PDB-4r7n: Fab C2E3

Basic information

• Entry: Database: PDB / ID: 4r7n
• Title: Fab C2E3

Components

• Fab C2E3 Heavy chain
• Fab C2E3 Light chain

• Keywords: IMMUNE SYSTEM / TLR4 antibody
• Function / homology: Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
• Biological species: Homo sapiens (human)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.45 Å
• Authors: Loyau, J. / Didelot, G. / Malinge, P. / Ravn, U. / Magistrelli, G. / Depoisier, J.F. / Kosco-Vilbois, M. / Fischer, N. / Thore, S. / Rousseau, F.
• Citation: Journal: J.Mol.Biol. / Year: 2015; Title: Robust Antibody-Antigen Complexes Prediction Generated by Combining Sequence Analyses, Mutagenesis, In Vitro Evolution, X-ray Crystallography and In Silico Docking.; Authors: Loyau, J. / Didelot, G. / Malinge, P. / Ravn, U. / Magistrelli, G. / Depoisier, J.F. / Pontini, G. / Poitevin, Y. / Kosco-Vilbois, M. / Fischer, N. / Thore, S. / Rousseau, F.

History

Deposition	Aug 28, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 29, 2015	Provider: repository / Type: Initial release
Revision 1.1	Aug 26, 2015	Group: Database references

Assembly

Deposited unit

A: Fab C2E3 Heavy chain

B: Fab C2E3 Light chain

C: Fab C2E3 Heavy chain

D: Fab C2E3 Light chain

E: Fab C2E3 Heavy chain

F: Fab C2E3 Light chain

G: Fab C2E3 Heavy chain

H: Fab C2E3 Light chain

I: Fab C2E3 Heavy chain

J: Fab C2E3 Light chain

K: Fab C2E3 Heavy chain

L: Fab C2E3 Light chain

M: Fab C2E3 Heavy chain

N: Fab C2E3 Light chain

O: Fab C2E3 Heavy chain

P: Fab C2E3 Light chain

Q: Fab C2E3 Heavy chain

R: Fab C2E3 Light chain

S: Fab C2E3 Heavy chain

T: Fab C2E3 Light chain

Summary:

• 478 kDa, 20 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	478,244	20
Polymers	478,244	20
Non-polymers	0	0
Water	0	0

1

A: Fab C2E3 Heavy chain

B: Fab C2E3 Light chain

Summary:

• defined by author&software
• 47.8 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	47,824	2
Polymers	47,824	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3380 Å2
ΔGint	-25 kcal/mol
Surface area	19680 Å2
Method	PISA

2

C: Fab C2E3 Heavy chain

D: Fab C2E3 Light chain

Summary:

• defined by author&software
• 47.8 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	47,824	2
Polymers	47,824	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3370 Å2
ΔGint	-22 kcal/mol
Surface area	19660 Å2
Method	PISA

3

E: Fab C2E3 Heavy chain

F: Fab C2E3 Light chain

Summary:

• defined by author&software
• 47.8 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	47,824	2
Polymers	47,824	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3400 Å2
ΔGint	-24 kcal/mol
Surface area	19910 Å2
Method	PISA

4

G: Fab C2E3 Heavy chain

H: Fab C2E3 Light chain

Summary:

• defined by author&software
• 47.8 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	47,824	2
Polymers	47,824	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3300 Å2
ΔGint	-24 kcal/mol
Surface area	19680 Å2
Method	PISA

5

I: Fab C2E3 Heavy chain

J: Fab C2E3 Light chain

Summary:

• defined by author&software
• 47.8 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	47,824	2
Polymers	47,824	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3300 Å2
ΔGint	-23 kcal/mol
Surface area	19740 Å2
Method	PISA

6

K: Fab C2E3 Heavy chain

L: Fab C2E3 Light chain

Summary:

• defined by author&software
• 47.8 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	47,824	2
Polymers	47,824	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3280 Å2
ΔGint	-25 kcal/mol
Surface area	19860 Å2
Method	PISA

7

M: Fab C2E3 Heavy chain

N: Fab C2E3 Light chain

Summary:

• defined by author&software
• 47.8 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	47,824	2
Polymers	47,824	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3410 Å2
ΔGint	-25 kcal/mol
Surface area	19690 Å2
Method	PISA

8

O: Fab C2E3 Heavy chain

P: Fab C2E3 Light chain

Summary:

• defined by author&software
• 47.8 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	47,824	2
Polymers	47,824	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3180 Å2
ΔGint	-23 kcal/mol
Surface area	20790 Å2
Method	PISA

9

Q: Fab C2E3 Heavy chain

R: Fab C2E3 Light chain

Summary:

• defined by author&software
• 47.8 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	47,824	2
Polymers	47,824	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3280 Å2
ΔGint	-22 kcal/mol
Surface area	19800 Å2
Method	PISA

10

S: Fab C2E3 Heavy chain

T: Fab C2E3 Light chain

Summary:

• defined by author&software
• 47.8 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	47,824	2
Polymers	47,824	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3260 Å2
ΔGint	-23 kcal/mol
Surface area	19760 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	178.100, 208.410, 214.380
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	18
Space group name H-M	P21221

• Details: heterodimer with assembly identifier 2 / heterodimer with assembly identifier 1

Components

#1: Antibody

A C E G I K M O Q S
Fab C2E3 Heavy chain

Details:

Mass: 24305.307 Da / Num. of mol.: 10
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): Ovary cells / Production host: Cricetulus griseus (Chinese hamster)

#2: Antibody

B D F H J L N P R T
Fab C2E3 Light chain

Details:

Mass: 23519.068 Da / Num. of mol.: 10
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): Ovary cells / Production host: Cricetulus griseus (Chinese hamster)

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 4.16 ų/Da / Density % sol: 70.43 %
• Crystal grow: Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 8.5 ; Details: 20% PEG 3350, 0.1M Bis Tris Propane pH 8.5, 0.23M sodium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 0.99987 Å
• Detector: Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Feb 13, 2014
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.99987 Å / Relative weight: 1
• Reflection: Resolution: 3.45→50 Å / Num. all: 105492 / Num. obs: 105387 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0
• Reflection shell: Resolution: 3.45→3.54 Å / Redundancy: 7.2 % / Mean I/σ(I) obs: 2.2 / Num. unique all: 7717 / % possible all: 100

Processing

Software

Name	Version	Classification
StructureStudio		data collection
PHASER		phasing
PHENIX	(phenix.refine: 1.8.1_1168)	refinement
XDS		data reduction
XDS		data scaling

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.45→48.775 Å / SU ML: 0.47 / σ(F): 1.35 / Phase error: 31.34 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection	Selection details
Rfree	0.28	5001	4.75 %	RANDOM
Rwork	0.2358	-	-	-
obs	0.2379	105261	99.89 %	-
all	-	105377	-	-

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

Refinement step

Cycle: LAST / Resolution: 3.45→48.775 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	32933	0	0	0	32933

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	33832
X-RAY DIFFRACTION	f_angle_d	0.86	46041
X-RAY DIFFRACTION	f_dihedral_angle_d	12.94	12101
X-RAY DIFFRACTION	f_chiral_restr	0.054	5182
X-RAY DIFFRACTION	f_plane_restr	0.004	5865

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / % reflection obs: 100 %

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Num. reflection obs
3.4501-3.4893	0.3815	172	0.3317	3329	3329
3.4893-3.5303	0.3434	164	0.3207	3295	3295
3.5303-3.5733	0.3649	165	0.3254	3307	3307
3.5733-3.6185	0.3392	152	0.2996	3288	3288
3.6185-3.6661	0.3205	175	0.2915	3298	3298
3.6661-3.7164	0.3858	166	0.2949	3337	3337
3.7164-3.7694	0.3684	163	0.3014	3284	3884
3.7694-3.8257	0.3594	166	0.2862	3322	3322
3.8257-3.8854	0.3534	165	0.279	3282	3282
3.8854-3.9491	0.2949	168	0.2684	3325	3325
3.9491-4.0172	0.283	153	0.2582	3291	3291
4.0172-4.0902	0.2811	168	0.2582	3332	3332
4.0902-4.1688	0.3122	171	0.2509	3317	3317
4.1688-4.2538	0.2873	161	0.2342	3328	3328
4.2538-4.3463	0.2811	175	0.2276	3337	3337
4.3463-4.4473	0.2723	163	0.2078	3299	3299
4.4473-4.5585	0.2496	166	0.2033	3347	3347
4.5585-4.6816	0.2551	160	0.206	3325	3325
4.6816-4.8193	0.237	172	0.1974	3340	3340
4.8193-4.9747	0.2333	159	0.1927	3344	3344
4.9747-5.1523	0.2265	171	0.2	3318	3318
5.1523-5.3583	0.247	161	0.1981	3373	3373
5.3583-5.6019	0.2578	167	0.2068	3339	3339
5.6019-5.8967	0.2588	176	0.2095	3347	3347
5.8967-6.2655	0.2418	164	0.2153	3360	3360
6.2655-6.7481	0.2988	170	0.2395	3372	3372
6.7481-7.4251	0.2728	172	0.2402	3419	3419
7.4251-8.4946	0.2519	161	0.2214	3400	3400
8.4946-10.6837	0.2314	173	0.2006	3430	3430
10.6837-48.7797	0.3184	182	0.2726	3575	3575

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	1.2396	0.498	0.8606	0.6278	0.5987	1.4366	0.1476	-0.1871	-0.2975	-0.1517	-0.0757	0.028	-0.0733	0.3202	0	0.6574	-0.009	0.1172	0.6202	0.0748	0.7415	202.2189	215.4853	488.7245
2	0.8656	-0.0428	-0.1435	-0.422	0.8855	-0.6751	0.0069	0.0521	-0.163	-0.0967	-0.0758	-0.0959	-0.1929	-0.0806	0	0.9137	0.0425	0.0981	0.9008	0.1415	0.8929	184.4705	227.2447	479.4961
3	0.6241	0.1716	-0.3507	-0.007	-1.0113	-0.2128	0.0533	0.4103	-0.0133	0.1448	0.1199	0.2545	0.0595	-0.101	-0	0.8416	0.1046	-0.0649	0.7763	0.1097	0.9414	177.0978	230.1034	473.4417
4	0.6738	-0.6517	0.0709	0.7905	-0.4954	0.6381	0.1642	-0.5225	0.0156	-0.3097	0.2207	0.2715	-0.3778	0.2349	0	0.9555	-0.0927	0.1952	0.8358	-0.1446	0.7773	203.6178	238.9434	496.481
5	0.3858	0.1956	0.1447	0.3029	0.2507	-0.3499	0.5973	0.0194	0.2861	0.1182	-0.3485	0.2133	-0.0363	0.5363	0	1.0996	0.077	0.0799	0.8602	-0.1662	0.9688	202.0078	234.9738	495.4888
6	0.683	-0.3622	-0.2868	0.4552	0.2597	-0.3845	0.3159	-0.1135	0.19	-0.0555	-0.3161	-0.0062	0.0841	0.0162	0	0.8758	0.0454	0.0549	0.7529	-0.05	1.1159	171.4537	238.6046	484.7871
7	0.2648	0.0594	-0.295	0.1158	0.0863	1.2035	0.4322	-0.1387	0.0976	-0.0999	-0.1013	0.1599	-0.084	-0.0891	0	0.844	0.154	-0.0493	0.8585	-0.0472	1.1821	165.6578	237.7243	485.6401
8	0.4177	-0.0296	-1.3721	0.2308	0.2949	0.6005	0.2838	-0.3082	0.0581	-0.1079	0.2534	0.3705	-0.1368	0.2392	-0	0.8364	-0.0509	-0.092	1.0665	-0.1453	1.1654	121.8691	304.7206	479.5105
9	0.4151	-0.2174	-0.1211	0.4756	0.3143	-0.0753	-0.0879	0.633	0.5355	0.5367	0.214	-0.3296	0.0884	-0.015	-0	0.7786	-0.0133	-0.1959	0.8936	-0.0461	1.1329	121.7965	305.9675	474.9593
10	0.611	-0.4504	0.1023	0.0191	0.1855	0.5245	-0.3566	-0.2224	0.2111	0.9703	0.5013	-0.2779	-0.0509	-0.1665	-0	1.0753	0.1181	0.0899	0.945	0.1713	0.8869	95.4404	289.7506	490.6842
11	1.0851	-0.4668	-0.4769	0.1708	-0.3746	0.0921	-0.066	0.166	0.3449	-0.0882	0.1495	0.0762	0.4807	0.1872	0	1.1855	0.0783	0.0352	0.7593	0.0376	0.9558	98.3111	291.384	491.2377
12	0.0687	-0.2621	-0.3724	-0.005	0.0024	-0.2462	-0.4366	1.1452	-0.3167	-0.2858	0.999	-0.0076	0.6148	-0.0521	0	1.0097	0.0615	-0.2141	1.1734	0.0135	0.9874	117.5889	281.0417	464.3422
13	0.1036	0.2266	0.3709	0.6545	0.0686	0.206	0.3146	0.2059	0.1009	0.4377	0.2204	0.0962	0.2218	0.2449	0	0.9827	0.0661	-0.1236	1.0643	-0.1591	0.9046	125.1333	287.2831	468.5386
14	0.1551	-0.138	0.0754	0.04	0.1268	0.142	-0.04	0.7248	-0.5516	0.1709	0.6635	-0.1749	0.5163	0.9464	0	1.0866	0.1	-0.1401	1.3061	-0.4347	1.157	131.1305	281.0274	475.1822
15	0.2837	0.0517	0.5128	0.2051	-0.1212	0.0486	-0.4419	-0.1229	0.6623	0.4251	0.7176	-0.3102	0.6202	0.173	0	0.8668	0.1052	-0.1519	0.9384	-0.2177	1.1213	123.3921	280.4608	469.0527
16	0.0111	-0.0395	-0.0211	0.0689	0.0004	-0.0786	0.8302	0.2459	-0.0746	-0.78	0.1682	-0.2338	0.4848	0.4096	0	0.677	-0.1488	-0.0904	0.8783	-0.2155	0.8933	127.9733	296.2823	463.8113
17	0.1739	-0.0012	0.1352	0.0215	-0.2688	-0.0957	1.0719	0.1828	0.1814	0.685	-0.5781	0.4369	-0.2112	0.0899	0	0.7546	-0.0328	0.0347	0.7252	0.0448	0.9373	100.9358	276.3499	477.0182
18	-0.0886	-0.1423	0.0101	0.0296	-0.2064	0.1398	0.1318	0.2416	0.72	0.3304	-0.2243	0.5499	0.5003	0.539	-0	1.198	0.2197	0.2013	0.9284	0.0793	1.2238	84.8846	292.6111	487.5325
19	0.0872	0.1979	0.0129	0.3368	0.1746	0.0067	0.4785	0.6121	-0.2621	-0.018	-0.0352	0.323	0.9069	-0.5762	0	0.9866	-0.0038	-0.0288	1.2421	-0.034	1.1762	92.1282	279.6079	475.006
20	0.0147	-0.0709	0.0186	0.0946	0.1657	0.1017	0.4446	-0.464	0.3204	0.173	-0.0161	-0.1685	-0.01	-0.208	0	0.8975	-0.143	0.0683	1.0811	0.1074	1.4022	83.9042	287.6058	474.482
21	0.0372	0.0667	-0.1029	0.2166	-0.1413	0.0134	-0.0834	0.3284	-0.0078	0.4363	0.0775	0.221	-0.0971	0.3085	0	0.9288	0.0406	-0.0303	0.9389	0.0558	1.1038	94.2383	285.7945	480.2399
22	0.1211	0.0704	0.5342	-0.2402	0.4764	0.3866	0.3725	-0.3255	-0.9674	-0.1584	0.1939	0.1624	0.0611	-0.1465	0	1.0749	-0.0244	0.2947	1.2727	0.0498	1.686	81.853	279.3091	480.3163
23	0.0457	-0.0736	-0.0438	0.1831	0.1491	0.04	-0.5004	-0.306	0.5921	-0.045	-0.0196	-0.2031	-0.0227	-0.0812	0	1.2512	-0.2176	0.2871	1.755	-0.5903	1.0182	93.5411	253.2488	447.3525
24	-0.1826	0.0598	-0.1067	0.2569	-0.1769	-0.0123	-0.4596	0.2565	-0.0314	0.2923	0.2867	0.8313	-0.0805	0.8122	-0	1.1969	-0.1827	0.166	1.4222	-0.3618	1.1193	103.6242	250.5035	448.0055
25	0.5057	0.1002	-0.0267	0.2921	0.0101	0.0543	-0.5623	0.0581	-0.6555	0.0977	-0.0043	0.0399	-0.2505	0.0117	0	1.5076	-0.3889	0.3503	1.5413	-0.3862	1.2653	100.3861	244.5349	451.7859
26	0.0463	-0.0227	-0.2149	0.1551	0.062	-0.0283	-0.3844	1.2489	-0.7463	0.1184	-0.3067	0.2934	0.3772	-0.5876	-0	0.9898	-0.201	0.0042	1.4637	-0.2602	0.7628	107.8964	255.3749	446.7911
27	0.3186	-0.3676	-1.3288	-0.0195	0.345	0.925	-0.3671	0.6075	-0.2133	-0.366	0.1276	0.5148	0.2459	-0.3286	0	1.1924	-0.2124	-0.1255	1.85	-0.5877	1.3924	81.3432	270.6232	448.7712
28	0.1107	-0.1875	-0.1033	0.036	0.0704	0.1341	-0.4843	0.366	0.6509	0.0888	-1.0885	1.0757	-0.8344	-0.532	0	1.3895	-0.2407	-1.1326	4.4524	0.1491	0.1006	84.2952	286.8281	442.3701
29	-0.0943	0.0663	0.0858	0.0736	-0.1459	-0.0433	-0.3803	1.0645	-0.9347	0.2037	0.8363	1.2797	1.1229	0.2974	0	1.2383	-0.1085	-0.2735	2.4597	-0.5519	1.507	85.9661	268.7075	444.4614
30	-0.1149	-0.1576	-0.2267	-0.0428	-0.13	-0.081	-0.2244	-0.3338	0.4885	0.2079	-0.538	0.3728	-0.9021	0.0371	-0	1.1017	-0.2327	-0.2376	1.8832	0.0621	1.037	87.4193	273.9718	449.4594
31	0.0937	-0.0657	0.4405	-0.1605	-0.0514	-0.3041	-1.2884	1.6681	-2.0852	-0.6351	-1.4638	-1.1455	1.3264	-0.1921	-0	-3.1565	-0.4439	-4.4221	2.9695	0.1924	-3.1006	83.3229	276.4214	437.6397
32	0.6157	-0.0192	0.1956	0.9693	1.1858	0.0837	-0.3085	0.2913	0.1795	0.3089	0.3444	0.1804	0.1986	0.2418	0	1.0011	-0.0027	-0.0437	0.9925	-0.1157	0.6799	116.1052	266.4911	453.998
33	-0.1949	0.4063	-0.2155	0.3832	-0.3914	-0.2918	-0.1055	0.1565	0.2988	-0.0123	0.2604	0.2647	0.2064	0.2818	0	1.169	0.0055	-0.0062	1.1639	-0.1611	0.9677	113.7242	270.0092	454.5749
34	0.071	-0.3625	-0.0332	0.1964	0.6108	0.1112	0.0777	1.29	0.4766	0.5469	0.0912	0.1172	-0.2	0.0887	-0	0.9386	0.1624	-0.1458	1.7515	0.2329	1.3546	83.3847	285.3662	452.5563
35	0.2156	-0.1596	0.0507	0.0107	-0.8964	0.2227	0.0668	0.6442	0.2948	0.2742	0.2864	0.1899	0.1082	-0.2593	0	0.8237	0.1261	-0.1192	1.4733	0.2882	1.3518	84.1733	287.8034	455.4632
36	0.824	-0.2474	0.4131	0.7852	0.0647	0.227	0.104	-0.2494	-0.0883	-0.2085	-0.1553	-0.2442	-0.0781	-0.1266	-0	0.7391	-0.0081	0.0218	0.8694	0.1266	0.8917	157.6405	203.1847	489.556
37	0.6202	-0.1466	-0.2932	0.1006	-0.0969	0.3978	-0.0713	-0.1655	0.1259	-0.051	0.0648	0.0902	-0.1374	0.1223	-0	0.9557	-0.015	-0.0815	0.9046	0.0095	0.9012	135.9902	215.7732	501.0638
38	0.4063	0.0296	-0.3787	0.1049	0.2939	0.6377	0.1332	-0.1129	-0.1409	0.0239	-0.1936	-0.3718	-0.0181	-0.2174	-0	0.8527	-0.0313	-0.0962	0.8177	0.2132	0.8476	157.1522	195.3894	511.6564
39	0.5594	0.0137	-0.3585	-0.142	0.4807	0.5054	-0.0846	-0.1504	0.1346	0.069	0.1034	-0.0045	0.1493	-0.2006	-0	1.0612	-0.0071	-0.08	1.2873	0.0518	0.7298	127.6641	209.1767	511.0766
40	0.5645	0.7638	-0.2354	1.0989	-0.7087	0.5205	-0.0352	-0.1441	-0.2314	0.0291	0.0402	0.1622	0.0069	-0.2558	0	0.8668	0.0216	0.0423	1.2472	0.0593	1.0013	119.7818	207.5723	510.1245
41	0.8286	-0.1478	0.4952	0.6436	-0.2392	0.2112	0.023	0.0824	0.1442	0.1211	0.061	-0.1839	0.141	-0.2318	-0	1.2985	-0.0189	0.19	1.0759	-0.3528	1.2273	178.2221	270.6445	517.6156
42	0.1904	-0.1389	0.0695	0.2347	-0.0251	0.4011	-0.3504	-0.1024	0.1805	-0.205	0.3494	0.2987	-0.2098	0.1785	0	1.3667	0.0655	0.236	1.038	-0.2526	1.337	178.9339	272.2481	513.355
43	0.8958	1.043	0.5844	0.5554	0.0879	0.5631	0.416	-0.4115	0.4805	0.1363	-0.392	0.3466	0.2841	-0.0279	0	1.2119	-0.0027	0.1578	1.2855	-0.0632	0.9687	163.3508	244.9268	522.5616
44	0.4622	-0.1114	-0.3046	0.3871	0.8981	0.5569	0.1726	-0.1661	-0.1764	-0.172	0.0829	0.2118	-0.1842	0.3374	0	1.1206	-0.0709	0.1808	1.0337	-0.1833	1.0386	194.9205	256.6087	509.8538
45	-0.0148	0.7415	0.0791	0.9423	0.4525	0.0484	0.2523	-0.0805	-0.2071	0.1412	-0.2164	-0.2583	-0.4137	-0.1053	0	1.0638	0.0435	0.0887	1.2874	-0.0213	1.3048	169.0911	237.3514	513.1049
46	0.3827	0.2517	0.0531	0.0884	-0.4435	0.5996	0.0633	0.3048	0.0443	0.1626	0.2066	0.2143	0.1025	0.0373	0	0.8989	-0.1663	0.0682	1.0569	0.0192	1.2812	163.4428	233.3938	508.9364
47	0.3296	-0.1079	-0.4106	0.0809	0.0011	0.1066	0.1892	-0.0458	-0.2018	-0.1244	-0.145	0.2789	0.2073	-0.2452	0	1.4415	-0.11	-0.1637	1.3092	0.3425	1.1256	130.6888	173.3128	544.714
48	0.0358	-0.0267	-0.0335	-0.0159	-0.0727	-0.0073	0.1509	0.4769	0.2626	0.3641	-0.7365	-0.2545	-0.1089	-0.1533	0	1.3988	-0.2236	-0.043	1.3462	0.4968	0.9732	135.0019	183.8182	541.016
49	-0.11	-0.0121	0.0106	0.0521	0.0488	-0.0001	0.5455	0.1375	0.5207	0.5965	0.3635	-0.0758	0.7522	-0.2118	0	1.4793	0.019	0.0574	1.4919	0.2707	1.2546	138.3669	180.6182	553.1124
50	0.0729	-0.0239	0.1308	0.0152	0.0045	-0.0952	-0.1166	-0.359	0.0805	0.3858	0.0265	0.1962	0.213	-0.3552	0	1.3971	0.0012	0.06	1.4752	0.3082	1.1906	129.167	176.2307	551.6431
51	-0.0018	0.0401	-0.1671	-0.4753	-0.2924	0.4017	0.1305	-0.5741	-0.1046	0.1787	-0.1966	0.0717	0.0371	0.077	-0	1.1715	-0.1513	0.0278	1.3049	0.2546	1.1285	129.4701	179.1056	539.1294
52	0.2064	-0.0926	0.2189	0.0096	-0.0535	0.0546	-0.2484	-0.3944	-1.1	-0.421	0.5529	0.0438	-0.1366	-0.2903	-0	1.8937	-0.3761	-0.1574	1.5321	0.1595	1.8491	112.3638	170.6402	506.0652
53	-0.0233	0.2577	0.1045	-0.0863	0.0213	0.1524	-0.7115	-0.3326	-0.3829	-0.0595	0.4584	0.8807	0.2313	-0.555	0	1.3483	-0.1368	-0.0722	1.5918	0.1745	1.5391	116.0784	173.1835	520.9668
54	0.0867	-0.3171	-0.0394	-0.1722	0.1364	-0.057	-0.4712	-0.125	0.2292	-0.5908	0.7294	0.1547	-0.0671	0.2458	0	1.4334	-0.1455	-0.0882	1.5774	0.1691	1.3044	118.5551	173.8076	515.8612
55	0.2424	0.1154	0.0816	-0.0989	-0.0485	0.0084	-0.0719	-0.3161	-0.4884	0.1046	0.6604	-0.0131	0.7289	-0.3461	0	1.5624	-0.2761	0.0937	2.0134	0.1143	1.5873	112.0961	166.7761	521.4558
56	0.3772	0.3607	-0.1771	0.8906	0.8242	0.3805	0.0036	0.0577	0.1783	0.1341	-0.1271	-0.2764	-0.0268	-0.2324	-0	1.0705	-0.1626	-0.1449	1.1378	0.2375	0.8931	148.761	182.0762	529.1752
57	0.5287	-0.37	0.2698	-0.4542	0.1165	0.1898	0.277	0.1975	-0.3033	0.0563	-0.0408	-0.0164	-0.165	-0.3159	0	1.1271	-0.1232	-0.0521	1.3033	0.2296	0.9315	142.7332	182.0368	525.0156
58	0.1453	-0.5527	0.3591	0.2342	-0.5032	0.2655	0.0188	-0.4626	-0.1576	-0.2157	0.0927	-0.129	-0.14	-0.2532	0	0.8594	-0.2191	-0.1124	1.3944	0.352	1.1222	114.9056	183.1114	507.8474
59	0.3633	0.2154	-0.2428	0.7006	0.1861	0.5634	0.0464	-0.0798	0.3845	-0.0325	-0.0294	-0.1329	0.1979	-0.235	-0	0.9324	-0.2484	-0.2293	1.5308	0.2822	0.993	117.2801	184.1193	507.0105
60	-0.0612	0.0522	-0.3274	0.5901	-0.6747	0.5146	0.4746	0.2579	1.368	0.0273	-1.0283	0.3656	0.5693	0.0582	-0	0.8602	-0.0489	0.0015	0.7757	0.0151	0.9849	167.2406	313.4929	490.0338
61	0.0927	-0.6345	0.4979	0.7641	1.0201	0.7571	0.1381	0.3058	-0.1808	-0.0037	-0.2404	-0.1162	-0.0711	-0.2157	0	0.836	-0.1136	-0.0449	0.7689	-0.0037	0.902	166.9813	304.8936	489.6736
62	-0.3189	0.1558	-0.683	0.4487	-0.4049	0.5963	-0.091	-0.0702	0.084	0.1867	-0.104	0.3384	0.2163	-0.0041	-0	0.8922	-0.0725	-0.079	0.9998	-0.162	1.1882	147.0203	317.3728	500.8454
63	0.376	0.5925	0.2259	0.0687	0.2242	-0.0401	-0.2505	0.3565	0.6282	0.331	-0.057	-0.0718	0.2802	0.068	0	1.0523	0.0697	-0.1301	1.0588	-0.1234	1.1294	142.1305	328.5366	503.2839
64	0.4383	-0.6501	0.5197	0.2143	-0.1812	0.5168	-0.1595	-0.0876	-0.9967	0.5272	0.0466	0.1755	0.307	0.0367	0	1.7561	-0.2826	0.069	0.8207	0.128	0.993	164.7022	295.0329	513.3304
65	0.6176	0.3602	-0.4889	0.5322	-0.075	0.513	0.0395	-0.0402	-0.0445	0.1013	-0.1486	-0.2794	0.0039	-0.0772	0	1.3	-0.1174	-0.1614	0.8472	0.1652	0.8199	169.1245	304.0218	512.8794
66	0.1342	0.1534	0.046	0.1417	0.0518	0.1055	0.4364	0.2389	0.4749	0.0725	-0.1474	-0.5342	0.6232	-0.7304	0	1.4918	-0.0397	0.102	0.778	0.1587	0.7517	165.7256	301.1232	508.9042
67	0.2946	0.3338	0.2135	-0.253	-0.523	-0.0288	-1.3871	0.3074	-0.1115	2.6414	-0.4753	0.7704	2.8506	-0.7727	0	-0.6694	-0.6677	-0.1033	1.3863	-0.6521	1.0953	137.6079	315.6604	511.0554
68	0.3988	0.0489	-0.3132	0.0737	0.2237	0.158	-1.2089	1.0659	-0.1738	1.6378	-0.1723	0.5933	0.8009	-0.8181	-0	1.1794	-0.5781	0.5124	1.8937	-0.4378	1.7224	130.9483	310.8475	511.637
69	0.1033	-0.3085	-0.1007	0.0597	0.2902	0.1093	1.0087	0.1114	-0.0079	0.5105	-0.3329	0.5609	0.0482	0.3495	0	1.4737	-0.2571	0.2488	1.3838	0.0728	1.3921	142.6134	310.6119	511.4534
70	-0.0083	0.2885	-0.1015	0.1488	0.0654	0.1557	-0.3166	0.4729	-0.4375	0.4453	-0.9226	0.872	0.9168	-0.6212	-0	0.8402	-0.0904	0.2285	1.8314	-0.2237	1.5609	125.226	314.6338	510.2182
71	0.1088	-0.4672	-0.4489	0.1879	-0.2374	-0.4982	-0.6939	1.1422	-1.0998	1.0929	2.056	-0.558	-0.0525	1.0461	0	1.3774	-0.1087	0.4879	1.2062	1.0668	1.0996	142.5054	282.3896	546.0923
72	0.1865	0.9879	0.0051	0.3424	0.341	0.2963	-0.4552	0.1086	-0.3178	0.0609	0.4062	-0.3734	-0.2385	-0.3641	-0	1.2121	0.1668	0.2081	1.2737	0.429	1.1013	142.0051	285.304	547.5309
73	0.0149	0.2123	0.0025	-0.1608	0.2266	-0.0705	1.477	-0.0314	-0.411	-0.3794	-1.6987	-0.7176	0.2011	0.522	0	3.5901	-0.7125	-0.0894	2.0281	-0.2199	2.6882	122.2031	275.8379	509.0076
74	0.386	0.5255	0.4678	0.0533	0.347	-0.0406	-0.5735	-0.0526	-0.3213	0.4487	0.2679	-0.075	0.7969	-0.7378	0	2.3114	-0.5645	0.2037	1.7801	0.4252	2.2479	126.3183	277.0656	523.1372
75	0.389	0.1449	-0.1137	0.4633	-0.1187	0.7026	-0.2388	-0.155	0.1325	-0.3213	0.2602	-0.3285	0.2436	-0.5608	-0	1.4699	-0.2304	0.1941	0.9994	0.1962	1.0263	157.796	287.8426	530.7076
76	-0.0565	0.083	0.0032	0.2944	0.6118	0.0254	-1.8378	0.363	0.5784	0.3366	1.3081	1.5134	1.5683	2.1289	0	0.7954	-1.5322	-0.5898	0.8383	0.8872	2.0111	127.9607	288.466	509.1197
77	0.4042	-0.1254	0.475	0.3101	-0.1523	0.2527	-0.2252	0.0029	0.4355	-0.0367	-0.0588	0.2215	0.071	0.1296	-0	1.0639	0.132	-0.1379	0.9264	-0.1034	1.5922	138.9884	255.2983	496.3692
78	1.5452	0.3233	-0.0921	0.5902	0.4727	0.0448	-0.0475	0.0095	0.1209	0.0338	0.1531	0.0529	0.1842	-0.0663	0	1.0453	0.0787	-0.0476	1.0252	0.0998	1.0757	131.9633	228.1741	479.7442
79	0.0282	0.262	-0.1693	0.0821	-0.1383	-0.0835	-0.5763	1.0198	1.3753	0.1858	0.3744	0.11	0.0874	-0.1165	-0	1.5549	0.0338	-0.5695	1.5696	0.3656	2.3782	135.709	261.6263	469.4971
80	0.1258	0.0428	-0.0421	0.0547	-0.0099	-0.0194	0.3851	0.7656	0.2851	-0.0873	0.2708	-0.4044	-0.3399	-0.899	-0	1.9428	0.0419	-0.471	1.5163	0.035	2.5879	139.9952	271.6303	476.2008
81	0.0349	-0.0212	0.2405	0.0249	-0.0322	-0.1177	-2.235	0.759	0.5984	0.27	-0.5037	0.2056	1.4077	-0.8063	0	1.089	0.2598	-0.6623	0.9093	0.5657	1.8996	142.023	255.6593	479.3635
82	0.052	0.0164	-0.0091	0.0407	-0.0786	0.0612	-0.7266	0.0058	-0.0791	0.3819	-0.5971	0.6647	-0.8706	0.7584	0	1.5921	-0.2232	-0.1373	1.3273	0.3391	2.0123	151.0465	260.8126	474.9165
83	-0.1257	0.1886	0.0901	0.0452	0.0625	-0.0351	-0.4417	0.1283	-0.4138	0.4535	0.3077	-0.6004	-0.5642	-0.0908	0	1.84	-0.3774	-0.5039	1.6181	0.4926	1.8748	142.5771	261.7745	472.0068
84	-0.0638	0.0823	0.0261	-0.0103	-0.0673	0.0053	-0.7464	-0.1432	0.4075	0.6399	0.0809	-0.1954	0.5481	-0.3382	0	1.7293	0.1479	-0.4778	0.8852	-0.0077	1.9322	138.7482	268.6077	486.2247
85	0.047	-0.0699	0.0102	0.0524	0.0295	0.2563	0.3496	0.6425	0.2642	0.5634	-0.2312	-0.2658	0.304	0.2457	0	1.2238	-0.0035	-0.0226	1.2191	0.2789	1.2388	131.648	241.3222	464.0649
86	-0.0616	0.0406	0.2173	0.2497	0.4977	0.7503	0.1708	-0.0275	0.2259	-0.2013	-0.1509	0.0924	-0.0687	-0.4934	-0	0.9357	0.0737	-0.0353	1.3786	0.3192	1.1801	119.7706	230.923	470.8456
87	0.2052	-0.1364	0.384	0.0525	-0.2424	0.502	0.3269	-0.7027	0.2043	0.0458	-0.7021	0.4462	-0.3145	0.5118	0	1.2212	0.0962	-0.2147	1.4082	0.0817	1.4588	123.5217	236.0395	472.792
88	0.0719	-0.1055	0.0344	0.0714	0.0441	-0.0092	0.0113	-0.1757	-0.5272	0.0171	0.3329	0.212	-0.9836	-0.5255	0	1.3445	-0.1975	-0.0712	1.4196	0.3203	1.401	113.2211	225.8401	467.5501
89	0.0986	0.1829	0.3462	0.0619	-0.0123	-0.0639	0.1315	0.3842	-0.3309	0.3064	0.3189	0.1855	-0.468	-0.2817	-0	1.5027	-0.2513	-0.2323	1.6555	0.4729	1.1748	120.8745	228.1787	461.6767
90	-0.0014	0.1231	0.0428	0.1505	0.1288	0.0827	-0.3853	0.0854	0.4023	-0.8568	-0.2967	0.8499	-0.6903	0.9531	0	2.2407	0.2468	-0.731	2.3072	-0.1709	2.369	146.7484	353.1367	497.7288
91	0.0786	-0.2181	0.0017	0.2568	-0.0344	0.024	0.7467	-0.5989	0.8702	2.2459	0.2605	1.2472	-2.1503	2.0343	-0	0.9228	0.8084	-2.789	1.5174	-0.5544	3.0367	158.0483	359.6295	500.2999
92	0.2834	0.1848	-0.3028	0.0548	-0.1582	-0.0816	-0.175	-1.3495	0.2997	-1.7092	-1.4392	0.341	0.2774	0.0733	0	2.2075	0.7445	-1.4515	1.4811	-1.3111	2.895	149.0245	365.547	498.439
93	-0.0215	-0.0877	0.3152	0.1489	0.3331	0.2684	0.0042	-1.958	0.419	-2.3592	0.0868	0.0556	-1.1269	0.0828	-0	1.2568	0.3735	-0.9542	1.7373	-0.5278	2.8868	145.5121	359.5385	497.372
94	-0.0022	0.0794	-0.0314	-0.0078	-0.0108	-0.0035	-0.5758	0.5502	1.4145	0.1644	0.0271	-0.6126	-0.9531	0.4723	-0	3.5933	0.1733	-1.3697	0.8868	-1.2192	2.2352	157.817	364.4601	489.0873
95	0.5049	0.2729	0.1815	0.4086	-0.0241	0.0185	-0.433	-0.1558	0.1517	-0.1721	0.3862	-0.2104	0.4052	-0.054	-0	1.7509	0.0277	-0.8919	1.6165	-0.3955	2.858	137.5011	336.1906	482.7611
96	-0.0616	-0.3275	0.1591	0.2774	-0.0492	0.0722	-0.1027	-1.8149	0.9289	-1.4486	-0.7339	-0.1255	0.5612	-0.5425	0	1.8626	0.0897	-0.8961	1.9964	0.1127	3.0703	141.2379	337.0589	483.1077
97	-0.038	-0.2003	0.1104	0.0168	0.0191	0.1485	0.0322	-0.1518	0.7054	-1.6824	0.5259	0.8521	0.551	-0.4687	-0	2.5208	-0.2335	-0.827	1.8868	-0.2865	2.3763	141.0882	336.9889	477.3584
98	0.1268	-0.0909	0.1908	0.1564	-0.1734	0.0471	0.4775	-0.4248	-1.1349	-0.2321	0.7139	0.3417	-0.788	0.4103	-0	2.0142	0.0592	-0.2802	1.9891	-0.1493	1.4571	144.5572	331.1127	485.9667
99	-0.0045	0.0672	-0.1178	0.0106	-0.0762	-0.0172	0.197	0.829	0.2736	0.5838	-0.9772	-0.1158	0.0716	0.6857	0	2.909	0.5078	-1.6537	1.7993	-0.485	3.4788	147.2518	368.8994	470.1938
100	0.1718	0.4174	-0.0706	0.1243	-0.5186	0.1105	-0.0232	0.6816	1.0305	-1.5925	0.4883	1.0065	0.857	0.3278	0	3.1975	-0.0078	-1.3953	2.038	0.2691	2.8708	155.566	367.0946	475.7111
101	0.5956	-0.6364	-1.0341	0.2485	0.6086	0.0764	-0.2284	0.3641	-0.0786	-0.05	0.1731	0.2703	-0.2601	-0.5128	0	2.4114	0.0228	-0.9846	2.2712	-0.1263	2.1088	138.9902	347.0705	474.9417
102	-0.0028	-0.0439	0.1619	-0.031	0.0595	0.1089	-0.3947	0.2777	-0.4998	-0.5229	-1.3204	0.4509	-0.3367	-0.0196	-0	2.5397	0.0706	-0.8232	2.569	-1.044	4.2384	128.6235	342.3652	467.6747
103	0.0419	-0.0871	0.0579	0.0686	-0.2061	0.4202	-0.7972	1.1795	-0.2794	-0.7269	0.2305	0.4415	-0.1523	-0.5164	-0	2.3908	-0.1348	-0.1316	2.215	-0.4378	3.1114	131.1188	337.9026	471.0662
104	-0.1467	0.1351	0.0338	-0.0538	-0.1104	-0.0847	-1.2843	0.1212	0.0325	-0.083	-1.1019	0.3443	-0.3725	-0.7922	-0	2.3589	-0.5734	-0.559	3.0076	-0.3587	1.5101	130.8512	335.7407	460.6117

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 96 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 97 through 162 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 163 through 218 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 1 through 75 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 76 through 101 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 102 through 150 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 151 through 211 )
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 1 through 45 )
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 46 through 124 )
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 125 through 162 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 163 through 218 )
12	X-RAY DIFFRACTION	12	chain 'D' and (resid 1 through 18 )
13	X-RAY DIFFRACTION	13	chain 'D' and (resid 19 through 49 )
14	X-RAY DIFFRACTION	14	chain 'D' and (resid 50 through 61 )
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 62 through 89 )
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 90 through 101 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 102 through 118 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 119 through 136 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 137 through 150 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 151 through 163 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 164 through 186 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 187 through 211 )
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 1 through 16 )
24	X-RAY DIFFRACTION	24	chain 'E' and (resid 17 through 52 )
25	X-RAY DIFFRACTION	25	chain 'E' and (resid 53 through 91 )
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 92 through 111 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 112 through 134 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 135 through 148 )
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 149 through 162 )
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 163 through 182 )
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 183 through 218 )
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 1 through 61 )
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 62 through 114 )
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 115 through 150 )
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 151 through 211 )
36	X-RAY DIFFRACTION	36	chain 'G' and (resid 1 through 98 )
37	X-RAY DIFFRACTION	37	chain 'G' and (resid 99 through 218 )
38	X-RAY DIFFRACTION	38	chain 'H' and (resid 1 through 101 )
39	X-RAY DIFFRACTION	39	chain 'H' and (resid 102 through 144 )
40	X-RAY DIFFRACTION	40	chain 'H' and (resid 145 through 211 )
41	X-RAY DIFFRACTION	41	chain 'I' and (resid 1 through 45 )
42	X-RAY DIFFRACTION	42	chain 'I' and (resid 46 through 124 )
43	X-RAY DIFFRACTION	43	chain 'I' and (resid 125 through 218 )
44	X-RAY DIFFRACTION	44	chain 'J' and (resid 1 through 101 )
45	X-RAY DIFFRACTION	45	chain 'J' and (resid 102 through 144 )
46	X-RAY DIFFRACTION	46	chain 'J' and (resid 145 through 211 )
47	X-RAY DIFFRACTION	47	chain 'K' and (resid 1 through 40 )
48	X-RAY DIFFRACTION	48	chain 'K' and (resid 41 through 52 )
49	X-RAY DIFFRACTION	49	chain 'K' and (resid 53 through 64 )
50	X-RAY DIFFRACTION	50	chain 'K' and (resid 65 through 84 )
51	X-RAY DIFFRACTION	51	chain 'K' and (resid 85 through 124 )
52	X-RAY DIFFRACTION	52	chain 'K' and (resid 125 through 139 )
53	X-RAY DIFFRACTION	53	chain 'K' and (resid 140 through 162 )
54	X-RAY DIFFRACTION	54	chain 'K' and (resid 163 through 196 )
55	X-RAY DIFFRACTION	55	chain 'K' and (resid 197 through 218 )
56	X-RAY DIFFRACTION	56	chain 'L' and (resid 1 through 75 )
57	X-RAY DIFFRACTION	57	chain 'L' and (resid 76 through 113 )
58	X-RAY DIFFRACTION	58	chain 'L' and (resid 114 through 155 )
59	X-RAY DIFFRACTION	59	chain 'L' and (resid 156 through 211 )
60	X-RAY DIFFRACTION	60	chain 'M' and (resid 1 through 34 )
61	X-RAY DIFFRACTION	61	chain 'M' and (resid 35 through 98 )
62	X-RAY DIFFRACTION	62	chain 'M' and (resid 99 through 182 )
63	X-RAY DIFFRACTION	63	chain 'M' and (resid 183 through 218 )
64	X-RAY DIFFRACTION	64	chain 'N' and (resid 1 through 33 )
65	X-RAY DIFFRACTION	65	chain 'N' and (resid 34 through 75 )
66	X-RAY DIFFRACTION	66	chain 'N' and (resid 76 through 101 )
67	X-RAY DIFFRACTION	67	chain 'N' and (resid 102 through 128 )
68	X-RAY DIFFRACTION	68	chain 'N' and (resid 129 through 155 )
69	X-RAY DIFFRACTION	69	chain 'N' and (resid 156 through 174 )
70	X-RAY DIFFRACTION	70	chain 'N' and (resid 175 through 211 )
71	X-RAY DIFFRACTION	71	chain 'O' and (resid 1 through 52 )
72	X-RAY DIFFRACTION	72	chain 'O' and (resid 53 through 124 )
73	X-RAY DIFFRACTION	73	chain 'O' and (resid 125 through 141 )
74	X-RAY DIFFRACTION	74	chain 'O' and (resid 142 through 218 )
75	X-RAY DIFFRACTION	75	chain 'P' and (resid 1 through 102 )
76	X-RAY DIFFRACTION	76	chain 'P' and (resid 103 through 211 )
77	X-RAY DIFFRACTION	77	chain 'Q' and (resid 1 through 124 )
78	X-RAY DIFFRACTION	78	chain 'Q' and (resid 125 through 218 )
79	X-RAY DIFFRACTION	79	chain 'R' and (resid 1 through 18 )
80	X-RAY DIFFRACTION	80	chain 'R' and (resid 19 through 32 )
81	X-RAY DIFFRACTION	81	chain 'R' and (resid 33 through 44 )
82	X-RAY DIFFRACTION	82	chain 'R' and (resid 45 through 64 )
83	X-RAY DIFFRACTION	83	chain 'R' and (resid 65 through 90 )
84	X-RAY DIFFRACTION	84	chain 'R' and (resid 91 through 101 )
85	X-RAY DIFFRACTION	85	chain 'R' and (resid 102 through 118 )
86	X-RAY DIFFRACTION	86	chain 'R' and (resid 119 through 155 )
87	X-RAY DIFFRACTION	87	chain 'R' and (resid 156 through 186 )
88	X-RAY DIFFRACTION	88	chain 'R' and (resid 187 through 197 )
89	X-RAY DIFFRACTION	89	chain 'R' and (resid 198 through 213 )
90	X-RAY DIFFRACTION	90	chain 'S' and (resid 1 through 16 )
91	X-RAY DIFFRACTION	91	chain 'S' and (resid 17 through 34 )
92	X-RAY DIFFRACTION	92	chain 'S' and (resid 35 through 76 )
93	X-RAY DIFFRACTION	93	chain 'S' and (resid 77 through 98 )
94	X-RAY DIFFRACTION	94	chain 'S' and (resid 99 through 111 )
95	X-RAY DIFFRACTION	95	chain 'S' and (resid 112 through 139 )
96	X-RAY DIFFRACTION	96	chain 'S' and (resid 140 through 162 )
97	X-RAY DIFFRACTION	97	chain 'S' and (resid 163 through 196 )
98	X-RAY DIFFRACTION	98	chain 'S' and (resid 197 through 218 )
99	X-RAY DIFFRACTION	99	chain 'T' and (resid 1 through 25 )
100	X-RAY DIFFRACTION	100	chain 'T' and (resid 26 through 90 )
101	X-RAY DIFFRACTION	101	chain 'T' and (resid 91 through 136 )
102	X-RAY DIFFRACTION	102	chain 'T' and (resid 137 through 163 )
103	X-RAY DIFFRACTION	103	chain 'T' and (resid 164 through 197 )
104	X-RAY DIFFRACTION	104	chain 'T' and (resid 198 through 211 )