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- PDB-3e1m: Crystal structure of E. coli Bacterioferritin (BFR) obtained afte... -

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Open data

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Basic information

Entry

Database: PDB / ID: 3e1m

Title

Crystal structure of E. coli Bacterioferritin (BFR) obtained after soaking APO-BFR crystals for 2.5 minutes in FE2+ (2.5M FE(II)-BFR)

Components

BACTERIOFERRITIN

Keywords

METAL BINDING PROTEIN / BACTERIOFERRITIN. RHOMBIC DODECAHEDRAL SUPERSTRUCTURE. / HEME / IRON / IRON STORAGE / METAL-BINDING

Function / homology

Function and homology information

iron ion sequestering activity / ferroxidase / ferroxidase activity / ferric iron binding / iron ion transport / intracellular iron ion homeostasis / oxidoreductase activity / iron ion binding / heme binding / protein homodimerization activity ...
Similarity search - Function

Biological species

ESCHERICHIA COLI (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.7 Å

Authors

Crow, A. / Lawson, T. / Lewin, A. / Moore, G.R. / Le Brun, N.

Citation

Journal: J.Am.Chem.Soc. / Year: 2009
Title: Structural basis for iron mineralization by bacterioferritin
Authors: Crow, A. / Lawson, T.L. / Lewin, A. / Moore, G.R. / Le Brun, N.E.

History

Deposition	Aug 4, 2008	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 5, 2009	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Feb 21, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_conn / struct_ncs_dom_lim / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _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_comp_id / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Remark 650

HELIX DETERMINATION METHOD: AUTHOR

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	3e1m.cif.gz	405.5 KB	Display	PDBx/mmCIF format
PDB format	pdb3e1m.ent.gz	330.6 KB	Display	PDB format
PDBx/mmJSON format	3e1m.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/e1/3e1m ftp://data.pdbj.org/pub/pdb/validation_reports/e1/3e1m	HTTPS FTP

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Related structure data

Related structure data	3e1jC 3e1lC 3e1nC 3e1oC 3e1pC 3e1q C: citing same article (ref.)
Similar structure data	3ghq-1 6p8k-1 3e1p-1 3e1q-1 3isf-1 1bcf-1 3bkn-1 2vxi-1 2y3q-1 3uoi-1 Search similar-shape structures by Omokage search (details) 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
Related items in Molecule of the Month	#35 - Nov 2002 Ferritin and Transferrin similarity (6) #111 - Mar 2009 Hydrogenase similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #244 - Apr 2020 Photosynthetic Supercomplexes similarity (1) #114 - Jun 2009 Vaults similarity (1) #57 - Sep 2004 Catalase similarity (1) #147 - Mar 2012 Rhodopsin similarity (1) #61 - Jan 2005 Phenylalanine Hydroxylase similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#35 - Nov 2002
Ferritin and Transferrin
similarity (6)
#111 - Mar 2009
Hydrogenase
similarity (1)
#240 - Dec 2019
Hypoxia-Inducible Factors
similarity (1)
#244 - Apr 2020
Photosynthetic Supercomplexes
similarity (1)
#114 - Jun 2009
Vaults
similarity (1)
#57 - Sep 2004
Catalase
similarity (1)
#147 - Mar 2012
Rhodopsin
similarity (1)
#61 - Jan 2005
Phenylalanine Hydroxylase
similarity (1)

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Assembly

Deposited unit

A: BACTERIOFERRITIN

B: BACTERIOFERRITIN

C: BACTERIOFERRITIN

D: BACTERIOFERRITIN

E: BACTERIOFERRITIN

F: BACTERIOFERRITIN

G: BACTERIOFERRITIN

H: BACTERIOFERRITIN

I: BACTERIOFERRITIN

J: BACTERIOFERRITIN

K: BACTERIOFERRITIN

L: BACTERIOFERRITIN

hetero molecules

229 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: BACTERIOFERRITIN

B: BACTERIOFERRITIN

C: BACTERIOFERRITIN

D: BACTERIOFERRITIN

E: BACTERIOFERRITIN

F: BACTERIOFERRITIN

G: BACTERIOFERRITIN

H: BACTERIOFERRITIN

I: BACTERIOFERRITIN

J: BACTERIOFERRITIN

K: BACTERIOFERRITIN

L: BACTERIOFERRITIN

hetero molecules

A: BACTERIOFERRITIN

B: BACTERIOFERRITIN

C: BACTERIOFERRITIN

D: BACTERIOFERRITIN

E: BACTERIOFERRITIN

F: BACTERIOFERRITIN

G: BACTERIOFERRITIN

H: BACTERIOFERRITIN

I: BACTERIOFERRITIN

J: BACTERIOFERRITIN

K: BACTERIOFERRITIN

L: BACTERIOFERRITIN

hetero molecules

defined by author&software
459 kDa, 24 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	207.972, 207.972, 142.878
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	94
Space group name H-M	P4₂2₁2

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D
5	1	E
6	1	F
7	1	G
8	1	H
9	1	I
10	1	J
11	1	K
12	1	L
13	1	A
14	1	B
15	1	C
16	1	D
17	1	E
18	1	F
19	1	G
20	1	H
21	1	I
22	1	J
23	1	K
24	1	L
25	1	A
26	1	B
27	1	C
28	1	D
29	1	E
30	1	F
31	1	G
32	1	H
33	1	I
34	1	J
35	1	K
36	1	L
37	1	A
38	1	B
39	1	C
40	1	D
41	1	E
42	1	F
43	1	G
44	1	H
45	1	I
46	1	J
47	1	K
48	1	L
49	1	A
50	1	B
51	1	C
52	1	D
53	1	E
54	1	F
55	1	G
56	1	H
57	1	I
58	1	J
59	1	K
60	1	L
61	1	A
62	1	B
63	1	C
64	1	D
65	1	E
66	1	F
67	1	G
68	1	H
69	1	I
70	1	J
71	1	K
72	1	L
1	2	B
2	2	A
3	2	C
4	2	D
5	2	E
6	2	F
7	2	G
8	2	H
9	2	I
10	2	J
11	2	K
12	2	L
13	2	B
14	2	A
15	2	C
16	2	D
17	2	E
18	2	F
19	2	G
20	2	H
21	2	I
22	2	J
23	2	K
24	2	L
25	2	B
26	2	A
27	2	C
28	2	D
29	2	E
30	2	F
31	2	G
32	2	H
33	2	I
34	2	J
35	2	K
36	2	L
37	2	B
38	2	A
39	2	C
40	2	D
41	2	E
42	2	F
43	2	G
44	2	H
45	2	I
46	2	J
47	2	K
48	2	L
49	2	B
50	2	A
51	2	C
52	2	D
53	2	E
54	2	F
55	2	G
56	2	H
57	2	I
58	2	J
59	2	K
60	2	L
61	2	B
62	2	A
63	2	C
64	2	D
65	2	E
66	2	F
67	2	G
68	2	H
69	2	I
70	2	J
71	2	K
72	2	L
1	3	C
2	3	A
3	3	B
4	3	D
5	3	E
6	3	F
7	3	G
8	3	H
9	3	I
10	3	J
11	3	K
12	3	L
13	3	C
14	3	A
15	3	B
16	3	D
17	3	E
18	3	F
19	3	G
20	3	H
21	3	I
22	3	J
23	3	K
24	3	L
25	3	C
26	3	A
27	3	B
28	3	D
29	3	E
30	3	F
31	3	G
32	3	H
33	3	I
34	3	J
35	3	K
36	3	L
37	3	C
38	3	A
39	3	B
40	3	D
41	3	E
42	3	F
43	3	G
44	3	H
45	3	I
46	3	J
47	3	K
48	3	L
49	3	C
50	3	A
51	3	B
52	3	D
53	3	E
54	3	F
55	3	G
56	3	H
57	3	I
58	3	J
59	3	K
60	3	L
61	3	C
62	3	A
63	3	B
64	3	D
65	3	E
66	3	F
67	3	G
68	3	H
69	3	I
70	3	J
71	3	K
72	3	L
1	4	D
2	4	A
3	4	B
4	4	C
5	4	E
6	4	F
7	4	G
8	4	H
9	4	I
10	4	J
11	4	K
12	4	L
13	4	D
14	4	A
15	4	B
16	4	C
17	4	E
18	4	F
19	4	G
20	4	H
21	4	I
22	4	J
23	4	K
24	4	L
25	4	D
26	4	A
27	4	B
28	4	C
29	4	E
30	4	F
31	4	G
32	4	H
33	4	I
34	4	J
35	4	K
36	4	L
37	4	D
38	4	A
39	4	B
40	4	C
41	4	E
42	4	F
43	4	G
44	4	H
45	4	I
46	4	J
47	4	K
48	4	L
49	4	D
50	4	A
51	4	B
52	4	C
53	4	E
54	4	F
55	4	G
56	4	H
57	4	I
58	4	J
59	4	K
60	4	L
61	4	D
62	4	A
63	4	B
64	4	C
65	4	E
66	4	F
67	4	G
68	4	H
69	4	I
70	4	J
71	4	K
72	4	L
1	5	E
2	5	A
3	5	B
4	5	C
5	5	D
6	5	F
7	5	G
8	5	H
9	5	I
10	5	J
11	5	K
12	5	L
13	5	E
14	5	A
15	5	B
16	5	C
17	5	D
18	5	F
19	5	G
20	5	H
21	5	I
22	5	J
23	5	K
24	5	L
25	5	E
26	5	A
27	5	B
28	5	C
29	5	D
30	5	F
31	5	G
32	5	H
33	5	I
34	5	J
35	5	K
36	5	L
37	5	E
38	5	A
39	5	B
40	5	C
41	5	D
42	5	F
43	5	G
44	5	H
45	5	I
46	5	J
47	5	K
48	5	L
49	5	E
50	5	A
51	5	B
52	5	C
53	5	D
54	5	F
55	5	G
56	5	H
57	5	I
58	5	J
59	5	K
60	5	L
61	5	E
62	5	A
63	5	B
64	5	C
65	5	D
66	5	F
67	5	G
68	5	H
69	5	I
70	5	J
71	5	K
72	5	L
1	6	F
2	6	A
3	6	B
4	6	C
5	6	D
6	6	E
7	6	G
8	6	H
9	6	I
10	6	J
11	6	K
12	6	L
13	6	F
14	6	A
15	6	B
16	6	C
17	6	D
18	6	E
19	6	G
20	6	H
21	6	I
22	6	J
23	6	K
24	6	L
25	6	F
26	6	A
27	6	B
28	6	C
29	6	D
30	6	E
31	6	G
32	6	H
33	6	I
34	6	J
35	6	K
36	6	L
37	6	F
38	6	A
39	6	B
40	6	C
41	6	D
42	6	E
43	6	G
44	6	H
45	6	I
46	6	J
47	6	K
48	6	L
49	6	F
50	6	A
51	6	B
52	6	C
53	6	D
54	6	E
55	6	G
56	6	H
57	6	I
58	6	J
59	6	K
60	6	L
61	6	F
62	6	A
63	6	B
64	6	C
65	6	D
66	6	E
67	6	G
68	6	H
69	6	I
70	6	J
71	6	K
72	6	L
1	7	G
2	7	A
3	7	B
4	7	C
5	7	D
6	7	E
7	7	F
8	7	H
9	7	I
10	7	J
11	7	K
12	7	L
13	7	G
14	7	A
15	7	B
16	7	C
17	7	D
18	7	E
19	7	F
20	7	H
21	7	I
22	7	J
23	7	K
24	7	L
25	7	G
26	7	A
27	7	B
28	7	C
29	7	D
30	7	E
31	7	F
32	7	H
33	7	I
34	7	J
35	7	K
36	7	L
37	7	G
38	7	A
39	7	B
40	7	C
41	7	D
42	7	E
43	7	F
44	7	H
45	7	I
46	7	J
47	7	K
48	7	L
49	7	G
50	7	A
51	7	B
52	7	C
53	7	D
54	7	E
55	7	F
56	7	H
57	7	I
58	7	J
59	7	K
60	7	L
61	7	G
62	7	A
63	7	B
64	7	C
65	7	D
66	7	E
67	7	F
68	7	H
69	7	I
70	7	J
71	7	K
72	7	L
1	8	H
2	8	A
3	8	B
4	8	C
5	8	D
6	8	E
7	8	F
8	8	G
9	8	I
10	8	J
11	8	K
12	8	L
13	8	H
14	8	A
15	8	B
16	8	C
17	8	D
18	8	E
19	8	F
20	8	G
21	8	I
22	8	J
23	8	K
24	8	L
25	8	H
26	8	A
27	8	B
28	8	C
29	8	D
30	8	E
31	8	F
32	8	G
33	8	I
34	8	J
35	8	K
36	8	L
37	8	H
38	8	A
39	8	B
40	8	C
41	8	D
42	8	E
43	8	F
44	8	G
45	8	I
46	8	J
47	8	K
48	8	L
49	8	H
50	8	A
51	8	B
52	8	C
53	8	D
54	8	E
55	8	F
56	8	G
57	8	I
58	8	J
59	8	K
60	8	L
61	8	H
62	8	A
63	8	B
64	8	C
65	8	D
66	8	E
67	8	F
68	8	G
69	8	I
70	8	J
71	8	K
72	8	L
1	9	I
2	9	A
3	9	B
4	9	C
5	9	D
6	9	E
7	9	F
8	9	G
9	9	H
10	9	J
11	9	K
12	9	L
13	9	I
14	9	A
15	9	B
16	9	C
17	9	D
18	9	E
19	9	F
20	9	G
21	9	H
22	9	J
23	9	K
24	9	L
25	9	I
26	9	A
27	9	B
28	9	C
29	9	D
30	9	E
31	9	F
32	9	G
33	9	H
34	9	J
35	9	K
36	9	L
37	9	I
38	9	A
39	9	B
40	9	C
41	9	D
42	9	E
43	9	F
44	9	G
45	9	H
46	9	J
47	9	K
48	9	L
49	9	I
50	9	A
51	9	B
52	9	C
53	9	D
54	9	E
55	9	F
56	9	G
57	9	H
58	9	J
59	9	K
60	9	L
61	9	I
62	9	A
63	9	B
64	9	C
65	9	D
66	9	E
67	9	F
68	9	G
69	9	H
70	9	J
71	9	K
72	9	L
1	10	J
2	10	A
3	10	B
4	10	C
5	10	D
6	10	E
7	10	F
8	10	G
9	10	H
10	10	I
11	10	K
12	10	L
13	10	J
14	10	A
15	10	B
16	10	C
17	10	D
18	10	E
19	10	F
20	10	G
21	10	H
22	10	I
23	10	K
24	10	L
25	10	J
26	10	A
27	10	B
28	10	C
29	10	D
30	10	E
31	10	F
32	10	G
33	10	H
34	10	I
35	10	K
36	10	L
37	10	J
38	10	A
39	10	B
40	10	C
41	10	D
42	10	E
43	10	F
44	10	G
45	10	H
46	10	I
47	10	K
48	10	L
49	10	J
50	10	A
51	10	B
52	10	C
53	10	D
54	10	E
55	10	F
56	10	G
57	10	H
58	10	I
59	10	K
60	10	L
61	10	J
62	10	A
63	10	B
64	10	C
65	10	D
66	10	E
67	10	F
68	10	G
69	10	H
70	10	I
71	10	K
72	10	L
1	11	K
2	11	A
3	11	B
4	11	C
5	11	D
6	11	E
7	11	F
8	11	G
9	11	H
10	11	I
11	11	J
12	11	L
13	11	K
14	11	A
15	11	B
16	11	C
17	11	D
18	11	E
19	11	F
20	11	G
21	11	H
22	11	I
23	11	J
24	11	L
25	11	K
26	11	A
27	11	B
28	11	C
29	11	D
30	11	E
31	11	F
32	11	G
33	11	H
34	11	I
35	11	J
36	11	L
37	11	K
38	11	A
39	11	B
40	11	C
41	11	D
42	11	E
43	11	F
44	11	G
45	11	H
46	11	I
47	11	J
48	11	L
49	11	K
50	11	A
51	11	B
52	11	C
53	11	D
54	11	E
55	11	F
56	11	G
57	11	H
58	11	I
59	11	J
60	11	L
61	11	K
62	11	A
63	11	B
64	11	C
65	11	D
66	11	E
67	11	F
68	11	G
69	11	H
70	11	I
71	11	J
72	11	L
1	12	L
2	12	A
3	12	B
4	12	C
5	12	D
6	12	E
7	12	F
8	12	G
9	12	H
10	12	I
11	12	J
12	12	K
13	12	L
14	12	A
15	12	B
16	12	C
17	12	D
18	12	E
19	12	F
20	12	G
21	12	H
22	12	I
23	12	J
24	12	K
25	12	L
26	12	A
27	12	B
28	12	C
29	12	D
30	12	E
31	12	F
32	12	G
33	12	H
34	12	I
35	12	J
36	12	K
37	12	L
38	12	A
39	12	B
40	12	C
41	12	D
42	12	E
43	12	F
44	12	G
45	12	H
46	12	I
47	12	J
48	12	K
49	12	L
50	12	A
51	12	B
52	12	C
53	12	D
54	12	E
55	12	F
56	12	G
57	12	H
58	12	I
59	12	J
60	12	K
61	12	L
62	12	A
63	12	B
64	12	C
65	12	D
66	12	E
67	12	F
68	12	G
69	12	H
70	12	I
71	12	J
72	12	K
1	13	B
2	13	D
3	13	F
4	13	H
5	13	J
6	13	L
1	14	D
2	14	B
3	14	F
4	14	H
5	14	J
6	14	L
1	15	F
2	15	B
3	15	D
4	15	H
5	15	J
6	15	L
1	16	H
2	16	B
3	16	D
4	16	F
5	16	J
6	16	L
1	17	J
2	17	B
3	17	D
4	17	F
5	17	H
6	17	L
1	18	L
2	18	B
3	18	D
4	18	F
5	18	H
6	18	J
7	18	L

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Refine code	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	MET	MET	ARG	ARG	1	A	A	1 - 102	1 - 102
2	1	1	MET	MET	ARG	ARG	1	B	B	1 - 102	1 - 102
3	1	1	MET	MET	ARG	ARG	1	C	C	1 - 102	1 - 102
4	1	1	MET	MET	ARG	ARG	1	D	D	1 - 102	1 - 102
5	1	1	MET	MET	ARG	ARG	1	E	E	1 - 102	1 - 102
6	1	1	MET	MET	ARG	ARG	1	F	F	1 - 102	1 - 102
7	1	1	MET	MET	ARG	ARG	1	G	G	1 - 102	1 - 102
8	1	1	MET	MET	ARG	ARG	1	H	H	1 - 102	1 - 102
9	1	1	MET	MET	ARG	ARG	1	I	I	1 - 102	1 - 102
10	1	1	MET	MET	ARG	ARG	1	J	J	1 - 102	1 - 102
11	1	1	MET	MET	ARG	ARG	1	K	K	1 - 102	1 - 102
12	1	1	MET	MET	ARG	ARG	1	L	L	1 - 102	1 - 102
13	2	1	ALA	ALA	GLU	GLU	1	A	A	104 - 156	104 - 156
14	2	1	ALA	ALA	GLU	GLU	1	B	B	104 - 156	104 - 156
15	2	1	ALA	ALA	GLU	GLU	1	C	C	104 - 156	104 - 156
16	2	1	ALA	ALA	GLU	GLU	1	D	D	104 - 156	104 - 156
17	2	1	ALA	ALA	GLU	GLU	1	E	E	104 - 156	104 - 156
18	2	1	ALA	ALA	GLU	GLU	1	F	F	104 - 156	104 - 156
19	2	1	ALA	ALA	GLU	GLU	1	G	G	104 - 156	104 - 156
20	2	1	ALA	ALA	GLU	GLU	1	H	H	104 - 156	104 - 156
21	2	1	ALA	ALA	GLU	GLU	1	I	I	104 - 156	104 - 156
22	2	1	ALA	ALA	GLU	GLU	1	J	J	104 - 156	104 - 156
23	2	1	ALA	ALA	GLU	GLU	1	K	K	104 - 156	104 - 156
24	2	1	ALA	ALA	GLU	GLU	1	L	L	104 - 156	104 - 156
25	3	1	GLU	GLU	GLY	GLY	4	A	A	157 - 158	157 - 158
26	3	1	GLU	GLU	GLY	GLY	4	B	B	157 - 158	157 - 158
27	3	1	GLU	GLU	GLY	GLY	4	C	C	157 - 158	157 - 158
28	3	1	GLU	GLU	GLY	GLY	4	D	D	157 - 158	157 - 158
29	3	1	GLU	GLU	GLY	GLY	4	E	E	157 - 158	157 - 158
30	3	1	GLU	GLU	GLY	GLY	4	F	F	157 - 158	157 - 158
31	3	1	GLU	GLU	GLY	GLY	4	G	G	157 - 158	157 - 158
32	3	1	GLU	GLU	GLY	GLY	4	H	H	157 - 158	157 - 158
33	3	1	GLU	GLU	GLY	GLY	4	I	I	157 - 158	157 - 158
34	3	1	GLU	GLU	GLY	GLY	4	J	J	157 - 158	157 - 158
35	3	1	GLU	GLU	GLY	GLY	4	K	K	157 - 158	157 - 158
36	3	1	GLU	GLU	GLY	GLY	4	L	L	157 - 158	157 - 158
37	4	1	FE2	FE2	FE2	FE2	1	A	N - O	300 - 301
38	4	1	FE2	FE2	FE2	FE2	1	B	S - T	300 - 301
39	4	1	FE2	FE2	FE2	FE2	1	C	Y - Z	300 - 301
40	4	1	FE2	FE2	FE2	FE2	1	D	CA - DA	300 - 301
41	4	1	FE2	FE2	FE2	FE2	1	E	HA - IA	300 - 301
42	4	1	FE2	FE2	FE2	FE2	1	F	LA - MA	300 - 301
43	4	1	FE2	FE2	FE2	FE2	1	G	RA - SA	300 - 301
44	4	1	FE2	FE2	FE2	FE2	1	H	XA - YA	300 - 301
45	4	1	FE2	FE2	FE2	FE2	1	I	BB - CB	300 - 301
46	4	1	FE2	FE2	FE2	FE2	1	J	GB - HB	300 - 301
47	4	1	FE2	FE2	FE2	FE2	1	K	KB - LB	300 - 301
48	4	1	FE2	FE2	FE2	FE2	1	L	OB - PB	300 - 301
49	5	1	SO4	SO4	SO4	SO4	1	A	M	250
50	5	1	SO4	SO4	SO4	SO4	1	B	R	250
51	5	1	SO4	SO4	SO4	SO4	1	C	X	250
52	5	1	SO4	SO4	SO4	SO4	1	D	BA	250
53	5	1	SO4	SO4	SO4	SO4	1	E	GA	250
54	5	1	SO4	SO4	SO4	SO4	1	F	KA	250
55	5	1	SO4	SO4	SO4	SO4	1	G	QA	250
56	5	1	SO4	SO4	SO4	SO4	1	H	WA	250
57	5	1	SO4	SO4	SO4	SO4	1	I	AB	250
58	5	1	SO4	SO4	SO4	SO4	1	J	FB	250
59	5	1	SO4	SO4	SO4	SO4	1	K	JB	250
60	5	1	SO4	SO4	SO4	SO4	1	L	NB	250
61	6	1	FE2	FE2	FE2	FE2	1	A	P	400
62	6	1	FE2	FE2	FE2	FE2	1	B	U	400
63	6	1	FE2	FE2	FE2	FE2	1	C	AA	400
64	6	1	FE2	FE2	FE2	FE2	1	D	EA	400
65	6	1	FE2	FE2	FE2	FE2	1	E	JA	400
66	6	1	FE2	FE2	FE2	FE2	1	F	NA	400
67	6	1	FE2	FE2	FE2	FE2	1	G	TA	400
68	6	1	FE2	FE2	FE2	FE2	1	H	ZA	400
69	6	1	FE2	FE2	FE2	FE2	1	I	DB	400
70	6	1	FE2	FE2	FE2	FE2	1	J	IB	400
71	6	1	FE2	FE2	FE2	FE2	1	K	MB	400
72	6	1	FE2	FE2	FE2	FE2	1	L	QB	400
1	1	2	MET	MET	ARG	ARG	1	B	B	1 - 102	1 - 102
2	1	2	MET	MET	ARG	ARG	1	A	A	1 - 102	1 - 102
3	1	2	MET	MET	ARG	ARG	1	C	C	1 - 102	1 - 102
4	1	2	MET	MET	ARG	ARG	1	D	D	1 - 102	1 - 102
5	1	2	MET	MET	ARG	ARG	1	E	E	1 - 102	1 - 102
6	1	2	MET	MET	ARG	ARG	1	F	F	1 - 102	1 - 102
7	1	2	MET	MET	ARG	ARG	1	G	G	1 - 102	1 - 102
8	1	2	MET	MET	ARG	ARG	1	H	H	1 - 102	1 - 102
9	1	2	MET	MET	ARG	ARG	1	I	I	1 - 102	1 - 102
10	1	2	MET	MET	ARG	ARG	1	J	J	1 - 102	1 - 102
11	1	2	MET	MET	ARG	ARG	1	K	K	1 - 102	1 - 102
12	1	2	MET	MET	ARG	ARG	1	L	L	1 - 102	1 - 102
13	2	2	ALA	ALA	GLU	GLU	1	B	B	104 - 156	104 - 156
14	2	2	ALA	ALA	GLU	GLU	1	A	A	104 - 156	104 - 156
15	2	2	ALA	ALA	GLU	GLU	1	C	C	104 - 156	104 - 156
16	2	2	ALA	ALA	GLU	GLU	1	D	D	104 - 156	104 - 156
17	2	2	ALA	ALA	GLU	GLU	1	E	E	104 - 156	104 - 156
18	2	2	ALA	ALA	GLU	GLU	1	F	F	104 - 156	104 - 156
19	2	2	ALA	ALA	GLU	GLU	1	G	G	104 - 156	104 - 156
20	2	2	ALA	ALA	GLU	GLU	1	H	H	104 - 156	104 - 156
21	2	2	ALA	ALA	GLU	GLU	1	I	I	104 - 156	104 - 156
22	2	2	ALA	ALA	GLU	GLU	1	J	J	104 - 156	104 - 156
23	2	2	ALA	ALA	GLU	GLU	1	K	K	104 - 156	104 - 156
24	2	2	ALA	ALA	GLU	GLU	1	L	L	104 - 156	104 - 156
25	3	2	GLU	GLU	GLY	GLY	4	B	B	157 - 158	157 - 158
26	3	2	GLU	GLU	GLY	GLY	4	A	A	157 - 158	157 - 158
27	3	2	GLU	GLU	GLY	GLY	4	C	C	157 - 158	157 - 158
28	3	2	GLU	GLU	GLY	GLY	4	D	D	157 - 158	157 - 158
29	3	2	GLU	GLU	GLY	GLY	4	E	E	157 - 158	157 - 158
30	3	2	GLU	GLU	GLY	GLY	4	F	F	157 - 158	157 - 158
31	3	2	GLU	GLU	GLY	GLY	4	G	G	157 - 158	157 - 158
32	3	2	GLU	GLU	GLY	GLY	4	H	H	157 - 158	157 - 158
33	3	2	GLU	GLU	GLY	GLY	4	I	I	157 - 158	157 - 158
34	3	2	GLU	GLU	GLY	GLY	4	J	J	157 - 158	157 - 158
35	3	2	GLU	GLU	GLY	GLY	4	K	K	157 - 158	157 - 158
36	3	2	GLU	GLU	GLY	GLY	4	L	L	157 - 158	157 - 158
37	4	2	FE2	FE2	FE2	FE2	1	B	S - T	300 - 301
38	4	2	FE2	FE2	FE2	FE2	1	A	N - O	300 - 301
39	4	2	FE2	FE2	FE2	FE2	1	C	Y - Z	300 - 301
40	4	2	FE2	FE2	FE2	FE2	1	D	CA - DA	300 - 301
41	4	2	FE2	FE2	FE2	FE2	1	E	HA - IA	300 - 301
42	4	2	FE2	FE2	FE2	FE2	1	F	LA - MA	300 - 301
43	4	2	FE2	FE2	FE2	FE2	1	G	RA - SA	300 - 301
44	4	2	FE2	FE2	FE2	FE2	1	H	XA - YA	300 - 301
45	4	2	FE2	FE2	FE2	FE2	1	I	BB - CB	300 - 301
46	4	2	FE2	FE2	FE2	FE2	1	J	GB - HB	300 - 301
47	4	2	FE2	FE2	FE2	FE2	1	K	KB - LB	300 - 301
48	4	2	FE2	FE2	FE2	FE2	1	L	OB - PB	300 - 301
49	5	2	SO4	SO4	SO4	SO4	1	B	R	250
50	5	2	SO4	SO4	SO4	SO4	1	A	M	250
51	5	2	SO4	SO4	SO4	SO4	1	C	X	250
52	5	2	SO4	SO4	SO4	SO4	1	D	BA	250
53	5	2	SO4	SO4	SO4	SO4	1	E	GA	250
54	5	2	SO4	SO4	SO4	SO4	1	F	KA	250
55	5	2	SO4	SO4	SO4	SO4	1	G	QA	250
56	5	2	SO4	SO4	SO4	SO4	1	H	WA	250
57	5	2	SO4	SO4	SO4	SO4	1	I	AB	250
58	5	2	SO4	SO4	SO4	SO4	1	J	FB	250
59	5	2	SO4	SO4	SO4	SO4	1	K	JB	250
60	5	2	SO4	SO4	SO4	SO4	1	L	NB	250
61	6	2	FE2	FE2	FE2	FE2	1	B	U	400
62	6	2	FE2	FE2	FE2	FE2	1	A	P	400
63	6	2	FE2	FE2	FE2	FE2	1	C	AA	400
64	6	2	FE2	FE2	FE2	FE2	1	D	EA	400
65	6	2	FE2	FE2	FE2	FE2	1	E	JA	400
66	6	2	FE2	FE2	FE2	FE2	1	F	NA	400
67	6	2	FE2	FE2	FE2	FE2	1	G	TA	400
68	6	2	FE2	FE2	FE2	FE2	1	H	ZA	400
69	6	2	FE2	FE2	FE2	FE2	1	I	DB	400
70	6	2	FE2	FE2	FE2	FE2	1	J	IB	400
71	6	2	FE2	FE2	FE2	FE2	1	K	MB	400
72	6	2	FE2	FE2	FE2	FE2	1	L	QB	400
1	1	3	MET	MET	ARG	ARG	1	C	C	1 - 102	1 - 102
2	1	3	MET	MET	ARG	ARG	1	A	A	1 - 102	1 - 102
3	1	3	MET	MET	ARG	ARG	1	B	B	1 - 102	1 - 102
4	1	3	MET	MET	ARG	ARG	1	D	D	1 - 102	1 - 102
5	1	3	MET	MET	ARG	ARG	1	E	E	1 - 102	1 - 102
6	1	3	MET	MET	ARG	ARG	1	F	F	1 - 102	1 - 102
7	1	3	MET	MET	ARG	ARG	1	G	G	1 - 102	1 - 102
8	1	3	MET	MET	ARG	ARG	1	H	H	1 - 102	1 - 102
9	1	3	MET	MET	ARG	ARG	1	I	I	1 - 102	1 - 102
10	1	3	MET	MET	ARG	ARG	1	J	J	1 - 102	1 - 102
11	1	3	MET	MET	ARG	ARG	1	K	K	1 - 102	1 - 102
12	1	3	MET	MET	ARG	ARG	1	L	L	1 - 102	1 - 102
13	2	3	ALA	ALA	GLU	GLU	1	C	C	104 - 156	104 - 156
14	2	3	ALA	ALA	GLU	GLU	1	A	A	104 - 156	104 - 156
15	2	3	ALA	ALA	GLU	GLU	1	B	B	104 - 156	104 - 156
16	2	3	ALA	ALA	GLU	GLU	1	D	D	104 - 156	104 - 156
17	2	3	ALA	ALA	GLU	GLU	1	E	E	104 - 156	104 - 156
18	2	3	ALA	ALA	GLU	GLU	1	F	F	104 - 156	104 - 156
19	2	3	ALA	ALA	GLU	GLU	1	G	G	104 - 156	104 - 156
20	2	3	ALA	ALA	GLU	GLU	1	H	H	104 - 156	104 - 156
21	2	3	ALA	ALA	GLU	GLU	1	I	I	104 - 156	104 - 156
22	2	3	ALA	ALA	GLU	GLU	1	J	J	104 - 156	104 - 156
23	2	3	ALA	ALA	GLU	GLU	1	K	K	104 - 156	104 - 156
24	2	3	ALA	ALA	GLU	GLU	1	L	L	104 - 156	104 - 156
25	3	3	GLU	GLU	GLY	GLY	4	C	C	157 - 158	157 - 158
26	3	3	GLU	GLU	GLY	GLY	4	A	A	157 - 158	157 - 158
27	3	3	GLU	GLU	GLY	GLY	4	B	B	157 - 158	157 - 158
28	3	3	GLU	GLU	GLY	GLY	4	D	D	157 - 158	157 - 158
29	3	3	GLU	GLU	GLY	GLY	4	E	E	157 - 158	157 - 158
30	3	3	GLU	GLU	GLY	GLY	4	F	F	157 - 158	157 - 158
31	3	3	GLU	GLU	GLY	GLY	4	G	G	157 - 158	157 - 158
32	3	3	GLU	GLU	GLY	GLY	4	H	H	157 - 158	157 - 158
33	3	3	GLU	GLU	GLY	GLY	4	I	I	157 - 158	157 - 158
34	3	3	GLU	GLU	GLY	GLY	4	J	J	157 - 158	157 - 158
35	3	3	GLU	GLU	GLY	GLY	4	K	K	157 - 158	157 - 158
36	3	3	GLU	GLU	GLY	GLY	4	L	L	157 - 158	157 - 158
37	4	3	FE2	FE2	FE2	FE2	1	C	Y - Z	300 - 301
38	4	3	FE2	FE2	FE2	FE2	1	A	N - O	300 - 301
39	4	3	FE2	FE2	FE2	FE2	1	B	S - T	300 - 301
40	4	3	FE2	FE2	FE2	FE2	1	D	CA - DA	300 - 301
41	4	3	FE2	FE2	FE2	FE2	1	E	HA - IA	300 - 301
42	4	3	FE2	FE2	FE2	FE2	1	F	LA - MA	300 - 301
43	4	3	FE2	FE2	FE2	FE2	1	G	RA - SA	300 - 301
44	4	3	FE2	FE2	FE2	FE2	1	H	XA - YA	300 - 301
45	4	3	FE2	FE2	FE2	FE2	1	I	BB - CB	300 - 301
46	4	3	FE2	FE2	FE2	FE2	1	J	GB - HB	300 - 301
47	4	3	FE2	FE2	FE2	FE2	1	K	KB - LB	300 - 301
48	4	3	FE2	FE2	FE2	FE2	1	L	OB - PB	300 - 301
49	5	3	SO4	SO4	SO4	SO4	1	C	X	250
50	5	3	SO4	SO4	SO4	SO4	1	A	M	250
51	5	3	SO4	SO4	SO4	SO4	1	B	R	250
52	5	3	SO4	SO4	SO4	SO4	1	D	BA	250
53	5	3	SO4	SO4	SO4	SO4	1	E	GA	250
54	5	3	SO4	SO4	SO4	SO4	1	F	KA	250
55	5	3	SO4	SO4	SO4	SO4	1	G	QA	250
56	5	3	SO4	SO4	SO4	SO4	1	H	WA	250
57	5	3	SO4	SO4	SO4	SO4	1	I	AB	250
58	5	3	SO4	SO4	SO4	SO4	1	J	FB	250
59	5	3	SO4	SO4	SO4	SO4	1	K	JB	250
60	5	3	SO4	SO4	SO4	SO4	1	L	NB	250
61	6	3	FE2	FE2	FE2	FE2	1	C	AA	400
62	6	3	FE2	FE2	FE2	FE2	1	A	P	400
63	6	3	FE2	FE2	FE2	FE2	1	B	U	400
64	6	3	FE2	FE2	FE2	FE2	1	D	EA	400
65	6	3	FE2	FE2	FE2	FE2	1	E	JA	400
66	6	3	FE2	FE2	FE2	FE2	1	F	NA	400
67	6	3	FE2	FE2	FE2	FE2	1	G	TA	400
68	6	3	FE2	FE2	FE2	FE2	1	H	ZA	400
69	6	3	FE2	FE2	FE2	FE2	1	I	DB	400
70	6	3	FE2	FE2	FE2	FE2	1	J	IB	400
71	6	3	FE2	FE2	FE2	FE2	1	K	MB	400
72	6	3	FE2	FE2	FE2	FE2	1	L	QB	400
1	1	4	MET	MET	ARG	ARG	1	D	D	1 - 102	1 - 102
2	1	4	MET	MET	ARG	ARG	1	A	A	1 - 102	1 - 102
3	1	4	MET	MET	ARG	ARG	1	B	B	1 - 102	1 - 102
4	1	4	MET	MET	ARG	ARG	1	C	C	1 - 102	1 - 102
5	1	4	MET	MET	ARG	ARG	1	E	E	1 - 102	1 - 102
6	1	4	MET	MET	ARG	ARG	1	F	F	1 - 102	1 - 102
7	1	4	MET	MET	ARG	ARG	1	G	G	1 - 102	1 - 102
8	1	4	MET	MET	ARG	ARG	1	H	H	1 - 102	1 - 102
9	1	4	MET	MET	ARG	ARG	1	I	I	1 - 102	1 - 102
10	1	4	MET	MET	ARG	ARG	1	J	J	1 - 102	1 - 102
11	1	4	MET	MET	ARG	ARG	1	K	K	1 - 102	1 - 102
12	1	4	MET	MET	ARG	ARG	1	L	L	1 - 102	1 - 102
13	2	4	ALA	ALA	GLU	GLU	1	D	D	104 - 156	104 - 156
14	2	4	ALA	ALA	GLU	GLU	1	A	A	104 - 156	104 - 156
15	2	4	ALA	ALA	GLU	GLU	1	B	B	104 - 156	104 - 156
16	2	4	ALA	ALA	GLU	GLU	1	C	C	104 - 156	104 - 156
17	2	4	ALA	ALA	GLU	GLU	1	E	E	104 - 156	104 - 156
18	2	4	ALA	ALA	GLU	GLU	1	F	F	104 - 156	104 - 156
19	2	4	ALA	ALA	GLU	GLU	1	G	G	104 - 156	104 - 156
20	2	4	ALA	ALA	GLU	GLU	1	H	H	104 - 156	104 - 156
21	2	4	ALA	ALA	GLU	GLU	1	I	I	104 - 156	104 - 156
22	2	4	ALA	ALA	GLU	GLU	1	J	J	104 - 156	104 - 156
23	2	4	ALA	ALA	GLU	GLU	1	K	K	104 - 156	104 - 156
24	2	4	ALA	ALA	GLU	GLU	1	L	L	104 - 156	104 - 156
25	3	4	GLU	GLU	GLY	GLY	4	D	D	157 - 158	157 - 158
26	3	4	GLU	GLU	GLY	GLY	4	A	A	157 - 158	157 - 158
27	3	4	GLU	GLU	GLY	GLY	4	B	B	157 - 158	157 - 158
28	3	4	GLU	GLU	GLY	GLY	4	C	C	157 - 158	157 - 158
29	3	4	GLU	GLU	GLY	GLY	4	E	E	157 - 158	157 - 158
30	3	4	GLU	GLU	GLY	GLY	4	F	F	157 - 158	157 - 158
31	3	4	GLU	GLU	GLY	GLY	4	G	G	157 - 158	157 - 158
32	3	4	GLU	GLU	GLY	GLY	4	H	H	157 - 158	157 - 158
33	3	4	GLU	GLU	GLY	GLY	4	I	I	157 - 158	157 - 158
34	3	4	GLU	GLU	GLY	GLY	4	J	J	157 - 158	157 - 158
35	3	4	GLU	GLU	GLY	GLY	4	K	K	157 - 158	157 - 158
36	3	4	GLU	GLU	GLY	GLY	4	L	L	157 - 158	157 - 158
37	4	4	FE2	FE2	FE2	FE2	1	D	CA - DA	300 - 301
38	4	4	FE2	FE2	FE2	FE2	1	A	N - O	300 - 301
39	4	4	FE2	FE2	FE2	FE2	1	B	S - T	300 - 301
40	4	4	FE2	FE2	FE2	FE2	1	C	Y - Z	300 - 301
41	4	4	FE2	FE2	FE2	FE2	1	E	HA - IA	300 - 301
42	4	4	FE2	FE2	FE2	FE2	1	F	LA - MA	300 - 301
43	4	4	FE2	FE2	FE2	FE2	1	G	RA - SA	300 - 301
44	4	4	FE2	FE2	FE2	FE2	1	H	XA - YA	300 - 301
45	4	4	FE2	FE2	FE2	FE2	1	I	BB - CB	300 - 301
46	4	4	FE2	FE2	FE2	FE2	1	J	GB - HB	300 - 301
47	4	4	FE2	FE2	FE2	FE2	1	K	KB - LB	300 - 301
48	4	4	FE2	FE2	FE2	FE2	1	L	OB - PB	300 - 301
49	5	4	SO4	SO4	SO4	SO4	1	D	BA	250
50	5	4	SO4	SO4	SO4	SO4	1	A	M	250
51	5	4	SO4	SO4	SO4	SO4	1	B	R	250
52	5	4	SO4	SO4	SO4	SO4	1	C	X	250
53	5	4	SO4	SO4	SO4	SO4	1	E	GA	250
54	5	4	SO4	SO4	SO4	SO4	1	F	KA	250
55	5	4	SO4	SO4	SO4	SO4	1	G	QA	250
56	5	4	SO4	SO4	SO4	SO4	1	H	WA	250
57	5	4	SO4	SO4	SO4	SO4	1	I	AB	250
58	5	4	SO4	SO4	SO4	SO4	1	J	FB	250
59	5	4	SO4	SO4	SO4	SO4	1	K	JB	250
60	5	4	SO4	SO4	SO4	SO4	1	L	NB	250
61	6	4	FE2	FE2	FE2	FE2	1	D	EA	400
62	6	4	FE2	FE2	FE2	FE2	1	A	P	400
63	6	4	FE2	FE2	FE2	FE2	1	B	U	400
64	6	4	FE2	FE2	FE2	FE2	1	C	AA	400
65	6	4	FE2	FE2	FE2	FE2	1	E	JA	400
66	6	4	FE2	FE2	FE2	FE2	1	F	NA	400
67	6	4	FE2	FE2	FE2	FE2	1	G	TA	400
68	6	4	FE2	FE2	FE2	FE2	1	H	ZA	400
69	6	4	FE2	FE2	FE2	FE2	1	I	DB	400
70	6	4	FE2	FE2	FE2	FE2	1	J	IB	400
71	6	4	FE2	FE2	FE2	FE2	1	K	MB	400
72	6	4	FE2	FE2	FE2	FE2	1	L	QB	400
1	1	5	MET	MET	ARG	ARG	1	E	E	1 - 102	1 - 102
2	1	5	MET	MET	ARG	ARG	1	A	A	1 - 102	1 - 102
3	1	5	MET	MET	ARG	ARG	1	B	B	1 - 102	1 - 102
4	1	5	MET	MET	ARG	ARG	1	C	C	1 - 102	1 - 102
5	1	5	MET	MET	ARG	ARG	1	D	D	1 - 102	1 - 102
6	1	5	MET	MET	ARG	ARG	1	F	F	1 - 102	1 - 102
7	1	5	MET	MET	ARG	ARG	1	G	G	1 - 102	1 - 102
8	1	5	MET	MET	ARG	ARG	1	H	H	1 - 102	1 - 102
9	1	5	MET	MET	ARG	ARG	1	I	I	1 - 102	1 - 102
10	1	5	MET	MET	ARG	ARG	1	J	J	1 - 102	1 - 102
11	1	5	MET	MET	ARG	ARG	1	K	K	1 - 102	1 - 102
12	1	5	MET	MET	ARG	ARG	1	L	L	1 - 102	1 - 102
13	2	5	ALA	ALA	GLU	GLU	1	E	E	104 - 156	104 - 156
14	2	5	ALA	ALA	GLU	GLU	1	A	A	104 - 156	104 - 156
15	2	5	ALA	ALA	GLU	GLU	1	B	B	104 - 156	104 - 156
16	2	5	ALA	ALA	GLU	GLU	1	C	C	104 - 156	104 - 156
17	2	5	ALA	ALA	GLU	GLU	1	D	D	104 - 156	104 - 156
18	2	5	ALA	ALA	GLU	GLU	1	F	F	104 - 156	104 - 156
19	2	5	ALA	ALA	GLU	GLU	1	G	G	104 - 156	104 - 156
20	2	5	ALA	ALA	GLU	GLU	1	H	H	104 - 156	104 - 156
21	2	5	ALA	ALA	GLU	GLU	1	I	I	104 - 156	104 - 156
22	2	5	ALA	ALA	GLU	GLU	1	J	J	104 - 156	104 - 156
23	2	5	ALA	ALA	GLU	GLU	1	K	K	104 - 156	104 - 156
24	2	5	ALA	ALA	GLU	GLU	1	L	L	104 - 156	104 - 156
25	3	5	GLU	GLU	GLY	GLY	4	E	E	157 - 158	157 - 158
26	3	5	GLU	GLU	GLY	GLY	4	A	A	157 - 158	157 - 158
27	3	5	GLU	GLU	GLY	GLY	4	B	B	157 - 158	157 - 158
28	3	5	GLU	GLU	GLY	GLY	4	C	C	157 - 158	157 - 158
29	3	5	GLU	GLU	GLY	GLY	4	D	D	157 - 158	157 - 158
30	3	5	GLU	GLU	GLY	GLY	4	F	F	157 - 158	157 - 158
31	3	5	GLU	GLU	GLY	GLY	4	G	G	157 - 158	157 - 158
32	3	5	GLU	GLU	GLY	GLY	4	H	H	157 - 158	157 - 158
33	3	5	GLU	GLU	GLY	GLY	4	I	I	157 - 158	157 - 158
34	3	5	GLU	GLU	GLY	GLY	4	J	J	157 - 158	157 - 158
35	3	5	GLU	GLU	GLY	GLY	4	K	K	157 - 158	157 - 158
36	3	5	GLU	GLU	GLY	GLY	4	L	L	157 - 158	157 - 158
37	4	5	FE2	FE2	FE2	FE2	1	E	HA - IA	300 - 301
38	4	5	FE2	FE2	FE2	FE2	1	A	N - O	300 - 301
39	4	5	FE2	FE2	FE2	FE2	1	B	S - T	300 - 301
40	4	5	FE2	FE2	FE2	FE2	1	C	Y - Z	300 - 301
41	4	5	FE2	FE2	FE2	FE2	1	D	CA - DA	300 - 301
42	4	5	FE2	FE2	FE2	FE2	1	F	LA - MA	300 - 301
43	4	5	FE2	FE2	FE2	FE2	1	G	RA - SA	300 - 301
44	4	5	FE2	FE2	FE2	FE2	1	H	XA - YA	300 - 301
45	4	5	FE2	FE2	FE2	FE2	1	I	BB - CB	300 - 301
46	4	5	FE2	FE2	FE2	FE2	1	J	GB - HB	300 - 301
47	4	5	FE2	FE2	FE2	FE2	1	K	KB - LB	300 - 301
48	4	5	FE2	FE2	FE2	FE2	1	L	OB - PB	300 - 301
49	5	5	SO4	SO4	SO4	SO4	1	E	GA	250
50	5	5	SO4	SO4	SO4	SO4	1	A	M	250
51	5	5	SO4	SO4	SO4	SO4	1	B	R	250
52	5	5	SO4	SO4	SO4	SO4	1	C	X	250
53	5	5	SO4	SO4	SO4	SO4	1	D	BA	250
54	5	5	SO4	SO4	SO4	SO4	1	F	KA	250
55	5	5	SO4	SO4	SO4	SO4	1	G	QA	250
56	5	5	SO4	SO4	SO4	SO4	1	H	WA	250
57	5	5	SO4	SO4	SO4	SO4	1	I	AB	250
58	5	5	SO4	SO4	SO4	SO4	1	J	FB	250
59	5	5	SO4	SO4	SO4	SO4	1	K	JB	250
60	5	5	SO4	SO4	SO4	SO4	1	L	NB	250
61	6	5	FE2	FE2	FE2	FE2	1	E	JA	400
62	6	5	FE2	FE2	FE2	FE2	1	A	P	400
63	6	5	FE2	FE2	FE2	FE2	1	B	U	400
64	6	5	FE2	FE2	FE2	FE2	1	C	AA	400
65	6	5	FE2	FE2	FE2	FE2	1	D	EA	400
66	6	5	FE2	FE2	FE2	FE2	1	F	NA	400
67	6	5	FE2	FE2	FE2	FE2	1	G	TA	400
68	6	5	FE2	FE2	FE2	FE2	1	H	ZA	400
69	6	5	FE2	FE2	FE2	FE2	1	I	DB	400
70	6	5	FE2	FE2	FE2	FE2	1	J	IB	400
71	6	5	FE2	FE2	FE2	FE2	1	K	MB	400
72	6	5	FE2	FE2	FE2	FE2	1	L	QB	400
1	1	6	MET	MET	ARG	ARG	1	F	F	1 - 102	1 - 102
2	1	6	MET	MET	ARG	ARG	1	A	A	1 - 102	1 - 102
3	1	6	MET	MET	ARG	ARG	1	B	B	1 - 102	1 - 102
4	1	6	MET	MET	ARG	ARG	1	C	C	1 - 102	1 - 102
5	1	6	MET	MET	ARG	ARG	1	D	D	1 - 102	1 - 102
6	1	6	MET	MET	ARG	ARG	1	E	E	1 - 102	1 - 102
7	1	6	MET	MET	ARG	ARG	1	G	G	1 - 102	1 - 102
8	1	6	MET	MET	ARG	ARG	1	H	H	1 - 102	1 - 102
9	1	6	MET	MET	ARG	ARG	1	I	I	1 - 102	1 - 102
10	1	6	MET	MET	ARG	ARG	1	J	J	1 - 102	1 - 102
11	1	6	MET	MET	ARG	ARG	1	K	K	1 - 102	1 - 102
12	1	6	MET	MET	ARG	ARG	1	L	L	1 - 102	1 - 102
13	2	6	ALA	ALA	GLU	GLU	1	F	F	104 - 156	104 - 156
14	2	6	ALA	ALA	GLU	GLU	1	A	A	104 - 156	104 - 156
15	2	6	ALA	ALA	GLU	GLU	1	B	B	104 - 156	104 - 156
16	2	6	ALA	ALA	GLU	GLU	1	C	C	104 - 156	104 - 156
17	2	6	ALA	ALA	GLU	GLU	1	D	D	104 - 156	104 - 156
18	2	6	ALA	ALA	GLU	GLU	1	E	E	104 - 156	104 - 156
19	2	6	ALA	ALA	GLU	GLU	1	G	G	104 - 156	104 - 156
20	2	6	ALA	ALA	GLU	GLU	1	H	H	104 - 156	104 - 156
21	2	6	ALA	ALA	GLU	GLU	1	I	I	104 - 156	104 - 156
22	2	6	ALA	ALA	GLU	GLU	1	J	J	104 - 156	104 - 156
23	2	6	ALA	ALA	GLU	GLU	1	K	K	104 - 156	104 - 156
24	2	6	ALA	ALA	GLU	GLU	1	L	L	104 - 156	104 - 156
25	3	6	GLU	GLU	GLY	GLY	4	F	F	157 - 158	157 - 158
26	3	6	GLU	GLU	GLY	GLY	4	A	A	157 - 158	157 - 158
27	3	6	GLU	GLU	GLY	GLY	4	B	B	157 - 158	157 - 158
28	3	6	GLU	GLU	GLY	GLY	4	C	C	157 - 158	157 - 158
29	3	6	GLU	GLU	GLY	GLY	4	D	D	157 - 158	157 - 158
30	3	6	GLU	GLU	GLY	GLY	4	E	E	157 - 158	157 - 158
31	3	6	GLU	GLU	GLY	GLY	4	G	G	157 - 158	157 - 158
32	3	6	GLU	GLU	GLY	GLY	4	H	H	157 - 158	157 - 158
33	3	6	GLU	GLU	GLY	GLY	4	I	I	157 - 158	157 - 158
34	3	6	GLU	GLU	GLY	GLY	4	J	J	157 - 158	157 - 158
35	3	6	GLU	GLU	GLY	GLY	4	K	K	157 - 158	157 - 158
36	3	6	GLU	GLU	GLY	GLY	4	L	L	157 - 158	157 - 158
37	4	6	FE2	FE2	FE2	FE2	1	F	LA - MA	300 - 301
38	4	6	FE2	FE2	FE2	FE2	1	A	N - O	300 - 301
39	4	6	FE2	FE2	FE2	FE2	1	B	S - T	300 - 301
40	4	6	FE2	FE2	FE2	FE2	1	C	Y - Z	300 - 301
41	4	6	FE2	FE2	FE2	FE2	1	D	CA - DA	300 - 301
42	4	6	FE2	FE2	FE2	FE2	1	E	HA - IA	300 - 301
43	4	6	FE2	FE2	FE2	FE2	1	G	RA - SA	300 - 301
44	4	6	FE2	FE2	FE2	FE2	1	H	XA - YA	300 - 301
45	4	6	FE2	FE2	FE2	FE2	1	I	BB - CB	300 - 301
46	4	6	FE2	FE2	FE2	FE2	1	J	GB - HB	300 - 301
47	4	6	FE2	FE2	FE2	FE2	1	K	KB - LB	300 - 301
48	4	6	FE2	FE2	FE2	FE2	1	L	OB - PB	300 - 301
49	5	6	SO4	SO4	SO4	SO4	1	F	KA	250
50	5	6	SO4	SO4	SO4	SO4	1	A	M	250
51	5	6	SO4	SO4	SO4	SO4	1	B	R	250
52	5	6	SO4	SO4	SO4	SO4	1	C	X	250
53	5	6	SO4	SO4	SO4	SO4	1	D	BA	250
54	5	6	SO4	SO4	SO4	SO4	1	E	GA	250
55	5	6	SO4	SO4	SO4	SO4	1	G	QA	250
56	5	6	SO4	SO4	SO4	SO4	1	H	WA	250
57	5	6	SO4	SO4	SO4	SO4	1	I	AB	250
58	5	6	SO4	SO4	SO4	SO4	1	J	FB	250
59	5	6	SO4	SO4	SO4	SO4	1	K	JB	250
60	5	6	SO4	SO4	SO4	SO4	1	L	NB	250
61	6	6	FE2	FE2	FE2	FE2	1	F	NA	400
62	6	6	FE2	FE2	FE2	FE2	1	A	P	400
63	6	6	FE2	FE2	FE2	FE2	1	B	U	400
64	6	6	FE2	FE2	FE2	FE2	1	C	AA	400
65	6	6	FE2	FE2	FE2	FE2	1	D	EA	400
66	6	6	FE2	FE2	FE2	FE2	1	E	JA	400
67	6	6	FE2	FE2	FE2	FE2	1	G	TA	400
68	6	6	FE2	FE2	FE2	FE2	1	H	ZA	400
69	6	6	FE2	FE2	FE2	FE2	1	I	DB	400
70	6	6	FE2	FE2	FE2	FE2	1	J	IB	400
71	6	6	FE2	FE2	FE2	FE2	1	K	MB	400
72	6	6	FE2	FE2	FE2	FE2	1	L	QB	400
1	1	7	MET	MET	ARG	ARG	1	G	G	1 - 102	1 - 102
2	1	7	MET	MET	ARG	ARG	1	A	A	1 - 102	1 - 102
3	1	7	MET	MET	ARG	ARG	1	B	B	1 - 102	1 - 102
4	1	7	MET	MET	ARG	ARG	1	C	C	1 - 102	1 - 102
5	1	7	MET	MET	ARG	ARG	1	D	D	1 - 102	1 - 102
6	1	7	MET	MET	ARG	ARG	1	E	E	1 - 102	1 - 102
7	1	7	MET	MET	ARG	ARG	1	F	F	1 - 102	1 - 102
8	1	7	MET	MET	ARG	ARG	1	H	H	1 - 102	1 - 102
9	1	7	MET	MET	ARG	ARG	1	I	I	1 - 102	1 - 102
10	1	7	MET	MET	ARG	ARG	1	J	J	1 - 102	1 - 102
11	1	7	MET	MET	ARG	ARG	1	K	K	1 - 102	1 - 102
12	1	7	MET	MET	ARG	ARG	1	L	L	1 - 102	1 - 102
13	2	7	ALA	ALA	GLU	GLU	1	G	G	104 - 156	104 - 156
14	2	7	ALA	ALA	GLU	GLU	1	A	A	104 - 156	104 - 156
15	2	7	ALA	ALA	GLU	GLU	1	B	B	104 - 156	104 - 156
16	2	7	ALA	ALA	GLU	GLU	1	C	C	104 - 156	104 - 156
17	2	7	ALA	ALA	GLU	GLU	1	D	D	104 - 156	104 - 156
18	2	7	ALA	ALA	GLU	GLU	1	E	E	104 - 156	104 - 156
19	2	7	ALA	ALA	GLU	GLU	1	F	F	104 - 156	104 - 156
20	2	7	ALA	ALA	GLU	GLU	1	H	H	104 - 156	104 - 156
21	2	7	ALA	ALA	GLU	GLU	1	I	I	104 - 156	104 - 156
22	2	7	ALA	ALA	GLU	GLU	1	J	J	104 - 156	104 - 156
23	2	7	ALA	ALA	GLU	GLU	1	K	K	104 - 156	104 - 156
24	2	7	ALA	ALA	GLU	GLU	1	L	L	104 - 156	104 - 156
25	3	7	GLU	GLU	GLY	GLY	4	G	G	157 - 158	157 - 158
26	3	7	GLU	GLU	GLY	GLY	4	A	A	157 - 158	157 - 158
27	3	7	GLU	GLU	GLY	GLY	4	B	B	157 - 158	157 - 158
28	3	7	GLU	GLU	GLY	GLY	4	C	C	157 - 158	157 - 158
29	3	7	GLU	GLU	GLY	GLY	4	D	D	157 - 158	157 - 158
30	3	7	GLU	GLU	GLY	GLY	4	E	E	157 - 158	157 - 158
31	3	7	GLU	GLU	GLY	GLY	4	F	F	157 - 158	157 - 158
32	3	7	GLU	GLU	GLY	GLY	4	H	H	157 - 158	157 - 158
33	3	7	GLU	GLU	GLY	GLY	4	I	I	157 - 158	157 - 158
34	3	7	GLU	GLU	GLY	GLY	4	J	J	157 - 158	157 - 158
35	3	7	GLU	GLU	GLY	GLY	4	K	K	157 - 158	157 - 158
36	3	7	GLU	GLU	GLY	GLY	4	L	L	157 - 158	157 - 158
37	4	7	FE2	FE2	FE2	FE2	1	G	RA - SA	300 - 301
38	4	7	FE2	FE2	FE2	FE2	1	A	N - O	300 - 301
39	4	7	FE2	FE2	FE2	FE2	1	B	S - T	300 - 301
40	4	7	FE2	FE2	FE2	FE2	1	C	Y - Z	300 - 301
41	4	7	FE2	FE2	FE2	FE2	1	D	CA - DA	300 - 301
42	4	7	FE2	FE2	FE2	FE2	1	E	HA - IA	300 - 301
43	4	7	FE2	FE2	FE2	FE2	1	F	LA - MA	300 - 301
44	4	7	FE2	FE2	FE2	FE2	1	H	XA - YA	300 - 301
45	4	7	FE2	FE2	FE2	FE2	1	I	BB - CB	300 - 301
46	4	7	FE2	FE2	FE2	FE2	1	J	GB - HB	300 - 301
47	4	7	FE2	FE2	FE2	FE2	1	K	KB - LB	300 - 301
48	4	7	FE2	FE2	FE2	FE2	1	L	OB - PB	300 - 301
49	5	7	SO4	SO4	SO4	SO4	1	G	QA	250
50	5	7	SO4	SO4	SO4	SO4	1	A	M	250
51	5	7	SO4	SO4	SO4	SO4	1	B	R	250
52	5	7	SO4	SO4	SO4	SO4	1	C	X	250
53	5	7	SO4	SO4	SO4	SO4	1	D	BA	250
54	5	7	SO4	SO4	SO4	SO4	1	E	GA	250
55	5	7	SO4	SO4	SO4	SO4	1	F	KA	250
56	5	7	SO4	SO4	SO4	SO4	1	H	WA	250
57	5	7	SO4	SO4	SO4	SO4	1	I	AB	250
58	5	7	SO4	SO4	SO4	SO4	1	J	FB	250
59	5	7	SO4	SO4	SO4	SO4	1	K	JB	250
60	5	7	SO4	SO4	SO4	SO4	1	L	NB	250
61	6	7	FE2	FE2	FE2	FE2	1	G	TA	400
62	6	7	FE2	FE2	FE2	FE2	1	A	P	400
63	6	7	FE2	FE2	FE2	FE2	1	B	U	400
64	6	7	FE2	FE2	FE2	FE2	1	C	AA	400
65	6	7	FE2	FE2	FE2	FE2	1	D	EA	400
66	6	7	FE2	FE2	FE2	FE2	1	E	JA	400
67	6	7	FE2	FE2	FE2	FE2	1	F	NA	400
68	6	7	FE2	FE2	FE2	FE2	1	H	ZA	400
69	6	7	FE2	FE2	FE2	FE2	1	I	DB	400
70	6	7	FE2	FE2	FE2	FE2	1	J	IB	400
71	6	7	FE2	FE2	FE2	FE2	1	K	MB	400
72	6	7	FE2	FE2	FE2	FE2	1	L	QB	400
1	1	8	MET	MET	ARG	ARG	1	H	H	1 - 102	1 - 102
2	1	8	MET	MET	ARG	ARG	1	A	A	1 - 102	1 - 102
3	1	8	MET	MET	ARG	ARG	1	B	B	1 - 102	1 - 102
4	1	8	MET	MET	ARG	ARG	1	C	C	1 - 102	1 - 102
5	1	8	MET	MET	ARG	ARG	1	D	D	1 - 102	1 - 102
6	1	8	MET	MET	ARG	ARG	1	E	E	1 - 102	1 - 102
7	1	8	MET	MET	ARG	ARG	1	F	F	1 - 102	1 - 102
8	1	8	MET	MET	ARG	ARG	1	G	G	1 - 102	1 - 102
9	1	8	MET	MET	ARG	ARG	1	I	I	1 - 102	1 - 102
10	1	8	MET	MET	ARG	ARG	1	J	J	1 - 102	1 - 102
11	1	8	MET	MET	ARG	ARG	1	K	K	1 - 102	1 - 102
12	1	8	MET	MET	ARG	ARG	1	L	L	1 - 102	1 - 102
13	2	8	ALA	ALA	GLU	GLU	1	H	H	104 - 156	104 - 156
14	2	8	ALA	ALA	GLU	GLU	1	A	A	104 - 156	104 - 156
15	2	8	ALA	ALA	GLU	GLU	1	B	B	104 - 156	104 - 156
16	2	8	ALA	ALA	GLU	GLU	1	C	C	104 - 156	104 - 156
17	2	8	ALA	ALA	GLU	GLU	1	D	D	104 - 156	104 - 156
18	2	8	ALA	ALA	GLU	GLU	1	E	E	104 - 156	104 - 156
19	2	8	ALA	ALA	GLU	GLU	1	F	F	104 - 156	104 - 156
20	2	8	ALA	ALA	GLU	GLU	1	G	G	104 - 156	104 - 156
21	2	8	ALA	ALA	GLU	GLU	1	I	I	104 - 156	104 - 156
22	2	8	ALA	ALA	GLU	GLU	1	J	J	104 - 156	104 - 156
23	2	8	ALA	ALA	GLU	GLU	1	K	K	104 - 156	104 - 156
24	2	8	ALA	ALA	GLU	GLU	1	L	L	104 - 156	104 - 156
25	3	8	GLU	GLU	GLY	GLY	4	H	H	157 - 158	157 - 158
26	3	8	GLU	GLU	GLY	GLY	4	A	A	157 - 158	157 - 158
27	3	8	GLU	GLU	GLY	GLY	4	B	B	157 - 158	157 - 158
28	3	8	GLU	GLU	GLY	GLY	4	C	C	157 - 158	157 - 158
29	3	8	GLU	GLU	GLY	GLY	4	D	D	157 - 158	157 - 158
30	3	8	GLU	GLU	GLY	GLY	4	E	E	157 - 158	157 - 158
31	3	8	GLU	GLU	GLY	GLY	4	F	F	157 - 158	157 - 158
32	3	8	GLU	GLU	GLY	GLY	4	G	G	157 - 158	157 - 158
33	3	8	GLU	GLU	GLY	GLY	4	I	I	157 - 158	157 - 158
34	3	8	GLU	GLU	GLY	GLY	4	J	J	157 - 158	157 - 158
35	3	8	GLU	GLU	GLY	GLY	4	K	K	157 - 158	157 - 158
36	3	8	GLU	GLU	GLY	GLY	4	L	L	157 - 158	157 - 158
37	4	8	FE2	FE2	FE2	FE2	1	H	XA - YA	300 - 301
38	4	8	FE2	FE2	FE2	FE2	1	A	N - O	300 - 301
39	4	8	FE2	FE2	FE2	FE2	1	B	S - T	300 - 301
40	4	8	FE2	FE2	FE2	FE2	1	C	Y - Z	300 - 301
41	4	8	FE2	FE2	FE2	FE2	1	D	CA - DA	300 - 301
42	4	8	FE2	FE2	FE2	FE2	1	E	HA - IA	300 - 301
43	4	8	FE2	FE2	FE2	FE2	1	F	LA - MA	300 - 301
44	4	8	FE2	FE2	FE2	FE2	1	G	RA - SA	300 - 301
45	4	8	FE2	FE2	FE2	FE2	1	I	BB - CB	300 - 301
46	4	8	FE2	FE2	FE2	FE2	1	J	GB - HB	300 - 301
47	4	8	FE2	FE2	FE2	FE2	1	K	KB - LB	300 - 301
48	4	8	FE2	FE2	FE2	FE2	1	L	OB - PB	300 - 301
49	5	8	SO4	SO4	SO4	SO4	1	H	WA	250
50	5	8	SO4	SO4	SO4	SO4	1	A	M	250
51	5	8	SO4	SO4	SO4	SO4	1	B	R	250
52	5	8	SO4	SO4	SO4	SO4	1	C	X	250
53	5	8	SO4	SO4	SO4	SO4	1	D	BA	250
54	5	8	SO4	SO4	SO4	SO4	1	E	GA	250
55	5	8	SO4	SO4	SO4	SO4	1	F	KA	250
56	5	8	SO4	SO4	SO4	SO4	1	G	QA	250
57	5	8	SO4	SO4	SO4	SO4	1	I	AB	250
58	5	8	SO4	SO4	SO4	SO4	1	J	FB	250
59	5	8	SO4	SO4	SO4	SO4	1	K	JB	250
60	5	8	SO4	SO4	SO4	SO4	1	L	NB	250
61	6	8	FE2	FE2	FE2	FE2	1	H	ZA	400
62	6	8	FE2	FE2	FE2	FE2	1	A	P	400
63	6	8	FE2	FE2	FE2	FE2	1	B	U	400
64	6	8	FE2	FE2	FE2	FE2	1	C	AA	400
65	6	8	FE2	FE2	FE2	FE2	1	D	EA	400
66	6	8	FE2	FE2	FE2	FE2	1	E	JA	400
67	6	8	FE2	FE2	FE2	FE2	1	F	NA	400
68	6	8	FE2	FE2	FE2	FE2	1	G	TA	400
69	6	8	FE2	FE2	FE2	FE2	1	I	DB	400
70	6	8	FE2	FE2	FE2	FE2	1	J	IB	400
71	6	8	FE2	FE2	FE2	FE2	1	K	MB	400
72	6	8	FE2	FE2	FE2	FE2	1	L	QB	400
1	1	9	MET	MET	ARG	ARG	1	I	I	1 - 102	1 - 102
2	1	9	MET	MET	ARG	ARG	1	A	A	1 - 102	1 - 102
3	1	9	MET	MET	ARG	ARG	1	B	B	1 - 102	1 - 102
4	1	9	MET	MET	ARG	ARG	1	C	C	1 - 102	1 - 102
5	1	9	MET	MET	ARG	ARG	1	D	D	1 - 102	1 - 102
6	1	9	MET	MET	ARG	ARG	1	E	E	1 - 102	1 - 102
7	1	9	MET	MET	ARG	ARG	1	F	F	1 - 102	1 - 102
8	1	9	MET	MET	ARG	ARG	1	G	G	1 - 102	1 - 102
9	1	9	MET	MET	ARG	ARG	1	H	H	1 - 102	1 - 102
10	1	9	MET	MET	ARG	ARG	1	J	J	1 - 102	1 - 102
11	1	9	MET	MET	ARG	ARG	1	K	K	1 - 102	1 - 102
12	1	9	MET	MET	ARG	ARG	1	L	L	1 - 102	1 - 102
13	2	9	ALA	ALA	GLU	GLU	1	I	I	104 - 156	104 - 156
14	2	9	ALA	ALA	GLU	GLU	1	A	A	104 - 156	104 - 156
15	2	9	ALA	ALA	GLU	GLU	1	B	B	104 - 156	104 - 156
16	2	9	ALA	ALA	GLU	GLU	1	C	C	104 - 156	104 - 156
17	2	9	ALA	ALA	GLU	GLU	1	D	D	104 - 156	104 - 156
18	2	9	ALA	ALA	GLU	GLU	1	E	E	104 - 156	104 - 156
19	2	9	ALA	ALA	GLU	GLU	1	F	F	104 - 156	104 - 156
20	2	9	ALA	ALA	GLU	GLU	1	G	G	104 - 156	104 - 156
21	2	9	ALA	ALA	GLU	GLU	1	H	H	104 - 156	104 - 156
22	2	9	ALA	ALA	GLU	GLU	1	J	J	104 - 156	104 - 156
23	2	9	ALA	ALA	GLU	GLU	1	K	K	104 - 156	104 - 156
24	2	9	ALA	ALA	GLU	GLU	1	L	L	104 - 156	104 - 156
25	3	9	GLU	GLU	GLY	GLY	4	I	I	157 - 158	157 - 158
26	3	9	GLU	GLU	GLY	GLY	4	A	A	157 - 158	157 - 158
27	3	9	GLU	GLU	GLY	GLY	4	B	B	157 - 158	157 - 158
28	3	9	GLU	GLU	GLY	GLY	4	C	C	157 - 158	157 - 158
29	3	9	GLU	GLU	GLY	GLY	4	D	D	157 - 158	157 - 158
30	3	9	GLU	GLU	GLY	GLY	4	E	E	157 - 158	157 - 158
31	3	9	GLU	GLU	GLY	GLY	4	F	F	157 - 158	157 - 158
32	3	9	GLU	GLU	GLY	GLY	4	G	G	157 - 158	157 - 158
33	3	9	GLU	GLU	GLY	GLY	4	H	H	157 - 158	157 - 158
34	3	9	GLU	GLU	GLY	GLY	4	J	J	157 - 158	157 - 158
35	3	9	GLU	GLU	GLY	GLY	4	K	K	157 - 158	157 - 158
36	3	9	GLU	GLU	GLY	GLY	4	L	L	157 - 158	157 - 158
37	4	9	FE2	FE2	FE2	FE2	1	I	BB - CB	300 - 301
38	4	9	FE2	FE2	FE2	FE2	1	A	N - O	300 - 301
39	4	9	FE2	FE2	FE2	FE2	1	B	S - T	300 - 301
40	4	9	FE2	FE2	FE2	FE2	1	C	Y - Z	300 - 301
41	4	9	FE2	FE2	FE2	FE2	1	D	CA - DA	300 - 301
42	4	9	FE2	FE2	FE2	FE2	1	E	HA - IA	300 - 301
43	4	9	FE2	FE2	FE2	FE2	1	F	LA - MA	300 - 301
44	4	9	FE2	FE2	FE2	FE2	1	G	RA - SA	300 - 301
45	4	9	FE2	FE2	FE2	FE2	1	H	XA - YA	300 - 301
46	4	9	FE2	FE2	FE2	FE2	1	J	GB - HB	300 - 301
47	4	9	FE2	FE2	FE2	FE2	1	K	KB - LB	300 - 301
48	4	9	FE2	FE2	FE2	FE2	1	L	OB - PB	300 - 301
49	5	9	SO4	SO4	SO4	SO4	1	I	AB	250
50	5	9	SO4	SO4	SO4	SO4	1	A	M	250
51	5	9	SO4	SO4	SO4	SO4	1	B	R	250
52	5	9	SO4	SO4	SO4	SO4	1	C	X	250
53	5	9	SO4	SO4	SO4	SO4	1	D	BA	250
54	5	9	SO4	SO4	SO4	SO4	1	E	GA	250
55	5	9	SO4	SO4	SO4	SO4	1	F	KA	250
56	5	9	SO4	SO4	SO4	SO4	1	G	QA	250
57	5	9	SO4	SO4	SO4	SO4	1	H	WA	250
58	5	9	SO4	SO4	SO4	SO4	1	J	FB	250
59	5	9	SO4	SO4	SO4	SO4	1	K	JB	250
60	5	9	SO4	SO4	SO4	SO4	1	L	NB	250
61	6	9	FE2	FE2	FE2	FE2	1	I	DB	400
62	6	9	FE2	FE2	FE2	FE2	1	A	P	400
63	6	9	FE2	FE2	FE2	FE2	1	B	U	400
64	6	9	FE2	FE2	FE2	FE2	1	C	AA	400
65	6	9	FE2	FE2	FE2	FE2	1	D	EA	400
66	6	9	FE2	FE2	FE2	FE2	1	E	JA	400
67	6	9	FE2	FE2	FE2	FE2	1	F	NA	400
68	6	9	FE2	FE2	FE2	FE2	1	G	TA	400
69	6	9	FE2	FE2	FE2	FE2	1	H	ZA	400
70	6	9	FE2	FE2	FE2	FE2	1	J	IB	400
71	6	9	FE2	FE2	FE2	FE2	1	K	MB	400
72	6	9	FE2	FE2	FE2	FE2	1	L	QB	400
1	1	10	MET	MET	ARG	ARG	1	J	J	1 - 102	1 - 102
2	1	10	MET	MET	ARG	ARG	1	A	A	1 - 102	1 - 102
3	1	10	MET	MET	ARG	ARG	1	B	B	1 - 102	1 - 102
4	1	10	MET	MET	ARG	ARG	1	C	C	1 - 102	1 - 102
5	1	10	MET	MET	ARG	ARG	1	D	D	1 - 102	1 - 102
6	1	10	MET	MET	ARG	ARG	1	E	E	1 - 102	1 - 102
7	1	10	MET	MET	ARG	ARG	1	F	F	1 - 102	1 - 102
8	1	10	MET	MET	ARG	ARG	1	G	G	1 - 102	1 - 102
9	1	10	MET	MET	ARG	ARG	1	H	H	1 - 102	1 - 102
10	1	10	MET	MET	ARG	ARG	1	I	I	1 - 102	1 - 102
11	1	10	MET	MET	ARG	ARG	1	K	K	1 - 102	1 - 102
12	1	10	MET	MET	ARG	ARG	1	L	L	1 - 102	1 - 102
13	2	10	ALA	ALA	GLU	GLU	1	J	J	104 - 156	104 - 156
14	2	10	ALA	ALA	GLU	GLU	1	A	A	104 - 156	104 - 156
15	2	10	ALA	ALA	GLU	GLU	1	B	B	104 - 156	104 - 156
16	2	10	ALA	ALA	GLU	GLU	1	C	C	104 - 156	104 - 156
17	2	10	ALA	ALA	GLU	GLU	1	D	D	104 - 156	104 - 156
18	2	10	ALA	ALA	GLU	GLU	1	E	E	104 - 156	104 - 156
19	2	10	ALA	ALA	GLU	GLU	1	F	F	104 - 156	104 - 156
20	2	10	ALA	ALA	GLU	GLU	1	G	G	104 - 156	104 - 156
21	2	10	ALA	ALA	GLU	GLU	1	H	H	104 - 156	104 - 156
22	2	10	ALA	ALA	GLU	GLU	1	I	I	104 - 156	104 - 156
23	2	10	ALA	ALA	GLU	GLU	1	K	K	104 - 156	104 - 156
24	2	10	ALA	ALA	GLU	GLU	1	L	L	104 - 156	104 - 156
25	3	10	GLU	GLU	GLY	GLY	4	J	J	157 - 158	157 - 158
26	3	10	GLU	GLU	GLY	GLY	4	A	A	157 - 158	157 - 158
27	3	10	GLU	GLU	GLY	GLY	4	B	B	157 - 158	157 - 158
28	3	10	GLU	GLU	GLY	GLY	4	C	C	157 - 158	157 - 158
29	3	10	GLU	GLU	GLY	GLY	4	D	D	157 - 158	157 - 158
30	3	10	GLU	GLU	GLY	GLY	4	E	E	157 - 158	157 - 158
31	3	10	GLU	GLU	GLY	GLY	4	F	F	157 - 158	157 - 158
32	3	10	GLU	GLU	GLY	GLY	4	G	G	157 - 158	157 - 158
33	3	10	GLU	GLU	GLY	GLY	4	H	H	157 - 158	157 - 158
34	3	10	GLU	GLU	GLY	GLY	4	I	I	157 - 158	157 - 158
35	3	10	GLU	GLU	GLY	GLY	4	K	K	157 - 158	157 - 158
36	3	10	GLU	GLU	GLY	GLY	4	L	L	157 - 158	157 - 158
37	4	10	FE2	FE2	FE2	FE2	1	J	GB - HB	300 - 301
38	4	10	FE2	FE2	FE2	FE2	1	A	N - O	300 - 301
39	4	10	FE2	FE2	FE2	FE2	1	B	S - T	300 - 301
40	4	10	FE2	FE2	FE2	FE2	1	C	Y - Z	300 - 301
41	4	10	FE2	FE2	FE2	FE2	1	D	CA - DA	300 - 301
42	4	10	FE2	FE2	FE2	FE2	1	E	HA - IA	300 - 301
43	4	10	FE2	FE2	FE2	FE2	1	F	LA - MA	300 - 301
44	4	10	FE2	FE2	FE2	FE2	1	G	RA - SA	300 - 301
45	4	10	FE2	FE2	FE2	FE2	1	H	XA - YA	300 - 301
46	4	10	FE2	FE2	FE2	FE2	1	I	BB - CB	300 - 301
47	4	10	FE2	FE2	FE2	FE2	1	K	KB - LB	300 - 301
48	4	10	FE2	FE2	FE2	FE2	1	L	OB - PB	300 - 301
49	5	10	SO4	SO4	SO4	SO4	1	J	FB	250
50	5	10	SO4	SO4	SO4	SO4	1	A	M	250
51	5	10	SO4	SO4	SO4	SO4	1	B	R	250
52	5	10	SO4	SO4	SO4	SO4	1	C	X	250
53	5	10	SO4	SO4	SO4	SO4	1	D	BA	250
54	5	10	SO4	SO4	SO4	SO4	1	E	GA	250
55	5	10	SO4	SO4	SO4	SO4	1	F	KA	250
56	5	10	SO4	SO4	SO4	SO4	1	G	QA	250
57	5	10	SO4	SO4	SO4	SO4	1	H	WA	250
58	5	10	SO4	SO4	SO4	SO4	1	I	AB	250
59	5	10	SO4	SO4	SO4	SO4	1	K	JB	250
60	5	10	SO4	SO4	SO4	SO4	1	L	NB	250
61	6	10	FE2	FE2	FE2	FE2	1	J	IB	400
62	6	10	FE2	FE2	FE2	FE2	1	A	P	400
63	6	10	FE2	FE2	FE2	FE2	1	B	U	400
64	6	10	FE2	FE2	FE2	FE2	1	C	AA	400
65	6	10	FE2	FE2	FE2	FE2	1	D	EA	400
66	6	10	FE2	FE2	FE2	FE2	1	E	JA	400
67	6	10	FE2	FE2	FE2	FE2	1	F	NA	400
68	6	10	FE2	FE2	FE2	FE2	1	G	TA	400
69	6	10	FE2	FE2	FE2	FE2	1	H	ZA	400
70	6	10	FE2	FE2	FE2	FE2	1	I	DB	400
71	6	10	FE2	FE2	FE2	FE2	1	K	MB	400
72	6	10	FE2	FE2	FE2	FE2	1	L	QB	400
1	1	11	MET	MET	ARG	ARG	1	K	K	1 - 102	1 - 102
2	1	11	MET	MET	ARG	ARG	1	A	A	1 - 102	1 - 102
3	1	11	MET	MET	ARG	ARG	1	B	B	1 - 102	1 - 102
4	1	11	MET	MET	ARG	ARG	1	C	C	1 - 102	1 - 102
5	1	11	MET	MET	ARG	ARG	1	D	D	1 - 102	1 - 102
6	1	11	MET	MET	ARG	ARG	1	E	E	1 - 102	1 - 102
7	1	11	MET	MET	ARG	ARG	1	F	F	1 - 102	1 - 102
8	1	11	MET	MET	ARG	ARG	1	G	G	1 - 102	1 - 102
9	1	11	MET	MET	ARG	ARG	1	H	H	1 - 102	1 - 102
10	1	11	MET	MET	ARG	ARG	1	I	I	1 - 102	1 - 102
11	1	11	MET	MET	ARG	ARG	1	J	J	1 - 102	1 - 102
12	1	11	MET	MET	ARG	ARG	1	L	L	1 - 102	1 - 102
13	2	11	ALA	ALA	GLU	GLU	1	K	K	104 - 156	104 - 156
14	2	11	ALA	ALA	GLU	GLU	1	A	A	104 - 156	104 - 156
15	2	11	ALA	ALA	GLU	GLU	1	B	B	104 - 156	104 - 156
16	2	11	ALA	ALA	GLU	GLU	1	C	C	104 - 156	104 - 156
17	2	11	ALA	ALA	GLU	GLU	1	D	D	104 - 156	104 - 156
18	2	11	ALA	ALA	GLU	GLU	1	E	E	104 - 156	104 - 156
19	2	11	ALA	ALA	GLU	GLU	1	F	F	104 - 156	104 - 156
20	2	11	ALA	ALA	GLU	GLU	1	G	G	104 - 156	104 - 156
21	2	11	ALA	ALA	GLU	GLU	1	H	H	104 - 156	104 - 156
22	2	11	ALA	ALA	GLU	GLU	1	I	I	104 - 156	104 - 156
23	2	11	ALA	ALA	GLU	GLU	1	J	J	104 - 156	104 - 156
24	2	11	ALA	ALA	GLU	GLU	1	L	L	104 - 156	104 - 156
25	3	11	GLU	GLU	GLY	GLY	1	K	K	157 - 158	157 - 158
26	3	11	GLU	GLU	GLY	GLY	1	A	A	157 - 158	157 - 158
27	3	11	GLU	GLU	GLY	GLY	1	B	B	157 - 158	157 - 158
28	3	11	GLU	GLU	GLY	GLY	1	C	C	157 - 158	157 - 158
29	3	11	GLU	GLU	GLY	GLY	1	D	D	157 - 158	157 - 158
30	3	11	GLU	GLU	GLY	GLY	1	E	E	157 - 158	157 - 158
31	3	11	GLU	GLU	GLY	GLY	1	F	F	157 - 158	157 - 158
32	3	11	GLU	GLU	GLY	GLY	1	G	G	157 - 158	157 - 158
33	3	11	GLU	GLU	GLY	GLY	1	H	H	157 - 158	157 - 158
34	3	11	GLU	GLU	GLY	GLY	1	I	I	157 - 158	157 - 158
35	3	11	GLU	GLU	GLY	GLY	1	J	J	157 - 158	157 - 158
36	3	11	GLU	GLU	GLY	GLY	1	L	L	157 - 158	157 - 158
37	4	11	FE2	FE2	FE2	FE2	1	K	KB - LB	300 - 301
38	4	11	FE2	FE2	FE2	FE2	1	A	N - O	300 - 301
39	4	11	FE2	FE2	FE2	FE2	1	B	S - T	300 - 301
40	4	11	FE2	FE2	FE2	FE2	1	C	Y - Z	300 - 301
41	4	11	FE2	FE2	FE2	FE2	1	D	CA - DA	300 - 301
42	4	11	FE2	FE2	FE2	FE2	1	E	HA - IA	300 - 301
43	4	11	FE2	FE2	FE2	FE2	1	F	LA - MA	300 - 301
44	4	11	FE2	FE2	FE2	FE2	1	G	RA - SA	300 - 301
45	4	11	FE2	FE2	FE2	FE2	1	H	XA - YA	300 - 301
46	4	11	FE2	FE2	FE2	FE2	1	I	BB - CB	300 - 301
47	4	11	FE2	FE2	FE2	FE2	1	J	GB - HB	300 - 301
48	4	11	FE2	FE2	FE2	FE2	1	L	OB - PB	300 - 301
49	5	11	SO4	SO4	SO4	SO4	1	K	JB	250
50	5	11	SO4	SO4	SO4	SO4	1	A	M	250
51	5	11	SO4	SO4	SO4	SO4	1	B	R	250
52	5	11	SO4	SO4	SO4	SO4	1	C	X	250
53	5	11	SO4	SO4	SO4	SO4	1	D	BA	250
54	5	11	SO4	SO4	SO4	SO4	1	E	GA	250
55	5	11	SO4	SO4	SO4	SO4	1	F	KA	250
56	5	11	SO4	SO4	SO4	SO4	1	G	QA	250
57	5	11	SO4	SO4	SO4	SO4	1	H	WA	250
58	5	11	SO4	SO4	SO4	SO4	1	I	AB	250
59	5	11	SO4	SO4	SO4	SO4	1	J	FB	250
60	5	11	SO4	SO4	SO4	SO4	1	L	NB	250
61	6	11	FE2	FE2	FE2	FE2	1	K	MB	400
62	6	11	FE2	FE2	FE2	FE2	1	A	P	400
63	6	11	FE2	FE2	FE2	FE2	1	B	U	400
64	6	11	FE2	FE2	FE2	FE2	1	C	AA	400
65	6	11	FE2	FE2	FE2	FE2	1	D	EA	400
66	6	11	FE2	FE2	FE2	FE2	1	E	JA	400
67	6	11	FE2	FE2	FE2	FE2	1	F	NA	400
68	6	11	FE2	FE2	FE2	FE2	1	G	TA	400
69	6	11	FE2	FE2	FE2	FE2	1	H	ZA	400
70	6	11	FE2	FE2	FE2	FE2	1	I	DB	400
71	6	11	FE2	FE2	FE2	FE2	1	J	IB	400
72	6	11	FE2	FE2	FE2	FE2	1	L	QB	400
1	1	12	MET	MET	ARG	ARG	1	L	L	1 - 102	1 - 102
2	1	12	MET	MET	ARG	ARG	1	A	A	1 - 102	1 - 102
3	1	12	MET	MET	ARG	ARG	1	B	B	1 - 102	1 - 102
4	1	12	MET	MET	ARG	ARG	1	C	C	1 - 102	1 - 102
5	1	12	MET	MET	ARG	ARG	1	D	D	1 - 102	1 - 102
6	1	12	MET	MET	ARG	ARG	1	E	E	1 - 102	1 - 102
7	1	12	MET	MET	ARG	ARG	1	F	F	1 - 102	1 - 102
8	1	12	MET	MET	ARG	ARG	1	G	G	1 - 102	1 - 102
9	1	12	MET	MET	ARG	ARG	1	H	H	1 - 102	1 - 102
10	1	12	MET	MET	ARG	ARG	1	I	I	1 - 102	1 - 102
11	1	12	MET	MET	ARG	ARG	1	J	J	1 - 102	1 - 102
12	1	12	MET	MET	ARG	ARG	1	K	K	1 - 102	1 - 102
13	2	12	ALA	ALA	GLU	GLU	1	L	L	104 - 156	104 - 156
14	2	12	ALA	ALA	GLU	GLU	1	A	A	104 - 156	104 - 156
15	2	12	ALA	ALA	GLU	GLU	1	B	B	104 - 156	104 - 156
16	2	12	ALA	ALA	GLU	GLU	1	C	C	104 - 156	104 - 156
17	2	12	ALA	ALA	GLU	GLU	1	D	D	104 - 156	104 - 156
18	2	12	ALA	ALA	GLU	GLU	1	E	E	104 - 156	104 - 156
19	2	12	ALA	ALA	GLU	GLU	1	F	F	104 - 156	104 - 156
20	2	12	ALA	ALA	GLU	GLU	1	G	G	104 - 156	104 - 156
21	2	12	ALA	ALA	GLU	GLU	1	H	H	104 - 156	104 - 156
22	2	12	ALA	ALA	GLU	GLU	1	I	I	104 - 156	104 - 156
23	2	12	ALA	ALA	GLU	GLU	1	J	J	104 - 156	104 - 156
24	2	12	ALA	ALA	GLU	GLU	1	K	K	104 - 156	104 - 156
25	3	12	GLU	GLU	GLY	GLY	1	L	L	157 - 158	157 - 158
26	3	12	GLU	GLU	GLY	GLY	1	A	A	157 - 158	157 - 158
27	3	12	GLU	GLU	GLY	GLY	1	B	B	157 - 158	157 - 158
28	3	12	GLU	GLU	GLY	GLY	1	C	C	157 - 158	157 - 158
29	3	12	GLU	GLU	GLY	GLY	1	D	D	157 - 158	157 - 158
30	3	12	GLU	GLU	GLY	GLY	1	E	E	157 - 158	157 - 158
31	3	12	GLU	GLU	GLY	GLY	1	F	F	157 - 158	157 - 158
32	3	12	GLU	GLU	GLY	GLY	1	G	G	157 - 158	157 - 158
33	3	12	GLU	GLU	GLY	GLY	1	H	H	157 - 158	157 - 158
34	3	12	GLU	GLU	GLY	GLY	1	I	I	157 - 158	157 - 158
35	3	12	GLU	GLU	GLY	GLY	1	J	J	157 - 158	157 - 158
36	3	12	GLU	GLU	GLY	GLY	1	K	K	157 - 158	157 - 158
37	4	12	FE2	FE2	FE2	FE2	1	L	OB - PB	300 - 301
38	4	12	FE2	FE2	FE2	FE2	1	A	N - O	300 - 301
39	4	12	FE2	FE2	FE2	FE2	1	B	S - T	300 - 301
40	4	12	FE2	FE2	FE2	FE2	1	C	Y - Z	300 - 301
41	4	12	FE2	FE2	FE2	FE2	1	D	CA - DA	300 - 301
42	4	12	FE2	FE2	FE2	FE2	1	E	HA - IA	300 - 301
43	4	12	FE2	FE2	FE2	FE2	1	F	LA - MA	300 - 301
44	4	12	FE2	FE2	FE2	FE2	1	G	RA - SA	300 - 301
45	4	12	FE2	FE2	FE2	FE2	1	H	XA - YA	300 - 301
46	4	12	FE2	FE2	FE2	FE2	1	I	BB - CB	300 - 301
47	4	12	FE2	FE2	FE2	FE2	1	J	GB - HB	300 - 301
48	4	12	FE2	FE2	FE2	FE2	1	K	KB - LB	300 - 301
49	5	12	SO4	SO4	SO4	SO4	1	L	NB	250
50	5	12	SO4	SO4	SO4	SO4	1	A	M	250
51	5	12	SO4	SO4	SO4	SO4	1	B	R	250
52	5	12	SO4	SO4	SO4	SO4	1	C	X	250
53	5	12	SO4	SO4	SO4	SO4	1	D	BA	250
54	5	12	SO4	SO4	SO4	SO4	1	E	GA	250
55	5	12	SO4	SO4	SO4	SO4	1	F	KA	250
56	5	12	SO4	SO4	SO4	SO4	1	G	QA	250
57	5	12	SO4	SO4	SO4	SO4	1	H	WA	250
58	5	12	SO4	SO4	SO4	SO4	1	I	AB	250
59	5	12	SO4	SO4	SO4	SO4	1	J	FB	250
60	5	12	SO4	SO4	SO4	SO4	1	K	JB	250
61	6	12	FE2	FE2	FE2	FE2	1	L	QB	400
62	6	12	FE2	FE2	FE2	FE2	1	A	P	400
63	6	12	FE2	FE2	FE2	FE2	1	B	U	400
64	6	12	FE2	FE2	FE2	FE2	1	C	AA	400
65	6	12	FE2	FE2	FE2	FE2	1	D	EA	400
66	6	12	FE2	FE2	FE2	FE2	1	E	JA	400
67	6	12	FE2	FE2	FE2	FE2	1	F	NA	400
68	6	12	FE2	FE2	FE2	FE2	1	G	TA	400
69	6	12	FE2	FE2	FE2	FE2	1	H	ZA	400
70	6	12	FE2	FE2	FE2	FE2	1	I	DB	400
71	6	12	FE2	FE2	FE2	FE2	1	J	IB	400
72	6	12	FE2	FE2	FE2	FE2	1	K	MB	400
1	1	13	HEM	HEM	HEM	HEM	1	B	W	200
2	1	13	HEM	HEM	HEM	HEM	1	D	FA	200
3	1	13	HEM	HEM	HEM	HEM	1	F	PA	200
4	1	13	HEM	HEM	HEM	HEM	1	G	VA	200
5	1	13	HEM	HEM	HEM	HEM	1	I	EB	200
6	1	13	HEM	HEM	HEM	HEM	1	L	RB	200
1	1	14	HEM	HEM	HEM	HEM	1	D	FA	200
2	1	14	HEM	HEM	HEM	HEM	1	B	W	200
3	1	14	HEM	HEM	HEM	HEM	1	F	PA	200
4	1	14	HEM	HEM	HEM	HEM	1	G	VA	200
5	1	14	HEM	HEM	HEM	HEM	1	I	EB	200
6	1	14	HEM	HEM	HEM	HEM	1	L	RB	200
1	1	15	HEM	HEM	HEM	HEM	1	F	PA	200
2	1	15	HEM	HEM	HEM	HEM	1	B	W	200
3	1	15	HEM	HEM	HEM	HEM	1	D	FA	200
4	1	15	HEM	HEM	HEM	HEM	1	G	VA	200
5	1	15	HEM	HEM	HEM	HEM	1	I	EB	200
6	1	15	HEM	HEM	HEM	HEM	1	L	RB	200
1	1	16	HEM	HEM	HEM	HEM	1	G	VA	200
2	1	16	HEM	HEM	HEM	HEM	1	B	W	200
3	1	16	HEM	HEM	HEM	HEM	1	D	FA	200
4	1	16	HEM	HEM	HEM	HEM	1	F	PA	200
5	1	16	HEM	HEM	HEM	HEM	1	I	EB	200
6	1	16	HEM	HEM	HEM	HEM	1	L	RB	200
1	1	17	HEM	HEM	HEM	HEM	1	I	EB	200
2	1	17	HEM	HEM	HEM	HEM	1	B	W	200
3	1	17	HEM	HEM	HEM	HEM	1	D	FA	200
4	1	17	HEM	HEM	HEM	HEM	1	F	PA	200
5	1	17	HEM	HEM	HEM	HEM	1	G	VA	200
6	1	17	HEM	HEM	HEM	HEM	1	L	RB	200
1	1	18	HEM	HEM	HEM	HEM	1	L	RB	200
2	1	18	HEM	HEM	HEM	HEM	1	B	W	200
3	1	18	HEM	HEM	HEM	HEM	1	D	FA	200
4	1	18	HEM	HEM	HEM	HEM	1	F	PA	200
5	1	18	HEM	HEM	HEM	HEM	1	G	VA	200
6	1	18	HEM	HEM	HEM	HEM	1	I	EB	200
7	1	18	HEM	HEM	HEM	HEM	1	L	RB	200

NCS ensembles :

-
Components

#1: Protein	BACTERIOFERRITIN / BFR / CYTOCHROME B-1 / CYTOCHROME B-557 Mass: 18518.016 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ESCHERICHIA COLI (E. coli) / Strain: K-12 / Gene: BFR / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P0ABD3
#2: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: SO₄
#3: Chemical	... ChemComp-FE2 / FE (II) ION Mass: 55.845 Da / Num. of mol.: 36 / Source method: obtained synthetically / Formula: Fe
#4: Chemical	ChemComp-HEM / PROTOPORPHYRIN IX CONTAINING FE / HEME Mass: 616.487 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₃₄H₃₂FeN₄O₄
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 246 / 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: 3.48 Å³/Da / Density % sol: 64.61 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 5 Details: 1.8 M AMMONIUM SULFATE, 0.1 M TRI- SODIUM CITRATE PH 5.0. SUBSEQUENTLY, APO-BFR CRYSTALS WERE SOAKED IN A CRYOPROTECTANCT CONTAINING FE2+ AND BUFFERED USING MOPS PH 7 IN PLACE OF CITRATE PH ...Details: 1.8 M AMMONIUM SULFATE, 0.1 M TRI- SODIUM CITRATE PH 5.0. SUBSEQUENTLY, APO-BFR CRYSTALS WERE SOAKED IN A CRYOPROTECTANCT CONTAINING FE2+ AND BUFFERED USING MOPS PH 7 IN PLACE OF CITRATE PH 5. EXPOSURE TO IRON WAS LIMITED TO 2.5 MINUTES BEFORE FLASH FREEZING IN LIQUID NITROGEN. SEE PAPER FOR FULL DETAILS., VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K, pH 5.00

Crystal

Density Matthews: 3.48 Å³/Da / Density % sol: 64.61 %

Crystal grow

Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 5
Details: 1.8 M AMMONIUM SULFATE, 0.1 M TRI- SODIUM CITRATE PH 5.0. SUBSEQUENTLY, APO-BFR CRYSTALS WERE SOAKED IN A CRYOPROTECTANCT CONTAINING FE2+ AND BUFFERED USING MOPS PH 7 IN PLACE OF CITRATE PH ...

-
Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SRS / Beamline: PX10.1 / Wavelength: 1.74
Detector	Detector: CCD / Date: Jan 1, 2006
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.74 Å / Relative weight: 1
Reflection	Resolution: 2.7→32 Å / Num. obs: 73181 / % possible obs: 85.3 % / Observed criterion σ(I): 1 / Redundancy: 7.4 % / R_sym value: 0.101 / Net I/σ(I): 14.4
Reflection shell	Resolution: 2.7→2.85 Å / Redundancy: 4.3 % / Mean I/σ(I) obs: 4.7 / R_sym value: 0.225 / % possible all: 46.8

-
Processing

Software

Name	Version	Classification
MOLREP		phasing
REFMAC	5.2.0019	refinement
MOSFLM		data reduction
SCALA		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.7→32.04 Å / Cor.coef. F_o:F_c: 0.939 / Cor.coef. F_o:F_c free: 0.928 / SU B: 10.945 / SU ML: 0.224 / Cross valid method: THROUGHOUT / ESU R: 1.456 / ESU R Free: 0.365 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.259	3678	5 %	RANDOM
R_work	0.241	-	-	-
obs	0.242	69466	85.1 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 5.87 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.39 Å²	0 Å²	0 Å²
2-	-	-0.39 Å²	0 Å²
3-	-	-	0.79 Å²

Refinement step

Cycle: LAST / Resolution: 2.7→32.04 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	15804	0	374	246	16424

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.017	0.021	16420
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.76	2.026	22188
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.062	5	1932
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	36.842	25.067	900
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	23.711	15	3168
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	21.766	15	120
X-RAY DIFFRACTION	r_chiral_restr	0.148	0.2	2316
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	12468
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.244	0.2	8346
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.323	0.2	11140
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.16	0.2	526
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined	0.019	0.2	8
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.276	0.2	127
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.126	0.2	22
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.684	1.5	9761
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.028	2	15168
X-RAY DIFFRACTION	r_scbond_it	1.827	3	7528
X-RAY DIFFRACTION	r_scangle_it	2.845	4.5	7008
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-ID	Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	1	A	1304	tight positional	0.01	0.05
1	2	B	1304	tight positional	0.01	0.05
1	3	C	1304	tight positional	0.01	0.05
1	4	D	1304	tight positional	0.01	0.05
1	5	E	1304	tight positional	0.01	0.05
1	6	F	1304	tight positional	0.01	0.05
1	7	G	1304	tight positional	0.01	0.05
1	8	H	1304	tight positional	0.01	0.05
1	9	I	1304	tight positional	0.01	0.05
1	10	J	1304	tight positional	0.01	0.05
1	11	K	1304	tight positional	0.01	0.05
1	12	L	1304	tight positional	0.01	0.05
2	1	B	1304	tight positional	0.01	0.05
2	2	A	1304	tight positional	0.01	0.05
2	3	C	1304	tight positional	0.01	0.05
2	4	D	1304	tight positional	0.01	0.05
2	5	E	1304	tight positional	0.01	0.05
2	6	F	1304	tight positional	0.01	0.05
2	7	G	1304	tight positional	0.01	0.05
2	8	H	1304	tight positional	0.01	0.05
2	9	I	1304	tight positional	0.01	0.05
2	10	J	1304	tight positional	0.01	0.05
2	11	K	1304	tight positional	0.01	0.05
2	12	L	1304	tight positional	0.01	0.05
3	1	C	1304	tight positional	0.01	0.05
3	2	A	1304	tight positional	0.01	0.05
3	3	B	1304	tight positional	0.01	0.05
3	4	D	1304	tight positional	0.01	0.05
3	5	E	1304	tight positional	0.01	0.05
3	6	F	1304	tight positional	0.01	0.05
3	7	G	1304	tight positional	0.01	0.05
3	8	H	1304	tight positional	0.01	0.05
3	9	I	1304	tight positional	0.01	0.05
3	10	J	1304	tight positional	0.01	0.05
3	11	K	1304	tight positional	0.01	0.05
3	12	L	1304	tight positional	0.01	0.05
4	1	D	1304	tight positional	0.01	0.05
4	2	A	1304	tight positional	0.01	0.05
4	3	B	1304	tight positional	0.01	0.05
4	4	C	1304	tight positional	0.01	0.05
4	5	E	1304	tight positional	0.01	0.05
4	6	F	1304	tight positional	0.01	0.05
4	7	G	1304	tight positional	0.01	0.05
4	8	H	1304	tight positional	0.01	0.05
4	9	I	1304	tight positional	0.01	0.05
4	10	J	1304	tight positional	0.01	0.05
4	11	K	1304	tight positional	0.01	0.05
4	12	L	1304	tight positional	0.01	0.05
5	1	E	1304	tight positional	0.01	0.05
5	2	A	1304	tight positional	0.01	0.05
5	3	B	1304	tight positional	0.01	0.05
5	4	C	1304	tight positional	0.01	0.05
5	5	D	1304	tight positional	0.01	0.05
5	6	F	1304	tight positional	0.01	0.05
5	7	G	1304	tight positional	0.01	0.05
5	8	H	1304	tight positional	0.01	0.05
5	9	I	1304	tight positional	0.01	0.05
5	10	J	1304	tight positional	0.01	0.05
5	11	K	1304	tight positional	0.01	0.05
5	12	L	1304	tight positional	0.01	0.05
6	1	F	1304	tight positional	0.01	0.05
6	2	A	1304	tight positional	0.01	0.05
6	3	B	1304	tight positional	0.01	0.05
6	4	C	1304	tight positional	0.01	0.05
6	5	D	1304	tight positional	0.01	0.05
6	6	E	1304	tight positional	0.01	0.05
6	7	G	1304	tight positional	0.01	0.05
6	8	H	1304	tight positional	0.01	0.05
6	9	I	1304	tight positional	0.01	0.05
6	10	J	1304	tight positional	0.01	0.05
6	11	K	1304	tight positional	0.01	0.05
6	12	L	1304	tight positional	0.01	0.05
7	1	G	1304	tight positional	0.01	0.05
7	2	A	1304	tight positional	0.01	0.05
7	3	B	1304	tight positional	0.01	0.05
7	4	C	1304	tight positional	0.01	0.05
7	5	D	1304	tight positional	0.01	0.05
7	6	E	1304	tight positional	0.01	0.05
7	7	F	1304	tight positional	0.01	0.05
7	8	H	1304	tight positional	0.01	0.05
7	9	I	1304	tight positional	0.01	0.05
7	10	J	1304	tight positional	0.01	0.05
7	11	K	1304	tight positional	0.01	0.05
7	12	L	1304	tight positional	0.01	0.05
8	1	H	1304	tight positional	0.01	0.05
8	2	A	1304	tight positional	0.01	0.05
8	3	B	1304	tight positional	0.01	0.05
8	4	C	1304	tight positional	0.01	0.05
8	5	D	1304	tight positional	0.01	0.05
8	6	E	1304	tight positional	0.01	0.05
8	7	F	1304	tight positional	0.01	0.05
8	8	G	1304	tight positional	0.01	0.05
8	9	I	1304	tight positional	0.01	0.05
8	10	J	1304	tight positional	0.01	0.05
8	11	K	1304	tight positional	0.01	0.05
8	12	L	1304	tight positional	0.01	0.05
9	1	I	1304	tight positional	0.01	0.05
9	2	A	1304	tight positional	0.01	0.05
9	3	B	1304	tight positional	0.01	0.05
9	4	C	1304	tight positional	0.01	0.05
9	5	D	1304	tight positional	0.01	0.05
9	6	E	1304	tight positional	0.01	0.05
9	7	F	1304	tight positional	0.01	0.05
9	8	G	1304	tight positional	0.01	0.05
9	9	H	1304	tight positional	0.01	0.05
9	10	J	1304	tight positional	0.01	0.05
9	11	K	1304	tight positional	0.01	0.05
9	12	L	1304	tight positional	0.01	0.05
10	1	J	1304	tight positional	0.01	0.05
10	2	A	1304	tight positional	0.01	0.05
10	3	B	1304	tight positional	0.01	0.05
10	4	C	1304	tight positional	0.01	0.05
10	5	D	1304	tight positional	0.01	0.05
10	6	E	1304	tight positional	0.01	0.05
10	7	F	1304	tight positional	0.01	0.05
10	8	G	1304	tight positional	0.01	0.05
10	9	H	1304	tight positional	0.01	0.05
10	10	I	1304	tight positional	0.01	0.05
10	11	K	1304	tight positional	0.01	0.05
10	12	L	1304	tight positional	0.01	0.05
11	1	K	1316	tight positional	0.01	0.05
11	2	A	1316	tight positional	0.01	0.05
11	3	B	1316	tight positional	0.01	0.05
11	4	C	1316	tight positional	0.01	0.05
11	5	D	1316	tight positional	0.01	0.05
11	6	E	1316	tight positional	0.01	0.05
11	7	F	1316	tight positional	0.01	0.05
11	8	G	1316	tight positional	0.01	0.05
11	9	H	1316	tight positional	0.01	0.05
11	10	I	1316	tight positional	0.01	0.05
11	11	J	1316	tight positional	0.01	0.05
11	12	L	1316	tight positional	0.01	0.05
12	1	L	1316	tight positional	0.01	0.05
12	2	A	1316	tight positional	0.01	0.05
12	3	B	1316	tight positional	0.01	0.05
12	4	C	1316	tight positional	0.01	0.05
12	5	D	1316	tight positional	0.01	0.05
12	6	E	1316	tight positional	0.01	0.05
12	7	F	1316	tight positional	0.01	0.05
12	8	G	1316	tight positional	0.01	0.05
12	9	H	1316	tight positional	0.01	0.05
12	10	I	1316	tight positional	0.01	0.05
12	11	J	1316	tight positional	0.01	0.05
12	12	K	1316	tight positional	0.01	0.05
13	1	B	43	tight positional	0	0.05
13	2	D	43	tight positional	0	0.05
13	3	F	43	tight positional	0	0.05
13	4	H	43	tight positional	0	0.05
13	5	J	43	tight positional	0	0.05
13	6	L	43	tight positional	0	0.05
14	1	D	43	tight positional	0	0.05
14	2	B	43	tight positional	0	0.05
14	3	F	43	tight positional	0	0.05
14	4	H	43	tight positional	0	0.05
14	5	J	43	tight positional	0	0.05
14	6	L	43	tight positional	0	0.05
15	1	F	43	tight positional	0	0.05
15	2	B	43	tight positional	0	0.05
15	3	D	43	tight positional	0	0.05
15	4	H	43	tight positional	0	0.05
15	5	J	43	tight positional	0	0.05
15	6	L	43	tight positional	0	0.05
16	1	H	43	tight positional	0	0.05
16	2	B	43	tight positional	0	0.05
16	3	D	43	tight positional	0	0.05
16	4	F	43	tight positional	0	0.05
16	5	J	43	tight positional	0	0.05
16	6	L	43	tight positional	0	0.05
17	1	J	43	tight positional	0	0.05
17	2	B	43	tight positional	0	0.05
17	3	D	43	tight positional	0	0.05
17	4	F	43	tight positional	0	0.05
17	5	H	43	tight positional	0	0.05
17	6	L	43	tight positional	0	0.05
18	1	L	43	tight positional	0	0.05
18	2	B	43	tight positional	0	0.05
18	3	D	43	tight positional	0	0.05
18	4	F	43	tight positional	0	0.05
18	5	H	43	tight positional	0	0.05
18	6	J	43	tight positional	0	0.05
18	1	L	43	tight positional	0	0.05
1	1	A	12	medium positional	0.02	0.5
1	2	B	12	medium positional	0.03	0.5
1	3	C	12	medium positional	0.03	0.5
1	4	D	12	medium positional	0.02	0.5
1	5	E	12	medium positional	0.03	0.5
1	6	F	12	medium positional	0.03	0.5
1	7	G	12	medium positional	0.03	0.5
1	8	H	12	medium positional	0.02	0.5
1	9	I	12	medium positional	0.03	0.5
1	10	J	12	medium positional	0.03	0.5
1	11	K	12	medium positional	0.02	0.5
1	12	L	12	medium positional	0.03	0.5
2	1	B	12	medium positional	0.03	0.5
2	2	A	12	medium positional	0.02	0.5
2	3	C	12	medium positional	0.03	0.5
2	4	D	12	medium positional	0.02	0.5
2	5	E	12	medium positional	0.03	0.5
2	6	F	12	medium positional	0.03	0.5
2	7	G	12	medium positional	0.03	0.5
2	8	H	12	medium positional	0.02	0.5
2	9	I	12	medium positional	0.03	0.5
2	10	J	12	medium positional	0.03	0.5
2	11	K	12	medium positional	0.02	0.5
2	12	L	12	medium positional	0.03	0.5
3	1	C	12	medium positional	0.03	0.5
3	2	A	12	medium positional	0.02	0.5
3	3	B	12	medium positional	0.03	0.5
3	4	D	12	medium positional	0.02	0.5
3	5	E	12	medium positional	0.03	0.5
3	6	F	12	medium positional	0.03	0.5
3	7	G	12	medium positional	0.03	0.5
3	8	H	12	medium positional	0.02	0.5
3	9	I	12	medium positional	0.03	0.5
3	10	J	12	medium positional	0.03	0.5
3	11	K	12	medium positional	0.02	0.5
3	12	L	12	medium positional	0.03	0.5
4	1	D	12	medium positional	0.02	0.5
4	2	A	12	medium positional	0.02	0.5
4	3	B	12	medium positional	0.03	0.5
4	4	C	12	medium positional	0.03	0.5
4	5	E	12	medium positional	0.03	0.5
4	6	F	12	medium positional	0.03	0.5
4	7	G	12	medium positional	0.03	0.5
4	8	H	12	medium positional	0.02	0.5
4	9	I	12	medium positional	0.03	0.5
4	10	J	12	medium positional	0.03	0.5
4	11	K	12	medium positional	0.02	0.5
4	12	L	12	medium positional	0.03	0.5
5	1	E	12	medium positional	0.03	0.5
5	2	A	12	medium positional	0.02	0.5
5	3	B	12	medium positional	0.03	0.5
5	4	C	12	medium positional	0.03	0.5
5	5	D	12	medium positional	0.02	0.5
5	6	F	12	medium positional	0.03	0.5
5	7	G	12	medium positional	0.03	0.5
5	8	H	12	medium positional	0.02	0.5
5	9	I	12	medium positional	0.03	0.5
5	10	J	12	medium positional	0.03	0.5
5	11	K	12	medium positional	0.02	0.5
5	12	L	12	medium positional	0.03	0.5
6	1	F	12	medium positional	0.03	0.5
6	2	A	12	medium positional	0.02	0.5
6	3	B	12	medium positional	0.03	0.5
6	4	C	12	medium positional	0.03	0.5
6	5	D	12	medium positional	0.02	0.5
6	6	E	12	medium positional	0.03	0.5
6	7	G	12	medium positional	0.03	0.5
6	8	H	12	medium positional	0.02	0.5
6	9	I	12	medium positional	0.03	0.5
6	10	J	12	medium positional	0.03	0.5
6	11	K	12	medium positional	0.02	0.5
6	12	L	12	medium positional	0.03	0.5
7	1	G	12	medium positional	0.03	0.5
7	2	A	12	medium positional	0.02	0.5
7	3	B	12	medium positional	0.03	0.5
7	4	C	12	medium positional	0.03	0.5
7	5	D	12	medium positional	0.02	0.5
7	6	E	12	medium positional	0.03	0.5
7	7	F	12	medium positional	0.03	0.5
7	8	H	12	medium positional	0.02	0.5
7	9	I	12	medium positional	0.03	0.5
7	10	J	12	medium positional	0.03	0.5
7	11	K	12	medium positional	0.02	0.5
7	12	L	12	medium positional	0.03	0.5
8	1	H	12	medium positional	0.02	0.5
8	2	A	12	medium positional	0.02	0.5
8	3	B	12	medium positional	0.03	0.5
8	4	C	12	medium positional	0.03	0.5
8	5	D	12	medium positional	0.02	0.5
8	6	E	12	medium positional	0.03	0.5
8	7	F	12	medium positional	0.03	0.5
8	8	G	12	medium positional	0.03	0.5
8	9	I	12	medium positional	0.03	0.5
8	10	J	12	medium positional	0.03	0.5
8	11	K	12	medium positional	0.02	0.5
8	12	L	12	medium positional	0.03	0.5
9	1	I	12	medium positional	0.03	0.5
9	2	A	12	medium positional	0.02	0.5
9	3	B	12	medium positional	0.03	0.5
9	4	C	12	medium positional	0.03	0.5
9	5	D	12	medium positional	0.02	0.5
9	6	E	12	medium positional	0.03	0.5
9	7	F	12	medium positional	0.03	0.5
9	8	G	12	medium positional	0.03	0.5
9	9	H	12	medium positional	0.02	0.5
9	10	J	12	medium positional	0.03	0.5
9	11	K	12	medium positional	0.02	0.5
9	12	L	12	medium positional	0.03	0.5
10	1	J	12	medium positional	0.03	0.5
10	2	A	12	medium positional	0.02	0.5
10	3	B	12	medium positional	0.03	0.5
10	4	C	12	medium positional	0.03	0.5
10	5	D	12	medium positional	0.02	0.5
10	6	E	12	medium positional	0.03	0.5
10	7	F	12	medium positional	0.03	0.5
10	8	G	12	medium positional	0.03	0.5
10	9	H	12	medium positional	0.02	0.5
10	10	I	12	medium positional	0.03	0.5
10	11	K	12	medium positional	0.02	0.5
10	12	L	12	medium positional	0.03	0.5
1	1	A	1304	tight thermal	0.01	0.5
1	2	B	1304	tight thermal	0.01	0.5
1	3	C	1304	tight thermal	0.01	0.5
1	4	D	1304	tight thermal	0.01	0.5
1	5	E	1304	tight thermal	0.01	0.5
1	6	F	1304	tight thermal	0.01	0.5
1	7	G	1304	tight thermal	0.01	0.5
1	8	H	1304	tight thermal	0.01	0.5
1	9	I	1304	tight thermal	0.01	0.5
1	10	J	1304	tight thermal	0.01	0.5
1	11	K	1304	tight thermal	0.01	0.5
1	12	L	1304	tight thermal	0.01	0.5
2	1	B	1304	tight thermal	0.01	0.5
2	2	A	1304	tight thermal	0.01	0.5
2	3	C	1304	tight thermal	0.01	0.5
2	4	D	1304	tight thermal	0.01	0.5
2	5	E	1304	tight thermal	0.01	0.5
2	6	F	1304	tight thermal	0.01	0.5
2	7	G	1304	tight thermal	0.01	0.5
2	8	H	1304	tight thermal	0.01	0.5
2	9	I	1304	tight thermal	0.01	0.5
2	10	J	1304	tight thermal	0.01	0.5
2	11	K	1304	tight thermal	0.01	0.5
2	12	L	1304	tight thermal	0.01	0.5
3	1	C	1304	tight thermal	0.01	0.5
3	2	A	1304	tight thermal	0.01	0.5
3	3	B	1304	tight thermal	0.01	0.5
3	4	D	1304	tight thermal	0.01	0.5
3	5	E	1304	tight thermal	0.01	0.5
3	6	F	1304	tight thermal	0.01	0.5
3	7	G	1304	tight thermal	0.01	0.5
3	8	H	1304	tight thermal	0.01	0.5
3	9	I	1304	tight thermal	0.01	0.5
3	10	J	1304	tight thermal	0.01	0.5
3	11	K	1304	tight thermal	0.01	0.5
3	12	L	1304	tight thermal	0.01	0.5
4	1	D	1304	tight thermal	0.01	0.5
4	2	A	1304	tight thermal	0.01	0.5
4	3	B	1304	tight thermal	0.01	0.5
4	4	C	1304	tight thermal	0.01	0.5
4	5	E	1304	tight thermal	0.01	0.5
4	6	F	1304	tight thermal	0.01	0.5
4	7	G	1304	tight thermal	0.01	0.5
4	8	H	1304	tight thermal	0.01	0.5
4	9	I	1304	tight thermal	0.01	0.5
4	10	J	1304	tight thermal	0.01	0.5
4	11	K	1304	tight thermal	0.01	0.5
4	12	L	1304	tight thermal	0.01	0.5
5	1	E	1304	tight thermal	0.01	0.5
5	2	A	1304	tight thermal	0.01	0.5
5	3	B	1304	tight thermal	0.01	0.5
5	4	C	1304	tight thermal	0.01	0.5
5	5	D	1304	tight thermal	0.01	0.5
5	6	F	1304	tight thermal	0.01	0.5
5	7	G	1304	tight thermal	0.01	0.5
5	8	H	1304	tight thermal	0.01	0.5
5	9	I	1304	tight thermal	0.01	0.5
5	10	J	1304	tight thermal	0.01	0.5
5	11	K	1304	tight thermal	0.01	0.5
5	12	L	1304	tight thermal	0.01	0.5
6	1	F	1304	tight thermal	0.01	0.5
6	2	A	1304	tight thermal	0.01	0.5
6	3	B	1304	tight thermal	0.01	0.5
6	4	C	1304	tight thermal	0.01	0.5
6	5	D	1304	tight thermal	0.01	0.5
6	6	E	1304	tight thermal	0.01	0.5
6	7	G	1304	tight thermal	0.01	0.5
6	8	H	1304	tight thermal	0.01	0.5
6	9	I	1304	tight thermal	0.01	0.5
6	10	J	1304	tight thermal	0.01	0.5
6	11	K	1304	tight thermal	0.01	0.5
6	12	L	1304	tight thermal	0.01	0.5
7	1	G	1304	tight thermal	0.01	0.5
7	2	A	1304	tight thermal	0.01	0.5
7	3	B	1304	tight thermal	0.01	0.5
7	4	C	1304	tight thermal	0.01	0.5
7	5	D	1304	tight thermal	0.01	0.5
7	6	E	1304	tight thermal	0.01	0.5
7	7	F	1304	tight thermal	0.01	0.5
7	8	H	1304	tight thermal	0.01	0.5
7	9	I	1304	tight thermal	0.01	0.5
7	10	J	1304	tight thermal	0.01	0.5
7	11	K	1304	tight thermal	0.01	0.5
7	12	L	1304	tight thermal	0.01	0.5
8	1	H	1304	tight thermal	0.01	0.5
8	2	A	1304	tight thermal	0.01	0.5
8	3	B	1304	tight thermal	0.01	0.5
8	4	C	1304	tight thermal	0.01	0.5
8	5	D	1304	tight thermal	0.01	0.5
8	6	E	1304	tight thermal	0.01	0.5
8	7	F	1304	tight thermal	0.01	0.5
8	8	G	1304	tight thermal	0.01	0.5
8	9	I	1304	tight thermal	0.01	0.5
8	10	J	1304	tight thermal	0.01	0.5
8	11	K	1304	tight thermal	0.01	0.5
8	12	L	1304	tight thermal	0.01	0.5
9	1	I	1304	tight thermal	0.01	0.5
9	2	A	1304	tight thermal	0.01	0.5
9	3	B	1304	tight thermal	0.01	0.5
9	4	C	1304	tight thermal	0.01	0.5
9	5	D	1304	tight thermal	0.01	0.5
9	6	E	1304	tight thermal	0.01	0.5
9	7	F	1304	tight thermal	0.01	0.5
9	8	G	1304	tight thermal	0.01	0.5
9	9	H	1304	tight thermal	0.01	0.5
9	10	J	1304	tight thermal	0.01	0.5
9	11	K	1304	tight thermal	0.01	0.5
9	12	L	1304	tight thermal	0.01	0.5
10	1	J	1304	tight thermal	0.01	0.5
10	2	A	1304	tight thermal	0.01	0.5
10	3	B	1304	tight thermal	0.01	0.5
10	4	C	1304	tight thermal	0.01	0.5
10	5	D	1304	tight thermal	0.01	0.5
10	6	E	1304	tight thermal	0.01	0.5
10	7	F	1304	tight thermal	0.01	0.5
10	8	G	1304	tight thermal	0.01	0.5
10	9	H	1304	tight thermal	0.01	0.5
10	10	I	1304	tight thermal	0.01	0.5
10	11	K	1304	tight thermal	0.01	0.5
10	12	L	1304	tight thermal	0.01	0.5
11	1	K	1316	tight thermal	0.01	0.5
11	2	A	1316	tight thermal	0.01	0.5
11	3	B	1316	tight thermal	0.01	0.5
11	4	C	1316	tight thermal	0.01	0.5
11	5	D	1316	tight thermal	0.01	0.5
11	6	E	1316	tight thermal	0.01	0.5
11	7	F	1316	tight thermal	0.01	0.5
11	8	G	1316	tight thermal	0.01	0.5
11	9	H	1316	tight thermal	0.01	0.5
11	10	I	1316	tight thermal	0.01	0.5
11	11	J	1316	tight thermal	0.01	0.5
11	12	L	1316	tight thermal	0.01	0.5
12	1	L	1316	tight thermal	0.01	0.5
12	2	A	1316	tight thermal	0.01	0.5
12	3	B	1316	tight thermal	0.01	0.5
12	4	C	1316	tight thermal	0.01	0.5
12	5	D	1316	tight thermal	0.01	0.5
12	6	E	1316	tight thermal	0.01	0.5
12	7	F	1316	tight thermal	0.01	0.5
12	8	G	1316	tight thermal	0.01	0.5
12	9	H	1316	tight thermal	0.01	0.5
12	10	I	1316	tight thermal	0.01	0.5
12	11	J	1316	tight thermal	0.01	0.5
12	12	K	1316	tight thermal	0.01	0.5
13	1	B	43	tight thermal	0	0.5
13	2	D	43	tight thermal	0	0.5
13	3	F	43	tight thermal	0	0.5
13	4	H	43	tight thermal	0	0.5
13	5	J	43	tight thermal	0	0.5
13	6	L	43	tight thermal	0	0.5
14	1	D	43	tight thermal	0	0.5
14	2	B	43	tight thermal	0	0.5
14	3	F	43	tight thermal	0	0.5
14	4	H	43	tight thermal	0	0.5
14	5	J	43	tight thermal	0	0.5
14	6	L	43	tight thermal	0	0.5
15	1	F	43	tight thermal	0	0.5
15	2	B	43	tight thermal	0	0.5
15	3	D	43	tight thermal	0	0.5
15	4	H	43	tight thermal	0	0.5
15	5	J	43	tight thermal	0	0.5
15	6	L	43	tight thermal	0	0.5
16	1	H	43	tight thermal	0	0.5
16	2	B	43	tight thermal	0	0.5
16	3	D	43	tight thermal	0	0.5
16	4	F	43	tight thermal	0	0.5
16	5	J	43	tight thermal	0	0.5
16	6	L	43	tight thermal	0	0.5
17	1	J	43	tight thermal	0	0.5
17	2	B	43	tight thermal	0	0.5
17	3	D	43	tight thermal	0	0.5
17	4	F	43	tight thermal	0	0.5
17	5	H	43	tight thermal	0	0.5
17	6	L	43	tight thermal	0	0.5
18	1	L	43	tight thermal	0	0.5
18	2	B	43	tight thermal	0	0.5
18	3	D	43	tight thermal	0	0.5
18	4	F	43	tight thermal	0	0.5
18	5	H	43	tight thermal	0	0.5
18	6	J	43	tight thermal	0	0.5
18	1	L	43	tight thermal	0	0.5
1	1	A	12	medium thermal	0.04	2
1	2	B	12	medium thermal	0.03	2
1	3	C	12	medium thermal	0.03	2
1	4	D	12	medium thermal	0.03	2
1	5	E	12	medium thermal	0.03	2
1	6	F	12	medium thermal	0.03	2
1	7	G	12	medium thermal	0.02	2
1	8	H	12	medium thermal	0.05	2
1	9	I	12	medium thermal	0.03	2
1	10	J	12	medium thermal	0.03	2
1	11	K	12	medium thermal	0.02	2
1	12	L	12	medium thermal	0.03	2
2	1	B	12	medium thermal	0.03	2
2	2	A	12	medium thermal	0.04	2
2	3	C	12	medium thermal	0.03	2
2	4	D	12	medium thermal	0.03	2
2	5	E	12	medium thermal	0.03	2
2	6	F	12	medium thermal	0.03	2
2	7	G	12	medium thermal	0.02	2
2	8	H	12	medium thermal	0.05	2
2	9	I	12	medium thermal	0.03	2
2	10	J	12	medium thermal	0.03	2
2	11	K	12	medium thermal	0.02	2
2	12	L	12	medium thermal	0.03	2
3	1	C	12	medium thermal	0.03	2
3	2	A	12	medium thermal	0.04	2
3	3	B	12	medium thermal	0.03	2
3	4	D	12	medium thermal	0.03	2
3	5	E	12	medium thermal	0.03	2
3	6	F	12	medium thermal	0.03	2
3	7	G	12	medium thermal	0.02	2
3	8	H	12	medium thermal	0.05	2
3	9	I	12	medium thermal	0.03	2
3	10	J	12	medium thermal	0.03	2
3	11	K	12	medium thermal	0.02	2
3	12	L	12	medium thermal	0.03	2
4	1	D	12	medium thermal	0.03	2
4	2	A	12	medium thermal	0.04	2
4	3	B	12	medium thermal	0.03	2
4	4	C	12	medium thermal	0.03	2
4	5	E	12	medium thermal	0.03	2
4	6	F	12	medium thermal	0.03	2
4	7	G	12	medium thermal	0.02	2
4	8	H	12	medium thermal	0.05	2
4	9	I	12	medium thermal	0.03	2
4	10	J	12	medium thermal	0.03	2
4	11	K	12	medium thermal	0.02	2
4	12	L	12	medium thermal	0.03	2
5	1	E	12	medium thermal	0.03	2
5	2	A	12	medium thermal	0.04	2
5	3	B	12	medium thermal	0.03	2
5	4	C	12	medium thermal	0.03	2
5	5	D	12	medium thermal	0.03	2
5	6	F	12	medium thermal	0.03	2
5	7	G	12	medium thermal	0.02	2
5	8	H	12	medium thermal	0.05	2
5	9	I	12	medium thermal	0.03	2
5	10	J	12	medium thermal	0.03	2
5	11	K	12	medium thermal	0.02	2
5	12	L	12	medium thermal	0.03	2
6	1	F	12	medium thermal	0.03	2
6	2	A	12	medium thermal	0.04	2
6	3	B	12	medium thermal	0.03	2
6	4	C	12	medium thermal	0.03	2
6	5	D	12	medium thermal	0.03	2
6	6	E	12	medium thermal	0.03	2
6	7	G	12	medium thermal	0.02	2
6	8	H	12	medium thermal	0.05	2
6	9	I	12	medium thermal	0.03	2
6	10	J	12	medium thermal	0.03	2
6	11	K	12	medium thermal	0.02	2
6	12	L	12	medium thermal	0.03	2
7	1	G	12	medium thermal	0.02	2
7	2	A	12	medium thermal	0.04	2
7	3	B	12	medium thermal	0.03	2
7	4	C	12	medium thermal	0.03	2
7	5	D	12	medium thermal	0.03	2
7	6	E	12	medium thermal	0.03	2
7	7	F	12	medium thermal	0.03	2
7	8	H	12	medium thermal	0.05	2
7	9	I	12	medium thermal	0.03	2
7	10	J	12	medium thermal	0.03	2
7	11	K	12	medium thermal	0.02	2
7	12	L	12	medium thermal	0.03	2
8	1	H	12	medium thermal	0.05	2
8	2	A	12	medium thermal	0.04	2
8	3	B	12	medium thermal	0.03	2
8	4	C	12	medium thermal	0.03	2
8	5	D	12	medium thermal	0.03	2
8	6	E	12	medium thermal	0.03	2
8	7	F	12	medium thermal	0.03	2
8	8	G	12	medium thermal	0.02	2
8	9	I	12	medium thermal	0.03	2
8	10	J	12	medium thermal	0.03	2
8	11	K	12	medium thermal	0.02	2
8	12	L	12	medium thermal	0.03	2
9	1	I	12	medium thermal	0.03	2
9	2	A	12	medium thermal	0.04	2
9	3	B	12	medium thermal	0.03	2
9	4	C	12	medium thermal	0.03	2
9	5	D	12	medium thermal	0.03	2
9	6	E	12	medium thermal	0.03	2
9	7	F	12	medium thermal	0.03	2
9	8	G	12	medium thermal	0.02	2
9	9	H	12	medium thermal	0.05	2
9	10	J	12	medium thermal	0.03	2
9	11	K	12	medium thermal	0.02	2
9	12	L	12	medium thermal	0.03	2
10	1	J	12	medium thermal	0.03	2
10	2	A	12	medium thermal	0.04	2
10	3	B	12	medium thermal	0.03	2
10	4	C	12	medium thermal	0.03	2
10	5	D	12	medium thermal	0.03	2
10	6	E	12	medium thermal	0.03	2
10	7	F	12	medium thermal	0.03	2
10	8	G	12	medium thermal	0.02	2
10	9	H	12	medium thermal	0.05	2
10	10	I	12	medium thermal	0.03	2
10	11	K	12	medium thermal	0.02	2
10	12	L	12	medium thermal	0.03	2

LS refinement shell

Resolution: 2.7→2.77 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.373	125	-
R_work	0.356	2531	-
obs	-	-	42.58 %

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