PDB-4zbf: Mcl-1 complexed with small molecules

Basic information

• Entry: Database: PDB / ID: 4zbf
• Title: Mcl-1 complexed with small molecules
• Components: Induced myeloid leukemia cell differentiation protein Mcl-1
• Keywords: apoptosis/apoptosis inhibitor / Inhibitor / Complex / apoptosis-apoptosis inhibitor complex

Function / homology

Function:

positive regulation of oxidative stress-induced neuron intrinsic apoptotic signaling pathway / cellular homeostasis / cell fate determination / channel activity / mitochondrial fusion / Bcl-2 family protein complex / BH3 domain binding / negative regulation of anoikis / negative regulation of extrinsic apoptotic signaling pathway in absence of ligand / protein transmembrane transporter activity / extrinsic apoptotic signaling pathway in absence of ligand / negative regulation of autophagy / release of cytochrome c from mitochondria / response to cytokine / intrinsic apoptotic signaling pathway in response to DNA damage / Signaling by ALK fusions and activated point mutants / regulation of apoptotic process / Interleukin-4 and Interleukin-13 signaling / mitochondrial outer membrane / positive regulation of apoptotic process / protein heterodimerization activity / DNA damage response / negative regulation of apoptotic process / protein homodimerization activity / mitochondrion / nucleoplasm / membrane / nucleus / cytoplasm / cytosol

Domain/homology:

Apoptosis regulator, Mcl-1 / Blc2-like / Apoptosis Regulator Bcl-x / Apoptosis regulator, Bcl-2, BH3 motif, conserved site / Apoptosis regulator, Bcl-2 family BH3 motif signature. / Apoptosis regulator, Bcl-2, BH1 motif, conserved site / Apoptosis regulator, Bcl-2 family BH1 motif signature. / Apoptosis regulator, Bcl-2, BH2 motif, conserved site / Apoptosis regulator, Bcl-2 family BH2 motif signature. / BCL (B-Cell lymphoma); contains BH1, BH2 regions / Bcl-2 family / Bcl-2, Bcl-2 homology region 1-3 / Bcl2-like / Apoptosis regulator proteins, Bcl-2 family / BCL2-like apoptosis inhibitors family profile. / Bcl-2-like superfamily / Orthogonal Bundle / Mainly Alpha

Component:

Chem-4M7 / Induced myeloid leukemia cell differentiation protein Mcl-1

• Biological species: Homo sapiens (human)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å
• Authors: Zhao, B.

Funding support

United States, 1items

Organization	Grant number	Country
National Institutes of Health/National Cancer Institute (NIH/NCI)	BOA29XS129TO22	United States

• Citation: Journal: J.Med.Chem. / Year: 2015; Title: Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.; Authors: Burke, J.P. / Bian, Z. / Shaw, S. / Zhao, B. / Goodwin, C.M. / Belmar, J. / Browning, C.F. / Vigil, D. / Friberg, A. / Camper, D.V. / Rossanese, O.W. / Lee, T. / Olejniczak, E.T. / Fesik, S.W.

History

Deposition	Apr 14, 2015	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 29, 2015	Provider: repository / Type: Initial release
Revision 1.1	May 27, 2015	Group: Database references
Revision 1.2	Sep 20, 2017	Group: Author supporting evidence / Database references / Derived calculations / Source and taxonomy / Structure summary Category: citation / entity_src_gen / pdbx_audit_support / pdbx_struct_assembly / pdbx_struct_oper_list / struct_keywords Item: _citation.journal_id_CSD / _entity_src_gen.pdbx_alt_source_flag / _pdbx_audit_support.funding_organization / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_oper_list.symmetry_operation / _struct_keywords.text
Revision 1.3	Dec 4, 2019	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4	Mar 6, 2024	Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Assembly

Deposited unit

A: Induced myeloid leukemia cell differentiation protein Mcl-1

B: Induced myeloid leukemia cell differentiation protein Mcl-1

C: Induced myeloid leukemia cell differentiation protein Mcl-1

D: Induced myeloid leukemia cell differentiation protein Mcl-1

E: Induced myeloid leukemia cell differentiation protein Mcl-1

F: Induced myeloid leukemia cell differentiation protein Mcl-1

G: Induced myeloid leukemia cell differentiation protein Mcl-1

H: Induced myeloid leukemia cell differentiation protein Mcl-1

I: Induced myeloid leukemia cell differentiation protein Mcl-1

J: Induced myeloid leukemia cell differentiation protein Mcl-1

K: Induced myeloid leukemia cell differentiation protein Mcl-1

L: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• 219 kDa, 12 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	219,406	24
Polymers	214,203	12
Non-polymers	5,202	12
Water	6,251	347

1

A: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• defined by author&software
• 18.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	18,284	2
Polymers	17,850	1
Non-polymers	434	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

2

B: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• defined by author&software
• 18.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	18,284	2
Polymers	17,850	1
Non-polymers	434	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

3

C: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• defined by author&software
• 18.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	18,284	2
Polymers	17,850	1
Non-polymers	434	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

4

D: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• defined by author&software
• 18.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	18,284	2
Polymers	17,850	1
Non-polymers	434	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

5

E: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• defined by author&software
• 18.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	18,284	2
Polymers	17,850	1
Non-polymers	434	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

6

E: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• defined by author&software
• 18.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	18,284	2
Polymers	17,850	1
Non-polymers	434	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

7

F: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• defined by author&software
• 18.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	18,284	2
Polymers	17,850	1
Non-polymers	434	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

8

G: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• defined by author&software
• 18.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	18,284	2
Polymers	17,850	1
Non-polymers	434	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

9

H: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• defined by author&software
• 18.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	18,284	2
Polymers	17,850	1
Non-polymers	434	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

10

I: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• defined by author&software
• 18.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	18,284	2
Polymers	17,850	1
Non-polymers	434	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

11

J: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• defined by author&software
• 18.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	18,284	2
Polymers	17,850	1
Non-polymers	434	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

12

K: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• defined by author&software
• 18.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	18,284	2
Polymers	17,850	1
Non-polymers	434	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

13

L: Induced myeloid leukemia cell differentiation protein Mcl-1

hetero molecules

Summary:

• defined by author&software
• 18.3 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	18,284	2
Polymers	17,850	1
Non-polymers	434	1
Water	18	1

Symmetry operations:

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

Calculated values:

Method	PISA

Unit cell

Length a, b, c (Å)	62.722, 134.405, 135.332
Angle α, β, γ (deg.)	90.00, 100.27, 90.00
Int Tables number	4
Space group name H-M	P1211

Components

#1: Protein

A B C D E F G H I J K L
Induced myeloid leukemia cell differentiation protein Mcl-1 / Bcl-2-like protein 3 / Bcl2-L-3 / Bcl-2-related protein EAT/mcl1 / mcl1/EAT

Details:

Mass: 17850.281 Da / Num. of mol.: 12 / Fragment: unp residues 172-327
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MCL1, BCL2L3 / Production host: Escherichia coli (E. coli) / References: UniProt: Q07820

#2: Chemical

A-400 B-400 C-400 D-400 E-400 F-400 G-400 H-400 I-400 J-400 K-400 L-400
ChemComp-4M7 / (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide

Details:

Mass: 433.519 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₂₅H₂₃NO₄S

#3: Water

ChemComp-HOH / water

Details:

Mass: 18.015 Da / Num. of mol.: 347 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

• Experiment: Method: X-RAY DIFFRACTION

Sample preparation

• Crystal: Density Matthews: 2.62 ų/Da / Density % sol: 53.06 %
• Crystal grow: Temperature: 291 K / Method: evaporation / Details: PEG 3350, magnesium chloride, Bis-Tris / PH range: 6.0 - 8.0

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.97856 Å
• Detector: Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Aug 10, 2012
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.97856 Å / Relative weight: 1
• Reflection: Resolution: 2.2→50 Å / Num. obs: 108388 / % possible obs: 96.6 % / Redundancy: 3.6 % / R_merge(I) obs: 0.049 / R_sym value: 0.041 / Net I/av σ(I): 25.6 / Net I/σ(I): 29.8
• Reflection shell: Resolution: 2.2→2.24 Å / Redundancy: 2.6 % / R_merge(I) obs: 0.35 / Mean I/σ(I) obs: 2.1 / % possible all: 91.9

Processing

Software

Name	Version	Classification
PHENIX	dev_1951	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.2→29.998 Å / SU ML: 0.29 / Cross valid method: THROUGHOUT / σ(F): 1.41 / Phase error: 23.97 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.2316	2017	1.87 %
Rwork	0.1827	-	-
obs	0.1836	107925	96.6 %

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

Refinement step

Cycle: LAST / Resolution: 2.2→29.998 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	14470	0	372	347	15189

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.009	15127
X-RAY DIFFRACTION	f_angle_d	1.333	20375
X-RAY DIFFRACTION	f_dihedral_angle_d	17.564	5637
X-RAY DIFFRACTION	f_chiral_restr	0.066	2217
X-RAY DIFFRACTION	f_plane_restr	0.008	2566

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
2.2-2.255	0.337	153	0.2819	7175	X-RAY DIFFRACTION	92
2.255-2.316	0.3029	136	0.2572	7253	X-RAY DIFFRACTION	93
2.316-2.3841	0.2926	140	0.2369	7356	X-RAY DIFFRACTION	94
2.3841-2.461	0.277	139	0.2246	7328	X-RAY DIFFRACTION	94
2.461-2.5489	0.2812	143	0.2225	7443	X-RAY DIFFRACTION	95
2.5489-2.6509	0.298	134	0.2124	7544	X-RAY DIFFRACTION	96
2.6509-2.7715	0.251	140	0.2123	7501	X-RAY DIFFRACTION	96
2.7715-2.9175	0.2645	141	0.2152	7638	X-RAY DIFFRACTION	97
2.9175-3.1001	0.2781	151	0.2164	7683	X-RAY DIFFRACTION	98
3.1001-3.3392	0.2515	141	0.2005	7707	X-RAY DIFFRACTION	99
3.3392-3.6747	0.2457	153	0.195	7789	X-RAY DIFFRACTION	99
3.6747-4.2052	0.202	146	0.1576	7814	X-RAY DIFFRACTION	99
4.2052-5.2933	0.1976	151	0.1429	7824	X-RAY DIFFRACTION	100
5.2933-30.0004	0.1731	149	0.1423	7853	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	2.5195	1.0964	0.7726	2.0377	1.0114	1.7011	-0.1013	-0.0237	-0.1282	0.1141	0.2459	-0.3064	-0.1282	0.1619	-0.0353	0.3529	0.0147	0.0035	0.3302	-0.0558	0.2891	-26.3977	11.1773	-9.0341
2	0.8857	-0.4103	-0.2457	1.8883	0.8929	1.7989	0.0292	0.0506	0.1692	-0.0521	0.0981	-0.557	-0.1536	0.3292	-0.0361	0.3827	-0.0427	0.0462	0.4245	-0.0713	0.4335	-21.6406	16.8818	-13.862
3	2.7596	0.7724	-1.5793	4.8337	-2.1593	6.0255	-0.0887	-0.4458	0.5154	0.7391	0.2731	-0.4769	-0.6905	0.1141	0.0129	0.5139	-0.1161	0.0324	0.5452	-0.1442	0.3815	-23.4212	28.4414	5.543
4	3.0508	-0.4822	0.9204	1.8554	-0.3769	1.7595	0.1274	-0.4468	0.0871	0.0864	-0.1285	-0.2299	0.3739	0.063	-0.0326	0.5865	0.0446	-0.0696	0.4423	-0.07	0.3411	-29.7364	16.819	8.2168
5	2.0593	0.8811	0.4354	2.133	-0.1228	2.7957	-0.0073	-0.1923	-0.0627	0.2763	0.0971	-0.1084	-0.1207	0.2166	-0.0057	0.3841	0.011	0.0018	0.3425	-0.0991	0.3008	-27.1661	17.9313	-0.981
6	3.0204	0.3717	-0.1751	2.7287	-0.2374	1.572	-0.1041	0.4656	0.126	-0.4703	0.1344	-0.0541	-0.2742	-0.1391	-0.0254	0.4301	0.034	0.0093	0.3196	-0.0384	0.3196	-35.4784	20.3784	-16.5885
7	1.5143	-0.2801	0.2164	2.8122	-1.119	2.0921	0.2032	0.2596	-0.2268	-0.3339	-0.3895	0.157	0.1068	-0.0485	-0.0572	0.3311	-0.0221	0.0056	0.4017	-0.0968	0.2955	-21.5593	-3.5142	-38.3569
8	0.1756	0.3081	-0.4284	0.5225	-0.6075	1.3777	-0.3516	0.0036	0.1719	0.2406	-0.0242	0.3434	0.2902	0.0733	-0.0788	0.7959	-0.0092	-0.1745	0.6603	-0.0795	0.5976	-29.7781	-7.2597	-40.9442
9	2.2267	0.6027	-0.1759	3.9722	-0.4378	2.2161	-0.1926	0.0066	0.2713	-0.1226	0.316	0.5755	-0.3789	-0.6368	-0.0763	0.3494	0.0079	-0.0179	0.4985	-0.1102	0.363	-28.7062	5.4311	-34.8719
10	6.8185	-2.2594	-2.6664	4.0459	1.9878	1.8332	0.4147	0.3658	0.711	-0.4114	-0.3121	0.0773	-0.9488	0.0565	-0.0584	0.5932	-0.0091	0.0145	0.3923	-0.0045	0.454	-14.5294	17.409	-44.4096
11	1.3374	-0.173	0.0591	1.304	0.39	4.427	-0.0773	0.2606	-0.0014	-0.3362	-0.0744	-0.3419	-0.2079	0.375	-0.028	0.4563	-0.0975	0.1166	0.3956	-0.0313	0.394	-7.2579	6.2426	-44.9448
12	2.0043	-0.4674	-0.642	1.8736	-0.5592	3.3359	0.0798	0.1761	0.0978	-0.3128	-0.0387	-0.1653	-0.195	0.2216	-0.004	0.3475	-0.0529	0.0305	0.3323	-0.0615	0.2908	-15.4618	4.2114	-38.3094
13	3.8015	-1.343	-0.0194	2.7527	0.6906	1.1713	-0.1247	-0.8662	0.0814	0.2238	-0.0594	0.3234	0.0887	-0.0267	-0.0091	0.2915	-0.0149	0.0217	0.4161	-0.093	0.3226	-25.6767	2.4754	-24.749
14	1.3598	0.5168	0.657	2.6865	1.5583	2.7915	0.0716	0.0221	0.2096	-0.0191	-0.198	0.2515	-0.2375	-0.6175	0.0927	0.3753	0.1202	-0.0518	0.3958	-0.0654	0.3686	-6.8668	14.3056	-68.9731
15	0.009	0.047	-0.0129	0.3234	0.0091	0.0116	-0.1936	0.1054	0.2632	-0.1728	-0.1115	0.8245	-0.5974	-0.0781	0.0436	0.5379	0.2072	-0.0394	0.9594	-0.0939	0.7982	-16.9645	14.2795	-72.6039
16	1.0462	0.366	-0.0837	1.3415	-0.6168	2.1457	-0.1287	0.2745	0.0282	-0.4656	-0.059	0.0122	0.055	-0.4627	-0.014	0.3811	0.0436	-0.0398	0.4121	-0.0144	0.3428	-2.4963	7.5562	-80.3489
17	0.9051	-0.5367	0.968	2.2441	0.6291	2.1302	-0.0846	-0.09	-0.1971	-0.0067	-0.1415	-0.1533	0.0765	-0.2308	-0.0067	0.3414	0.009	0.0485	0.3272	-0.0074	0.3589	1.3068	2.6561	-71.3664
18	3.019	2.5912	-0.2674	5.0716	-0.2663	1.86	0.2404	-0.2836	0.152	0.4148	-0.2903	0.1145	-0.3859	-0.2688	-0.0035	0.3829	0.0316	-0.0223	0.3178	-0.018	0.3478	1.3958	11.9038	-66.7459
19	0.9174	-0.277	1.4439	0.085	-0.5321	3.3906	-0.3131	0.0894	0.5196	-0.1268	0.0519	0.264	-1.2903	-0.2048	-0.0093	0.7232	0.0006	-0.0965	0.3312	0.0345	0.4769	0.6169	23.0995	-79.7957
20	3.1683	2.0126	0.0101	2.9729	-0.0857	1.0944	0.3742	-0.6172	-0.5633	0.4926	-0.2571	-0.6034	0.2718	0.1184	-0.0296	0.323	-0.0095	-0.1381	0.3318	-0.0008	0.54	-40.9896	-19.6376	-58.7661
21	1.1592	-0.5471	0.496	1.6377	-0.0727	1.7867	0.3377	-0.2104	-0.3592	0.7988	0.0688	-1.1861	0.26	0.5232	0.0684	0.4347	0.0741	-0.2019	0.5745	-0.123	0.8499	-31.9146	-19.9025	-62.1703
22	5.6344	-0.795	-2.8182	4.1107	0.8915	4.3876	0.2135	0.3963	0.5001	-0.3918	-0.1117	-0.4131	-0.8188	0.7297	-0.1221	0.4664	-0.1108	0.0084	0.4054	0.0285	0.7307	-37.1348	0.4833	-68.2802
23	2.5165	-0.5864	0.4681	2.0237	-0.7214	0.6132	0.0106	-0.0547	0.2936	-0.0508	0.0902	-0.4083	-0.313	-0.0231	0.0139	0.273	-0.0373	0.0098	0.3218	-0.0388	0.4645	-43.8827	-6.8216	-65.1849
24	2.1429	2.0469	1.6198	4.4298	2.9115	4.2691	0.2742	-0.6816	0.0479	0.5939	-0.6105	0.0445	0.3499	-0.6023	-0.0048	0.3428	0.0091	-0.0418	0.347	-0.0485	0.4481	-45.614	-10.7703	-58.2664
25	2.9101	0.7953	-0.2384	1.4789	-0.1673	1.9009	0.1503	0.4995	-0.7929	-0.0198	-0.0925	-0.3671	0.3386	0.1594	0.0073	0.2542	0.0176	-0.0479	0.4222	-0.1575	0.6034	-41.6371	-25.0175	-72.7307
26	1.2426	0.603	-0.4308	3.4181	-1.4194	2.4586	0.1435	-0.4307	0.0621	0.6048	-0.1091	0.3841	-0.1953	-0.3852	-0.0749	0.4237	-0.0316	0.0705	0.5524	-0.0823	0.3449	-53.8321	5.0754	2.1901
27	0.8042	0.5064	0.1428	2.858	-0.3756	0.5143	-0.1954	-0.4843	0.5726	0.3886	-0.351	0.3609	-0.2216	-0.3743	0.0062	0.7948	0.1105	0.3183	0.6087	-0.0419	0.7911	-61.8105	9.5461	3.485
28	2.1061	-0.6248	0.3533	4.5508	-0.4788	1.6737	0.0149	-0.2445	-0.2909	0.2727	0.1868	0.6581	0.1069	-1.0516	-0.1085	0.4294	-0.098	0.105	0.7036	-0.1033	0.4901	-60.7837	-3.5796	-1.5982
29	1.9348	-0.1379	-0.3357	1.7163	-0.2123	2.2864	0.0974	-0.6417	-0.3009	0.2637	-0.0369	0.3077	0.29	-0.0383	0.0203	0.6362	0.0181	0.007	0.5174	0.0405	0.3799	-42.8243	-8.999	8.6997
30	1.986	0.1699	0.8777	1.5326	-0.5133	3.1213	0.02	-0.517	-0.1659	0.4565	0.2121	0.1496	0.0409	-0.0612	0	0.5	-0.032	0.0571	0.4707	0.0098	0.3225	-48.0482	-3.3535	4.5972
31	5.891	0.1451	-1.0187	7.6759	-0.0106	3.9393	-0.0415	0.3564	-0.2001	-0.1291	-0.0193	0.3198	-0.0094	-0.4439	-0.0253	0.3275	-0.0119	0.0297	0.4552	-0.0622	0.2884	-46.6026	1.4518	-13.0445
32	1.5972	0.2525	0.3429	1.9589	0.3903	1.7519	-0.1617	0.2782	-0.018	0.0375	0.3433	0.2572	0.0314	-0.2871	0.0208	0.3499	-0.0516	-0.0087	0.4673	-0.0506	0.3542	-58.6309	-1.4387	-10.7561
33	7.8186	0.4016	-0.0607	1.2669	0.2357	0.872	0.0721	0.4052	0.2805	-0.067	-0.4675	0.3882	0.1446	-0.3501	-0.054	0.2562	0.0282	0.0233	0.443	-0.1678	0.4124	-8.0503	-22.8953	-68.9493
34	2.2	-0.8152	0.4802	2.128	0.8758	1.4759	0.3333	0.5398	0.2461	-0.2398	-0.401	0.6855	0.3282	-0.567	-0.0546	0.3607	-0.0483	0.0271	0.7333	-0.3275	0.6443	-14.4853	-29.6613	-70.4284
35	2.9612	1.287	0.2254	2.642	0.9169	1.4136	0.0922	-0.2753	-0.2774	0.4736	-0.0777	0.5164	0.2339	-0.3729	0.7294	0.3702	-0.4985	1.3326	0.866	-0.4501	-0.2795	-17.0303	-27.0762	-48.7795
36	3.4245	-1.7641	0.6504	4.0293	-0.1219	1.6572	-0.2553	-0.3098	0.5188	0.1986	0.0552	0.1553	0.012	-0.1444	0.0263	0.5012	-0.0983	0.0849	0.4152	-0.1843	0.3906	-7.2148	-18.0634	-51.0943
37	1.0584	-0.3315	-0.6834	2.5496	0.2354	1.1453	0.1677	-0.3371	0.0878	0.7073	-0.4658	0.2819	0.7204	-0.5808	0.0219	0.2469	-0.1877	0.1836	0.5273	-0.2848	0.5053	-11.7775	-26.3478	-57.169
38	4.176	-1.9925	-1.0522	3.7423	1.2468	1.654	0.1684	-0.1517	0.451	0.2111	-0.1741	-0.4881	0.0781	-0.1561	-0.0281	0.3064	-0.0695	0.0207	0.3571	-0.116	0.3773	-2.2608	-23.5574	-61.6725
39	3.0491	0.4122	-0.4711	1.453	-1.2488	1.0833	0.3806	0.9212	-0.8515	0.1268	-0.3473	0.0384	0.7443	-0.1601	-0.0123	0.4343	-0.0873	0.0599	0.5239	-0.2604	0.5608	-4.568	-38.1058	-69.8551
40	3.0169	-1.1958	-0.9187	2.2657	0.9716	2.1152	0.0553	0.1154	0.0474	-0.0818	0.132	-0.2948	0.0167	0.5221	-0.0531	0.2979	-0.0626	0.0068	0.4155	-0.068	0.3446	5.679	-10.5677	-27.1734
41	1.5717	0.3016	0.2659	1.6507	0.4337	2.1639	0.1278	-0.2178	-0.3559	-0.0893	0.0769	-0.4087	0.406	0.5636	-0.0431	0.4589	0.07	-0.084	0.5059	-0.0697	0.4873	8.9654	-16.2735	-21.7012
42	2.3791	-0.4566	0.0895	3.3024	-0.4545	2.8253	0.1204	0.5126	-0.1169	-0.1624	0.1623	-0.404	0.3708	0.7813	0.0614	0.5129	-0.0163	0.0921	0.6337	-0.2145	0.4216	7.3512	-21.3947	-43.8556
43	1.2183	-0.2149	-2.0765	3.1643	-0.9741	4.1523	-0.5766	0.5625	-0.0109	0.0596	0.1614	-0.096	0.3451	-1.0615	0.0233	0.4392	-0.1441	0.0889	0.3931	-0.1142	0.3864	-4.9235	-19.4565	-41.0076
44	2.6376	-0.4977	-0.2069	1.8945	-0.2734	3.3321	-0.0573	0.4196	-0.1718	-0.231	0.2084	-0.2071	0.2353	0.3778	0.0082	0.3521	-0.0579	0.057	0.4105	-0.1228	0.373	4.2806	-17.3998	-34.9921
45	2.9139	-0.9321	0.7078	2.297	-0.1181	1.5103	-0.0255	-0.5216	-0.3513	0.5069	0.1607	0.0999	0.2812	-0.083	-0.0445	0.4416	-0.0969	0.0012	0.3511	0.0205	0.3478	-4.995	-18.7154	-20.2628
46	5.7087	0.3717	1.3935	1.2524	0.1685	1.4837	0.1877	0.7949	-0.3834	-0.3207	0.0407	-0.1592	-0.0097	0.369	-0.0175	0.5225	-0.0023	0.0694	0.3945	0.0184	0.3644	-22.2864	-41.937	-32.6769
47	0.295	0.1828	0.0987	0.2335	0.1402	0.0565	-0.1013	0.6703	-0.014	-0.1864	-0.0898	-0.116	0.3329	-0.5785	-0.0138	0.8787	-0.0525	0.1302	1.4215	-0.1876	0.6206	-17.4617	-42.2409	-40.4601
48	3.8884	-0.9908	0.4383	2.292	-0.7914	2.6985	0.7593	1.1645	0.9578	-0.126	-0.7016	-0.6735	-0.1306	0.7651	0.0055	0.6966	-0.1033	0.3004	0.5401	0.1783	0.544	-17.8673	-31.3139	-31.2038
49	3.2472	0.9316	0.3004	4.1284	0.2456	2.6284	-0.0891	-0.5729	-0.6213	0.0717	0.2639	-0.3899	0.0587	0.5851	-0.0702	0.5752	-0.0235	-0.0208	0.5517	0.0613	0.4406	-17.2276	-44.011	-13.3751
50	0.9422	0.3045	0.1514	1.7843	-0.1242	1.8054	0.1513	-0.0818	-0.0563	0.3016	-0.0829	-0.1364	-0.2685	0.1735	-0.0143	0.5062	-0.0648	0.0085	0.3055	0.0207	0.3187	-23.1131	-38.2964	-19.0421
51	8.0972	-4.4263	1.5395	4.7581	-0.1603	2.0438	0.2896	-0.0533	-0.822	-0.1659	-0.0723	0.0849	0.3202	0.0373	0.0179	0.5258	-0.0039	-0.0001	0.3198	0.0506	0.3828	-22.9695	-46.8378	-24.3749
52	2.7646	0.4188	-0.244	2.2678	-0.1767	2.3888	0.242	0.6904	0.4345	-0.6218	-0.2097	0.1501	-0.9468	-0.5104	-0.0366	0.7884	0.0982	0.1173	0.281	0.1152	0.3431	-31.1213	-29.7116	-31.6466
53	1.8184	0.8392	-0.3973	3.7638	-0.7783	1.6542	0.4134	-0.0059	-0.1308	0.7578	-0.5175	0.7064	-0.2697	-1.0388	-0.0113	0.4623	0.0225	0.0785	0.6979	-0.136	0.5534	-51.3036	-49.7048	-25.3579
54	1.1467	0.351	0.9253	1.0264	0.3869	1.0426	-0.4679	0.0073	0.1297	0.2198	0.0275	0.4645	-0.0512	-0.3103	0.0183	0.664	-0.0741	0.2646	1.1042	-0.2512	1.2112	-59.1866	-47.8094	-20.9023
55	1.5536	-0.1296	-0.0045	2.0603	-0.7378	1.2956	0.0839	-0.1111	-0.0076	0.0374	-0.2162	0.5546	0.3334	-0.5897	0.0066	0.4837	-0.0307	-0.0523	0.5857	-0.1216	0.5377	-48.8442	-60.8633	-32.2389
56	1.5901	0.1879	0.0243	2.8227	-0.2807	1.8472	0.0405	-0.2809	-0.3017	0.4885	-0.1876	0.2521	0.0338	-0.2343	0.0006	0.4497	-0.0045	-0.003	0.5574	-0.0368	0.4966	-48.0956	-59.3581	-27.3238
57	1.6532	0.9454	0.5422	1.798	0.4615	1.384	0.0871	0.0131	0.3952	-0.3534	-0.2769	0.912	-0.2535	-0.5196	0.0376	0.4681	0.1694	-0.1476	0.6051	-0.1175	0.5372	-51.0173	-44.9103	-39.2911
58	2.1038	-0.7693	-0.9051	2.4995	1.3278	2.5583	-0.2376	0.2333	-0.8027	-0.0575	-0.2409	0.6911	0.5311	-0.6436	0.1249	0.546	-0.0677	0.061	0.4084	-0.0779	0.7006	-19.6189	-14.5223	-101.3572
59	0.0457	0.2956	0.1433	3.185	0.7362	0.5735	-0.5048	0.2522	-0.2991	-0.3988	-0.053	0.2482	1.2715	-0.0599	0.1051	0.5666	-0.1405	0.0579	0.8953	-0.2788	1.2611	-28.7422	-16.8603	-100.4401
60	1.9946	-0.1802	0.6091	1.7478	-0.5256	0.9516	-0.6381	-1.1075	-1.0673	0.4933	0.0481	1.3008	0.2245	-0.892	-0.1329	0.8685	0.0743	0.3178	0.678	0.1659	0.9444	-20.9909	-15.4503	-89.2172
61	3.4544	0.2646	-0.5833	2.8219	0.5949	4.0825	-0.5262	-1.3969	0.5962	0.8342	0.6128	-0.4317	-0.3494	0.3606	-0.048	0.5765	0.163	-0.1089	0.6889	-0.2729	0.449	-12.773	2.8967	-88.2383
62	3.2314	-0.7607	0.0612	2.7566	-0.2368	1.9715	0.1896	-0.0521	0.3955	-0.5769	-0.0304	0.1661	0.288	-0.1483	-0.0186	0.4044	-0.0003	-0.0807	0.4788	0.0032	0.4245	-9.7129	1.3523	-101.2277
63	1.6565	-0.9861	0.0319	2.5077	-0.2807	1.792	-0.4472	-0.1277	0.1153	0.5868	0.0473	0.1535	0.431	0.2608	-0.013	0.4586	0.093	-0.0472	0.5334	-0.0138	0.3407	-12.9801	-6.8848	-92.7097
64	3.9732	-3.2113	0.4229	5.6798	-0.099	1.8803	0.2844	0.5099	0.0173	-1.1343	-0.3804	0.2819	0.1818	-0.5803	-0.0147	0.5258	0.0286	-0.0751	0.4648	-0.0461	0.4387	-16.1035	-5.1612	-103.0342
65	3.0843	0.3945	0.6257	3.264	0.0562	2.2965	-0.0362	-0.3728	-0.596	0.1741	-0.4295	-0.372	0.6234	0.0056	-0.0493	0.8376	0.2381	0.1176	0.5121	0.0669	0.4653	-5.2332	-22.2458	-98.0408
66	0.7079	-0.3786	0.5935	0.7002	0.212	1.589	-0.2093	-0.127	-0.9722	-0.0155	-0.0856	0.4507	0.7933	0.0348	0.0292	0.8634	0.1678	0.2121	0.6667	0.1859	0.7726	-14.6605	-23.4756	-90.0388
67	1.8477	-0.2205	0.2691	1.9243	0.1507	3.2506	-0.1131	-0.3909	-0.1813	-0.0448	-0.0804	-0.252	0.084	0.6854	-0.0143	0.3216	-0.0663	0.0024	0.5331	0.1882	0.4423	-45.3953	18.2035	-49.6945
68	0.0706	-0.0817	0.167	0.2783	-0.417	0.6797	-0.1892	-0.2563	0.052	0.3092	-0.0059	-0.4053	-0.2188	0.2928	0.0233	0.455	0.0521	0.0193	1.1566	0.2186	0.9506	-36.0864	19.6036	-50.1364
69	1.7065	0.0044	-0.8537	1.5561	-0.0794	2.9331	-0.0454	-0.6009	0.4644	0.7069	-0.1669	-0.2531	-0.3866	0.4031	-0.0538	0.567	-0.2459	-0.1009	0.7987	0.061	0.5634	-44.2428	27.3316	-42.1154
70	0.9126	-1.1195	0.607	4.2837	1.3412	2.6262	-0.1934	-0.582	0.1113	1.259	-0.4243	0.4043	-0.4167	-0.0284	0.0207	0.869	-0.3132	-0.0165	1.1137	0.1887	0.5943	-56.8168	16.7003	-30.2084
71	1.8374	-0.0099	1.7165	1.6821	-1.4935	2.9121	0.4566	0.2678	-0.8044	-0.1915	0.1414	-0.196	0.5757	0.3213	-0.0203	0.5174	0.0446	0.0208	0.6202	0.2356	1.0084	-55.5273	3.9463	-39.6771
72	1.5847	0.7813	-0.4729	2.5864	-0.4953	1.6394	0.0851	0.2468	-0.2247	-0.0413	-0.6937	-0.2652	-0.0993	0.1405	-0.0074	0.3548	-0.0312	0.0895	0.4573	0.0173	0.5067	-63.7095	15.4344	-43.4334
73	1.6159	-0.1136	0.0521	2.0818	0.1142	1.5888	-0.061	-0.8053	-0.5047	0.5643	-0.0421	0.1854	-0.462	0.2304	-0.0226	0.4532	-0.1081	0.0131	0.6257	0.1361	0.4368	-54.1492	20.1305	-40.0136
74	0.2121	0.2967	-0.4451	1.8358	-0.6783	2.6515	0.4193	-0.4207	-0.8619	-0.5816	-0.6374	-0.0306	0.8253	0.7662	-0.0276	0.3431	0.0055	0.0029	0.6655	0.3235	0.6685	-51.501	11.228	-46.0694
75	1.4724	-0.2788	-0.0318	1.4444	0.2502	2.1141	0.2809	-0.3502	0.366	-0.3381	-0.2792	0.1577	-0.8102	0.1517	0.0287	0.5389	-0.1256	0.0086	0.3516	-0.0005	0.446	-53.004	31.0161	-51.9191
76	0.8354	-0.0246	-0.8848	1.0013	-0.3043	4.2138	-0.1904	-0.5504	-0.3522	0.0699	-0.1268	-0.2656	0.0259	1.038	-0.0142	0.6754	0.0956	0.0536	0.495	0.0269	0.4618	-17.1055	-18.5751	16.2643
77	1.1841	-0.1641	0.5586	0.733	0.1853	0.5192	-0.4574	-0.5132	-0.3436	0.9415	0.4149	-0.3311	0.1833	0.4704	0.099	0.8889	0.2132	-0.0656	1.2863	0.1273	0.7208	-7.5691	-19.3976	16.4485
78	1.7575	-0.1772	-0.9141	2.815	-0.4676	1.7992	-0.2399	0.1565	-0.4984	-0.1081	-0.1199	-0.6221	0.1549	0.3816	-0.0215	0.7511	0.1128	0.1053	0.5211	0.0095	0.6246	-15.1332	-27.4173	8.1997
79	2.9303	-0.8811	0.1765	4.0321	0.9874	2.962	0.2088	1.0674	0.0052	-0.6438	-0.2979	-0.377	-0.0255	0.2115	-0.0373	0.8219	0.0618	0.0251	0.8714	-0.0102	0.377	-25.7716	-15.4716	-4.7732
80	2.9555	0.2356	-0.4835	2.8062	0.0598	2.4093	0.1941	0.2245	0.3292	0.0218	0.0082	-0.3617	0.0499	0.3717	-0.0076	0.6186	0.0615	-0.0297	0.4525	0.0187	0.4108	-28.8458	-8.1634	6.0557
81	1.8004	-0.3112	-0.6975	2.5508	-0.5361	2.2328	0.1119	0.4357	0.1626	-0.164	-0.1982	0.1552	0.1834	0.0029	-0.0138	0.6793	0.0655	0.0457	0.4611	-0.0232	0.4249	-23.2772	-17.696	4.7781
82	3.0478	0.9462	-0.9577	4.1986	-1.4578	2.8497	0.0104	-0.2628	0.0388	0.6311	-0.1645	0.085	-0.0683	0.1502	-0.0471	0.6186	0.0597	0.0232	0.4066	-0.0183	0.4464	-25.8239	-17.0572	15.2509
83	2.4495	1.6767	0.69	1.4163	0.1457	5.3958	-0.6647	-0.6317	-0.8838	0.4656	-0.0914	0.1472	0.9061	0.5706	0.0063	0.962	0.1394	0.1736	0.3893	0.1268	0.5661	-21.5742	-33.381	14.7088

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 171 through 190 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 191 through 223 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 224 through 235 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 236 through 254 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 255 through 301 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 302 through 323 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 171 through 190 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 191 through 202 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 203 through 223 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 224 through 235 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 236 through 254 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 255 through 308 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 309 through 321 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 171 through 190 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 191 through 203 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 204 through 235 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 236 through 283 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 284 through 308 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 309 through 322 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 171 through 191 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 192 through 223 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 224 through 235 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 236 through 280 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 281 through 301 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 302 through 321 )
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 171 through 191 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 192 through 202 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 203 through 223 )
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 224 through 254 )
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 255 through 301 )
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 302 through 310 )
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 311 through 321 )
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 171 through 191 )
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 192 through 223 )
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 224 through 235 )
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 236 through 254 )
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 255 through 283 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 284 through 308 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 309 through 321 )
40	X-RAY DIFFRACTION	40	chain 'G' and (resid 171 through 191 )
41	X-RAY DIFFRACTION	41	chain 'G' and (resid 192 through 223 )
42	X-RAY DIFFRACTION	42	chain 'G' and (resid 224 through 246 )
43	X-RAY DIFFRACTION	43	chain 'G' and (resid 247 through 254 )
44	X-RAY DIFFRACTION	44	chain 'G' and (resid 255 through 301 )
45	X-RAY DIFFRACTION	45	chain 'G' and (resid 302 through 321 )
46	X-RAY DIFFRACTION	46	chain 'H' and (resid 171 through 191 )
47	X-RAY DIFFRACTION	47	chain 'H' and (resid 192 through 202 )
48	X-RAY DIFFRACTION	48	chain 'H' and (resid 203 through 223 )
49	X-RAY DIFFRACTION	49	chain 'H' and (resid 224 through 246 )
50	X-RAY DIFFRACTION	50	chain 'H' and (resid 247 through 281 )
51	X-RAY DIFFRACTION	51	chain 'H' and (resid 282 through 301 )
52	X-RAY DIFFRACTION	52	chain 'H' and (resid 302 through 321 )
53	X-RAY DIFFRACTION	53	chain 'I' and (resid 171 through 190 )
54	X-RAY DIFFRACTION	54	chain 'I' and (resid 191 through 202 )
55	X-RAY DIFFRACTION	55	chain 'I' and (resid 203 through 260 )
56	X-RAY DIFFRACTION	56	chain 'I' and (resid 261 through 301 )
57	X-RAY DIFFRACTION	57	chain 'I' and (resid 302 through 321 )
58	X-RAY DIFFRACTION	58	chain 'J' and (resid 171 through 190 )
59	X-RAY DIFFRACTION	59	chain 'J' and (resid 191 through 203 )
60	X-RAY DIFFRACTION	60	chain 'J' and (resid 204 through 223 )
61	X-RAY DIFFRACTION	61	chain 'J' and (resid 224 through 235 )
62	X-RAY DIFFRACTION	62	chain 'J' and (resid 236 through 254 )
63	X-RAY DIFFRACTION	63	chain 'J' and (resid 255 through 280 )
64	X-RAY DIFFRACTION	64	chain 'J' and (resid 281 through 301 )
65	X-RAY DIFFRACTION	65	chain 'J' and (resid 302 through 310 )
66	X-RAY DIFFRACTION	66	chain 'J' and (resid 311 through 321 )
67	X-RAY DIFFRACTION	67	chain 'K' and (resid 171 through 191 )
68	X-RAY DIFFRACTION	68	chain 'K' and (resid 192 through 202 )
69	X-RAY DIFFRACTION	69	chain 'K' and (resid 203 through 223 )
70	X-RAY DIFFRACTION	70	chain 'K' and (resid 224 through 235 )
71	X-RAY DIFFRACTION	71	chain 'K' and (resid 236 through 246 )
72	X-RAY DIFFRACTION	72	chain 'K' and (resid 247 through 254 )
73	X-RAY DIFFRACTION	73	chain 'K' and (resid 255 through 280 )
74	X-RAY DIFFRACTION	74	chain 'K' and (resid 281 through 301 )
75	X-RAY DIFFRACTION	75	chain 'K' and (resid 302 through 321 )
76	X-RAY DIFFRACTION	76	chain 'L' and (resid 171 through 190 )
77	X-RAY DIFFRACTION	77	chain 'L' and (resid 191 through 202 )
78	X-RAY DIFFRACTION	78	chain 'L' and (resid 203 through 223 )
79	X-RAY DIFFRACTION	79	chain 'L' and (resid 224 through 235 )
80	X-RAY DIFFRACTION	80	chain 'L' and (resid 236 through 254 )
81	X-RAY DIFFRACTION	81	chain 'L' and (resid 255 through 283 )
82	X-RAY DIFFRACTION	82	chain 'L' and (resid 284 through 308 )
83	X-RAY DIFFRACTION	83	chain 'L' and (resid 309 through 321 )