:119)
8	X-RAY DIFFRACTION	8	(chain A and resid 120:147)
9	X-RAY DIFFRACTION	9	(chain A and resid 148:204)
10	X-RAY DIFFRACTION	10	(chain A and resid 205:213)
11	X-RAY DIFFRACTION	11	(chain B and resid 1:24)
12	X-RAY DIFFRACTION	12	(chain B and resid 25:46)
13	X-RAY DIFFRACTION	13	(chain B and resid 47:72)
14	X-RAY DIFFRACTION	14	(chain B and resid 73:98)
15	X-RAY DIFFRACTION	15	(chain B and resid 99:119)
16	X-RAY DIFFRACTION	16	(chain B and resid 120:126)
17	X-RAY DIFFRACTION	17	(chain B and resid 127:148)
18	X-RAY DIFFRACTION	18	(chain B and resid 149:158)
19	X-RAY DIFFRACTION	19	(chain B and resid 159:179)
20	X-RAY DIFFRACTION	20	(chain B and resid 180:210)
21	X-RAY DIFFRACTION	21	(chain H and resid 1:10)
22	X-RAY DIFFRACTION	22	(chain H and resid 11:20)
23	X-RAY DIFFRACTION	23	(chain H and resid 21:42)
24	X-RAY DIFFRACTION	24	(chain H and resid 43:65)
25	X-RAY DIFFRACTION	25	(chain H and resid 66:78)
26	X-RAY DIFFRACTION	26	(chain H and resid 79:113)
27	X-RAY DIFFRACTION	27	(chain H and resid 114:138)
28	X-RAY DIFFRACTION	28	(chain H and resid 139:150)
29	X-RAY DIFFRACTION	29	(chain H and resid 151:206)
30	X-RAY DIFFRACTION	30	(chain H and resid 207:213)
31	X-RAY DIFFRACTION	31	(chain L and resid 1:50)
32	X-RAY DIFFRACTION	32	(chain L and resid 51:75)
33	X-RAY DIFFRACTION	33	(chain L and resid 76:95)
34	X-RAY DIFFRACTION	34	(chain L and resid 96:112)
35	X-RAY DIFFRACTION	35	(chain L and resid 113:148)
36	X-RAY DIFFRACTION	36	(chain L and resid 149:156)
37	X-RAY DIFFRACTION	37	(chain L and resid 157:180)
38	X-RAY DIFFRACTION	38	(chain L and resid 181:196)
39	X-RAY DIFFRACTION	39	(chain L and resid 197:203)
40	X-RAY DIFFRACTION	40	(chain L and resid 204:210)

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