PDB-5gm2: Crystal structure of methyltransferase TleD complexed with SAH an...

Basic information

• Entry: Database: PDB / ID: 5gm2
• Title: Crystal structure of methyltransferase TleD complexed with SAH and teleocidin A1
• Components: O-methylransferase
• Keywords: TRANSFERASE / TleD / Teleocidin / methyltransferases / terpene cyclization

Function / homology

Function:

methyltransferase activity

Domain/homology:

Methyltransferase type 11 / Methyltransferase domain / Vaccinia Virus protein VP39 / S-adenosyl-L-methionine-dependent methyltransferase superfamily / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta

Component:

S-ADENOSYL-L-HOMOCYSTEINE / Chem-TEX / O-methylransferase

• Biological species: Streptomyces blastmyceticus (bacteria)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.8 Å
• Authors: Yu, F. / Li, M.J. / Xu, C.Y. / Zhou, H. / Sun, B. / Wang, Z.J. / Xu, Q. / Xie, M.Y. / Zuo, G. / Huang, P. / Wang, Q.S. / He, J.H.
• Citation: Journal: Biochem.J. / Year: 2016; Title: Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD; Authors: Yu, F. / Li, M.J. / Xu, C.Y. / Sun, B. / Zhou, H. / Wang, Z.J. / Xu, Q. / Xie, M.Y. / Zuo, G. / Huang, P. / Guo, H. / Wang, Q.S. / He, J.H.

History

Deposition	Jul 12, 2016	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Sep 28, 2016	Provider: repository / Type: Initial release
Revision 1.1	Dec 7, 2016	Group: Database references
Revision 1.2	Mar 20, 2024	Group: Data collection / Database references Category: chem_comp_atom / chem_comp_bond / citation / database_2 Item: _citation.journal_id_CSD / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Assembly

Deposited unit

A: O-methylransferase

B: O-methylransferase

C: O-methylransferase

D: O-methylransferase

E: O-methylransferase

F: O-methylransferase

G: O-methylransferase

H: O-methylransferase

I: O-methylransferase

J: O-methylransferase

K: O-methylransferase

L: O-methylransferase

M: O-methylransferase

N: O-methylransferase

O: O-methylransferase

P: O-methylransferase

Q: O-methylransferase

R: O-methylransferase

hetero molecules

Summary:

• 606 kDa, 18 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	605,612	54
Polymers	590,816	18
Non-polymers	14,797	36
Water	2,990	166

1

A: O-methylransferase

B: O-methylransferase

C: O-methylransferase

D: O-methylransferase

E: O-methylransferase

F: O-methylransferase

hetero molecules

Summary:

• defined by author
• 202 kDa, 6 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	201,871	18
Polymers	196,939	6
Non-polymers	4,932	12
Water	108	6

Symmetry operations:

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

2

G: O-methylransferase

H: O-methylransferase

I: O-methylransferase

J: O-methylransferase

K: O-methylransferase

L: O-methylransferase

hetero molecules

Summary:

• defined by author
• 202 kDa, 6 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	201,871	18
Polymers	196,939	6
Non-polymers	4,932	12
Water	108	6

Symmetry operations:

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

3

M: O-methylransferase

N: O-methylransferase

O: O-methylransferase

P: O-methylransferase

Q: O-methylransferase

R: O-methylransferase

hetero molecules

Summary:

• defined by author
• 202 kDa, 6 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	201,871	18
Polymers	196,939	6
Non-polymers	4,932	12
Water	108	6

Symmetry operations:

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

Unit cell

Length a, b, c (Å)	257.459, 152.757, 154.171
Angle α, β, γ (deg.)	90.00, 93.06, 90.00
Int Tables number	5
Space group name H-M	C121

Components

#1: Protein

A B C D E F G H I J K L M N O P Q R
O-methylransferase / Methyltransferase TleD

Details:

Mass: 32823.102 Da / Num. of mol.: 18
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Streptomyces blastmyceticus (bacteria) / Gene: tleD / Production host: Escherichia coli (E. coli) / References: UniProt: A0A077K7L1

#2: Chemical

A-301 B-301 C-301 D-301 E-301 F-301 G-301 H-301 I-301 J-301 K-301 L-301 M-301 N-301 O-301 P-301 Q-301 R-301
ChemComp-SAH / S-ADENOSYL-L-HOMOCYSTEINE

Details:

Type: L-peptide linking / Mass: 384.411 Da / Num. of mol.: 18
Source method: isolated from a genetically manipulated source
Formula: C₁₄H₂₀N₆O₅S

#3: Chemical

A-302 B-302 C-302 D-302 E-302 F-302 G-302 H-302 I-302 J-302 K-302 L-302 M-302 N-302 O-302 P-302 Q-302 R-302
ChemComp-TEX / (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one / Teleocidin A 1

Details:

Mass: 437.617 Da / Num. of mol.: 18
Source method: isolated from a genetically manipulated source
Formula: C₂₇H₃₉N₃O₂ / Comment: toxin*YM

#4: Water

ChemComp-HOH / water

Details:

Mass: 18.015 Da / Num. of mol.: 166 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.53 ų/Da / Density % sol: 51.43 %
• Crystal grow: Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 8 ; Details: 100 mM Tris-HCl, 18% PEG400, 14% PEG3350, 100 mM MgCl2, 2mM TCEP

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.97915 Å
• Detector: Type: ADSC QUANTUM 315r / Detector: CCD / Date: May 7, 2015
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.97915 Å / Relative weight: 1
• Reflection: Resolution: 2.8→153.95 Å / Num. obs: 146088 / % possible obs: 99.8 % / Redundancy: 4.7 % / CC_1/2: 0.999 / R_merge(I) obs: 0.072 / Net I/σ(I): 16.5
• Reflection shell: Resolution: 2.8→2.95 Å / Redundancy: 4.8 % / R_merge(I) obs: 0.484 / Mean I/σ(I) obs: 3.3 / CC_1/2: 0.846 / % possible all: 100

Processing

Software

Name	Version	Classification
PHENIX	(1.10.1_2155: ???)	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.8→153.95 Å / SU ML: 0.4 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 27.09

	Rfactor	Num. reflection	% reflection
Rfree	0.2487	7109	4.87 %
Rwork	0.2066	-	-
obs	0.2086	146088	99.78 %

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Refinement step

Cycle: LAST / Resolution: 2.8→153.95 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	38443	0	576	166	39185

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	39893
X-RAY DIFFRACTION	f_angle_d	0.713	54234
X-RAY DIFFRACTION	f_dihedral_angle_d	14.886	24501
X-RAY DIFFRACTION	f_chiral_restr	0.052	6113
X-RAY DIFFRACTION	f_plane_restr	0.004	6975

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	0.7599	-0.3247	0.5963	2.4066	1.0616	2.1413	0.0639	0.0157	-0.2414	0.1204	-0.051	0.6771	0.5351	-0.242	-0.0384	0.7912	0.0348	-0.1882	0.1739	0.0675	1.0193	-95.5389	36.062	72.8158
2	0.4452	0.4194	-0.1622	1.3263	-0.1192	0.3179	-0.0299	-0.0256	-0.158	-0.0856	0.0336	-0.1787	0.0827	0.0256	0.1034	0.5315	0.0078	-0.0546	0.0405	-0.033	0.6837	-85.1628	59.4709	74.9179
3	0.2904	-0.0268	0.0108	1.3368	-0.095	0.3283	0.0493	-0.0246	-0.0935	0.0128	-0.0071	-0.218	-0.039	0.0582	-0.0561	0.4964	-0.0062	-0.0863	0.1136	-0.0643	0.679	-81.6798	73.0859	76.291
4	0.2786	-0.0981	-0.2249	0.3708	-0.2044	0.4142	0.1385	-0.0273	0.2758	-0.1581	0.0026	-0.0128	-0.3322	-0.0035	-0.183	0.687	0.0576	-0.0725	0.1532	-0.1302	0.7661	-87.0091	80.3843	76.0334
5	0.8763	-0.0207	0.0188	0.8379	-0.7244	0.6273	0.14	0.1242	0.3184	-0.3726	-0.0574	0.0056	-0.0986	-0.0502	-0.0978	0.7854	0.1019	-0.093	0.1363	-0.0308	0.6909	-83.2004	74.6724	62.3105
6	7.3409	0.0611	-4.2235	2.8523	-0.5661	8.4168	0.4054	1.0714	0.0004	-0.9188	-0.0947	0.7195	0.069	-0.4681	-0.3202	0.9985	0.1851	-0.5099	0.5107	-0.1233	0.8919	-100.4032	64.4869	51.9214
7	0.5084	-0.6328	0.0617	2.0898	-0.8251	0.4382	0.1026	0.2055	0.1723	-0.6125	-0.1493	-0.095	0.0245	-0.0723	0.1136	0.9186	0.1416	-0.105	0.213	-0.0117	0.707	-83.3774	68.7893	55.1317
8	0.8042	-0.3369	-0.6316	4.314	-0.0714	1.3101	0.134	0.0074	0.0221	0.3007	-0.0389	0.735	-0.217	-0.1477	0.1024	0.7165	-0.0619	-0.2043	0.1735	-0.0528	0.8833	-103.1551	57.9912	70.5557
9	2.2287	0.6494	-0.3499	1.4519	-0.2174	0.4601	-0.1845	0.0888	-0.1001	-0.6748	0.0496	0.1055	-0.0172	-0.1424	0.1593	0.845	0.0899	-0.1876	0.1768	-0.0601	0.7335	-92.2737	63.3684	60.0896
10	1.3498	1.1254	-1.1742	4.5568	-3.5268	3.6445	0.1092	0.2457	0.3918	-0.6765	0.0532	0.4111	-0.3377	-0.2228	-0.1634	0.7677	0.0768	-0.2122	0.1917	0.0449	0.8318	-100.8964	72.5931	67.3743
11	0.8373	-1.1661	-0.6291	3.3913	1.4095	0.8676	0.071	0.0928	-0.1932	-0.289	-0.0407	0.2373	0.2091	-0.0403	0.0695	0.694	0.0393	-0.1866	0.1678	-0.0326	0.7053	-87.538	54.22	66.8126
12	0.3855	-0.4842	0.2968	0.6638	-0.4464	0.3347	-0.0711	0.0302	0.0908	-0.0743	-0.0388	-0.0253	-0.0777	-0.0228	0.0107	0.6752	0.0378	-0.215	0.0655	-0.047	0.8316	-84.1547	40.2456	69.3779
13	0.0358	0.1729	-0.015	1.1985	0.2734	0.3283	0.0649	-0.0292	-0.1455	-0.0424	0.0804	-0.2575	-0.0069	0.0765	-0.0102	0.7602	0.0576	-0.1802	0.1809	-0.0937	0.9717	-80.2161	26.7498	68.9706
14	0.012	-0.0434	0.0334	0.2985	-0.251	0.3148	0.0642	0.0711	-0.3204	-0.0991	0.0838	0.0377	0.3207	-0.042	-0.0168	0.8462	0.0055	-0.2338	0.195	0.0061	1.1496	-85.8978	22.0656	74.0395
15	0.5729	-0.8365	0.0581	1.2857	0.1197	0.7103	-0.0262	-0.3368	-0.6291	0.1153	0.2192	0.8695	0.4148	-0.3674	-0.3149	0.871	-0.0023	0.0003	0.4201	0.3045	1.2398	-95.7119	32.0417	87.0499
16	3.5736	1.0996	2.8111	1.8343	0.1916	3.9929	0.0864	0.1831	-0.3082	-0.1956	0.1259	1.0684	0.1751	-0.2733	-0.2377	0.7186	0.0044	-0.2319	0.2453	0.0543	1.1126	-102.4875	41.73	66.846
17	0.2657	0.0758	0.0368	2.4533	0.4784	1.0454	-0.4457	-0.0151	-0.4253	0.3069	0.142	0.849	-0.2354	-0.2357	0.1109	0.7371	0.0072	-0.0898	0.2355	0.1362	1.1081	-96.4155	36.0918	80.5115
18	2.1477	-0.1776	-0.131	1.4047	0.1992	2.2	0.2141	0.6278	0.0514	-0.7828	-0.4205	-0.5432	0.137	0.2259	0.2431	1.1966	0.216	0.2639	0.3968	0.1263	0.9165	-56.509	59.2316	47.6092
19	0.1281	-0.0991	-0.0061	0.7921	-0.0167	0.291	0.0019	-0.0276	0.4147	0.1513	-0.043	-0.1611	-0.2049	0.0349	-0.0535	0.8373	0.0658	0.0129	0.1471	-0.0626	1.2854	-53.1438	68.6099	79.8054
20	0.9257	-1.2495	-0.094	3.9358	0.3426	1.9503	-0.0256	-0.0579	0.3358	0.2186	-0.0205	0.8099	-0.6647	-0.3063	0.0394	1.1593	0.0848	0.0561	0.5155	-0.2217	2.0508	-51.2369	81.1346	83.7022
21	0.5376	0.0876	-0.0141	0.299	-0.2772	0.2692	0.0882	-0.0122	0.7533	0.0354	0.0329	-0.6413	-0.5037	0.1897	-0.1152	0.9059	0.0625	-0.0475	0.1241	-0.2213	1.8797	-38.0806	65.3657	77.1424
22	0.3958	-0.2108	0.5051	2.5285	-0.7026	0.8809	-0.0554	0.1181	0.3949	-0.4114	-0.1273	-0.5502	-0.0312	0.182	0.1553	0.8515	0.019	0.0214	0.2463	-0.1332	1.4987	-37.8365	62.7077	70.6694
23	0.983	-0.758	0.1108	1.1952	0.0511	0.9159	0.1252	0.0909	0.2385	-0.0427	-0.0654	-0.5275	-0.2753	0.1182	-0.2175	1.0568	0.1232	0.141	0.2034	0.0316	0.9512	-53.102	56.8085	60.2014
24	4.6361	-1.4211	0.6355	7.2353	-0.3929	4.7483	0.3677	0.4741	-0.7278	-1.1926	-0.0912	-0.5692	0.3914	0.4583	-0.2998	1.3562	0.3419	0.1546	0.5172	-0.1167	0.8772	-57.541	39.5135	41.9547
25	3.62	-0.018	0.1198	2.1721	0.0777	0.4964	0.1828	0.777	0.1199	-1.2406	-0.4214	-0.4242	-0.1031	0.087	0.0838	1.393	0.3104	0.1228	0.3662	0.0617	0.6905	-65.6354	59.3885	43.8894
26	3.9692	-0.439	-0.3321	2.118	-0.594	1.3616	0.1497	0.3827	0.3654	-0.8034	-0.3929	-0.4771	-0.1822	0.2929	0.2054	1.2581	0.1805	0.1615	0.3292	0.1374	0.715	-62.4945	64.578	47.0002
27	4.4697	-2.3825	-1.1164	3.9891	-0.2995	2.5276	-0.2008	-0.2811	-0.0823	-0.0386	0.4131	-0.8048	0.4691	0.3519	-0.1365	0.7447	0.1731	-0.1178	0.2765	-0.0727	0.8694	-40.1315	21.7574	89.6198
28	1.3172	-0.954	-1.4113	5.6432	0.8564	2.0014	-0.1254	-0.3699	0.3181	0.1491	0.5346	-0.4858	-0.0618	0.1416	-0.3816	0.663	0.096	-0.1643	0.235	-0.1233	0.691	-53.2615	40.121	90.5458
29	2.1459	-1.0255	0.1279	0.8908	-0.2522	0.2332	0.2538	0.024	0.2305	-0.1743	0.0035	-0.2021	-0.0757	0.08	-0.1417	0.7618	0.1752	-0.1551	0.2841	-0.1969	0.6597	-65.0886	47.2597	95.7205
30	0.7083	-0.2775	0.0002	1.2475	-0.5732	0.6277	-0.1126	-0.3646	0.4276	0.519	0.3232	-0.1753	-0.0265	0.0497	-0.1689	1.1603	0.4376	-0.2288	0.5074	-0.1717	0.678	-74.7255	55.9841	101.2315
31	2.3339	2.1088	1.2619	2.6163	0.3713	2.4285	-0.182	-0.7237	0.6382	1.0583	0.3232	-0.0636	-0.5514	-0.0207	-0.169	1.409	0.4643	-0.2029	0.7616	-0.2894	0.7632	-73.0901	57.264	111.1589
32	3.2918	1.7752	0.9307	2.6177	-1.7946	3.4457	0.0625	-0.4435	0.3032	0.3238	-0.073	-0.0976	-0.4152	-0.6309	-0.0097	0.9004	0.3133	0.0065	0.5412	0.0121	0.5758	-84.5724	47.4524	103.7817
33	8.4629	-0.5585	6.502	6.9282	-1.5531	9.3423	0.3042	-0.6796	-0.4718	0.4576	-0.0327	0.1203	1.1206	-0.3658	-0.2803	1.1826	0.3738	0.066	0.8495	0.186	0.632	-74.8232	25.2437	110.4147
34	1.5632	-0.0012	-0.3649	1.2507	0.1881	0.5493	-0.2252	-0.8882	-0.6711	0.5691	0.4034	0.2258	0.4717	0.0943	-0.2205	0.8085	0.3461	0.0715	0.5801	0.2294	0.7574	-83.8708	36.3557	99.5902
35	3.92	1.0278	3.5831	0.3259	1.4306	7.5701	0.2425	-0.5728	-0.2543	0.6304	0.3811	-0.4044	0.1701	0.0896	-0.6184	1.0581	0.3618	-0.1959	0.5314	-0.0177	0.7008	-58.1238	36.2051	109.0633
36	0.6124	0.799	0.321	1.6855	1.1562	1.0131	0.2802	-0.4615	-0.5145	0.6508	0.2691	0.1605	0.4433	0.2227	-0.485	0.9782	0.3088	-0.0073	0.5471	0.1861	0.6583	-72.3337	33.8472	103.9248
37	4.4655	2.3004	-1.1174	4.3764	-0.3453	3.6297	0.0894	-0.7793	0.3385	0.8414	-0.0775	-0.1106	0.2318	0.225	-0.0459	1.2119	0.372	-0.218	0.793	-0.1394	0.6479	-69.2794	42.0458	116.0068
38	2.9088	0.3456	1.1675	4.2289	1.9213	4.1605	-0.437	-0.3855	-0.0754	0.2849	0.2528	-0.0386	-0.2039	-0.0465	0.2066	0.7552	0.2115	-0.118	0.2642	0.0579	0.6826	-65.4127	37.407	94.2977
39	0.0852	0.084	-0.1102	1.3647	-1.4691	1.5879	0.1587	-0.0067	0.1169	0.1944	0.284	0.2576	-0.3393	-0.1088	-0.3113	0.5745	0.0453	-0.0673	0.1192	-0.0297	0.6358	-56.3505	34.0692	83.1661
40	0.4286	0.1757	-0.0714	0.1039	0.099	0.5339	0.141	0.0136	0.1971	-0.1759	0.0276	-0.0668	-0.0476	-0.0313	-0.1351	0.6733	0.0096	-0.09	0.0573	-0.0311	0.6462	-49.3745	28.8323	72.0785
41	0.461	0.6056	0.0187	0.8473	-0.0743	0.2221	0.0537	-0.0105	-0.0852	-0.0958	0.0967	-0.116	-0.016	0.0039	-0.0074	0.715	0.0279	-0.1038	0.0848	-0.0242	0.7607	-45.6305	19.5909	74.264
42	0.2402	-0.1005	0.0836	0.227	-0.3118	0.4445	0.0342	0.0297	0.1007	-0.2258	0.027	-0.4401	0.1626	0.1489	-0.0806	0.597	0.0428	0.0337	0.0582	-0.081	0.9978	-37.5322	34.3663	73.8666
43	3.9891	0.0647	1.3859	3.3341	-3.2976	4.2778	-0.432	-0.2321	0.4715	0.9213	0.2768	-1.458	-0.5667	0.7153	0.1523	0.7714	0.1972	-0.3686	0.7091	-0.3737	1.5296	-32.9173	36.2608	98.4536
44	0.2414	-0.3509	-0.1535	0.5337	0.1396	0.4096	-0.0573	-0.0383	0.0633	0.2049	0.0368	-0.5341	0.0121	0.1577	0.0183	0.5708	-0.0317	-0.0971	0.1505	-0.1698	1.0262	-36.2586	42.8279	82.152
45	4.7809	0.0923	-1.7758	2.4398	-2.493	5.6428	-0.1191	-0.6087	-0.7111	0.1789	0.0189	-0.6183	0.6516	0.2195	0.0218	0.6493	0.2392	-0.2315	0.3553	-0.0177	0.6881	-50.0646	26.135	98.7816
46	1.2963	0.3593	-1.4619	2.4412	-2.2685	4.1482	0.0892	-0.3567	0.0808	0.3979	0.2984	-0.4071	-0.0034	0.3328	-0.3327	0.6274	0.0996	-0.2247	0.2409	-0.231	0.9215	-41.5436	36.451	91.6175
47	1.46	-1.179	-1.1861	2.702	-1.8994	5.63	-0.3173	0.905	0.7201	-1.0174	0.6455	-0.9336	-0.8476	0.3161	-0.2968	1.3531	-0.5769	0.3663	1.6757	-0.0055	1.0222	-26.193	16.0376	6.8755
48	2.7557	1.2298	0.371	2.4366	-0.8193	3.837	-0.6437	0.2041	0.0281	-0.3899	0.5245	0.3262	-0.9546	-0.4156	0.0986	0.668	0.101	-0.0271	0.7469	0.2626	0.5372	-38.3513	24.3286	29.7028
49	2.4189	-1.1499	1.7799	1.952	-0.7524	2.1416	-0.2782	0.0769	0.6187	-0.3212	0.3256	0.6529	-1.3037	-1.0135	0.0025	1.1557	0.4752	-0.1204	1.177	0.2722	0.8389	-47.4333	32.7984	34.5682
50	0.9874	-0.5185	0.6735	0.3282	-0.3082	0.9779	-0.421	0.8656	0.8727	-0.4782	0.0794	-0.0692	-0.9445	-0.0416	0.2726	1.7792	-0.0198	-0.1114	1.0004	0.5349	0.8536	-31.7001	38.0925	23.0751
51	3.2626	-1.251	1.6292	1.8408	-1.7586	5.2789	-0.1822	1.2906	0.6496	-0.8948	0.2963	0.3432	-0.7153	-0.1642	-0.0906	1.8187	-0.2447	-0.0906	0.9636	0.4317	0.8649	-29.5611	37.162	18.2749
52	0.8364	-0.0947	-0.8137	1.9883	-0.2443	1.1784	-0.2474	0.3956	0.5061	-0.6247	0.4019	0.2434	-0.7836	-0.2026	-0.1344	1.5894	0.0183	-0.089	1.3799	0.4094	0.6848	-35.8988	32.6279	17.9317
53	0.6743	-0.8116	0.0938	0.9752	-0.0852	0.7113	-0.174	0.2117	-0.0944	-0.3786	0.5734	-0.5725	-0.1137	0.1365	-0.2575	1.1067	-0.5793	0.5552	1.9363	-0.5409	1.1509	-13.4421	8.7311	8.5473
54	2.344	0.7766	0.2026	1.4767	0.0279	1.0766	-0.053	-0.0274	0.1102	-0.3144	-0.2173	-0.1804	0.2186	-0.0392	0.237	1.5601	-0.5053	0.3025	2.0349	-0.7272	1.7375	-6.3273	8.7455	-2.2951
55	0.4094	0.6167	0.4089	1.4008	0.2146	0.7561	-0.0856	0.1636	0.1293	-0.8613	0.7167	-0.6417	-0.0404	0.2189	-0.4692	1.3868	-0.6645	0.4788	1.9643	-0.5327	0.9275	-22.6069	-0.1076	-2.1985
56	1.6622	-0.2844	0.0666	1.8542	-0.4086	1.0536	-0.0669	0.7533	0.1825	-0.4299	0.2713	-0.045	-0.6343	-0.0084	-0.1223	1.5414	-0.6615	0.2411	1.6772	-0.0886	0.6388	-28.8135	10.0033	0.0377
57	6.0216	1.8517	3.1529	3.8849	1.7992	2.6299	-0.3009	1.0003	0.5322	0.1179	0.2605	-0.5407	-0.4295	1.2549	-0.026	0.8634	-0.2232	0.0164	0.8603	0.1045	0.707	-7.4262	24.7897	46.4117
58	3.9473	1.0172	0.4307	4.8212	1.3436	5.1266	0.0056	0.5202	0.1337	-0.3065	0.1191	-0.2328	-0.4672	0.409	-0.1989	0.1397	0.0646	-0.0757	0.282	-0.0888	0.4635	-21.4982	13.8472	50.2294
59	1.9352	0.5157	-0.1061	1.3398	0.4722	3.2561	0.0261	0.3119	-0.0284	-0.0479	0.0525	0.1053	-0.0477	-0.1091	-0.1058	0.1986	0.0356	-0.105	0.1794	-0.0703	0.5067	-32.3025	6.3464	55.3101
60	2.9543	-1.6344	-0.4875	8.3858	0.7435	4.0449	0.125	-0.1484	-0.1286	0.1614	-0.1497	0.5822	0.1937	-0.5945	0.0981	0.3569	-0.024	-0.0914	0.1969	-0.0917	0.509	-35.476	5.81	63.7692
61	1.2655	0.2689	0.0485	1.6842	0.1126	2.9505	0.2217	-0.0408	-0.4349	0.4619	0.0509	-0.6641	0.5452	0.7051	-0.1768	0.5266	0.1429	-0.3085	0.3145	-0.1314	0.7618	-16.2099	-1.4655	63.798
62	2.8536	0.7585	0.3082	3.0192	0.5274	3.84	0.0415	0.0681	0.2937	0.3437	0.0267	-0.424	-0.3063	0.8425	-0.1407	0.3329	-0.0213	-0.1593	0.435	-0.0466	0.6347	-13.6487	14.8585	60.8823
63	3.1973	2.0278	1.1387	5.4096	3.1883	4.9694	0.1252	0.0683	-0.2239	0.0582	-0.0492	-0.5538	-0.0031	0.825	-0.1252	0.343	0.0894	-0.237	0.4261	-0.0099	0.6484	-10.971	7.1493	62.1586
64	3.1529	-0.2151	-0.0256	4.9479	-0.585	0.07	-0.4682	0.9408	-0.3181	-0.3162	0.8387	-0.1883	0.4652	0.263	-0.3715	1.2707	-0.3405	0.1365	1.4111	-0.619	1.0363	-45.1706	-24.9146	25.7509
65	3.5238	1.5349	-1.32	2.6666	-0.6902	2.2421	0.249	0.1096	-0.0357	-0.0434	0.2455	-0.6936	0.045	0.574	-0.4347	0.9708	0.0581	-0	1.1849	-0.6615	0.8951	-26.0053	-13.1114	25.0113
66	2.0586	2.8209	2.4906	4.1457	3.305	3.0555	-0.058	0.1139	0.1459	-0.1624	-0.2471	0.2611	0.5827	-0.2402	0.279	1.0913	0.035	0.1763	1.482	-0.807	1.2554	-11.9523	-10.6916	29.6428
67	0.5948	-0.1781	-0.4921	2.4387	-0.857	0.8245	-0.3623	0.4012	-0.6886	-0.6949	-0.0138	-0.8682	0.9837	0.5896	0.3868	1.2364	0.5544	0.3015	1.947	-0.7564	1.6192	4.5294	-11.4969	35.5623
68	1.6243	0.1181	-0.9832	3.8283	0.4355	2.5445	-0.1524	0.2269	-1.4278	-0.0633	0.1508	-0.9297	1.4123	0.7594	0.0007	1.2432	0.6184	-0.1339	1.0522	-0.392	1.3282	-8.6241	-18.0601	49.7243
69	1.0628	-0.0326	-1.4893	3.5045	0.3016	2.2874	-0.1291	0.5633	-1.0244	-0.3746	0.1509	-0.3953	1.2594	0.3979	0.0845	1.2431	0.4795	-0.0965	0.9227	-0.5805	1.2876	-14.2309	-23.9967	38.2131
70	2.2217	0.7607	0.2081	1.2893	-0.1845	6.3221	-0.12	-0.032	-0.3251	0.0865	-0.0638	-0.2701	0.0484	0.7642	0.2659	0.3758	0.0109	-0.1318	0.3955	-0.0921	0.6133	-16.6197	10.1719	64.1953
71	1.9215	-0.5548	-0.0053	1.8559	0.4137	1.6501	-0.0691	0.988	-0.1171	-0.7775	0.3407	-1.0643	-0.4418	0.9885	-0.2625	0.6701	-0.3347	0.2161	1.7586	-0.0659	0.8818	-1.2034	20.4769	32.8728
72	2.9522	-0.7291	-0.3944	1.6432	-0.3415	2.6119	-0.3663	0.8466	0.7647	-0.7148	0.3666	-1.2884	-0.6908	1.7783	0.0796	1.2005	-0.651	0.1773	1.8741	0.0103	1.1456	2.964	32.1402	28.765
73	2.7349	-0.7782	0.5795	1.3201	-0.4113	1.2845	-0.1613	0.0381	1.0572	-0.2525	-0.0826	-0.9001	-1.3239	0.7661	0.2933	1.5132	-0.5901	-0.0359	1.0973	0.2362	1.023	-9.842	41.0826	39.0947
74	2.5228	-1.6494	-0.2294	1.8795	-1.2812	2.5872	-0.2895	0.0429	0.8005	-0.1684	0.2781	-0.9081	-0.8391	0.6719	0.0059	0.9768	-0.5378	-0.0472	0.7748	-0.016	0.8872	-7.4303	31.2531	46.9796
75	1.7631	-0.3208	-0.9021	4.1556	0.4649	3.1265	-0.1838	0.8725	-1.1985	-0.6373	0.4114	-0.6718	0.7659	1.4754	-0.2115	1.2833	0.13	0.0194	1.2114	-0.6957	1.1238	-16.3887	-17.4031	34.6193
76	5.1612	-2.5876	0.915	2.5866	-1.7725	4.318	-0.0773	0.3198	0.2295	0.5029	0.2933	-1.1128	0.5373	0.271	-0.2354	0.6057	-0.0769	-0.0431	0.7174	-0.4327	0.7086	-32.2811	-8.9022	31.5385
77	4.7181	2.0141	0.3115	8.3882	1.7226	1.9887	-0.2006	0.5591	0.0169	-0.1382	0.5251	-0.049	0.621	-0.3901	-0.3127	0.5939	-0.0931	0.0743	0.6551	0.0248	0.3307	-45.4776	-4.0599	29.5958
78	6.0523	0.1125	1.9586	6.9204	2.7823	7.6837	0.0264	0.1246	-0.6649	1.1539	0.0406	0.6367	1.2633	-1.4697	-0.0877	1.0756	-0.4041	0.249	0.91	0.02	0.5984	-51.8726	-10.4587	35.2813
79	3.9323	-0.4526	0.5157	4.4692	0.9064	3.9718	-0.0868	0.9164	-0.2712	-0.524	0.1884	0.4906	0.427	-1.0126	-0.1223	0.693	-0.346	0.0322	1.1399	0.0082	0.4833	-47.8218	-7.4399	16.784
80	6.1079	2.2245	-2.121	3.8459	-4.3138	4.8806	0.0232	1.643	-1.2086	-1.5235	0.1866	0.0461	0.9149	0.0208	-0.2157	1.4431	-0.2395	0.0758	1.5341	-0.602	1.1375	-34.8959	-27.8107	10.8275
81	1.4847	0.6229	-0.2582	4.9175	-1.2222	2.7829	-0.172	0.8937	-0.6628	-0.5681	0.5395	-0.2974	1.2956	-0.0759	-0.3793	1.1025	-0.1987	0.0151	1.1213	-0.5223	0.8219	-34.5449	-18.8932	19.3838
82	2.2132	1.33	1.2155	3.8173	-1.8823	4.1279	-0.3865	1.1255	1.2941	-0.8724	0.0035	0.4553	-0.8339	-0.9077	0.376	1.34	0.4414	-0.1173	1.1057	0.3236	0.7979	-100.9928	35.735	15.13
83	4.9025	-4.1948	-0.4714	5.506	0.253	2.0421	0.4139	0.1907	-0.0586	-0.2162	-0.1007	0.3294	-0.5045	-0.5105	-0.2663	0.8632	0.1727	-0.1323	0.4083	0.1314	0.4498	-85.6477	28.1238	19.3717
84	3.9227	-2.2012	-0.2827	5.0441	-0.288	3.0975	0.2242	-0.179	0.1167	-0.0085	0.1981	-0.3366	-0.3419	-0.1088	-0.3823	0.7241	0.0531	-0.1609	0.2702	0.0218	0.4874	-72.8169	23.5218	23.0499
85	2.8985	-0.1155	-1.6389	4.1063	2.3418	4.8513	0.1168	-0.1478	0.5302	0.2915	0.2367	-0.7854	-0.7962	0.3959	-0.3593	0.8064	0.0249	-0.1263	0.3403	-0.0824	0.6691	-65.7844	28.1118	19.2817
86	1.7382	-0.2835	-0.4246	4.8476	0.935	0.2605	0.2123	0.6274	0.7777	-0.6532	0.1297	-0.2065	-0.8195	-0.1583	-0.2445	1.2625	0.1509	0.1286	0.4979	0.2569	0.7573	-72.2894	33.5567	2.4206
87	1.7393	-0.7171	0.2919	2.8193	-0.0179	0.0541	0.2331	0.3625	0.7463	-0.1624	-0.0568	-0.002	-0.6967	-0.1247	-0.0326	1.2683	0.2619	0.0765	0.4954	0.2367	0.7221	-80.9326	38.4881	10.049
88	3.3535	0.4061	0.6618	3.1853	0.8978	1.4394	0.0866	0.607	0.843	-0.1311	0.175	-0.0056	-1.0321	-0.0258	-0.1168	1.2711	0.1839	-0.0554	0.517	0.2403	0.7248	-80.026	37.7657	14.156
89	1.6151	1.8945	-1.2827	2.82	-1.3537	1.0563	0.319	0.0101	-0.1777	-0.4208	-0.3183	-0.136	-0.0763	-0.2025	-0.0179	1.0747	0.4404	-0.1945	1.2844	0.3436	0.7083	-103.5302	29.1715	9.9011
90	0.6198	-0.3915	0.5839	1.1529	-0.9585	1.1436	-0.1353	0.1671	0.1455	-0.1059	0.2605	0.3348	-0.2413	-0.4263	-0.1283	1.3551	0.5127	-0.4081	2.17	0.1733	0.9062	-116.9965	26.5589	6.6622
91	0.6801	-0.1227	0.7164	0.7255	-0.2607	0.7751	-0.1969	0.1151	0.2665	-0.4799	-0.0862	0.4603	-0.4755	-0.3158	0.22	1.4508	0.7318	-0.4569	2.4233	0.2273	1.2205	-123.2537	32.2864	10.026
92	3.8481	0.4605	-0.0508	1.237	0.4095	2.2164	0.0793	0.2314	0.9694	-0.3484	0.128	0.8475	-1.0724	-1.1938	-0.1717	1.1677	0.6955	-0.0189	1.709	0.4032	0.9289	-114.2957	38.367	26.2807
93	1.1804	0.1304	-0.0468	3.7577	-1.6487	2.0189	-0.074	0.4067	0.7919	-0.5595	-0.012	-0.072	-0.8036	-0.5114	0.1012	1.5443	0.7774	0.0294	1.2035	0.3374	0.9079	-103.9989	43.6684	16.6984
94	2.5289	0.4971	1.8116	0.1463	-0.1215	5.9252	-0.0597	1.1263	-0.3396	-0.9883	0.2011	0.1161	0.305	-0.3136	-0.2446	1.5712	0.2049	-0.3064	1.0879	-0.1692	0.5383	-81.6218	1.8372	-10.2162
95	1.2893	0.3117	-1.2296	0.7382	0.0695	2.9647	0.058	0.1457	-0.033	0.0466	0.0404	0.0248	0.8192	-0.1867	-0.0109	0.8905	0.0114	-0.2339	0.4226	-0.1265	0.4209	-81.4539	-4.4505	20.7926
96	1.5565	-0.164	-1.2695	1.0878	0.3978	2.5014	0.0096	-0.0436	0.0111	0.0997	0.0414	-0.1424	0.8391	0.2367	-0.0391	0.9443	0.0586	-0.2054	0.3529	-0.0978	0.4396	-77.2631	-5.0696	27.0851
97	4.2441	1.3892	-1.1153	4.5177	0.7288	0.5906	-0.1011	-0.0539	-0.5155	0.0799	0.0369	-0.2729	1.2499	0.1183	0.0826	1.3044	0.0498	-0.1797	0.4094	-0.0484	0.5131	-75.7666	-13.5296	29.2343
98	2.0534	-0.2705	-0.2919	1.5289	0.0655	0.0413	0.0267	0.5681	-1.0383	-0.0943	-0.3004	0.3089	0.643	-0.3393	0.2665	1.596	-0.2966	-0.1246	0.6144	-0.3457	0.8457	-87.8992	-23.3129	19.053
99	3.7905	0.5858	-1.6958	1.9797	-0.4295	3.6692	-0.0814	0.5573	-0.4456	-0.5144	-0.2954	-0.0638	1.0949	-0.0374	0.1998	1.3416	0.1227	-0.1397	0.5033	-0.1824	0.4097	-78.0085	-13.4889	8.2427
100	2.3002	-0.8001	-1.0437	1.05	1.5078	2.3485	-0.069	0.5946	-0.5144	-0.3319	-0.4008	0.3227	0.868	-0.4742	0.3591	1.6082	-0.1436	-0.1703	0.5581	-0.2126	0.6874	-83.9516	-18.862	10.4146
101	2.8418	-0.2982	-0.1717	1.7843	0.6407	2.0331	0.0104	0.314	-0.6202	-0.0533	-0.0918	0.0351	0.8748	-0.2124	0.0707	1.4942	0.101	-0.1799	0.5738	-0.2052	0.525	-77.9922	-13.8912	11.722
102	0.3933	-0.2698	-0.1729	2.0017	0.1536	0.0782	-0.1794	0.3146	0.1298	0.05	0.0947	0.026	-0.1985	-0.4126	0.1572	1.1447	0.0569	-0.4415	0.888	-0.0936	0.5172	-90.7888	3.0661	-2.1259
103	1.2711	-0.285	0.1682	0.2468	0.1037	1.8037	0.1796	0.8882	-0.0167	-1.0162	-0.1424	0.3689	-0.0886	-0.5747	-0.0062	1.5973	0.2334	-0.4718	1.5654	0.0018	0.5726	-93.8704	13.2019	-16.313
104	3.2526	0.3142	-0.5666	2.7404	-0.1105	2.0364	0.3108	1.1622	0.1834	-1.2155	-0.0953	-0.2671	-0.0817	-0.297	-0.1785	1.3859	0.2198	-0.0425	0.9168	0.1318	0.4076	-74.5519	14.7681	-10.2821
105	3.1727	0.5393	0.717	2.6231	0.1182	2.0732	0.0098	1.0205	-0.5936	-0.3866	0.2399	-0.3839	0.6958	-0.1366	-0.185	1.4076	0.2781	-0.0667	0.9807	-0.1402	0.3836	-76.8475	-0.1626	-9.7194
106	0.6403	-0.1338	-0.3968	2.9944	0.2775	0.2619	-0.1274	0.7666	-0.3462	0.0226	0.0274	0.294	0.6769	-0.8701	-0.0204	0.8356	-0.3007	-0.1985	0.7522	-0.0953	0.6385	-104.5444	5.9482	34.971
107	4.1405	-1.8272	-1.1606	5.1715	-0.1092	5.3714	0.2093	0.0502	-0.0118	0.6102	-0.0544	0.2361	0.0748	-0.8164	-0.1384	0.7237	-0.0884	-0.0991	0.3141	0.0875	0.4244	-105.2697	19.9637	47.8188
108	8.8706	1.7616	-0.802	6.3869	0.6695	4.9173	0.2224	0.555	0.2786	-0.2088	-0.2435	1.3365	-0.2824	-1.9983	-0.0009	0.575	0.1579	-0.0944	1.1264	0.0255	0.8558	-116.5763	26.4851	42.2588
109	4.1561	-0.1077	-0.138	4.1662	-0.8564	4.6329	-0.1659	0.8275	-0.5391	0.4635	0.1353	1.117	0.7817	-1.7752	-0.0793	0.6328	-0.1547	0.0667	1.0731	-0.1867	0.6838	-116.2031	10.4262	41.4192
110	1.848	-1.4071	-0.9329	2.1555	-0.2864	4.4229	0.0605	0.4411	-0.3169	0.7044	-0.0592	0.7404	0.196	-0.989	-0.0415	0.938	-0.4726	-0.043	1.0803	0.0676	0.7922	-112.6357	9.2188	43.371
111	0.6643	0.4681	-0.0885	1.0117	0.3849	0.3047	0.1601	0.2422	-0.0801	-0.3846	-0.3031	0.7248	0.3056	-0.2589	0.197	1.2497	-0.2844	-0.6101	1.919	-0.357	1.1576	-118.1891	-3.2472	11.5215
112	0.0103	-0.0993	-0.0215	0.9475	0.2035	0.0439	0.2431	0.2647	-0.3688	-0.3554	-0.2058	0.6577	0.4243	-0.5916	0.0407	1.7311	-0.5787	-0.4394	2.0151	-0.6969	1.5683	-115.6593	-15.8452	7.4448
113	1.2716	0.0856	0.0123	1.8918	-0.563	0.2894	0.4084	-0.2759	-0.7924	0.4399	-0.4415	0.8577	0.8116	-0.9578	0.1882	1.5039	-0.9023	-0.1456	1.7248	-0.5369	1.3217	-115.1532	-15.7663	26.3702

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 10 through 53 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 54 through 73 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 74 through 109 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 110 through 147 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 148 through 184 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 185 through 199 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 200 through 228 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 229 through 255 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 256 through 290 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 9 through 31 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 32 through 53 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 54 through 73 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 74 through 109 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 110 through 184 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 185 through 228 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 229 through 255 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 256 through 290 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 11 through 53 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 54 through 109 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 110 through 133 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 134 through 255 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 256 through 289 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 10 through 109 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 110 through 133 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 134 through 255 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 256 through 290 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 11 through 31 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 32 through 53 )
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 54 through 73 )
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 74 through 109 )
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 110 through 138 )
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 139 through 184 )
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 185 through 199 )
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 200 through 228 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 229 through 255 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 256 through 289 )
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 11 through 31 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 32 through 53 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 54 through 73 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 74 through 109 )
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 110 through 138 )
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 139 through 184 )
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 185 through 199 )
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 200 through 228 )
45	X-RAY DIFFRACTION	45	chain 'F' and (resid 229 through 255 )
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 256 through 289 )
47	X-RAY DIFFRACTION	47	chain 'G' and (resid 24 through 53 )
48	X-RAY DIFFRACTION	48	chain 'G' and (resid 54 through 109 )
49	X-RAY DIFFRACTION	49	chain 'G' and (resid 110 through 147 )
50	X-RAY DIFFRACTION	50	chain 'G' and (resid 148 through 255 )
51	X-RAY DIFFRACTION	51	chain 'G' and (resid 256 through 289 )
52	X-RAY DIFFRACTION	52	chain 'H' and (resid 10 through 53 )
53	X-RAY DIFFRACTION	53	chain 'H' and (resid 54 through 109 )
54	X-RAY DIFFRACTION	54	chain 'H' and (resid 110 through 138 )
55	X-RAY DIFFRACTION	55	chain 'H' and (resid 139 through 199 )
56	X-RAY DIFFRACTION	56	chain 'H' and (resid 200 through 290 )
57	X-RAY DIFFRACTION	57	chain 'I' and (resid 24 through 53 )
58	X-RAY DIFFRACTION	58	chain 'I' and (resid 54 through 73 )
59	X-RAY DIFFRACTION	59	chain 'I' and (resid 74 through 109 )
60	X-RAY DIFFRACTION	60	chain 'I' and (resid 110 through 147 )
61	X-RAY DIFFRACTION	61	chain 'I' and (resid 148 through 218 )
62	X-RAY DIFFRACTION	62	chain 'I' and (resid 219 through 255 )
63	X-RAY DIFFRACTION	63	chain 'I' and (resid 256 through 289 )
64	X-RAY DIFFRACTION	64	chain 'J' and (resid 11 through 31 )
65	X-RAY DIFFRACTION	65	chain 'J' and (resid 32 through 53 )
66	X-RAY DIFFRACTION	66	chain 'J' and (resid 54 through 73 )
67	X-RAY DIFFRACTION	67	chain 'J' and (resid 74 through 175 )
68	X-RAY DIFFRACTION	68	chain 'J' and (resid 176 through 228 )
69	X-RAY DIFFRACTION	69	chain 'J' and (resid 229 through 289 )
70	X-RAY DIFFRACTION	70	chain 'K' and (resid 3 through 53 )
71	X-RAY DIFFRACTION	71	chain 'K' and (resid 54 through 109 )
72	X-RAY DIFFRACTION	72	chain 'K' and (resid 110 through 184 )
73	X-RAY DIFFRACTION	73	chain 'K' and (resid 185 through 228 )
74	X-RAY DIFFRACTION	74	chain 'K' and (resid 229 through 289 )
75	X-RAY DIFFRACTION	75	chain 'L' and (resid 24 through 53 )
76	X-RAY DIFFRACTION	76	chain 'L' and (resid 54 through 73 )
77	X-RAY DIFFRACTION	77	chain 'L' and (resid 74 through 109 )
78	X-RAY DIFFRACTION	78	chain 'L' and (resid 110 through 133 )
79	X-RAY DIFFRACTION	79	chain 'L' and (resid 134 through 184 )
80	X-RAY DIFFRACTION	80	chain 'L' and (resid 185 through 199 )
81	X-RAY DIFFRACTION	81	chain 'L' and (resid 200 through 289 )
82	X-RAY DIFFRACTION	82	chain 'M' and (resid 26 through 53 )
83	X-RAY DIFFRACTION	83	chain 'M' and (resid 54 through 73 )
84	X-RAY DIFFRACTION	84	chain 'M' and (resid 74 through 109 )
85	X-RAY DIFFRACTION	85	chain 'M' and (resid 110 through 170 )
86	X-RAY DIFFRACTION	86	chain 'M' and (resid 171 through 218 )
87	X-RAY DIFFRACTION	87	chain 'M' and (resid 219 through 289 )
88	X-RAY DIFFRACTION	88	chain 'N' and (resid 11 through 53 )
89	X-RAY DIFFRACTION	89	chain 'N' and (resid 54 through 73 )
90	X-RAY DIFFRACTION	90	chain 'N' and (resid 74 through 109 )
91	X-RAY DIFFRACTION	91	chain 'N' and (resid 110 through 175 )
92	X-RAY DIFFRACTION	92	chain 'N' and (resid 176 through 228 )
93	X-RAY DIFFRACTION	93	chain 'N' and (resid 229 through 288 )
94	X-RAY DIFFRACTION	94	chain 'O' and (resid 11 through 53 )
95	X-RAY DIFFRACTION	95	chain 'O' and (resid 54 through 89 )
96	X-RAY DIFFRACTION	96	chain 'O' and (resid 90 through 109 )
97	X-RAY DIFFRACTION	97	chain 'O' and (resid 110 through 159 )
98	X-RAY DIFFRACTION	98	chain 'O' and (resid 160 through 218 )
99	X-RAY DIFFRACTION	99	chain 'O' and (resid 219 through 255 )
100	X-RAY DIFFRACTION	100	chain 'O' and (resid 256 through 289 )
101	X-RAY DIFFRACTION	101	chain 'P' and (resid 11 through 53 )
102	X-RAY DIFFRACTION	102	chain 'P' and (resid 54 through 73 )
103	X-RAY DIFFRACTION	103	chain 'P' and (resid 74 through 175 )
104	X-RAY DIFFRACTION	104	chain 'P' and (resid 176 through 228 )
105	X-RAY DIFFRACTION	105	chain 'P' and (resid 229 through 289 )
106	X-RAY DIFFRACTION	106	chain 'Q' and (resid 24 through 109 )
107	X-RAY DIFFRACTION	107	chain 'Q' and (resid 110 through 199 )
108	X-RAY DIFFRACTION	108	chain 'Q' and (resid 200 through 218 )
109	X-RAY DIFFRACTION	109	chain 'Q' and (resid 219 through 289 )
110	X-RAY DIFFRACTION	110	chain 'R' and (resid 10 through 53 )
111	X-RAY DIFFRACTION	111	chain 'R' and (resid 54 through 122 )
112	X-RAY DIFFRACTION	112	chain 'R' and (resid 123 through 184 )
113	X-RAY DIFFRACTION	113	chain 'R' and (resid 185 through 289 )