PDB-4qf1: Crystal structure of unliganded CH59UA, the inferred unmutated an...

ID or keywords:

Entry

Database: PDB / ID: 4qf1

Title

Crystal structure of unliganded CH59UA, the inferred unmutated ancestor of the RV144 anti-HIV antibody lineage producing CH59

Components

CH59UA Fab fragment of heavy chain
Inferred unmutated ancestor (UA) of anti-HIV antibody CH59

Keywords

IMMUNE SYSTEM / anti-HIV antibody / gp120

Function / homology

Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / TRIETHYLENE GLYCOL

Function and homology information

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.4 Å

Authors

Wiehe, K. / Easterhoff, D. / Luo, K. / Nicely, N.I. / Bradley, T. / Jaeger, F.H. / Dennison, S.M. / Zhang, R. / Lloyd, K.E. / Stolarchuk, C. ...

Citation

Journal: Immunity / Year: 2014
Title: Antibody Light-Chain-Restricted Recognition of the Site of Immune Pressure in the RV144 HIV-1 Vaccine Trial Is Phylogenetically Conserved.
Authors: Wiehe, K. / Easterhoff, D. / Luo, K. / Nicely, N.I. / Bradley, T. / Jaeger, F.H. / Dennison, S.M. / Zhang, R. / Lloyd, K.E. / Stolarchuk, C. / Parks, R. / Sutherland, L.L. / Scearce, R.M. / ...

History

Deposition	May 19, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 18, 2015	Provider: repository / Type: Initial release
Revision 1.1	Nov 22, 2017	Group: Refinement description / Category: software / Item: _software.name
Revision 1.2	Apr 3, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4qf1.cif.gz	338.4 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	4qf1_validation.pdf.gz	482.9 KB	Display	wwPDB validaton report
Full document	4qf1_full_validation.pdf.gz	492.1 KB	Display
Data in XML	4qf1_validation.xml.gz	33.6 KB	Display
Data in CIF	4qf1_validation.cif.gz	46.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/qf/4qf1 ftp://data.pdbj.org/pub/pdb/validation_reports/qf/4qf1	HTTPS FTP

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Related structure data

Related structure data	4hpy
Similar structure data	4qhl-2 5tf1-d 3cvi-d 3u36-1 4hk0-1 4rir-2 4wht-6 3qg6-2 5aze-d 4xbg-2 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

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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: CH59UA Fab fragment of heavy chain

L: Inferred unmutated ancestor (UA) of anti-HIV antibody CH59

A: CH59UA Fab fragment of heavy chain

B: Inferred unmutated ancestor (UA) of anti-HIV antibody CH59

hetero molecules

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

1

H: CH59UA Fab fragment of heavy chain

L: Inferred unmutated ancestor (UA) of anti-HIV antibody CH59

hetero molecules

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

2

A: CH59UA Fab fragment of heavy chain

B: Inferred unmutated ancestor (UA) of anti-HIV antibody CH59

hetero molecules

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

Unit cell

Length a, b, c (Å)	76.332, 70.803, 107.314
Angle α, β, γ (deg.)	90.00, 96.84, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Details

The biological unit is a heterodimer consisting of one H chain and one L chain or one A chain and one B chain.

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Antibody , 2 types, 4 molecules HALB

#1: Antibody	CH59UA Fab fragment of heavy chain Mass: 23958.779 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293 / Organ (production host): Kidney / Production host: Homo sapiens (human)
#2: Antibody	Inferred unmutated ancestor (UA) of anti-HIV antibody CH59 Mass: 22878.275 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293F / Organ (production host): Kidney / Production host: Homo sapiens (human)

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Non-polymers , 5 types, 209 molecules

#3: Chemical	ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID Mass: 195.237 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₆H₁₃NO₄S / Comment: pH buffer*YM
#4: Chemical	ChemComp-PGE / TRIETHYLENE GLYCOL Mass: 150.173 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₆H₁₄O₄
#5: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#6: Chemical	ChemComp-PG4 / TETRAETHYLENE GLYCOL Mass: 194.226 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₈H₁₈O₅ / Comment: precipitant*YM
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 201 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.07 Å³/Da / Density % sol: 59.98 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6 Details: A drop of 0.3 ul protein plus 0.3 ul reservoir, over the 60 ul reservoir which was 0.05 M CaCl2 dihydrate, 0.1 M MES monohydrate pH 6.0, 45% PEG 200., VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 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: SAGITALLY FOCUSED SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.4→25.8 Å / Num. all: 44705 / Num. obs: 44571 / % possible obs: 99.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 1.5 / Redundancy: 3.6 % / R_sym value: 0.09 / Net I/σ(I): 17.2

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Processing

Software

Name	Version	Classification
MAR345		data collection
PHENIX		model building
PHENIX	(phenix.refine: 1.7.3_928)	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: Mature unliganded CH59 Fab

Resolution: 2.4→25.8 Å / SU ML: 0.31 / σ(F): 0 / Phase error: 21.54 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2292	1887	4.49 %	Random
R_work	0.182	-	-	-
all	0.1841	44958	-	-
obs	0.1841	41986	93.39 %	-

Solvent computation

Shrinkage radii: 0.73 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 40.548 Å² / k_sol: 0.4 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.4684 Å²	0 Å²	4.8318 Å²
2-	-	-1.9898 Å²	0 Å²
3-	-	-	1.5214 Å²

Refinement step

Cycle: LAST / Resolution: 2.4→25.8 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6361	0	72	201	6634

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	6604
X-RAY DIFFRACTION	f_angle_d	1.068	8975
X-RAY DIFFRACTION	f_dihedral_angle_d	13.758	2385
X-RAY DIFFRACTION	f_chiral_restr	0.069	995
X-RAY DIFFRACTION	f_plane_restr	0.005	1145

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 (%)
2.3953-2.46	0.2707	125	0.2117	2718	X-RAY DIFFRACTION	83
2.46-2.5324	0.2663	142	0.1944	2920	X-RAY DIFFRACTION	89
2.5324-2.614	0.2454	140	0.1884	2887	X-RAY DIFFRACTION	88
2.614-2.7074	0.2512	136	0.1837	2891	X-RAY DIFFRACTION	89
2.7074-2.8156	0.2239	138	0.1928	2962	X-RAY DIFFRACTION	89
2.8156-2.9436	0.2609	144	0.1934	2920	X-RAY DIFFRACTION	90
2.9436-3.0986	0.2618	141	0.2063	3026	X-RAY DIFFRACTION	92
3.0986-3.2923	0.262	149	0.2033	3231	X-RAY DIFFRACTION	98
3.2923-3.5459	0.2467	154	0.2012	3284	X-RAY DIFFRACTION	100
3.5459-3.9017	0.2341	155	0.1836	3295	X-RAY DIFFRACTION	100
3.9017-4.4638	0.1848	151	0.1488	3292	X-RAY DIFFRACTION	99
4.4638-5.6144	0.19	153	0.147	3291	X-RAY DIFFRACTION	99
5.6144-25.8706	0.2186	159	0.1909	3382	X-RAY DIFFRACTION	99

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	4.7507	-2.1533	2.5855	4.1151	-1.5442	3.799	-0.0627	-0.1251	0.4309	0.2085	0.1233	0.3283	-0.5738	-0.1006	0.0925	0.2893	-0.025	0.078	0.0625	-0.0193	0.2582	63.4039	6.3637	362.65
2	1.5014	0.3854	-0.8484	2.0848	0.231	1.8426	0.137	0.0509	0.0724	0.0795	0.0182	0.0349	-0.2191	0.0659	-0.116	0.135	0.0093	0.0025	0.0499	-0.0103	0.0591	70.7614	-2.6017	356.4135
3	2.566	-1.7584	-1.8659	5.3487	0.115	2.2333	0.1843	0.3119	0.1668	-0.0408	0.1473	0.4028	-0.0743	-0.0971	-0.2943	0.1637	0.0049	0.0152	0.1278	0.0394	0.15	62.2432	-1.7967	358.9296
4	7.0074	6.3607	-1.0999	7.7487	-3.4683	5.2731	-0.1302	0.5367	-0.5096	-0.011	0.2518	-1.2497	0.5143	1.692	-0.0471	0.2246	0.0322	-0.0269	0.5043	-0.0863	0.2212	78.5851	-17.5204	357.5974
5	1.9704	-1.7359	-0.6474	4.0403	1.1694	3.3899	-0.1747	-0.2795	0.1131	0.3235	0.2594	0.1794	-0.3246	-0.0946	-0.0232	0.2168	0.0328	0.1056	0.0974	0.02	0.0953	63.1523	-2.7002	364.9197
6	1.6357	-0.0127	0.7931	5.6706	0.0324	1.7431	0.1931	-0.0449	0.1229	-0.1529	-0.0804	0.255	0.2707	-0.0872	-0.0731	0.2802	0.0064	0.0905	0.0911	0.0132	0.4766	30.4204	0.1629	373.6912
7	3.8658	1.8934	-2.4039	1.9204	-3.5105	6.977	0.5686	0.3722	0.7797	0.4393	0.0536	0.0733	-0.6285	0.0983	-0.6196	0.3819	-0.0069	0.0872	0.1361	0.0672	0.4489	35.2926	2.3212	371.1259
8	0.5883	0.2339	0.0052	3.8018	2.0812	1.1655	-0.1083	-0.2491	-0.107	0.5642	0.0761	-0.9132	0.5365	0.4677	0.1122	0.3514	0.0786	-0.0262	0.229	0.0733	0.6341	37.1993	-1.5719	380.4706
9	2.3045	0.9392	0.1192	8.7717	-0.0766	3.3135	-0.0915	-0.1001	-0.1333	0.4535	-0.1916	-0.1682	0.1656	-0.0973	0.2298	0.3215	0.0547	0.0645	0.1549	0.018	0.495	31.8492	0.6651	378.6385
10	5.8554	2.4768	4.646	5.9761	-1.3148	5.8692	0.266	-0.6083	-0.3284	0.2552	-0.2327	1.6781	-0.7546	-1.0408	0.0632	0.3709	0.0086	0.1635	0.435	-0.2357	0.8727	21.3927	0.4827	378.6442
11	5.7271	2.4371	-1.2524	5.2437	-1.5255	5.6753	0.305	0.5529	0.2862	-0.2253	0.124	0.6566	-0.6493	-0.3931	-0.4701	0.275	0.0669	-0.0047	0.2074	0.0655	0.1805	54.5428	-21.1039	358.103
12	2.368	0.5177	-2.3984	0.9736	-0.8023	6.3186	-0.1697	0.0659	-0.3246	0.0187	0.1073	0.0309	0.3936	-0.4142	0.0228	0.2331	-0.0234	-0.0086	0.114	0.0299	0.164	60.8125	-27.9057	360.1476
13	2.3172	-0.6532	-0.2931	3.7979	-0.9974	0.644	-0.0825	-0.2975	0.0002	0.2726	0.1928	0.0251	0.312	0.0391	0.006	0.208	0.0076	-0.0021	0.1442	0.0715	0.0743	67.0434	-19.2831	365.3648
14	0.8784	1.3727	0.9221	2.1565	1.2577	8.1753	0.2195	-0.206	-0.4706	-0.0116	-0.1323	-0.3157	0.7321	0.2411	-0.0375	0.2246	0.0931	0.0261	0.1954	0.0887	0.1984	68.7918	-28.1548	364.737
15	2.0376	0.355	-1.1621	2.3514	-1.6249	2.9149	0.1589	-0.1478	0.0648	0.1131	0.0877	0.1147	0.0044	-0.1399	-0.2162	0.1636	0.0058	-0.0153	0.0829	0.0124	0.088	61.8179	-20.5023	362.6576
16	3.6565	-2.6634	0.6223	3.3061	-0.5391	1.1645	0.0096	-0.0093	-0.0054	-0.0375	-0.122	0.5341	-0.2113	-0.1539	0.0098	0.2027	0.0053	-0.04	0.0866	0.0269	0.2834	34.0009	-11.8202	371.3968
17	5.4755	-4.9754	1.6677	9.3071	-3.5102	3.9372	-0.0813	-0.044	0.1214	-0.2651	-0.0383	0.1419	-0.1925	-0.1983	-0.0596	0.263	0.0088	0.0163	0.0845	0.0569	0.3053	37.7907	-13.858	368.604
18	3.8597	4.1732	-0.8433	8.0452	4.1463	7.4262	0.1134	-0.051	-0.6168	-0.7223	-0.8135	-0.9403	1.2507	0.2714	0.5256	1.0003	0.1343	-0.161	0.4456	0.1855	0.6427	33.6157	-13.6232	354.2487
19	8.4486	-0.404	3.8924	5.4126	3.4003	4.1781	-0.2602	0.1417	0.6786	0.638	-0.0821	-0.2361	-1.1338	0.5423	0.3601	0.4299	-0.0467	0.0813	0.0938	-0.0169	0.3862	44.1788	-10.5629	372.6998
20	4.8067	-1.5038	0.5114	5.9653	-1.093	2.0684	0.07	0.4633	0.1431	-0.5394	-0.2312	0.4483	-0.3066	-0.1886	0.0778	0.4012	0.0856	-0.0569	0.151	-0.0224	0.323	32.7742	-13.5075	364.4773
21	3.1136	-0.5178	-1.6364	0.9797	-1.0903	3.4355	-0.1015	0.4195	0.5569	-0.3682	0.2269	0.0765	-0.3873	-0.1571	-0.1648	0.133	0.013	0.057	0.2214	0.0761	0.1782	80.5831	-0.5652	324.0652
22	2.2189	-0.6919	0.8247	0.4876	0.5449	2.6734	0.0964	0.3773	0.3831	-0.0986	0.1582	0.0693	-0.197	-0.2199	-0.0441	0.0926	0.0507	0.1	0.2198	0.0957	0.1033	69.4217	-4.6344	328.5685
23	0.9145	-1.2085	-0.5625	3.9864	0.0397	4.241	0.1836	0.1331	0.1306	-0.2238	-0.0917	-0.2911	-0.0329	0.2417	0.0304	0.0836	0.0033	-0.0279	0.1091	0.0681	0.0655	81.2377	-9.9746	332.6376
24	3.6632	-0.0604	0.2633	1.7574	-0.1715	1.7892	0.0237	0.0345	0.3898	0.0911	0.0658	-0.0188	-0.2663	-0.0351	0.0264	0.0869	0.0168	-0.0013	0.1071	0.0306	0.0759	72.3416	-2.4231	336.4726
25	3.6563	1.2755	-2.9641	5.4248	-1.4471	2.4882	0.2339	-0.1513	0.4385	0.0461	-0.0524	-0.3531	-0.1306	-0.0469	-0.1787	0.1281	0.0256	0.0001	0.1164	0.0085	0.1546	82.792	-4.2995	331.0138
26	6.9966	0.3036	2.4668	4.7803	2.4704	6.9235	-0.0049	-0.1397	-0.1023	-0.1324	-0.0591	0.3196	0.2652	-0.971	-0.0366	0.1771	-0.0178	-0.0292	0.2739	-0.0069	0.0585	68.5837	-19.2192	333.5487
27	4.0434	0.5893	-1.9361	0.5237	-1.4172	3.8766	-0.1272	0.3484	0.3564	-0.4042	0.1483	-0.3366	-0.3149	-0.06	-0.0937	0.1422	0.0405	0.1016	0.1608	-0.0302	0.3068	87.1497	-2.7247	324.3955
28	5.5905	-2.0817	-2.171	3.8372	-0.4736	2.5591	0.029	-0.0293	-0.2201	-0.2389	-0.2253	0.3523	0.3091	-0.0878	0.1907	0.1712	-0.027	-0.0166	0.2238	-0.074	0.3077	111.3376	-7.5651	315.335
29	4.4539	-2.2627	-1.7892	6.2069	1.787	3.5024	0.0005	0.3106	-0.1671	-0.287	-0.417	0.0118	0.4319	0.085	0.2959	0.1981	0.0395	0.064	0.3129	-0.0321	0.3082	112.9462	-6.119	314.3221
30	4.511	-4.4933	3.5663	5.0201	-2.5744	4.5744	-0.2182	0.4078	0.4416	-0.5868	-0.4863	-1.8306	0.2785	1.0896	0.4962	0.2686	0.0475	0.0989	0.4932	0.1158	0.5558	122.6425	-4.812	312.4069
31	5.0812	-4.6766	-3.7364	5.6206	4.8462	6.0641	0.0976	-0.5694	1.1889	0.2639	0.3518	-0.5492	-1.1259	0.6557	-0.5329	0.3716	0.027	-0.0157	0.2294	-0.1105	0.3053	89.1422	-21.0501	340.8829
32	3.6517	-0.6114	-2.9036	0.9205	1.6438	5.9989	-0.0684	-0.126	-0.2059	0.2826	0.291	-0.1119	0.6432	0.4402	-0.2216	0.1723	0.0194	-0.0588	0.1529	-0.0124	0.1495	87.64	-31.5096	334.1317
33	1.3927	0.1137	-0.3107	2.4849	0.3319	2.5773	-0.0201	0.2085	-0.0394	-0.11	0.0136	0.0582	0.3306	-0.0966	0.0516	0.0877	0.0056	-0.0019	0.1384	-0.046	0.0136	77.8806	-24.3454	331.5516
34	2.9819	0.37	1.4836	2.413	1.6562	5.6249	-0.0223	0.1885	-0.3411	0.0701	-0.101	0.2765	0.5622	-0.1484	-0.2191	0.2323	-0.0788	0.0362	0.1652	-0.0655	0.1537	77.5915	-32.7415	332.7749
35	1.5431	-0.0339	-1.1958	1.481	0.9399	2.5829	0.1097	0.1951	-0.0191	0.3031	-0.085	-0.103	0.0888	-0.3559	0.0301	0.1646	0.0012	-0.0244	0.154	-0.0209	0.0804	82.4082	-24.4645	332.0257
36	3.2599	-1.6166	-1.7795	5.8087	5.2627	6.3265	0.1212	0.1907	0.1028	-0.2137	0.5424	-0.5143	-0.2468	0.5286	-0.1848	0.1416	-0.0089	-0.0413	0.1792	0.0144	0.09	87.71	-24.0767	329.0085
37	6.8099	4.4072	2.0964	5.9244	2.1438	3.4486	-0.133	0.3424	0.121	-0.1074	-0.147	-0.0804	-0.2269	0.4265	0.0645	0.127	-0.0133	-0.1089	0.361	-0.0177	0.3546	115.2386	-16.1749	322.4417
38	3.3921	2.0609	0.2215	2.5696	-0.1629	1.4503	0.1254	-0.2197	0.2398	0.392	-0.4871	0.1391	0.0714	0.0447	0.1539	0.136	-0.122	0.0168	0.3264	-0.0952	0.2247	110.2225	-20.8566	327.4657
39	7.6311	1.7255	3.9426	4.9652	2.4947	7.1301	0.256	-0.0129	0.2862	-0.0426	-0.178	0.2816	-0.1635	-0.208	0.0875	0.1155	-0.0872	0.0178	0.2307	-0.1022	0.3237	103.2622	-18.6786	322.4687
40	2.2103	-1.1087	0.5885	2.6881	0.696	1.341	0.0531	-0.3067	0.1896	0.1833	-0.1133	-0.4863	-0.2532	0.2879	-0.0812	0.1795	-0.1477	-0.0864	0.4616	0.0029	0.2645	116.9576	-19.6832	331.0924

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( chain A and resid 3:19 )	A	3 - 19
2	X-RAY DIFFRACTION	2	( chain A and resid 20:82 )	A	20 - 82
3	X-RAY DIFFRACTION	3	( chain A and resid 82A:96 )	A	82A - 96
4	X-RAY DIFFRACTION	4	( chain A and resid 97:100B )	A	97 - 100B
5	X-RAY DIFFRACTION	5	( chain A and resid 100C:114 )	A	100C - 114
6	X-RAY DIFFRACTION	6	( chain A and resid 115:139 )	A	115 - 139
7	X-RAY DIFFRACTION	7	( chain A and resid 140:145 )	A	140 - 145
8	X-RAY DIFFRACTION	8	( chain A and resid 146:170 )	A	146 - 170
9	X-RAY DIFFRACTION	9	( chain A and resid 171:208 )	A	171 - 208
10	X-RAY DIFFRACTION	10	( chain A and resid 209:213 )	A	209 - 213
11	X-RAY DIFFRACTION	11	( chain B and resid 1:12 )	B	1 - 12
12	X-RAY DIFFRACTION	12	( chain B and resid 13:33 )	B	13 - 33
13	X-RAY DIFFRACTION	13	( chain B and resid 34:52 )	B	34 - 52
14	X-RAY DIFFRACTION	14	( chain B and resid 53:70 )	B	53 - 70
15	X-RAY DIFFRACTION	15	( chain B and resid 71:104 )	B	71 - 104
16	X-RAY DIFFRACTION	16	( chain B and resid 105:128 )	B	105 - 128
17	X-RAY DIFFRACTION	17	( chain B and resid 129:149 )	B	129 - 149
18	X-RAY DIFFRACTION	18	( chain B and resid 150:158 )	B	150 - 158
19	X-RAY DIFFRACTION	19	( chain B and resid 159:168 )	B	159 - 168
20	X-RAY DIFFRACTION	20	( chain B and resid 169:208 )	B	169 - 208
21	X-RAY DIFFRACTION	21	( chain H and resid 3:15 )	H	3 - 15
22	X-RAY DIFFRACTION	22	( chain H and resid 16:33 )	H	16 - 33
23	X-RAY DIFFRACTION	23	( chain H and resid 34:51 )	H	34 - 51
24	X-RAY DIFFRACTION	24	( chain H and resid 52:81 )	H	52 - 81
25	X-RAY DIFFRACTION	25	( chain H and resid 82:95 )	H	82 - 95
26	X-RAY DIFFRACTION	26	( chain H and resid 96:102 )	H	96 - 102
27	X-RAY DIFFRACTION	27	( chain H and resid 103:116 )	H	103 - 116
28	X-RAY DIFFRACTION	28	( chain H and resid 117:169 )	H	117 - 169
29	X-RAY DIFFRACTION	29	( chain H and resid 170:207 )	H	170 - 207
30	X-RAY DIFFRACTION	30	( chain H and resid 208:213 )	H	208 - 213
31	X-RAY DIFFRACTION	31	( chain L and resid 1:7 )	L	1 - 7
32	X-RAY DIFFRACTION	32	( chain L and resid 8:30 )	L	8 - 30
33	X-RAY DIFFRACTION	33	( chain L and resid 31:52 )	L	31 - 52
34	X-RAY DIFFRACTION	34	( chain L and resid 53:74 )	L	53 - 74
35	X-RAY DIFFRACTION	35	( chain L and resid 75:95B )	L	75 - 448
36	X-RAY DIFFRACTION	36	( chain L and resid 96:107 )	L	96 - 107
37	X-RAY DIFFRACTION	37	( chain L and resid 108:128 )	L	108 - 128
38	X-RAY DIFFRACTION	38	( chain L and resid 129:154 )	L	129 - 154
39	X-RAY DIFFRACTION	39	( chain L and resid 155:176 )	L	155 - 176
40	X-RAY DIFFRACTION	40	( chain L and resid 177:208 )	L	177 - 208

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