PDB-4bww: Crystal structure of spin labelled azurin T21R1.

ID or keywords:

Entry

Database: PDB / ID: 4bww

Title

Crystal structure of spin labelled azurin T21R1.

Components

AZURIN

Keywords

ELECTRON TRANSPORT

Function / homology

Function and homology information

transition metal ion binding /

electron transfer activity /

periplasmic space / copper ion binding / zinc ion binding / identical protein binding
Similarity search - Function

Biological species

PSEUDOMONAS AERUGINOSA (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.48 Å

Authors

Hagelueken, G.

Citation

Journal: Bmc Struct.Biol. / Year: 2014
Title: High-Resolution Crystal Structure of Spin Labelled (T21R1) Azurin from Pseudomonas Aeruginosa: A Challenging Structural Benchmark for in Silico Spin Labelling Algorithms.
Authors: Florin, N. / Schiemann, O. / Hagelueken, G.

History

Deposition	Jul 4, 2013	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jun 11, 2014	Provider: repository / Type: Initial release
Revision 1.1	Dec 20, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4bww.cif.gz	227.8 KB	Display	PDBx/mmCIF format
PDB format	pdb4bww.ent.gz	186.4 KB	Display	PDB format
PDBx/mmJSON format	4bww.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/bw/4bww ftp://data.pdbj.org/pub/pdb/validation_reports/bw/4bww	HTTPS FTP

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Related structure data

Related structure data	1e67S S: Starting model for refinement
Similar structure data	2fji-2 2fji-1 6rpu-d 4i7c-d 2j42-d 3h4z-3 3hul-d 2d4y-2 1e7l-d Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: AZURIN

B: AZURIN

C: AZURIN

D: AZURIN

hetero molecules

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

1

Idetical with deposited unit
defined by software

Unit cell

Length a, b, c (Å)	36.950, 53.660, 73.210
Angle α, β, γ (deg.)	74.40, 89.33, 83.41
Int Tables number	1
Space group name H-M	P1

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Protein , 1 types, 4 molecules ABCD

#1: Protein	AZURIN / Mass: 14407.444 Da / Num. of mol.: 4 / Mutation: YES Source method: isolated from a genetically manipulated source Details: MTSSL SPIN LABEL ATTACHED TO CYSTEINE INTRODUCED AT POSITION 21 Source: (gene. exp.) PSEUDOMONAS AERUGINOSA (bacteria) / Strain: PAO1 / Plasmid: PEHISGSTTEV / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / Variant (production host): ROSETTA / References: UniProt: P00282

#1: Protein

AZURIN /

Mass: 14407.444 Da / Num. of mol.: 4 / Mutation: YES
Source method: isolated from a genetically manipulated source
Details: MTSSL SPIN LABEL ATTACHED TO CYSTEINE INTRODUCED AT POSITION 21
Source: (gene. exp.)

PSEUDOMONAS AERUGINOSA (bacteria) / Strain: PAO1 / Plasmid: PEHISGSTTEV / Production host:

ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / Variant (production host): ROSETTA / References: UniProt: P00282

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Non-polymers , 5 types, 511 molecules

#2: Chemical	ChemComp-CU / COPPER (II) ION / Copper Mass: 63.546 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Cu
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol Mass: 92.094 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Chemical	ChemComp-NO3 / NITRATE ION / Nitrate Mass: 62.005 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: NO₃
#5: Chemical	ChemComp-SO4 / SULFATE ION / Sulfate Mass: 96.063 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: SO₄
#6: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 489 / Source method: isolated from a natural source / Formula: H₂O

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Details

Sequence details	CYS INTRODUCED AT POSITION 21 OF NATIVE PROTEIN

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 2.41 Å³/Da / Density % sol: 49 % / Description: NONE
Crystal grow	Details: 2.14 M AMMONIUM SULFATE, 0.28 M AMMONIUM NITRATE, 0.1 M SODIUM CACODYLATE PH 6.0

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.918409
Detector	Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jun 26, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.918409 Å / Relative weight: 1
Reflection	Resolution: 1.5→51.3 Å / Num. obs: 82307 / % possible obs: 91.8 % / Observed criterion σ(I): 1.1 / Redundancy: 1.9 % / B_iso Wilson estimate: 14.25 Å² / R_merge(I) obs: 0.07 / Net I/σ(I): 5.5
Reflection shell	Highest resolution: 1.48 Å / Redundancy: 1.9 % / R_merge(I) obs: 0.47 / Mean I/σ(I) obs: 1.1 / % possible all: 90.9

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
iMOSFLM		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1E67

1e67

Resolution: 1.48→48.123 Å / SU ML: 0.21 / σ(F): 1.96 / Phase error: 24.82 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2104	1999	2.4 %
R_work	0.1794	-	-
obs	0.1802	82294	91.78 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 1.48→48.123 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3940	0	97	489	4526

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.009	4191
X-RAY DIFFRACTION	f_angle_d	1.258	5668
X-RAY DIFFRACTION	f_dihedral_angle_d	21.645	1641
X-RAY DIFFRACTION	f_chiral_restr	0.08	617
X-RAY DIFFRACTION	f_plane_restr	0.005	731

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
1.48-1.517	0.3956	139	0.35	5581	X-RAY DIFFRACTION	91
1.517-1.558	0.329	143	0.3199	5745	X-RAY DIFFRACTION	91
1.558-1.6039	0.2966	141	0.2882	5645	X-RAY DIFFRACTION	90
1.6039-1.6557	0.2754	137	0.2745	5524	X-RAY DIFFRACTION	89
1.6557-1.7148	0.2987	140	0.2506	5639	X-RAY DIFFRACTION	90
1.7148-1.7835	0.2529	145	0.2282	5796	X-RAY DIFFRACTION	92
1.7835-1.8647	0.2338	144	0.2139	5767	X-RAY DIFFRACTION	92
1.8647-1.963	0.2294	140	0.1884	5649	X-RAY DIFFRACTION	90
1.963-2.086	0.2084	139	0.1665	5634	X-RAY DIFFRACTION	90
2.086-2.247	0.1982	145	0.1603	5788	X-RAY DIFFRACTION	93
2.247-2.4731	0.1986	146	0.1609	5877	X-RAY DIFFRACTION	93
2.4731-2.831	0.1741	145	0.1556	5819	X-RAY DIFFRACTION	93
2.831-3.5666	0.1612	147	0.1479	5904	X-RAY DIFFRACTION	95
3.5666-48.1489	0.1894	148	0.1407	5927	X-RAY DIFFRACTION	95

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	2.5977	1.1576	2.6472	5.2761	-0.0092	3.2108	-0.0813	1.1709	-0.3475	-0.5999	0.5001	-0.1535	0.301	0.7934	-0.3848	0.1966	-0.0111	0.0009	0.283	-0.0712	0.1684	46.411	-39.4988	3.6247
2	4.3673	-3.863	2.9839	5.3718	-0.9041	4.9937	0.0256	0.2705	0.0817	-0.2251	-0.0807	-0.2479	-0.0139	0.3529	0.0811	0.1003	-0.0315	0.0176	0.157	0.0113	0.1386	52.8156	-29.123	13.1506
3	6.1654	2.5206	5.0961	4.2984	3.7956	5.1298	-0.5427	0.4954	0.2401	-1.2482	0.4182	0.456	-0.3163	0.1231	0.0892	0.334	-0.0222	-0.0986	0.2197	-0.0134	0.1963	36.7639	-36.6735	0.7702
4	1.9663	-0.4463	1.8011	1.0877	0.3798	2.5079	0.07	0.0307	-0.1662	-0.1468	-0.0017	-0.1261	0.1021	0.0242	-0.0583	0.0626	-0.0053	-0.0026	0.1405	-0.0106	0.1264	50.3523	-37.8061	15.9875
5	1.7228	-1.7695	-0.3545	3.1296	-1.5749	3.9352	0.0101	-0.0961	0.1573	0.1249	0.0944	0.0283	-0.2697	0.0977	-0.0433	0.0463	-0.0153	-0.0169	0.1435	-0.0202	0.1312	37.4776	-30.0577	22.219
6	7.4715	-0.0009	4.2558	4.9415	0.6731	3.4615	0.298	-0.8499	-0.6193	0.3445	-0.1835	0.0328	0.1737	0.0996	-0.0972	0.1485	-0.0283	-0.0282	0.2638	0.0769	0.1577	42.7686	-38.3468	28.4093
7	6.115	-0.5438	-0.7936	2.7703	0.0137	1.905	-0.0129	-0.1788	-0.4461	0.0211	-0.009	0.0325	0.1042	0.084	0.0192	0.0677	-0.0162	-0.0297	0.1104	0.008	0.1063	42.5926	-39.7216	20.0023
8	6.3991	-1.0857	1.8158	5.5118	0.5575	2.8692	0.0107	0.0819	-0.1208	-0.4029	-0.0147	0.6222	-0.1903	-0.2504	-0.055	0.1845	-0.0035	-0.0567	0.1472	-0.0086	0.1494	34.9015	-38.7366	9.2815
9	3.924	0.5006	2.0042	2.6763	0.0283	3.0049	-0.0601	-0.0486	0.0547	-0.2047	0.061	0.1526	-0.1428	0.0091	0.0228	0.0574	0.0154	-0.0137	0.1225	-0.0118	0.1268	42.056	-29.543	14.1911
10	7.2427	2.9779	-3.2055	3.1658	1.2858	4.9408	-0.1332	0.1957	0.4946	0.1239	0.6711	1.5245	-0.7407	-0.266	-0.6761	0.2621	0.025	0.0274	0.15	0.0639	0.2771	32.8968	-2.8846	-1.1372
11	1.49	-0.4988	0.5941	2.5996	-0.7341	2.0753	-0.1158	-0.0958	-0.1099	0.1852	0.2344	0.3678	-0.0997	-0.0867	-0.1162	0.1835	0.0226	0.0545	0.1133	0.0253	0.1421	35.7341	-10.3186	2.9685
12	1.3956	-0.3997	0.1162	2.6703	-1.0691	2.1756	-0.1393	-0.1539	0.0104	0.6397	0.0775	-0.1888	-0.2213	0.0571	0.0482	0.2658	-0.0014	-0.0302	0.1209	0.0044	0.096	47.9463	-12.9683	8.0452
13	4.2421	-0.6971	-3.6592	3.5318	-0.1463	8.0457	-0.2512	0.0126	0.0983	0.1959	0.1139	-0.0733	-0.0843	0.2662	0.1014	0.2521	-0.0458	-0.037	0.1459	-0.0006	0.1105	45.4635	-2.8808	-3.0022
14	1.7703	0.5428	-0.2271	5.4316	-4.64	5.2508	-0.0926	0.0264	-0.0483	-0.1412	0.1904	0.1407	0.0438	-0.0142	-0.1251	0.1665	-0.008	0.0162	0.1122	-0.0102	0.0904	42.257	-14.6983	-0.8638
15	0.588	1.7407	1.1356	6.9307	4.686	3.1815	0.232	-0.0117	-0.166	0.8271	0.403	-0.7907	0.3465	1.0861	-0.683	0.2756	-0.0453	-0.0831	0.2721	-0.0319	0.186	69.2804	-17.0112	42.3339
16	1.9883	0.0291	-2.2323	2.6182	-1.1086	2.9535	-0.0124	0.0656	-0.0159	0.0115	-0.073	-0.0214	-0.047	0.2259	0.1207	0.1732	0.0209	-0.034	0.1756	-0.008	0.1492	63.2559	-27.0384	32.4349
17	2.5391	1.9937	1.4509	4.3521	5.1812	8.0409	0.0371	-0.2784	-0.0038	1.0352	0.1104	-0.2784	0.1726	0.1058	-0.2041	0.3898	-0.0486	-0.0637	0.197	-0.0034	0.1697	65.4886	-17.9643	51.9669
18	1.2817	0.207	0.9131	3.0871	3.3468	8.431	0.0248	0.0444	0.0493	-0.0967	0.1665	-0.1276	-0.5974	0.4933	-0.2173	0.1645	-0.0517	-0.011	0.1357	0.007	0.1099	64.0499	-16.469	34.1301
19	1.8322	1.5013	3.0024	1.1189	2.0657	8.5866	-0.1237	0.0365	0.2049	-0.0709	-0.0943	0.1223	0.0552	-0.1492	0.2073	0.1779	0.0012	-0.0466	0.156	-0.0179	0.1601	56.8953	-20.0908	28.775
20	3.3064	0.0632	3.1227	4.192	-1.6107	5.3828	0.1599	0.3489	-0.5696	-0.0064	0.0271	0.5155	0.2338	-0.6292	-0.1922	0.0931	0.0165	-0.0046	0.2475	-0.0668	0.2294	47.41	-22.4677	39.8434
21	5.0849	-0.9055	0.3115	6.5844	0.193	0.0343	0.0442	0.4055	0.3248	-1.0981	-0.226	0.4993	-1.1774	-0.6287	0.0078	0.4176	0.1641	-0.1221	0.3162	-0.008	0.2633	47.0023	-14.5712	30.664
22	8.2097	-0.0648	-3.2414	4.8156	0.9941	6.4091	0.1184	-0.1978	0.2969	0.191	-0.0357	0.3935	-0.7171	-0.2016	-0.091	0.2121	0.0502	-0.0195	0.1253	-0.0244	0.166	50.8003	-13.637	40.1644
23	1.9593	-0.7252	-0.331	4.6994	2.0561	7.987	0.0925	0.0349	0.1219	-0.2128	-0.0372	-0.0348	-0.8038	0.1029	-0.041	0.2101	-0.0118	-0.0262	0.1336	0.0024	0.1308	60.4585	-12.5384	38.2085
24	4.3226	-0.3706	-1.3409	2.4307	0.8442	8.5129	0.1326	-0.3806	-0.2276	1.0744	-0.0591	0.0881	0.4215	-0.0315	-0.0718	0.3982	-0.0774	0.0249	0.1805	0.0287	0.166	55.2689	-22.4019	49.8342
25	4.0415	-1.3986	-0.8431	5.2505	1.1187	1.9202	0.1093	0.2002	-0.1404	-0.1201	-0.2047	0.3974	0.3136	-0.2397	0.0644	0.1716	-0.0034	-0.0451	0.1679	-0.0369	0.1318	53.9455	-25.9606	32.2683
26	6.5329	1.6472	1.8707	9.4431	5.819	3.9091	0.0892	-0.3749	0.1251	0.5325	0.1243	-0.4385	0.1318	0.3629	-0.2822	0.2688	-0.0239	-0.0216	0.1403	0.0116	0.1459	60.8194	-23.8829	48.9568
27	3.7858	-4.8392	-0.7043	6.2459	1.0977	0.6494	-0.2441	-0.4399	-0.546	1.0238	0.518	0.9465	0.2518	-0.1697	-0.4377	0.3914	-0.053	0.0201	0.191	0.0462	0.265	58.2899	-50.6331	59.0372
28	8.9925	-4.4999	4.8789	3.7861	-1.877	4.7885	-0.0438	-0.2458	0.2151	0.3461	0.1209	0.1146	-0.3689	-0.2668	-0.0178	0.2672	-0.0177	0.0833	0.1418	0.0241	0.1802	57.112	-35.8918	55.8871
29	2.9026	0.6305	-0.6969	6.823	5.099	4.303	0.1933	-0.0631	-0.51	-0.0454	-0.0132	-0.1454	0.7031	0.0767	-0.1829	0.3102	-0.016	-0.0721	0.1364	0.0153	0.1788	68.3271	-54.9988	59.1138
30	1.2985	-1.9446	0.5155	3.1045	-0.6649	1.0263	0.1715	0.107	-0.1179	-0.1726	0.0086	0.335	0.1257	-0.1369	-0.1722	0.2279	-0.0196	0.0031	0.1219	0.0124	0.1505	57.2147	-42.315	48.8383
31	5.9605	-2.3868	0.3052	5.8545	-2.5292	1.8635	0.0817	0.194	0.6692	-0.4865	-0.428	-0.0432	-0.072	0.4135	-0.0653	0.4055	0.071	0.0571	0.1352	0.0345	0.1427	65.5489	-36.7382	38.9721
32	2.2955	0.7486	0.7084	6.1341	1.3614	4.459	0.6495	0.7352	-0.4044	-0.8712	-0.5423	0.707	0.796	-0.0392	0.2179	0.5391	0.0353	-0.1585	0.1668	-0.068	0.1779	57.6257	-41.4173	36.2115
33	3.7815	-3.5545	-1.9265	4.5898	0.1024	3.5326	0.5078	0.4446	-0.6853	-1.2293	-0.316	0.4645	0.8294	0.1628	0.576	0.5278	0.1263	-0.0134	0.1584	-0.0654	0.0586	63.9154	-47.8243	40.9266
34	6.2757	-4.9161	2.9527	8.6495	-2.1303	1.7934	0.3967	-0.0658	-0.6154	-0.3462	-0.0702	0.9188	0.2653	-0.0694	-0.2853	0.2949	-0.0425	-0.0444	0.1427	-0.011	0.1839	56.9855	-49.819	48.3526
35	6.2292	-3.4564	0.781	6.8556	-1.4869	6.4418	0.1025	0.0053	0.1059	-0.1271	-0.2165	-0.6184	0.1536	0.6122	0.0695	0.2048	-0.0106	-0.0009	0.1691	0.0302	0.1596	72.7412	-46.9168	51.3271
36	2.8218	-2.6045	1.7708	5.4511	-1.9008	2.3541	0.0268	0.0403	0.0419	0.2416	-0.0596	-0.0765	-0.1043	0.109	0.0745	0.1996	-0.0218	0.012	0.13	0.0029	0.1054	64.611	-39.2675	50.6862

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN A AND (RESID 1 THROUGH 8 )
2	X-RAY DIFFRACTION	2	CHAIN A AND (RESID 9 THROUGH 18 )
3	X-RAY DIFFRACTION	3	CHAIN A AND (RESID 19 THROUGH 27 )
4	X-RAY DIFFRACTION	4	CHAIN A AND (RESID 28 THROUGH 48 )
5	X-RAY DIFFRACTION	5	CHAIN A AND (RESID 49 THROUGH 66 )
6	X-RAY DIFFRACTION	6	CHAIN A AND (RESID 67 THROUGH 75 )
7	X-RAY DIFFRACTION	7	CHAIN A AND (RESID 76 THROUGH 91 )
8	X-RAY DIFFRACTION	8	CHAIN A AND (RESID 92 THROUGH 107 )
9	X-RAY DIFFRACTION	9	CHAIN A AND (RESID 108 THROUGH 128 )
10	X-RAY DIFFRACTION	10	CHAIN B AND (RESID 1 THROUGH 8 )
11	X-RAY DIFFRACTION	11	CHAIN B AND (RESID 9 THROUGH 48 )
12	X-RAY DIFFRACTION	12	CHAIN B AND (RESID 49 THROUGH 91 )
13	X-RAY DIFFRACTION	13	CHAIN B AND (RESID 92 THROUGH 107 )
14	X-RAY DIFFRACTION	14	CHAIN B AND (RESID 108 THROUGH 128 )
15	X-RAY DIFFRACTION	15	CHAIN C AND (RESID 1 THROUGH 8 )
16	X-RAY DIFFRACTION	16	CHAIN C AND (RESID 9 THROUGH 18 )
17	X-RAY DIFFRACTION	17	CHAIN C AND (RESID 19 THROUGH 27 )
18	X-RAY DIFFRACTION	18	CHAIN C AND (RESID 28 THROUGH 40 )
19	X-RAY DIFFRACTION	19	CHAIN C AND (RESID 41 THROUGH 48 )
20	X-RAY DIFFRACTION	20	CHAIN C AND (RESID 49 THROUGH 66 )
21	X-RAY DIFFRACTION	21	CHAIN C AND (RESID 67 THROUGH 75 )
22	X-RAY DIFFRACTION	22	CHAIN C AND (RESID 76 THROUGH 85 )
23	X-RAY DIFFRACTION	23	CHAIN C AND (RESID 86 THROUGH 101 )
24	X-RAY DIFFRACTION	24	CHAIN C AND (RESID 102 THROUGH 111 )
25	X-RAY DIFFRACTION	25	CHAIN C AND (RESID 112 THROUGH 121 )
26	X-RAY DIFFRACTION	26	CHAIN C AND (RESID 122 THROUGH 128 )
27	X-RAY DIFFRACTION	27	CHAIN D AND (RESID 1 THROUGH 8 )
28	X-RAY DIFFRACTION	28	CHAIN D AND (RESID 9 THROUGH 18 )
29	X-RAY DIFFRACTION	29	CHAIN D AND (RESID 19 THROUGH 27 )
30	X-RAY DIFFRACTION	30	CHAIN D AND (RESID 28 THROUGH 55 )
31	X-RAY DIFFRACTION	31	CHAIN D AND (RESID 56 THROUGH 66 )
32	X-RAY DIFFRACTION	32	CHAIN D AND (RESID 67 THROUGH 75 )
33	X-RAY DIFFRACTION	33	CHAIN D AND (RESID 76 THROUGH 85 )
34	X-RAY DIFFRACTION	34	CHAIN D AND (RESID 86 THROUGH 101 )
35	X-RAY DIFFRACTION	35	CHAIN D AND (RESID 102 THROUGH 111 )
36	X-RAY DIFFRACTION	36	CHAIN D AND (RESID 112 THROUGH 128 )

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