List of data items in ./3ebx.cif
data_3ebx.pdb.
_audit_creation_date ?
_audit_creation_method 'PDB2CIF Convertor version 0.9c'
_database_code_PDB 3EBX
_chemical_name_common
;
ERABUTOXIN $B
;
_chemical_compound_source
;
SEA SNAKE (LATICAUDA $SEMIFASCIATA) VENOM
;
_audit_contact_author_name ' J.L.SMITH '
_audit_contact_author_address ?
_audit_contact_author_phone ?
_audit_contact_author_fax ?
_audit_contact_author_email ?
loop_
_audit_author_name
_audit_author_address
' P.W.R.CORFIELD '
?
' W.A.HENDRICKSON '
?
' B.W.LOW '
?
loop_
_database_PDB_rev_num
_database_PDB_rev_author_name
_database_PDB_rev_date
_database_PDB_rev_date_original
_database_PDB_rev_replaces
_database_PDB_rev_status
_database_PDB_rev_mod_type
1
?
88-APR-16
88-JAN-15
?
?
0
2
?
88-OCT-09
88-JAN-15
?
?
1
loop_
_database_PDB_rev_rec_rev_num
_database_PDB_rev_rec_type
2
JRNL
loop_
_citation_id
_citation_coordinate_linkage
_citation_title
_citation_country
_citation_journal_abbrev
_citation_journal_volume
_citation_journal_issue
_citation_page_first
_citation_year
_citation_journal_coden_ASTM
_citation_journal_codon_ISSN
_citation_journal_codon_PDB
_citation_book_title
_citation_book_publisher
_citation_book_codon_ISBM
_citation_special_details
primary
yes
;
REFINEMENT AT 1.4 ANGSTROMS RESOLUTION OF A MODEL
OF ERABUTOXIN $B. TREATMENT OF ORDERED SOLVENT AND
DISCRETE DISORDER
;
DK
'ACTA CRYSTALLOGR.,SECT.A '
44
?
357
1988
'ACACEQ '
'0108-7673 '
?
?
?
?
?
2
no
;
THEORETICAL AND MODEL STUDIES
;
SI
'ASIA PAC.J.PHARMACOL. '
2
?
115
1987
'APJPEV '
'0217-9687 '
?
?
?
?
?
3
no
;
ERABUTOXIN $B. STRUCTURE(SLASH)FUNCTION
RELATIONSHIPS FOLLOWING INITIAL PROTEIN REFINEMENT
AT 0.140-NM RESOLUTION
;
IX
'EUR.J.BIOCHEM. '
161
?
579
1986
'EJBCAI '
'0014-2956 '
?
?
?
?
?
4
no
;
SEQUENCE ANALYSIS AT 0.140-NM RESOLUTION
;
IX
'EUR.J.BIOCHEM. '
153
?
521
1985
'EJBCAI '
'0014-2956 '
?
?
?
?
?
5
no
;
THE TOXIN-*AGGLUTININ FOLD. A NEW GROUP OF SMALL
PROTEIN STRUCTURES ORGANIZED AROUND A
FOUR-DISULFIDE CORE
;
US
'J.BIOL.CHEM. '
255
?
2652
1980
'JBCHA3 '
'0021-9258 '
?
?
?
?
?
6
no
;
MOLECULAR CONFORMATION OF ERABUTOXIN $B. ATOMIC
COORDINATES AT 2.5 ANGSTROMS RESOLUTION
;
US
'BIOCHEM.BIOPHYS.RES.COMM. '
88
?
950
1979
'BBRCA9 '
'0006-291X '
?
?
?
?
?
7
no
;
THE THREE-*DIMENSIONAL STRUCTURE OF POSTSYNAPTIC
SNAKE NEUROTOXINS. CONSIDERATION OF STRUCTURE AND
FUNCTION
;
GW
'HANDB.EXP.PHARMACOL. '
52
?
213
1979
'HEPHD2 '
'0171-2004 '
?
?
?
?
?
8
no
;
THREE DIMENSIONAL STRUCTURE OF ERABUTOXIN $B
NEUROTOXIC PROTEIN. INHIBITOR OF ACETYLCHOLINE
RECEPTOR
;
US
'PROC.NAT.ACAD.SCI.USA '
73
?
2991
1976
'PNASA6 '
'0027-8424 '
?
?
?
?
?
9
no
;
X-RAY CRYSTALLOGRAPHIC STUDY OF THE ERABUTOXINS AND
OF A DIIODO DERIVATIVE
;
US
'J.BIOL.CHEM. '
246
?
4366
1971
'JBCHA3 '
'0021-9258 '
?
?
?
?
?
loop_
_citation_author_citation_id
_citation_author_name
primary
'J.L.SMITH '
primary
'P.W.R.CORFIELD '
primary
'W.A.HENDRICKSON '
primary
'B.W.LOW '
2
'B.W.LOW '
2
'P.W.R.CORFIELD '
3
'B.W.LOW '
3
'P.W.R.CORFIELD '
4
'P.E.BOURNE '
4
'A.SATO '
4
'P.W.R.CORFIELD '
4
'L.S.ROSEN '
4
'S.BIRKEN '
4
'B.W.LOW '
5
'J.DRENTH '
5
'B.W.LOW '
5
'J.S.RICHARDSON '
5
'C.S.WRIGHT '
6
'M.R.KIMBALL '
6
'A.SATO '
6
'J.S.RICHARDSON '
6
'L.S.ROSEN '
6
'B.W.LOW '
7
'B.W.LOW '
8
'B.W.LOW '
8
'H.S.PRESTON '
8
'A.SATO '
8
'L.S.ROSEN '
8
'J.E.SEARL '
8
'A.D.RUDKO '
8
'J.S.RICHARDSON '
9
'B.W.LOW '
9
'R.POTTER '
9
'R.B.JACKSON '
9
'N.TAMIYA '
9
'S.SATO '
_diffrn_overall_dspacing_min ' 1.4 ANGSTROMS. '
loop_
_database_PDB_rev_remark_id
_database_PDB_rev_remark_text
3
;
REFINEMENT. BY THE RESTRAINED LEAST-SQUARES PROCEDURE OF J.
KONNERT AND W. HENDRICKSON (PROGRAM *PROLSQ*). THE
STARTING COORDINATES WERE THOSE OF P. BOURNE ET AL.
(PREVIOUSLY DISTRIBUTED BY THE PROTEIN DATA BANK AS ENTRY
*2EBX*). THE R VALUE IS 0.14 FOR 7732 REFLECTIONS WITH
FOBS**2 .GT. 2.0*SIGMA(FOBS)**2, REPRESENTING 74 PER CENT
OF THE TOTAL AVAILABLE DATA IN THE RESOLUTION RANGE 10.0
TO 1.4 ANGSTROMS. (THE R VALUE IS 0.176 FOR ALL 10405
REFLECTIONS IN THIS SAME RANGE). THE RMS DEVIATION FROM
IDEALITY OF THE BOND LENGTHS IS 0.016 ANGSTROMS. THE RMS
DEVIATION FROM IDEALITY OF THE BOND ANGLES IS 1.5 DEGREES.
;
4
;
IN THIS STAGE OF THE REFINEMENT, EMPHASIS WAS ON DEFINING
DISORDERED GROUPS WITHIN THE PROTEIN AND ON EXTENDING THE
DESCRIPTION OF THE SOLVENT STRUCTURE. THE FINAL MODEL
INCLUDES A TOTAL OF 111 SITES FOR WATER MOLECULES WITH
OCCUPANCY FACTORS RANGING FROM 0.3 TO 1.0. THE SUM OF ALL
WATER OCCUPANCY FACTORS EQUALS 65. ONE HALF-WEIGHT SULFATE
ION ALSO WAS LOCATED. SOLVENT NUMBERING HERE CORRESPONDS
TO THAT PRESENTED IN THE *JRNL* REFERENCE ABOVE. FOR THE
PROTEIN, THE FINAL MODEL INCLUDES TWO WELL-DEFINED
CONFORMERS FOR EACH OF SEVEN SIDE CHAINS, AND TWO LESS
WELL-DEFINED CONFORMERS FOR THE OCTAPEPTIDE SEGMENT 44-51.
;
5
;
SHIFTS FROM ENTRY *2EBX* IN POSITIONS OF NON-DISORDERED
PROTEIN ATOMS ARE VERY SMALL. THE RMS DEVIATION IS 0.5
ANGSTROMS FOR ALL NON-DISORDERED ATOMS AND 0.07 ANGSTROMS
FOR MAIN CHAIN ATOMS.
;
6
;
THE PREVIOUS REFINEMENT ESTABLISHED THE STRUCTURAL IDENTITY
OF ERABUTOXIN B AND NEUROTOXIN B. ERABUTOXIN B WAS
ISOLATED FROM THE VENOM OF LATICAUDA SEMIFASCIATA FOUND OFF
THE OKINAWAS (RYUKU ISLANDS). NEUROTOXIN B WAS ALSO
ISOLATED FROM THE VENOM OF LATICAUDA SEMIFASCIATA BUT FOUND
IN DIFFERENT PACIFIC OCEAN WATERS. PREVIOUS CHEMICAL
SEQUENCE ERRORS IN THESE TOXINS AT HIS 6-GLU 7 AND
SER 18-PRO 19 WERE CORRECTED IN ENTRY *2EBX*. THE CHEMICAL
DESIGNATION VAL 59 (CITED AS ARG 59 IN NEUROTOXIN B) WAS
ALSO UNAMBIGUOUSLY VERIFED.
;
7
;
THE POSTSYNAPTIC NEUROTOXINS OF SEA SNAKE VENOM ARE
ANTAGONISTS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR. THE
HOMOLOGY BETWEEN ALL THESE VENOM NEUROTOXINS OF BOTH SHORT
AND LONG CHAIN SERIES IS ACKNOWLEDGED IN SOME PUBLICATIONS
BY SEQUENCE NUMBER CHANGES (SEE REFERENCE 6 ABOVE FOR
DETAILS).
;
8
;
THE FEATURES OF THE REACTIVE SITE OF ERABUTOXIN B ESTABLISH
IT AS A VALID PROTOTYPE FOR ALL THE POSTSYNAPTIC
NEUROTOXINS OF THIS SNAKE VENOM SERIES. SITE *RCT* BELOW
PRESENTS THE SERIES INVARIANT RESIDUES OF THE REACTIVE
SITE. FIVE OF THESE RESIDUES (PHE 32, ILE 36, GLU 38, ILE
50, LEU 52) ARE TYPE-CONSERVED THROUGHOUT THE SERIES. THE
ENUMERATION IS FOR A 62-RESIDUE TOXIN. SITE *FNR* BELOW
PRESENTS THE RESIDUES IN THE REACTIVE SITE SHOWN CHEMICALLY
TO BIND DIRECTLY TO RECEPTOR. SITE *CMR* PRESENTS THE
RESIDUES, INCLUDING FOUR CYSTINE LINKAGES, WHICH AID IN
MAINTAINING THE UNIQUE TOXIN FOLD CONFORMATION. ALL
RESIDUES PRESENTED ON *SITE* RECORDS BELOW ARE
COMMON-INVARIANT OR TYPE-CONSERVED HOMOLOGOUS SERIES
RESIDUES, EXCEPT GLY 42. (IN THE LONG SERIES, INVARIANT
GLY 42 IS SUBSTITUTED BY INVARIANT ALA, ALA, THR.)
;
9
;
ONLY MAIN-CHAIN TO MAIN-CHAIN HYDROGEN BONDS ARE PRESENTED
ON THE *CONECT* RECORDS BELOW. SALT BRIDGES, MAIN-CHAIN TO
SIDE-CHAIN, SIDE-CHAIN TO SIDE-CHAIN AND HYDROGEN BONDS
INVOLVING WATER MOLECULES ARE NOT INCLUDED.
THE RANGE OF N-H...O DISTANCES IS 2.77 TO 3.21 ANGSTROMS.
THE MEAN OF N-H...O IN BETA TURNS IS 3.15 ANGSTROMS.
THE MEAN OF N-H...O NOT IN TURNS IS 2.91 ANGSTROMS.
;
10
;
THE BETA SHEET *DCE* WAS INADVERTENTLY NOT INCLUDED IN
ENTRY *2EBX*.
;
11
;
CORRECTION. UPDATE JRNL REFERENCE TO REFLECT PUBLICATION.
09-OCT-88.
;
loop_
_entity_poly_seq_entity_id
_entity_poly_seq_num
_entity_poly_seq_mon_id
A
1
ARG
A
2
ILE
A
3
CYS
A
4
PHE
A
5
ASN
A
6
HIS
A
7
GLN
A
8
SER
A
9
SER
A
10
GLN
A
11
PRO
A
12
GLN
A
13
THR
A
14
THR
A
15
LYS
A
16
THR
A
17
CYS
A
18
SER
A
19
PRO
A
20
GLY
A
21
GLU
A
22
SER
A
23
SER
A
24
CYS
A
25
TYR
A
26
HIS
A
27
LYS
A
28
GLN
A
29
TRP
A
30
SER
A
31
ASP
A
32
PHE
A
33
ARG
A
34
GLY
A
35
THR
A
36
ILE
A
37
ILE
A
38
GLU
A
39
ARG
A
40
GLY
A
41
CYS
A
42
GLY
A
43
CYS
A
44
PRO
A
45
THR
A
46
VAL
A
47
LYS
A
48
PRO
A
49
GLY
A
50
ILE
A
51
LYS
A
52
LEU
A
53
SER
A
54
CYS
A
55
CYS
A
56
GLU
A
57
SER
A
58
GLU
A
59
VAL
A
60
CYS
A
61
ASN
A
62
ASN
loop_
_atom_sites_footnote_id
_atom_sites_footnote_text
1
;
SEE REMARK 4.
;
loop_
_struct_conf_type_id
_struct_conf_type_criteria
_struct_conf_type_reference
STRN
'From PDB'
?
TURN
'From PDB'
?
loop_
_struct_conf_id
_struct_conf_conf_type_id
_struct_conf_beg_label_res_id
_struct_conf_beg_label_asym_id
_struct_conf_beg_label_seq_id
_struct_conf_end_label_res_id
_struct_conf_end_label_asym_id
_struct_conf_end_label_seq_id
_struct_conf_special_details
'STRN AB'
STRN
ARG
A
1
ASN
A
5
?
'STRN AB'
STRN
THR
A
13
CYS
A
17
?
'STRNDCE'
STRN
GLY
A
34
CYS
A
41
?
'STRNDCE'
STRN
SER
A
23
ASP
A
31
?
'STRNDCE'
STRN
ILE
A
50
CYS
A
55
?
'TURN T1'
TURN
GLN
A
7
GLN
A
10
'TYPE II(PRIME) BEND '
'TURN T2'
TURN
SER
A
18
GLU
A
21
'TYPE II BEND '
'TURN T3'
TURN
ASP
A
31
GLY
A
34
'TYPE I/III BEND '
'TURN T4'
TURN
LYS
A
47
ILE
A
50
'TYPE II BEND '
'TURN T5'
TURN
SER
A
57
CYS
A
60
'TYPE II BEND (DISTORTED) '
loop_
_struct_site_id
_struct_site_special_details
RCT
?
RCT
?
RCT
?
RCT
?
RCT
?
FNR
?
CMR
?
CMR
?
CMR
?
CMR
?
loop_
_struct_site_gen_id
_struct_site_gen_site_id
_struct_site_gen_label_res_id
_struct_site_gen_label_asym_id
_struct_site_gen_label_seq_id
_struct_site_gen_label_alt_id
_struct_site_gen_symmetry
_struct_site_gen_special_details
1
RCT
TYR
A
25
?
1_555
?
2
RCT
LYS
A
27
?
1_555
?
3
RCT
TRP
A
29
?
1_555
?
4
RCT
ASP
A
31
?
1_555
?
5
RCT
PHE
A
32
?
1_555
?
6
RCT
ARG
A
33
?
1_555
?
7
RCT
GLY
A
34
?
1_555
?
8
RCT
ILE
A
36
?
1_555
?
9
RCT
GLU
A
38
?
1_555
?
10
RCT
GLY
A
40
?
1_555
?
11
RCT
CYS
A
41
?
1_555
?
12
RCT
GLY
A
42
?
1_555
?
13
RCT
CYS
A
43
?
1_555
?
14
RCT
PRO
A
44
?
1_555
?
15
RCT
VAL
A
46
?
1_555
?
16
RCT
LYS
A
47
?
1_555
?
17
RCT
GLY
A
49
?
1_555
?
18
RCT
ILE
A
50
?
1_555
?
19
RCT
LEU
A
52
?
1_555
?
20
RCT
CYS
A
54
?
1_555
?
21
FNR
LYS
A
27
?
1_555
?
22
FNR
TRP
A
29
?
1_555
?
23
FNR
ARG
A
33
?
1_555
?
24
FNR
LYS
A
47
?
1_555
?
25
CMR
CYS
A
3
?
1_555
?
26
CMR
PHE
A
4
?
1_555
?
27
CMR
CYS
A
17
?
1_555
?
28
CMR
CYS
A
24
?
1_555
?
29
CMR
TYR
A
25
?
1_555
?
30
CMR
GLY
A
40
?
1_555
?
31
CMR
CYS
A
41
?
1_555
?
32
CMR
GLY
A
42
?
1_555
?
33
CMR
CYS
A
43
?
1_555
?
34
CMR
CYS
A
54
?
1_555
?
35
CMR
CYS
A
55
?
1_555
?
36
CMR
CYS
A
60
?
1_555
?
37
CMR
ASN
A
61
?
1_555
?
_cell_length_a 49.940
_cell_length_b 46.580
_cell_length_c 21.590
_cell_angle_alpha 90.000
_cell_angle_beta 90.000
_cell_angle_gamma 90.000
_cell_volume 168219.0
_cell_special_details ?
_cell_formula_units_Z 4
_symmetry_space_group_name_H_M ' P 21 21 21'
_atom_sites_Cartn_transform_axes ?
_atom_sites_fract_tran_matrix_11 0.020024
_atom_sites_fract_tran_matrix_12 0.000000
_atom_sites_fract_tran_matrix_13 0.000000
_atom_sites_fract_tran_vector_11 0.00000
_atom_sites_fract_tran_matrix_21 0.000000
_atom_sites_fract_tran_matrix_22 0.021468
_atom_sites_fract_tran_matrix_23 0.000000
_atom_sites_fract_tran_vector_22 0.00000
_atom_sites_fract_tran_matrix_31 0.000000
_atom_sites_fract_tran_matrix_32 0.000000
_atom_sites_fract_tran_matrix_33 0.046948
_atom_sites_fract_tran_vector_33 0.00000
loop_
_struct_conn_type_id
_struct_conn_type_criteria
_struct_conn_type_reference
saltbr
'defined by user in PDB file'
?
hydrog
'defined by user in PDB file'
?
disulf
'defined by user in PDB file'
?
loop_
_struct_conn_id
_struct_conn_conn_type_id
_struct_conn_par1_label_res_id
_struct_conn_par1_label_asym_id
_struct_conn_par1_label_seq_id
_struct_conn_par1_label_atom_id
_struct_conn_par1_label_alt_id
_struct_conn_role_par1
_struct_conn_symmetry_par1
_struct_conn_par2_label_res_id
_struct_conn_par2_label_asym_id
_struct_conn_par2_label_seq_id
_struct_conn_par2_label_atom_id
_struct_conn_par2_label_alt_id
_struct_conn_role_par2
_struct_conn_symmetry_par2
_struct_conn_special_details
1
covale
ARG
A
1
' O '
?
?
1_555
ARG
A
1
' C '
?
?
1_555
?
2
hydrog
ARG
A
1
' O '
?
acc
1_555
CYS
A
17
' N '
?
don
1_555
?
3
covale
ILE
A
2
' O '
?
?
1_555
ILE
A
2
' C '
?
?
1_555
?
4
hydrog
ILE
A
2
' O '
?
acc
1_555
VAL
A
59
' N '
?
don
1_555
?
5
covale
CYS
A
3
' N '
?
?
1_555
ILE
A
2
' C '
?
?
1_555
?
6
covale
CYS
A
3
' N '
?
?
1_555
CYS
A
3
' CA '
?
?
1_555
?
7
hydrog
CYS
A
3
' N '
?
don
1_555
LYS
A
15
' O '
?
acc
1_555
?
8
covale
CYS
A
3
' O '
?
?
1_555
CYS
A
3
' C '
?
?
1_555
?
9
hydrog
CYS
A
3
' O '
?
acc
1_555
LYS
A
15
' N '
?
don
1_555
?
10
covale
CYS
A
3
' SG '
?
?
1_555
CYS
A
3
' CB '
?
?
1_555
?
11
covale
CYS
A
3
' SG '
?
?
1_555
CYS
A
24
' SG '
?
?
1_555
?
12
covale
ASN
A
5
' N '
?
?
1_555
PHE
A
4
' C '
?
?
1_555
?
13
covale
ASN
A
5
' N '
?
?
1_555
ASN
A
5
' CA '
?
?
1_555
?
14
hydrog
ASN
A
5
' N '
?
don
1_555
THR
A
13
' O '
?
acc
1_555
?
15
covale
GLN
A
7
' O '
?
?
1_555
GLN
A
7
' C '
?
?
1_555
?
16
hydrog
GLN
A
7
' O '
?
acc
1_555
GLN
A
10
' N '
?
don
1_555
?
17
covale
SER
A
8
' N '
?
?
1_555
GLN
A
7
' C '
?
?
1_555
?
18
covale
SER
A
8
' N '
?
?
1_555
SER
A
8
' CA '
?
?
1_555
?
19
hydrog
SER
A
8
' N '
?
don
1_555
ILE
A
37
' O '
?
acc
1_555
?
20
covale
GLN
A
10
' N '
?
?
1_555
SER
A
9
' C '
A
?
1_555
?
21
covale
GLN
A
10
' N '
?
?
1_555
SER
A
9
' C '
B
?
1_555
?
22
covale
GLN
A
10
' N '
?
?
1_555
GLN
A
10
' CA '
?
?
1_555
?
23
hydrog
GLN
A
10
' N '
?
don
1_555
GLN
A
7
' O '
?
acc
1_555
?
24
covale
THR
A
13
' O '
?
?
1_555
THR
A
13
' C '
?
?
1_555
?
25
hydrog
THR
A
13
' O '
?
acc
1_555
ASN
A
5
' N '
?
don
1_555
?
26
covale
LYS
A
15
' N '
?
?
1_555
THR
A
14
' C '
?
?
1_555
?
27
covale
LYS
A
15
' N '
?
?
1_555
LYS
A
15
' CA '
?
?
1_555
?
28
hydrog
LYS
A
15
' N '
?
don
1_555
CYS
A
3
' O '
?
acc
1_555
?
29
covale
LYS
A
15
' O '
?
?
1_555
LYS
A
15
' C '
?
?
1_555
?
30
hydrog
LYS
A
15
' O '
?
acc
1_555
CYS
A
3
' N '
?
don
1_555
?
31
covale
CYS
A
17
' N '
?
?
1_555
THR
A
16
' C '
?
?
1_555
?
32
covale
CYS
A
17
' N '
?
?
1_555
CYS
A
17
' CA '
?
?
1_555
?
33
hydrog
CYS
A
17
' N '
?
don
1_555
ARG
A
1
' O '
?
acc
1_555
?
34
covale
CYS
A
17
' SG '
?
?
1_555
CYS
A
17
' CB '
?
?
1_555
?
35
covale
CYS
A
17
' SG '
?
?
1_555
CYS
A
41
' SG '
?
?
1_555
?
36
covale
SER
A
18
' O '
?
?
1_555
SER
A
18
' C '
?
?
1_555
?
37
hydrog
SER
A
18
' O '
?
acc
1_555
GLU
A
21
' N '
?
don
1_555
?
38
covale
GLU
A
21
' N '
?
?
1_555
GLY
A
20
' C '
?
?
1_555
?
39
covale
GLU
A
21
' N '
?
?
1_555
GLU
A
21
' CA '
?
?
1_555
?
40
hydrog
GLU
A
21
' N '
?
don
1_555
SER
A
18
' O '
?
acc
1_555
?
41
covale
SER
A
23
' O '
?
?
1_555
SER
A
23
' C '
?
?
1_555
?
42
hydrog
SER
A
23
' O '
?
acc
1_555
GLY
A
42
' N '
?
don
1_555
?
43
covale
CYS
A
24
' N '
?
?
1_555
SER
A
23
' C '
?
?
1_555
?
44
covale
CYS
A
24
' N '
?
?
1_555
CYS
A
24
' CA '
?
?
1_555
?
45
hydrog
CYS
A
24
' N '
?
don
1_555
CYS
A
55
' O '
?
acc
1_555
?
46
covale
CYS
A
24
' O '
?
?
1_555
CYS
A
24
' C '
?
?
1_555
?
47
hydrog
CYS
A
24
' O '
?
acc
1_555
CYS
A
55
' N '
?
don
1_555
?
48
covale
CYS
A
24
' SG '
?
?
1_555
CYS
A
3
' SG '
?
?
1_555
?
49
covale
CYS
A
24
' SG '
?
?
1_555
CYS
A
24
' CB '
?
?
1_555
?
50
covale
TYR
A
25
' N '
?
?
1_555
CYS
A
24
' C '
?
?
1_555
?
51
covale
TYR
A
25
' N '
?
?
1_555
TYR
A
25
' CA '
?
?
1_555
?
52
hydrog
TYR
A
25
' N '
?
don
1_555
GLY
A
40
' O '
?
acc
1_555
?
53
covale
TYR
A
25
' O '
?
?
1_555
TYR
A
25
' C '
?
?
1_555
?
54
hydrog
TYR
A
25
' O '
?
acc
1_555
GLY
A
40
' N '
?
don
1_555
?
55
covale
HIS
A
26
' N '
?
?
1_555
TYR
A
25
' C '
?
?
1_555
?
56
covale
HIS
A
26
' N '
?
?
1_555
HIS
A
26
' CA '
?
?
1_555
?
57
hydrog
HIS
A
26
' N '
?
don
1_555
SER
A
53
' O '
?
acc
1_555
?
58
covale
HIS
A
26
' O '
?
?
1_555
HIS
A
26
' C '
?
?
1_555
?
59
hydrog
HIS
A
26
' O '
?
acc
1_555
SER
A
53
' N '
?
don
1_555
?
60
covale
LYS
A
27
' N '
?
?
1_555
HIS
A
26
' C '
?
?
1_555
?
61
covale
LYS
A
27
' N '
?
?
1_555
LYS
A
27
' CA '
?
?
1_555
?
62
hydrog
LYS
A
27
' N '
?
don
1_555
GLU
A
38
' O '
?
acc
1_555
?
63
covale
LYS
A
27
' O '
?
?
1_555
LYS
A
27
' C '
?
?
1_555
?
64
hydrog
LYS
A
27
' O '
?
acc
1_555
GLU
A
38
' N '
?
don
1_555
?
65
covale
GLN
A
28
' N '
?
?
1_555
LYS
A
27
' C '
?
?
1_555
?
66
covale
GLN
A
28
' N '
?
?
1_555
GLN
A
28
' CA '
?
?
1_555
?
67
hydrog
GLN
A
28
' N '
?
don
1_555
LYS
A
51
' O '
A
acc
1_555
?
68
hydrog
GLN
A
28
' N '
?
don
1_555
LYS
A
51
' O '
B
acc
1_555
?
69
covale
GLN
A
28
' O '
?
?
1_555
GLN
A
28
' C '
?
?
1_555
?
70
hydrog
GLN
A
28
' O '
?
acc
1_555
LYS
A
51
' N '
A
don
1_555
?
71
hydrog
GLN
A
GLN
' '
?
acc
1_555
LYS
A
51
' N '
B
don
1_555
?
72
covale
TRP
A
29
' N '
?
?
1_555
GLN
A
28
' C '
?
?
1_555
?
73
covale
TRP
A
29
' N '
?
?
1_555
TRP
A
29
' CA '
?
?
1_555
?
74
hydrog
TRP
A
29
' N '
?
don
1_555
ILE
A
36
' O '
?
acc
1_555
?
75
covale
TRP
A
29
' O '
?
?
1_555
TRP
A
29
' C '
?
?
1_555
?
76
hydrog
TRP
A
29
' O '
?
acc
1_555
ILE
A
36
' N '
?
don
1_555
?
77
covale
ASP
A
31
' O '
?
?
1_555
ASP
A
31
' C '
?
?
1_555
?
78
hydrog
ASP
A
31
' O '
?
acc
1_555
GLY
A
34
' N '
?
don
1_555
?
79
covale
GLY
A
34
' N '
?
?
1_555
ARG
A
33
' C '
?
?
1_555
?
80
covale
GLY
A
34
' N '
?
?
1_555
GLY
A
34
' CA '
?
?
1_555
?
81
hydrog
GLY
A
34
' N '
?
don
1_555
ASP
A
31
' O '
?
acc
1_555
?
82
covale
ILE
A
36
' N '
?
?
1_555
THR
A
35
' C '
?
?
1_555
?
83
covale
ILE
A
36
' N '
?
?
1_555
ILE
A
36
' CA '
?
?
1_555
?
84
hydrog
ILE
A
36
' N '
?
don
1_555
TRP
A
29
' O '
?
acc
1_555
?
85
covale
ILE
A
36
' O '
?
?
1_555
ILE
A
36
' C '
?
?
1_555
?
86
hydrog
ILE
A
36
' O '
?
acc
1_555
TRP
A
29
' N '
?
don
1_555
?
87
covale
ILE
A
37
' O '
?
?
1_555
ILE
A
37
' C '
?
?
1_555
?
88
hydrog
ILE
A
37
' O '
?
acc
1_555
SER
A
8
' N '
?
don
1_555
?
89
covale
GLU
A
38
' N '
?
?
1_555
ILE
A
37
' C '
?
?
1_555
?
90
covale
GLU
A
38
' N '
?
?
1_555
GLU
A
38
' CA '
?
?
1_555
?
91
hydrog
GLU
A
38
' N '
?
don
1_555
LYS
A
27
' O '
?
acc
1_555
?
92
covale
GLU
A
38
' O '
?
?
1_555
GLU
A
38
' C '
?
?
1_555
?
93
hydrog
GLU
A
38
' O '
?
acc
1_555
LYS
A
27
' N '
?
don
1_555
?
94
covale
GLY
A
40
' N '
?
?
1_555
ARG
A
39
' C '
?
?
1_555
?
95
covale
GLY
A
40
' N '
?
?
1_555
GLY
A
40
' CA '
?
?
1_555
?
96
hydrog
GLY
A
40
' N '
?
don
1_555
TYR
A
25
' O '
?
acc
1_555
?
97
covale
GLY
A
40
' O '
?
?
1_555
GLY
A
40
' C '
?
?
1_555
?
98
hydrog
GLY
A
40
' O '
?
acc
1_555
TYR
A
25
' N '
?
don
1_555
?
99
covale
CYS
A
41
' SG '
?
?
1_555
CYS
A
17
' SG '
?
?
1_555
?
100
covale
CYS
A
41
' SG '
?
?
1_555
CYS
A
41
' CB '
?
?
1_555
?
101
covale
GLY
A
42
' N '
?
?
1_555
CYS
A
41
' C '
?
?
1_555
?
102
covale
GLY
A
42
' N '
?
?
1_555
GLY
A
42
' CA '
?
?
1_555
?
103
hydrog
GLY
A
42
' N '
?
don
1_555
SER
A
23
' O '
?
acc
1_555
?
104
covale
CYS
A
43
' SG '
?
?
1_555
CYS
A
43
' CB '
?
?
1_555
?
105
covale
CYS
A
43
' SG '
?
?
1_555
CYS
A
54
' SG '
?
?
1_555
?
106
covale
LYS
A
47
' O '
B
?
1_555
LYS
A
47
' C '
B
?
1_555
?
107
hydrog
LYS
A
47
' O '
B
acc
1_555
ILE
A
50
' N '
A
don
1_555
?
108
covale
ILE
A
50
' N '
A
?
1_555
GLY
A
49
' C '
A
?
1_555
?
109
covale
ILE
A
50
' N '
A
?
1_555
ILE
A
50
' CA '
A
?
1_555
?
110
hydrog
ILE
A
50
' N '
A
don
1_555
LYS
A
47
' O '
B
acc
1_555
?
111
covale
LYS
A
51
' N '
A
?
1_555
ILE
A
50
' C '
A
?
1_555
?
112
covale
LYS
A
51
' N '
A
?
1_555
LYS
A
51
' CA '
A
?
1_555
?
113
hydrog
LYS
A
51
' N '
A
don
1_555
GLN
A
28
' O '
?
acc
1_555
?
114
covale
LYS
A
51
' N '
B
?
1_555
ILE
A
50
' C '
B
?
1_555
?
115
covale
LYS
A
51
' N '
B
?
1_555
LYS
A
51
' CA '
B
?
1_555
?
116
hydrog
LYS
A
51
' N '
B
don
1_555
GLN
A
28
' O '
?
acc
1_555
?
117
covale
LYS
A
51
' O '
A
?
1_555
LYS
A
51
' C '
A
?
1_555
?
118
hydrog
LYS
A
51
' O '
A
acc
1_555
GLN
A
28
' N '
?
don
1_555
?
119
covale
LYS
A
51
' O '
B
?
1_555
LYS
A
51
' C '
B
?
1_555
?
120
hydrog
LYS
A
51
' O '
B
acc
1_555
GLN
A
28
' N '
?
don
1_555
?
121
covale
SER
A
53
' N '
?
?
1_555
LEU
A
52
' C '
?
?
1_555
?
122
covale
SER
A
53
' N '
?
?
1_555
SER
A
53
' CA '
?
?
1_555
?
123
hydrog
SER
A
53
' N '
?
don
1_555
HIS
A
26
' O '
?
acc
1_555
?
124
covale
SER
A
53
' O '
?
?
1_555
SER
A
53
' C '
?
?
1_555
?
125
hydrog
SER
A
53
' O '
?
acc
1_555
HIS
A
26
' N '
?
don
1_555
?
126
covale
CYS
A
54
' SG '
?
?
1_555
CYS
A
43
' SG '
?
?
1_555
?
127
covale
CYS
A
54
' SG '
?
?
1_555
CYS
A
54
' CB '
?
?
1_555
?
128
covale
CYS
A
55
' N '
?
?
1_555
CYS
A
54
' C '
?
?
1_555
?
129
covale
CYS
A
55
' N '
?
?
1_555
CYS
A
55
' CA '
?
?
1_555
?
130
hydrog
CYS
A
55
' N '
?
don
1_555
CYS
A
24
' O '
?
acc
1_555
?
131
covale
CYS
A
55
' O '
?
?
1_555
CYS
A
55
' C '
?
?
1_555
?
132
hydrog
CYS
A
55
' O '
?
acc
1_555
CYS
A
24
' N '
?
don
1_555
?
133
covale
CYS
A
55
' SG '
?
?
1_555
CYS
A
55
' CB '
?
?
1_555
?
134
covale
CYS
A
55
' SG '
?
?
1_555
CYS
A
60
' SG '
?
?
1_555
?
135
covale
SER
A
57
' O '
A
?
1_555
SER
A
57
' C '
A
?
1_555
?
136
hydrog
SER
A
57
' O '
A
acc
1_555
CYS
A
60
' N '
?
don
1_555
?
137
covale
SER
A
57
' O '
B
?
1_555
SER
A
57
' C '
B
?
1_555
?
138
hydrog
SER
A
57
' O '
B
acc
1_555
CYS
A
60
' N '
?
don
1_555
?
139
covale
VAL
A
59
' N '
?
?
1_555
GLU
A
58
' C '
?
?
1_555
?
140
covale
VAL
A
59
' N '
?
?
1_555
VAL
A
59
' CA '
?
?
1_555
?
141
hydrog
VAL
A
59
' N '
?
don
1_555
ILE
A
2
' O '
?
acc
1_555
?
142
covale
CYS
A
60
' N '
?
?
1_555
VAL
A
59
' C '
?
?
1_555
?
143
covale
CYS
A
60
' N '
?
?
1_555
CYS
A
60
' CA '
?
?
1_555
?
144
hydrog
CYS
A
60
' N '
?
don
1_555
SER
A
57
' O '
A
acc
1_555
?
145
hydrog
CYS
A
60
' N '
?
don
1_555
SER
A
57
' O '
B
acc
1_555
?
146
covale
CYS
A
60
' SG '
?
?
1_555
CYS
A
55
' SG '
?
?
1_555
?
147
covale
CYS
A
60
' SG '
?
?
1_555
CYS
A
60
' CB '
?
?
1_555
?
148
covale
SO4
A
1
' S '
?
?
1_555
SO4
A
1
' O1 '
?
?
1_555
?
149
covale
SO4
A
1
' S '
?
?
1_555
SO4
A
1
' O2 '
?
?
1_555
?
150
covale
SO4
A
1
' S '
?
?
1_555
SO4
A
1
' O3 '
?
?
1_555
?
151
covale
SO4
A
1
' S '
?
?
1_555
SO4
A
1
' O4 '
?
?
1_555
?
152
covale
SO4
A
1
' O1 '
?
?
1_555
SO4
A
1
' S '
?
?
1_555
?
153
covale
SO4
A
1
' O2 '
?
?
1_555
SO4
A
1
' S '
?
?
1_555
?
154
covale
SO4
A
1
' O3 '
?
?
1_555
SO4
A
1
' S '
?
?
1_555
?
155
covale
SO4
A
1
' O4 '
?
?
1_555
SO4
A
1
' S '
?
?
1_555
?
156
disulf
CYS
A
' 3'
?
?
?
1_555
CYS
A
' 24'
?
?
?
1_555
'? '
157
disulf
CYS
A
' 17'
?
?
?
1_555
CYS
A
' 41'
?
?
?
1_555
'? '
158
disulf
CYS
A
' 43'
?
?
?
1_555
CYS
A
' 54'
?
?
?
1_555
'? '
159
disulf
CYS
A
' 55'
?
?
?
1_555
CYS
A
' 60'
?
?
?
1_555
'? '
loop_
_entity_id
_entity_type
_entity_name_common
_entity_name_systematic
_entity_name_systematic_system
_entity_source
_entity_special_details
HOH
non-polymer
?
?
?
?
?
loop_
_entity_poly_entity_id
_entity_poly_type
_entity_poly_formula_weight
_entity_poly_non_s_chirality
_entity_poly_non_s_linkage
_entity_poly_non_s_monomer
_entity_poly_type_details
loop_
1
SO4
'O4 S1 -- '
?
?
?
?
loop_
_atom_sites_alt_id
_atom_sites_alt_details
A
?
B
?
loop_
_atom_site_group_PDB
_atom_site_type_symbol
_atom_site_label_atom_id
_atom_site_label_res_id
_atom_site_label_asym_id
_atom_site_label_seq_id
_atom_site_label_alt_id
_atom_site_Cartn_x
_atom_site_Cartn_y
_atom_site_Cartn_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
_atom_site_footnote_id
_atom_site_entity_id
_atom_site_entity_seq_num
ATOM
N
' N '
ARG
A
1
?
11.065
7.352
9.598
1.00
9.90
?
A
1
ATOM
C
' CA '
ARG
A
1
?
12.436
7.764
9.902
1.00
8.93
?
A
1
ATOM
C
' C '
ARG
A
1
?
12.883
7.090
11.208
1.00
8.54
?
A
1
ATOM
O
' O '
ARG
A
1
?
12.088
7.000
12.147
1.00
9.45
?
A
1
ATOM
C
' CB '
ARG
A
1
?
12.611
9.264
10.060
1.00
9.90
?
A
1
ATOM
C
' CG '
ARG
A
1
?
13.934
9.828
10.490
1.00
12.23
?
A
1
ATOM
C
' CD '
ARG
A
1
?
15.037
9.669
9.467
1.00
11.95
?
A
1
ATOM
N
' NE '
ARG
A
1
?
14.741
10.489
8.291
1.00
12.32
?
A
1
ATOM
C
' CZ '
ARG
A
1
?
14.442
10.077
7.055
1.00
14.48
?
A
1
ATOM
N
' NH1'
ARG
A
1
?
14.416
8.776
6.715
1.00
15.99
?
A
1
ATOM
N
' NH2'
ARG
A
1
?
14.192
11.041
6.158
1.00
15.84
?
A
1
ATOM
N
' N '
ILE
A
2
?
14.105
6.667
11.195
1.00
6.77
?
A
2
ATOM
C
' CA '
ILE
A
2
?
14.738
6.044
12.368
1.00
7.83
?
A
2
ATOM
C
' C '
ILE
A
2
?
15.979
6.942
12.628
1.00
8.57
?
A
2
ATOM
O
' O '
ILE
A
2
?
16.691
7.299
11.653
1.00
8.87
?
A
2
ATOM
C
' CB '
ILE
A
2
?
15.182
4.556
12.120
1.00
9.88
?
A
2
ATOM
C
' CG1'
ILE
A
2
?
13.888
3.688
12.093
1.00
15.37
?
A
2
ATOM
C
' CG2'
ILE
A
2
?
16.132
4.170
13.275
1.00
11.34
?
A
2
ATOM
C
' CD1'
ILE
A
2
?
14.101
2.246
11.521
1.00
18.74
?
A
2
ATOM
N
' N '
CYS
A
3
?
16.149
7.340
13.890
1.00
6.37
?
A
3
ATOM
C
' CA '
CYS
A
3
?
17.317
8.191
14.194
1.00
7.05
?
A
3
ATOM
C
' C '
CYS
A
3
?
18.089
7.606
15.365
1.00
7.14
?
A
3
ATOM
O
' O '
CYS
A
3
?
17.520
6.890
16.183
1.00
8.19
?
A
3
ATOM
C
' CB '
CYS
A
3
?
16.742
9.548
14.704
1.00
7.18
?
A
3
ATOM
S
' SG '
CYS
A
3
?
15.807
10.533
13.546
1.00
6.75
?
A
3
ATOM
N
' N '
PHE
A
4
?
19.355
7.993
15.480
1.00
6.87
?
A
4
ATOM
C
' CA '
PHE
A
4
?
20.072
7.601
16.712
1.00
6.16
?
A
4
ATOM
C
' C '
PHE
A
4
?
19.513
8.393
17.864
1.00
6.14
?
A
4
ATOM
O
' O '
PHE
A
4
?
19.006
9.534
17.659
1.00
6.93
?
A
4
ATOM
C
' CB '
PHE
A
4
?
21.567
7.923
16.558
1.00
7.38
?
A
4
ATOM
C
' CG '
PHE
A
4
?
22.297
6.952
15.676
1.00
8.82
?
A
4
ATOM
C
' CD1'
PHE
A
4
?
22.956
7.333
14.524
1.00
11.78
?
A
4
ATOM
C
' CD2'
PHE
A
4
?
22.247
5.593
16.102
1.00
11.69
?
A
4
ATOM
C
' CE1'
PHE
A
4
?
23.610
6.358
13.762
1.00
13.33
?
A
4
ATOM
C
' CE2'
PHE
A
4
?
22.936
4.612
15.353
1.00
12.61
?
A
4
ATOM
C
' CZ '
PHE
A
4
?
23.591
5.037
14.200
1.00
13.57
?
A
4
ATOM
N
' N '
ASN
A
5
?
19.516
7.862
19.069
1.00
6.62
?
A
5
ATOM
C
' CA '
ASN
A
5
?
19.033
8.640
20.222
1.00
7.91
?
A
5
ATOM
C
' C '
ASN
A
5
?
19.994
8.470
21.466
1.00
7.22
?
A
5
ATOM
O
' O '
ASN
A
5
?
19.505
8.838
22.534
1.00
9.46
?
A
5
ATOM
C
' CB '
ASN
A
5
?
17.577
8.380
20.559
1.00
10.30
?
A
5
ATOM
C
' CG '
ASN
A
5
?
17.333
7.047
21.229
1.00
10.13
?
A
5
ATOM
O
' OD1'
ASN
A
5
?
18.067
6.093
21.024
1.00
11.97
?
A
5
ATOM
N
' ND2'
ASN
A
5
?
16.271
7.035
22.016
1.00
11.14
?
A
5
ATOM
N
' N '
HIS
A
6
?
21.169
7.976
21.223
1.00
7.56
?
A
6
ATOM
C
' CA '
HIS
A
6
?
22.133
7.774
22.381
1.00
9.69
?
A
6
ATOM
C
' C '
HIS
A
6
?
22.847
9.087
22.662
1.00
11.47
?
A
6
ATOM
O
' O '
HIS
A
6
?
22.929
9.993
21.828
1.00
10.04
?
A
6
ATOM
C
' CB '
HIS
A
6
?
23.121
6.645
22.100
1.00
10.23
?
A
6
ATOM
C
' CG '
HIS
A
6
?
23.961
6.915
20.898
1.00
9.67
?
A
6
ATOM
N
' ND1'
HIS
A
6
?
23.459
6.946
19.618
1.00
9.44
?
A
6
ATOM
C
' CD2'
HIS
A
6
?
25.301
7.119
20.774
1.00
10.08
?
A
6
ATOM
C
' CE1'
HIS
A
6
?
24.442
7.184
18.773
1.00
9.96
?
A
6
ATOM
N
' NE2'
HIS
A
6
?
25.563
7.233
19.467
1.00
10.52
?
A
6
ATOM
N
' N '
GLN
A
7
?
23.290
9.199
23.910
1.00
11.80
?
A
7
ATOM
C
' CA '
GLN
A
7
?
23.982
10.391
24.401
1.00
13.13
?
A
7
ATOM
C
' C '
GLN
A
7
?
25.464
10.163
24.195
1.00
15.51
?
A
7
ATOM
O
' O '
GLN
A
7
?
25.981
9.042
24.301
1.00
14.68
?
A
7
ATOM
C
' CB '
GLN
A
7
?
23.611
10.574
25.904
1.00
16.15
?
A
7
ATOM
C
' CG '
GLN
A
7
?
24.487
11.659
26.523
1.00
24.21
?
A
7
ATOM
C
' CD '
GLN
A
7
?
24.033
12.160
27.889
1.00
29.91
?
A
7
ATOM
O
' OE1'
GLN
A
7
?
23.340
13.172
28.051
1.00
31.18
?
A
7
ATOM
N
' NE2'
GLN
A
7
?
24.426
11.388
28.909
1.00
31.71
?
A
7
ATOM
N
' N '
SER
A
8
?
26.178
11.206
23.795
1.00
16.90
?
A
8
ATOM
C
' CA '
SER
A
8
?
27.609
11.227
23.613
1.00
17.69
?
A
8
ATOM
C
' C '
SER
A
8
?
28.196
10.011
22.966
1.00
18.20
?
A
8
ATOM
O
' O '
SER
A
8
?
27.780
9.638
21.858
1.00
17.22
?
A
8
ATOM
C
' CB '
SER
A
8
?
28.276
11.529
24.970
1.00
18.89
?
A
8
ATOM
O
' OG '
SER
A
8
?
27.652
12.716
25.553
1.00
21.44
?
A
8
ATOM
N
' N '
SER
A
9
A
29.162
9.372
23.645
0.50
18.55
1
A
9
ATOM
N
' N '
SER
A
9
B
29.129
9.401
23.680
0.50
19.19
1
A
9
ATOM
C
' CA '
SER
A
9
A
29.804
8.193
23.040
0.50
18.40
1
A
9
ATOM
C
' CA '
SER
A
9
B
29.899
8.242
23.278
0.50
19.69
1
A
9
ATOM
C
' C '
SER
A
9
A
29.328
6.866
23.604
0.50
18.67
1
A
9
ATOM
C
' C '
SER
A
9
B
29.356
6.884
23.698
0.50
19.30
1
A
9
ATOM
O
' O '
SER
A
9
A
30.058
5.862
23.421
0.50
18.78
1
A
9
ATOM
O
' O '
SER
A
9
B
30.089
5.884
23.493
0.50
19.55
1
A
9
ATOM
C
' CB '
SER
A
9
A
31.330
8.333
23.002
0.50
18.98
1
A
9
ATOM
C
' CB '
SER
A
9
B
31.303
8.365
23.978
0.50
21.17
1
A
9
ATOM
O
' OG '
SER
A
9
A
31.693
9.281
21.996
0.50
18.48
1
A
9
ATOM
O
' OG '
SER
A
9
B
31.072
8.237
25.391
0.50
23.53
1
A
9
ATOM
N
' N '
GLN
A
10
?
28.169
6.840
24.231
1.00
17.24
?
A
10
ATOM
C
' CA '
GLN
A
10
?
27.552
5.614
24.747
1.00
16.32
?
A
10
ATOM
C
' C '
GLN
A
10
?
27.147
4.679
23.626
1.00
16.05
?
A
10
ATOM
O
' O '
GLN
A
10
?
27.127
5.043
22.450
1.00
13.69
?
A
10
ATOM
C
' CB '
GLN
A
10
?
26.392
5.999
25.651
1.00
16.46
?
A
10
ATOM
C
' CG '
GLN
A
10
?
26.895
6.828
26.816
1.00
21.77
?
A
10
ATOM
C
' CD '
GLN
A
10
?
25.759
7.414
27.626
1.00
22.86
?
A
10
ATOM
O
' OE1'
GLN
A
10
?
25.943
8.475
28.246
1.00
28.10
?
A
10
ATOM
N
' NE2'
GLN
A
10
?
24.594
6.813
27.639
1.00
23.08
?
A
10
ATOM
N
' N '
PRO
A
11
?
26.864
3.400
23.975
1.00
15.53
?
A
11
ATOM
C
' CA '
PRO
A
11
?
26.500
2.395
22.983
1.00
14.33
?
A
11
ATOM
C
' C '
PRO
A
11
?
25.355
3.000
22.143
1.00
10.47
?
A
11
ATOM
O
' O '
PRO
A
11
?
24.477
3.603
22.732
1.00
9.78
?
A
11
ATOM
C
' CB '
PRO
A
11
?
26.081
1.202
23.858
1.00
15.27
?
A
11
ATOM
C
' CG '
PRO
A
11
?
27.084
1.338
25.036
1.00
15.70
?
A
11
ATOM
C
' CD '
PRO
A
11
?
26.917
2.855
25.360
1.00
16.14
?
A
11
ATOM
N
' N '
GLN
A
12
?
25.357
2.720
20.887
1.00
10.96
?
A
12
ATOM
C
' CA '
GLN
A
12
?
24.322
3.241
19.984
1.00
10.47
?
A
12
ATOM
C
' C '
GLN
A
12
?
22.951
2.664
20.245
1.00
11.44
?
A
12
ATOM
O
' O '
GLN
A
12
?
22.776
1.477
20.429
1.00
11.14
?
A
12
ATOM
C
' CB '
GLN
A
12
?
24.704
2.865
18.543
1.00
12.99
?
A
12
ATOM
C
' CG '
GLN
A
12
?
25.942
3.592
18.078
1.00
13.06
?
A
12
ATOM
C
' CD '
GLN
A
12
?
26.285
3.324
16.665
1.00
16.10
?
A
12
ATOM
O
' OE1'
GLN
A
12
?
25.914
2.302
16.110
1.00
18.35
?
A
12
ATOM
N
' NE2'
GLN
A
12
?
26.954
4.280
16.016
1.00
21.13
?
A
12
ATOM
N
' N '
THR
A
13
?
21.967
3.546
20.183
1.00
9.26
?
A
13
ATOM
C
' CA '
THR
A
13
?
20.561
3.198
20.314
1.00
9.89
?
A
13
ATOM
C
' C '
THR
A
13
?
19.785
3.981
19.249
1.00
9.40
?
A
13
ATOM
O
' O '
THR
A
13
?
20.300
5.060
18.855
1.00
8.57
?
A
13
ATOM
C
' CB '
THR
A
13
?
19.908
3.384
21.701
1.00
9.47
?
A
13
ATOM
O
' OG1'
THR
A
13
?
20.047
4.787
22.100
1.00
12.66
?
A
13
ATOM
C
' CG2'
THR
A
13
?
20.589
2.443
22.741
1.00
13.21
?
A
13
ATOM
N
' N '
THR
A
14
?
18.660
3.425
18.841
1.00
8.74
?
A
14
ATOM
C
' CA '
THR
A
14
?
17.860
4.126
17.818
1.00
9.01
?
A
14
ATOM
C
' C '
THR
A
14
?
16.436
4.306
18.338
1.00
11.13
?
A
14
ATOM
O
' O '
THR
A
14
?
15.971
3.609
19.251
1.00
11.19
?
A
14
ATOM
C
' CB '
THR
A
14
?
17.864
3.362
16.449
1.00
11.81
?
A
14
ATOM
O
' OG1'
THR
A
14
?
17.099
2.133
16.732
1.00
12.39
?
A
14
ATOM
C
' CG2'
THR
A
14
?
19.264
3.144
15.903
1.00
10.70
?
A
14
ATOM
N
' N '
LYS
A
15
?
15.761
5.208
17.694
1.00
9.76
?
A
15
ATOM
C
' CA '
LYS
A
15
?
14.353
5.551
17.932
1.00
11.59
?
A
15
ATOM
C
' C '
LYS
A
15
?
13.620
5.647
16.620
1.00
10.07
?
A
15
ATOM
O
' O '
LYS
A
15
?
14.101
6.262
15.669
1.00
8.10
?
A
15
ATOM
C
' CB '
LYS
A
15
?
14.259
6.874
18.660
1.00
13.49
?
A
15
ATOM
C
' CG '
LYS
A
15
?
12.851
7.182
19.146
1.00
18.63
?
A
15
ATOM
C
' CD '
LYS
A
15
?
12.814
8.533
19.790
1.00
24.50
?
A
15
ATOM
C
' CE '
LYS
A
15
?
11.464
8.848
20.378
1.00
28.25
?
A
15
ATOM
N
' NZ '
LYS
A
15
?
11.538
10.275
20.859
1.00
30.38
?
A
15
ATOM
N
' N '
THR
A
16
?
12.442
5.051
16.574
1.00
9.76
?
A
16
ATOM
C
' CA '
THR
A
16
?
11.594
5.162
15.385
1.00
8.90
?
A
16
ATOM
C
' C '
THR
A
16
?
10.719
6.415
15.592
1.00
7.83
?
A
16
ATOM
O
' O '
THR
A
16
?
10.012
6.494
16.601
1.00
9.76
?
A
16
ATOM
C
' CB '
THR
A
16
?
10.678
3.920
15.120
1.00
10.36
?
A
16
ATOM
O
' OG1'
THR
A
16
?
11.652
2.850
14.941
1.00
14.50
?
A
16
ATOM
C
' CG2'
THR
A
16
?
9.808
4.079
13.852
1.00
12.84
?
A
16
ATOM
N
' N '
CYS
A
17
?
10.803
7.389
14.697
1.00
6.33
?
A
17
ATOM
C
' CA '
CYS
A
17
?
10.077
8.656
14.860
1.00
8.35
?
A
17
ATOM
C
' C '
CYS
A
17
?
8.593
8.520
14.573
1.00
8.80
?
A
17
ATOM
O
' O '
CYS
A
17
?
8.161
7.491
14.066
1.00
9.23
?
A
17
ATOM
C
' CB '
CYS
A
17
?
10.706
9.750
13.984
1.00
8.91
?
A
17
ATOM
S
' SG '
CYS
A
17
?
12.534
9.834
14.112
1.00
9.01
?
A
17
ATOM
N
' N '
SER
A
18
?
7.902
9.621
14.878
1.00
8.15
?
A
18
ATOM
C
' CA '
SER
A
18
?
6.436
9.552
14.567
1.00
10.68
?
A
18
ATOM
C
' C '
SER
A
18
?
6.287
9.730
13.049
1.00
10.82
?
A
18
ATOM
O
' O '
SER
A
18
?
7.124
10.246
12.306
1.00
11.90
?
A
18
ATOM
C
' CB '
SER
A
18
?
5.687
10.570
15.337
1.00
14.98
?
A
18
ATOM
O
' OG '
SER
A
18
A
6.225
11.165
16.468
0.50
14.28
1
A
18
ATOM
O
' OG '
SER
A
18
B
6.181
11.830
15.086
0.50
9.85
1
A
18
ATOM
N
' N '
PRO
A
19
?
5.119
9.294
12.538
1.00
11.31
?
A
19
ATOM
C
' CA '
PRO
A
19
?
4.792
9.427
11.112
1.00
12.97
?
A
19
ATOM
C
' C '
PRO
A
19
?
4.905
10.856
10.596
1.00
13.57
?
A
19
ATOM
O
' O '
PRO
A
19
?
4.432
11.779
11.259
1.00
15.42
?
A
19
ATOM
C
' CB '
PRO
A
19
?
3.299
8.972
11.035
1.00
13.95
?
A
19
ATOM
C
' CG '
PRO
A
19
?
3.238
7.947
12.157
1.00
12.13
?
A
19
ATOM
C
' CD '
PRO
A
19
?
4.016
8.660
13.303
1.00
12.79
?
A
19
ATOM
N
' N '
GLY
A
20
?
5.562
10.984
9.445
1.00
16.34
?
A
20
ATOM
C
' CA '
GLY
A
20
?
5.750
12.275
8.808
1.00
16.51
?
A
20
ATOM
C
' C '
GLY
A
20
?
6.941
13.037
9.356
1.00
17.77
?
A
20
ATOM
O
' O '
GLY
A
20
?
7.178
14.175
8.904
1.00
19.15
?
A
20
ATOM
N
' N '
GLU
A
21
?
7.616
12.470
10.369
1.00
16.80
?
A
21
ATOM
C
' CA '
GLU
A
21
?
8.802
13.255
10.857
1.00
15.09
?
A
21
ATOM
C
' C '
GLU
A
21
?
9.948
12.836
9.967
1.00
16.54
?
A
21
ATOM
O
' O '
GLU
A
21
?
10.308
11.633
9.843
1.00
17.81
?
A
21
ATOM
C
' CB '
GLU
A
21
?
9.082
12.888
12.297
1.00
13.14
?
A
21
ATOM
C
' CG '
GLU
A
21
?
10.401
13.525
12.870
1.00
13.60
?
A
21
ATOM
C
' CD '
GLU
A
21
?
10.448
15.017
12.651
1.00
15.80
?
A
21
ATOM
O
' OE1'
GLU
A
21
?
11.067
15.533
11.722
1.00
16.91
?
A
21
ATOM
O
' OE2'
GLU
A
21
?
9.705
15.659
13.448
1.00
17.65
?
A
21
ATOM
N
' N '
SER
A
22
?
10.599
13.780
9.281
1.00
15.18
?
A
22
ATOM
C
' CA '
SER
A
22
?
11.699
13.387
8.379
1.00
15.02
?
A
22
ATOM
C
' C '
SER
A
22
?
13.100
13.741
8.902
1.00
12.77
?
A
22
ATOM
O
' O '
SER
A
22
?
14.050
13.270
8.255
1.00
13.54
?
A
22
ATOM
C
' CB '
SER
A
22
?
11.491
14.080
7.014
1.00
17.96
?
A
22
ATOM
O
' OG '
SER
A
22
?
11.703
15.508
7.201
1.00
22.59
?
A
22
ATOM
N
' N '
SER
A
23
?
13.165
14.435
10.030
1.00
11.36
?
A
23
ATOM
C
' CA '
SER
A
23
?
14.488
14.855
10.510
1.00
10.17
?
A
23
ATOM
C
' C '
SER
A
23
?
14.992
14.129
11.730
1.00
9.19
?
A
23
ATOM
O
' O '
SER
A
23
?
14.176
13.541
12.460
1.00
8.96
?
A
23
ATOM
C
' CB '
SER
A
23
?
14.365
16.351
10.953
1.00
11.72
?
A
23
ATOM
O
' OG '
SER
A
23
?
14.034
17.134
9.833
1.00
17.36
?
A
23
ATOM
N
' N '
CYS
A
24
?
16.292
14.250
11.942
1.00
8.01
?
A
24
ATOM
C
' CA '
CYS
A
24
?
16.962
13.757
13.147
1.00
6.86
?
A
24
ATOM
C
' C '
CYS
A
24
?
17.805
14.956
13.642
1.00
8.67
?
A
24
ATOM
O
' O '
CYS
A
24
?
18.154
15.805
12.769
1.00
9.40
?
A
24
ATOM
C
' CB '
CYS
A
24
?
17.927
12.608
12.880
1.00
6.90
?
A
24
ATOM
S
' SG '
CYS
A
24
?
17.196
11.134
12.179
1.00
8.11
?
A
24
ATOM
N
' N '
TYR
A
25
?
18.202
14.904
14.880
1.00
7.59
?
A
25
ATOM
C
' CA '
TYR
A
25
?
19.053
16.033
15.347
1.00
8.44
?
A
25
ATOM
C
' C '
TYR
A
25
?
20.191
15.486
16.207
1.00
8.32
?
A
25
ATOM
O
' O '
TYR
A
25
?
20.183
14.370
16.755
1.00
7.62
?
A
25
ATOM
C
' CB '
TYR
A
25
?
18.241
17.101
16.113
1.00
9.01
?
A
25
ATOM
C
' CG '
TYR
A
25
?
17.764
16.611
17.455
1.00
7.33
?
A
25
ATOM
C
' CD1'
TYR
A
25
?
18.589
16.730
18.586
1.00
9.53
?
A
25
ATOM
C
' CD2'
TYR
A
25
?
16.501
15.984
17.631
1.00
8.76
?
A
25
ATOM
C
' CE1'
TYR
A
25
?
18.176
16.278
19.844
1.00
9.89
?
A
25
ATOM
C
' CE2'
TYR
A
25
?
16.112
15.575
18.878
1.00
9.03
?
A
25
ATOM
C
' CZ '
TYR
A
25
?
16.911
15.699
20.009
1.00
11.57
?
A
25
ATOM
O
' OH '
TYR
A
25
?
16.487
15.317
21.245
1.00
13.66
?
A
25
ATOM
N
' N '
HIS
A
26
?
21.156
16.369
16.283
1.00
9.57
?
A
26
ATOM
C
' CA '
HIS
A
26
?
22.382
16.199
17.089
1.00
9.17
?
A
26
ATOM
C
' C '
HIS
A
26
?
22.585
17.556
17.762
1.00
9.48
?
A
26
ATOM
O
' O '
HIS
A
26
?
22.715
18.611
17.105
1.00
10.43
?
A
26
ATOM
C
' CB '
HIS
A
26
?
23.571
15.762
16.222
1.00
13.17
?
A
26
ATOM
C
' CG '
HIS
A
26
?
24.931
15.862
16.863
1.00
15.07
?
A
26
ATOM
N
' ND1'
HIS
A
26
?
25.853
14.845
16.853
1.00
16.16
?
A
26
ATOM
C
' CD2'
HIS
A
26
?
25.467
16.931
17.504
1.00
14.50
?
A
26
ATOM
C
' CE1'
HIS
A
26
?
26.954
15.314
17.478
1.00
14.43
?
A
26
ATOM
N
' NE2'
HIS
A
26
?
26.722
16.534
17.869
1.00
15.24
?
A
26
ATOM
N
' N '
LYS
A
27
?
22.514
17.622
19.070
1.00
10.49
?
A
27
ATOM
C
' CA '
LYS
A
27
?
22.650
18.855
19.862
1.00
11.03
?
A
27
ATOM
C
' C '
LYS
A
27
?
23.874
18.691
20.778
1.00
11.80
?
A
27
ATOM
O
' O '
LYS
A
27
?
24.026
17.607
21.348
1.00
12.92
?
A
27
ATOM
C
' CB '
LYS
A
27
?
21.474
18.955
20.866
1.00
16.44
?
A
27
ATOM
C
' CG '
LYS
A
27
?
20.315
19.787
20.422
1.00
25.93
?
A
27
ATOM
C
' CD '
LYS
A
27
?
19.500
20.353
21.588
1.00
29.44
?
A
27
ATOM
C
' CE '
LYS
A
27
?
18.689
19.310
22.308
1.00
31.79
?
A
27
ATOM
N
' NZ '
LYS
A
27
?
17.343
19.866
22.653
1.00
32.99
?
A
27
ATOM
N
' N '
GLN
A
28
?
24.596
19.771
20.893
1.00
11.37
?
A
28
ATOM
C
' CA '
GLN
A
28
?
25.796
19.621
21.748
1.00
11.23
?
A
28
ATOM
C
' C '
GLN
A
28
?
25.942
20.893
22.574
1.00
9.88
?
A
28
ATOM
O
' O '
GLN
A
28
?
25.744
21.995
22.016
1.00
11.56
?
A
28
ATOM
C
' CB '
GLN
A
28
?
26.992
19.548
20.795
1.00
14.24
?
A
28
ATOM
C
' CG '
GLN
A
28
?
28.330
19.362
21.483
1.00
17.58
?
A
28
ATOM
C
' CD '
GLN
A
28
?
29.458
19.176
20.479
1.00
22.62
?
A
28
ATOM
O
' OE1'
GLN
A
28
?
30.462
19.848
20.662
1.00
27.19
?
A
28
ATOM
N
' NE2'
GLN
A
28
?
29.276
18.343
19.450
1.00
24.95
?
A
28
ATOM
N
' N '
TRP
A
29
?
26.351
20.695
23.797
1.00
9.19
?
A
29
ATOM
C
' CA '
TRP
A
29
?
26.571
21.916
24.635
1.00
10.23
?
A
29
ATOM
C
' C '
TRP
A
29
?
27.469
21.433
25.782
1.00
10.51
?
A
29
ATOM
O
' O '
TRP
A
29
?
27.728
20.244
25.932
1.00
11.98
?
A
29
ATOM
C
' CB '
TRP
A
29
?
25.289
22.513
25.145
1.00
13.48
?
A
29
ATOM
C
' CG '
TRP
A
29
?
24.609
21.758
26.224
1.00
13.73
?
A
29
ATOM
C
' CD1'
TRP
A
29
?
24.725
21.921
27.585
1.00
15.22
?
A
29
ATOM
C
' CD2'
TRP
A
29
?
23.650
20.715
26.042
1.00
13.55
?
A
29
ATOM
N
' NE1'
TRP
A
29
?
23.923
21.022
28.242
1.00
15.44
?
A
29
ATOM
C
' CE2'
TRP
A
29
?
23.240
20.270
27.318
1.00
14.52
?
A
29
ATOM
C
' CE3'
TRP
A
29
?
23.099
20.150
24.885
1.00
13.49
?
A
29
ATOM
C
' CZ2'
TRP
A
29
?
22.303
19.278
27.535
1.00
15.98
?
A
29
ATOM
C
' CZ3'
TRP
A
29
?
22.172
19.149
25.106
1.00
16.88
?
A
29
ATOM
C
' CH2'
TRP
A
29
?
21.798
18.728
26.358
1.00
15.61
?
A
29
ATOM
N
' N '
SER
A
30
?
27.910
22.381
26.528
1.00
9.37
?
A
30
ATOM
C
' CA '
SER
A
30
?
28.742
22.179
27.728
1.00
10.57
?
A
30
ATOM
C
' C '
SER
A
30
?
28.054
22.667
28.976
1.00
11.49
?
A
30
ATOM
O
' O '
SER
A
30
?
27.286
23.638
28.965
1.00
15.12
?
A
30
ATOM
C
' CB '
SER
A
30
?
30.055
22.970
27.551
1.00
16.55
?
A
30
ATOM
O
' OG '
SER
A
30
?
30.834
22.327
26.547
1.00
20.42
?
A
30
ATOM
N
' N '
ASP
A
31
?
28.270
21.944
30.063
1.00
11.60
?
A
31
ATOM
C
' CA '
ASP
A
31
?
27.784
22.386
31.365
1.00
11.57
?
A
31
ATOM
C
' C '
ASP
A
31
?
29.033
22.116
32.270
1.00
9.87
?
A
31
ATOM
O
' O '
ASP
A
31
?
30.074
21.687
31.787
1.00
9.62
?
A
31
ATOM
C
' CB '
ASP
A
31
?
26.464
21.890
31.817
1.00
14.69
?
A
31
ATOM
C
' CG '
ASP
A
31
?
26.429
20.429
32.141
1.00
13.94
?
A
31
ATOM
O
' OD1'
ASP
A
31
?
27.422
19.735
32.318
1.00
13.53
?
A
31
ATOM
O
' OD2'
ASP
A
31
?
25.297
19.902
32.267
1.00
20.88
?
A
31
ATOM
N
' N '
PHE
A
32
?
28.798
22.375
33.550
1.00
10.54
?
A
32
ATOM
C
' CA '
PHE
A
32
?
29.905
22.152
34.510
1.00
12.74
?
A
32
ATOM
C
' C '
PHE
A
32
?
30.326
20.683
34.546
1.00
12.64
?
A
32
ATOM
O
' O '
PHE
A
32
?
31.434
20.462
35.037
1.00
14.90
?
A
32
ATOM
C
' CB '
PHE
A
32
?
29.519
22.729
35.883
1.00
13.92
?
A
32
ATOM
C
' CG '
PHE
A
32
?
28.407
21.998
36.584
1.00
12.81
?
A
32
ATOM
C
' CD1'
PHE
A
32
?
27.081
22.403
36.358
1.00
16.01
?
A
32
ATOM
C
' CD2'
PHE
A
32
?
28.661
20.913
37.412
1.00
14.73
?
A
32
ATOM
C
' CE1'
PHE
A
32
?
26.025
21.797
36.998
1.00
15.67
?
A
32
ATOM
C
' CE2'
PHE
A
32
?
27.574
20.264
38.045
1.00
17.15
?
A
32
ATOM
C
' CZ '
PHE
A
32
?
26.290
20.690
37.811
1.00
14.30
?
A
32
ATOM
N
' N '
ARG
A
33
?
29.551
19.725
34.086
1.00
12.30
?
A
33
ATOM
C
' CA '
ARG
A
33
?
29.917
18.296
34.153
1.00
12.20
?
A
33
ATOM
C
' C '
ARG
A
33
?
30.767
17.852
32.966
1.00
11.16
?
A
33
ATOM
O
' O '
ARG
A
33
?
31.542
16.872
33.076
1.00
13.79
?
A
33
ATOM
C
' CB '
ARG
A
33
?
28.688
17.407
34.200
1.00
13.11
?
A
33
ATOM
C
' CG '
ARG
A
33
A
27.803
17.577
35.457
0.50
11.82
1
A
33
ATOM
C
' CG '
ARG
A
33
B
27.548
17.740
35.165
0.50
15.06
1
A
33
ATOM
C
' CD '
ARG
A
33
A
26.615
16.693
35.324
0.50
14.41
1
A
33
ATOM
C
' CD '
ARG
A
33
B
26.404
16.823
34.793
0.50
17.54
1
A
33
ATOM
N
' NE '
ARG
A
33
A
25.900
16.833
34.063
0.50
15.77
1
A
33
ATOM
N
' NE '
ARG
A
33
B
26.643
15.483
35.257
0.50
19.62
1
A
33
ATOM
C
' CZ '
ARG
A
33
A
25.228
15.890
33.415
0.50
13.92
1
A
33
ATOM
C
' CZ '
ARG
A
33
B
26.258
14.294
34.850
0.50
18.88
1
A
33
ATOM
N
' NH1'
ARG
A
33
A
24.583
16.145
32.267
0.50
15.61
1
A
33
ATOM
N
' NH1'
ARG
A
33
B
26.641
13.227
35.571
0.50
18.62
1
A
33
ATOM
N
' NH2'
ARG
A
33
A
25.198
14.639
33.828
0.50
14.36
1
A
33
ATOM
N
' NH2'
ARG
A
33
B
25.509
14.102
33.762
0.50
18.90
1
A
33
ATOM
N
' N '
GLY
A
34
?
30.602
18.522
31.848
1.00
8.79
?
A
34
ATOM
C
' CA '
GLY
A
34
?
31.385
18.107
30.649
1.00
10.04
?
A
34
ATOM
C
' C '
GLY
A
34
?
30.670
18.507
29.402
1.00
9.22
?
A
34
ATOM
O
' O '
GLY
A
34
?
29.801
19.410
29.383
1.00
9.73
?
A
34
ATOM
N
' N '
THR
A
35
?
31.010
17.834
28.317
1.00
7.83
?
A
35
ATOM
C
' CA '
THR
A
35
?
30.436
18.141
26.985
1.00
8.43
?
A
35
ATOM
C
' C '
THR
A
35
?
29.363
17.084
26.718
1.00
8.77
?
A
35
ATOM
O
' O '
THR
A
35
?
29.636
15.865
26.880
1.00
10.63
?
A
35
ATOM
C
' CB '
THR
A
35
?
31.532
18.006
25.880
1.00
11.22
?
A
35
ATOM
O
' OG1'
THR
A
35
?
32.551
18.984
26.155
1.00
13.74
?
A
35
ATOM
C
' CG2'
THR
A
35
?
30.892
18.277
24.518
1.00
10.63
?
A
35
ATOM
N
' N '
ILE
A
36
?
28.172
17.558
26.399
1.00
8.76
?
A
36
ATOM
C
' CA '
ILE
A
36
?
27.073
16.644
26.168
1.00
11.24
?
A
36
ATOM
C
' C '
ILE
A
36
?
26.614
16.663
24.726
1.00
11.09
?
A
36
ATOM
O
' O '
ILE
A
36
?
26.509
17.744
24.126
1.00
9.55
?
A
36
ATOM
C
' CB '
ILE
A
36
?
25.835
17.102
27.068
1.00
14.20
?
A
36
ATOM
C
' CG1'
ILE
A
36
?
26.243
17.044
28.558
1.00
17.02
?
A
36
ATOM
C
' CG2'
ILE
A
36
?
24.574
16.249
26.726
1.00
18.24
?
A
36
ATOM
C
' CD1'
ILE
A
36
?
25.841
18.319
29.369
1.00
20.55
?
A
36
ATOM
N
' N '
ILE
A
37
?
26.306
15.479
24.211
1.00
10.29
?
A
37
ATOM
C
' CA '
ILE
A
37
?
25.687
15.365
22.884
1.00
9.06
?
A
37
ATOM
C
' C '
ILE
A
37
?
24.351
14.620
23.108
1.00
10.10
?
A
37
ATOM
O
' O '
ILE
A
37
?
24.419
13.525
23.684
1.00
10.26
?
A
37
ATOM
C
' CB '
ILE
A
37
?
26.559
14.577
21.853
1.00
11.77
?
A
37
ATOM
C
' CG1'
ILE
A
37
?
27.819
15.452
21.596
1.00
10.62
?
A
37
ATOM
C
' CG2'
ILE
A
37
?
25.715
14.246
20.586
1.00
14.51
?
A
37
ATOM
C
' CD1'
ILE
A
37
?
28.917
14.599
20.912
1.00
16.47
?
A
37
ATOM
N
' N '
GLU
A
38
?
23.331
15.247
22.624
1.00
8.98
?
A
38
ATOM
C
' CA '
GLU
A
38
?
21.978
14.580
22.703
1.00
9.46
?
A
38
ATOM
C
' C '
GLU
A
38
?
21.502
14.364
21.272
1.00
9.59
?
A
38
ATOM
O
' O '
GLU
A
38
?
21.785
15.228
20.426
1.00
9.43
?
A
38
ATOM
C
' CB '
GLU
A
38
?
21.021
15.479
23.505
1.00
12.89
?
A
38
ATOM
C
' CG '
GLU
A
38
A
19.562
15.105
23.639
0.50
13.24
1
A
38
ATOM
C
' CG '
GLU
A
38
B
21.344
15.277
25.022
0.50
13.13
1
A
38
ATOM
C
' CD '
GLU
A
38
A
18.583
16.202
23.907
0.50
12.40
1
A
38
ATOM
C
' CD '
GLU
A
38
B
20.288
15.728
25.972
0.50
15.37
1
A
38
ATOM
O
' OE1'
GLU
A
38
A
17.689
16.584
23.183
0.50
12.70
1
A
38
ATOM
O
' OE1'
GLU
A
38
B
20.364
15.568
27.179
0.50
16.64
1
A
38
ATOM
O
' OE2'
GLU
A
38
A
18.780
16.808
24.988
0.50
12.79
1
A
38
ATOM
O
' OE2'
GLU
A
38
B
19.319
16.277
25.403
0.50
14.38
1
A
38
ATOM
N
' N '
ARG
A
39
?
20.839
13.233
21.054
1.00
7.76
?
A
39
ATOM
C
' CA '
ARG
A
39
?
20.378
12.910
19.659
1.00
6.77
?
A
39
ATOM
C
' C '
ARG
A
39
?
18.933
12.464
19.702
1.00
7.28
?
A
39
ATOM
O
' O '
ARG
A
39
?
18.518
11.848
20.723
1.00
8.64
?
A
39
ATOM
C
' CB '
ARG
A
39
?
21.188
11.713
19.163
1.00
5.59
?
A
39
ATOM
C
' CG '
ARG
A
39
?
22.673
11.945
18.947
1.00
7.87
?
A
39
ATOM
C
' CD '
ARG
A
39
?
23.405
10.758
18.447
1.00
8.14
?
A
39
ATOM
N
' NE '
ARG
A
39
?
24.853
10.994
18.276
1.00
10.09
?
A
39
ATOM
C
' CZ '
ARG
A
39
?
25.760
10.809
19.238
1.00
13.02
?
A
39
ATOM
N
' NH1'
ARG
A
39
?
27.044
10.993
18.876
1.00
15.33
?
A
39
ATOM
N
' NH2'
ARG
A
39
?
25.486
10.490
20.507
1.00
11.81
?
A
39
ATOM
N
' N '
GLY
A
40
?
18.177
12.723
18.647
1.00
5.69
?
A
40
ATOM
C
' CA '
GLY
A
40
?
16.788
12.222
18.677
1.00
7.41
?
A
40
ATOM
C
' C '
GLY
A
40
?
16.108
12.526
17.351
1.00
8.40
?
A
40
ATOM
O
' O '
GLY
A
40
?
16.742
12.854
16.352
1.00
8.80
?
A
40
ATOM
N
' N '
CYS
A
41
?
14.780
12.350
17.430
1.00
6.63
?
A
41
ATOM
C
' CA '
CYS
A
41
?
13.954
12.604
16.223
1.00
9.52
?
A
41
ATOM
C
' C '
CYS
A
41
?
13.576
14.074
16.162
1.00
10.01
?
A
41
ATOM
O
' O '
CYS
A
41
?
13.366
14.686
17.233
1.00
11.32
?
A
41
ATOM
C
' CB '
CYS
A
41
?
12.644
11.806
16.346
1.00
8.50
?
A
41
ATOM
S
' SG '
CYS
A
41
?
12.871
10.017
16.070
1.00
8.87
?
A
41
ATOM
N
' N '
GLY
A
42
?
13.372
14.589
14.973
1.00
11.01
?
A
42
ATOM
C
' CA '
GLY
A
42
?
12.931
15.963
14.751
1.00
10.83
?
A
42
ATOM
C
' C '
GLY
A
42
?
14.123
16.916
14.609
1.00
12.02
?
A
42
ATOM
O
' O '
GLY
A
42
?
15.280
16.564
14.512
1.00
11.93
?
A
42
ATOM
N
' N '
CYS
A
43
?
13.716
18.175
14.526
1.00
13.78
?
A
43
ATOM
C
' CA '
CYS
A
43
?
14.673
19.282
14.431
1.00
15.32
?
A
43
ATOM
C
' C '
CYS
A
43
?
14.149
20.350
15.361
1.00
17.24
?
A
43
ATOM
O
' O '
CYS
A
43
?
13.335
21.138
14.882
1.00
18.80
?
A
43
ATOM
C
' CB '
CYS
A
43
?
14.804
19.795
12.988
1.00
14.24
?
A
43
ATOM
S
' SG '
CYS
A
43
?
16.131
21.036
12.977
1.00
16.66
?
A
43
ATOM
N
' N '
PRO
A
44
A
14.623
20.358
16.588
0.60
18.18
1
A
44
ATOM
N
' N '
PRO
A
44
B
14.556
20.330
16.609
0.40
18.37
1
A
44
ATOM
C
' CA '
PRO
A
44
A
14.145
21.338
17.563
0.60
19.67
1
A
44
ATOM
C
' CA '
PRO
A
44
B
14.060
21.322
17.579
0.40
19.57
1
A
44
ATOM
C
' C '
PRO
A
44
A
14.565
22.761
17.269
0.60
20.20
1
A
44
ATOM
C
' C '
PRO
A
44
B
14.557
22.716
17.256
0.40
20.10
1
A
44
ATOM
O
' O '
PRO
A
44
A
15.287
23.078
16.316
0.60
20.62
1
A
44
ATOM
O
' O '
PRO
A
44
B
15.536
22.877
16.507
0.40
21.30
1
A
44
ATOM
C
' CB '
PRO
A
44
A
14.623
20.808
18.898
0.60
20.21
1
A
44
ATOM
C
' CB '
PRO
A
44
B
14.527
20.775
18.917
0.40
20.02
1
A
44
ATOM
C
' CG '
PRO
A
44
A
15.641
19.760
18.618
0.60
18.82
1
A
44
ATOM
C
' CG '
PRO
A
44
B
15.746
19.961
18.591
0.40
19.17
1
A
44
ATOM
C
' CD '
PRO
A
44
A
15.603
19.424
17.159
0.60
18.17
1
A
44
ATOM
C
' CD '
PRO
A
44
B
15.514
19.389
17.210
0.40
18.53
1
A
44
ATOM
N
' N '
THR
A
45
A
14.034
23.688
18.063
0.60
22.16
1
A
45
ATOM
N
' N '
THR
A
45
B
13.877
23.741
17.771
0.40
20.94
1
A
45
ATOM
C
' CA '
THR
A
45
A
14.341
25.120
17.929
0.60
22.38
1
A
45
ATOM
C
' CA '
THR
A
45
B
14.291
25.128
17.517
0.40
21.46
1
A
45
ATOM
C
' C '
THR
A
45
A
15.808
25.413
18.269
0.60
23.67
1
A
45
ATOM
C
' C '
THR
A
45
B
15.518
25.482
18.373
0.40
22.52
1
A
45
ATOM
O
' O '
THR
A
45
A
16.330
24.787
19.215
0.60
23.14
1
A
45
ATOM
O
' O '
THR
A
45
B
15.706
24.947
19.477
0.40
21.19
1
A
45
ATOM
C
' CB '
THR
A
45
A
13.416
25.962
18.924
0.60
24.04
1
A
45
ATOM
C
' CB '
THR
A
45
B
13.151
26.192
17.774
0.40
22.70
1
A
45
ATOM
O
' OG1'
THR
A
45
A
12.059
25.446
18.797
0.60
24.60
1
A
45
ATOM
O
' OG1'
THR
A
45
B
12.008
25.792
16.971
0.40
23.44
1
A
45
ATOM
C
' CG2'
THR
A
45
A
13.499
27.469
18.684
0.60
22.22
1
A
45
ATOM
C
' CG2'
THR
A
45
B
13.573
27.639
17.484
0.40
22.50
1
A
45
ATOM
N
' N '
VAL
A
46
A
16.440
26.342
17.536
0.60
24.11
1
A
46
ATOM
N
' N '
VAL
A
46
B
16.289
26.399
17.806
0.40
23.35
1
A
46
ATOM
C
' CA '
VAL
A
46
A
17.837
26.703
17.881
0.60
25.45
1
A
46
ATOM
C
' CA '
VAL
A
46
B
17.502
26.958
18.394
0.40
24.01
1
A
46
ATOM
C
' C '
VAL
A
46
A
17.711
27.569
19.158
0.60
24.71
1
A
46
ATOM
C
' C '
VAL
A
46
B
17.172
27.618
19.748
0.40
23.79
1
A
46
ATOM
O
' O '
VAL
A
46
A
16.871
28.493
19.217
0.60
25.04
1
A
46
ATOM
O
' O '
VAL
A
46
B
16.159
28.304
19.902
0.40
22.90
1
A
46
ATOM
C
' CB '
VAL
A
46
A
18.667
27.296
16.749
0.60
26.99
1
A
46
ATOM
C
' CB '
VAL
A
46
B
18.169
27.942
17.407
0.40
26.38
1
A
46
ATOM
C
' CG1'
VAL
A
46
A
19.161
26.266
15.724
0.60
28.74
1
A
46
ATOM
C
' CG1'
VAL
A
46
B
17.195
29.012
16.899
0.40
27.44
1
A
46
ATOM
C
' CG2'
VAL
A
46
A
18.025
28.453
16.017
0.60
27.92
1
A
46
ATOM
C
' CG2'
VAL
A
46
B
19.415
28.599
17.988
0.40
26.32
1
A
46
ATOM
N
' N '
LYS
A
47
A
18.460
27.164
20.165
0.60
23.80
1
A
47
ATOM
N
' N '
LYS
A
47
B
18.076
27.384
20.661
0.40
22.93
1
A
47
ATOM
C
' CA '
LYS
A
47
A
18.524
27.782
21.489
0.60
21.96
1
A
47
ATOM
C
' CA '
LYS
A
47
B
18.122
27.845
22.050
0.40
22.32
1
A
47
ATOM
C
' C '
LYS
A
47
A
19.919
28.446
21.606
0.60
20.71
1
A
47
ATOM
C
' C '
LYS
A
47
B
19.576
28.227
22.342
0.40
20.27
1
A
47
ATOM
O
' O '
LYS
A
47
A
20.880
27.976
21.020
0.60
19.65
1
A
47
ATOM
O
' O '
LYS
A
47
B
20.492
27.434
22.122
0.40
17.71
1
A
47
ATOM
C
' CB '
LYS
A
47
A
18.390
26.874
22.686
0.60
24.28
1
A
47
ATOM
C
' CB '
LYS
A
47
B
17.624
26.731
22.977
0.40
25.91
1
A
47
ATOM
C
' CG '
LYS
A
47
A
17.050
26.526
23.271
0.60
25.18
1
A
47
ATOM
C
' CG '
LYS
A
47
B
16.508
25.945
22.256
0.40
30.73
1
A
47
ATOM
C
' CD '
LYS
A
47
A
17.172
25.608
24.484
0.60
26.51
1
A
47
ATOM
C
' CD '
LYS
A
47
B
15.932
24.808
23.071
0.40
34.89
1
A
47
ATOM
C
' CE '
LYS
A
47
A
16.009
24.683
24.715
0.60
25.98
1
A
47
ATOM
C
' CE '
LYS
A
47
B
14.417
24.708
22.898
0.40
36.06
1
A
47
ATOM
N
' NZ '
LYS
A
47
A
14.663
25.319
24.688
0.60
26.34
1
A
47
ATOM
N
' NZ '
LYS
A
47
B
13.870
23.597
23.721
0.40
37.64
1
A
47
ATOM
N
' N '
PRO
A
48
A
19.941
29.523
22.374
0.60
19.86
1
A
48
ATOM
N
' N '
PRO
A
48
B
19.774
29.473
22.736
0.40
19.12
1
A
48
ATOM
C
' CA '
PRO
A
48
A
21.205
30.247
22.563
0.60
18.77
1
A
48
ATOM
C
' CA '
PRO
A
48
B
21.095
30.030
23.006
0.40
18.53
1
A
48
ATOM
C
' C '
PRO
A
48
A
22.233
29.385
23.259
0.60
18.46
1
A
48
ATOM
C
' C '
PRO
A
48
B
22.066
29.122
23.731
0.40
18.14
1
A
48
ATOM
O
' O '
PRO
A
48
A
21.970
28.688
24.259
0.60
19.71
1
A
48
ATOM
O
' O '
PRO
A
48
B
21.740
28.464
24.743
0.40
18.67
1
A
48
ATOM
C
' CB '
PRO
A
48
A
20.808
31.483
23.372
0.60
19.57
1
A
48
ATOM
C
' CB '
PRO
A
48
B
20.808
31.303
23.824
0.40
18.80
1
A
48
ATOM
C
' CG '
PRO
A
48
A
19.319
31.547
23.340
0.60
18.21
1
A
48
ATOM
C
' CG '
PRO
A
48
B
19.336
31.339
24.060
0.40
18.13
1
A
48
ATOM
C
' CD '
PRO
A
48
A
18.821
30.127
23.122
0.60
19.62
1
A
48
ATOM
C
' CD '
PRO
A
48
B
18.710
30.483
22.967
0.40
19.06
1
A
48
ATOM
N
' N '
GLY
A
49
A
23.457
29.398
22.736
0.60
18.42
1
A
49
ATOM
N
' N '
GLY
A
49
B
23.298
29.112
23.240
0.40
17.66
1
A
49
ATOM
C
' CA '
GLY
A
49
A
24.563
28.645
23.314
0.60
18.38
1
A
49
ATOM
C
' CA '
GLY
A
49
B
24.423
28.369
23.776
0.40
17.48
1
A
49
ATOM
C
' C '
GLY
A
49
A
24.639
27.195
22.894
0.60
18.43
1
A
49
ATOM
C
' C '
GLY
A
49
B
24.436
26.887
23.507
0.40
17.41
1
A
49
ATOM
O
' O '
GLY
A
49
A
25.736
26.621
23.025
0.60
18.32
1
A
49
ATOM
O
' O '
GLY
A
49
B
25.124
26.100
24.191
0.40
18.79
1
A
49
ATOM
N
' N '
ILE
A
50
A
23.543
26.594
22.472
0.60
17.47
1
A
50
ATOM
N
' N '
ILE
A
50
B
23.689
26.462
22.502
0.40
16.55
1
A
50
ATOM
C
' CA '
ILE
A
50
A
23.476
25.206
22.016
0.60
16.49
1
A
50
ATOM
C
' CA '
ILE
A
50
B
23.667
25.022
22.154
0.40
15.23
1
A
50
ATOM
C
' C '
ILE
A
50
A
23.877
25.088
20.548
0.60
14.02
1
A
50
ATOM
C
' C '
ILE
A
50
B
23.779
24.889
20.646
0.40
13.34
1
A
50
ATOM
O
' O '
ILE
A
50
A
23.541
25.924
19.691
0.60
15.04
1
A
50
ATOM
O
' O '
ILE
A
50
B
23.043
25.518
19.868
0.40
13.50
1
A
50
ATOM
C
' CB '
ILE
A
50
A
22.030
24.615
22.241
0.60
16.82
1
A
50
ATOM
C
' CB '
ILE
A
50
B
22.457
24.336
22.857
0.40
15.41
1
A
50
ATOM
C
' CG1'
ILE
A
50
A
21.620
24.912
23.701
0.60
18.66
1
A
50
ATOM
C
' CG1'
ILE
A
50
B
22.602
24.549
24.396
0.40
14.15
1
A
50
ATOM
C
' CG2'
ILE
A
50
A
21.947
23.118
21.830
0.60
15.00
1
A
50
ATOM
C
' CG2'
ILE
A
50
B
22.290
22.848
22.492
0.40
15.14
1
A
50
ATOM
C
' CD1'
ILE
A
50
A
21.050
23.704
24.479
0.60
23.30
1
A
50
ATOM
C
' CD1'
ILE
A
50
B
21.723
23.651
25.293
0.40
15.52
1
A
50
ATOM
N
' N '
LYS
A
51
A
24.612
24.051
20.223
0.60
12.43
1
A
51
ATOM
N
' N '
LYS
A
51
B
24.737
24.093
20.220
0.40
12.31
1
A
51
ATOM
C
' CA '
LYS
A
51
A
25.021
23.821
18.815
0.60
11.85
1
A
51
ATOM
C
' CA '
LYS
A
51
B
24.992
23.839
18.794
0.40
11.96
1
A
51
ATOM
C
' C '
LYS
A
51
A
24.039
22.773
18.307
0.60
12.11
1
A
51
ATOM
C
' C '
LYS
A
51
B
24.015
22.769
18.336
0.40
12.26
1
A
51
ATOM
O
' O '
LYS
A
51
A
23.935
21.717
18.985
0.60
12.67
1
A
51
ATOM
O
' O '
LYS
A
51
B
23.906
21.721
19.010
0.40
12.58
1
A
51
ATOM
C
' CB '
LYS
A
51
A
26.437
23.333
18.730
0.60
10.65
1
A
51
ATOM
C
' CB '
LYS
A
51
B
26.420
23.388
18.571
0.40
11.13
1
A
51
ATOM
C
' CG '
LYS
A
51
A
27.475
24.388
19.210
0.60
13.93
1
A
51
ATOM
C
' CG '
LYS
A
51
B
27.426
24.535
18.841
0.40
12.42
1
A
51
ATOM
C
' CD '
LYS
A
51
A
28.811
23.664
19.318
0.60
16.03
1
A
51
ATOM
C
' CD '
LYS
A
51
B
28.823
24.072
18.462
0.40
14.87
1
A
51
ATOM
C
' CE '
LYS
A
51
A
29.751
24.208
20.337
0.60
19.09
1
A
51
ATOM
C
' CE '
LYS
A
51
B
29.424
23.140
19.502
0.40
14.64
1
A
51
ATOM
N
' NZ '
LYS
A
51
A
31.164
23.906
19.984
0.60
22.13
1
A
51
ATOM
N
' NZ '
LYS
A
51
B
30.689
22.571
18.935
0.40
15.56
1
A
51
ATOM
N
' N '
LEU
A
52
?
23.313
23.049
17.267
1.00
11.98
?
A
52
ATOM
C
' CA '
LEU
A
52
?
22.302
22.079
16.750
1.00
12.45
?
A
52
ATOM
C
' C '
LEU
A
52
?
22.571
21.808
15.296
1.00
12.80
?
A
52
ATOM
O
' O '
LEU
A
52
?
22.904
22.749
14.525
1.00
14.85
?
A
52
ATOM
C
' CB '
LEU
A
52
?
20.915
22.748
17.042
1.00
15.98
?
A
52
ATOM
C
' CG '
LEU
A
52
?
19.724
22.015
16.410
1.00
14.81
?
A
52
ATOM
C
' CD1'
LEU
A
52
?
19.430
20.713
17.119
1.00
14.83
?
A
52
ATOM
C
' CD2'
LEU
A
52
?
18.477
22.914
16.485
1.00
15.89
?
A
52
ATOM
N
' N '
SER
A
53
?
22.445
20.571
14.900
1.00
12.27
?
A
53
ATOM
C
' CA '
SER
A
53
?
22.615
20.082
13.539
1.00
13.02
?
A
53
ATOM
C
' C '
SER
A
53
?
21.422
19.160
13.238
1.00
13.89
?
A
53
ATOM
O
' O '
SER
A
53
?
21.203
18.199
14.011
1.00
13.84
?
A
53
ATOM
C
' CB '
SER
A
53
?
23.879
19.218
13.432
1.00
16.18
?
A
53
ATOM
O
' OG '
SER
A
53
?
24.077
18.728
12.137
1.00
20.00
?
A
53
ATOM
N
' N '
CYS
A
54
?
20.686
19.431
12.208
1.00
12.98
?
A
54
ATOM
C
' CA '
CYS
A
54
?
19.542
18.589
11.761
1.00
11.10
?
A
54
ATOM
C
' C '
CYS
A
54
?
19.928
18.017
10.405
1.00
12.11
?
A
54
ATOM
O
' O '
CYS
A
54
?
20.742
18.552
9.652
1.00
14.24
?
A
54
ATOM
C
' CB '
CYS
A
54
?
18.260
19.377
11.717
1.00
13.87
?
A
54
ATOM
S
' SG '
CYS
A
54
?
17.853
19.989
13.391
1.00
15.31
?
A
54
ATOM
N
' N '
CYS
A
55
?
19.386
16.826
10.143
1.00
10.53
?
A
55
ATOM
C
' CA '
CYS
A
55
?
19.648
16.090
8.895
1.00
11.17
?
A
55
ATOM
C
' C '
CYS
A
55
?
18.321
15.352
8.610
1.00
12.00
?
A
55
ATOM
O
' O '
CYS
A
55
?
17.491
15.223
9.536
1.00
12.62
?
A
55
ATOM
C
' CB '
CYS
A
55
?
20.899
15.234
8.975
1.00
11.83
?
A
55
ATOM
S
' SG '
CYS
A
55
?
20.871
14.113
10.416
1.00
11.80
?
A
55
ATOM
N
' N '
GLU
A
56
?
18.163
14.964
7.358
1.00
11.81
?
A
56
ATOM
C
' CA '
GLU
A
56
?
16.906
14.342
6.922
1.00
15.45
?
A
56
ATOM
C
' C '
GLU
A
56
?
17.117
13.040
6.219
1.00
15.90
?
A
56
ATOM
O
' O '
GLU
A
56
?
16.572
12.840
5.081
1.00
19.85
?
A
56
ATOM
C
' CB '
GLU
A
56
?
16.144
15.341
6.028
1.00
15.67
?
A
56
ATOM
C
' CG '
GLU
A
56
A
15.339
16.468
6.629
0.50
21.38
1
A
56
ATOM
C
' CG '
GLU
A
56
B
15.624
16.566
6.796
0.50
18.34
1
A
56
ATOM
C
' CD '
GLU
A
56
A
14.175
16.982
5.838
0.50
23.20
1
A
56
ATOM
C
' CD '
GLU
A
56
B
15.202
17.768
6.016
0.50
20.00
1
A
56
ATOM
O
' OE1'
GLU
A
56
A
13.442
16.292
5.152
0.50
26.60
1
A
56
ATOM
O
' OE1'
GLU
A
56
B
15.445
17.927
4.836
0.50
19.48
1
A
56
ATOM
O
' OE2'
GLU
A
56
A
13.971
18.214
5.929
0.50
26.79
1
A
56
ATOM
O
' OE2'
GLU
A
56
B
14.604
18.644
6.706
0.50
22.12
1
A
56
ATOM
N
' N '
SER
A
57
A
17.839
12.118
6.799
0.50
15.99
1
A
57
ATOM
N
' N '
SER
A
57
B
17.845
12.125
6.799
0.50
16.28
1
A
57
ATOM
C
' CA '
SER
A
57
A
18.061
10.775
6.206
0.50
14.79
1
A
57
ATOM
C
' CA '
SER
A
57
B
18.101
10.788
6.229
0.50
15.51
1
A
57
ATOM
C
' C '
SER
A
57
A
18.148
9.782
7.359
0.50
14.87
1
A
57
ATOM
C
' C '
SER
A
57
B
18.142
9.781
7.381
0.50
15.18
1
A
57
ATOM
O
' O '
SER
A
57
A
18.401
10.203
8.502
0.50
13.49
1
A
57
ATOM
O
' O '
SER
A
57
B
18.388
10.193
8.526
0.50
13.74
1
A
57
ATOM
C
' CB '
SER
A
57
A
19.237
10.722
5.267
0.50
16.85
1
A
57
ATOM
C
' CB '
SER
A
57
B
19.424
10.731
5.471
0.50
18.34
1
A
57
ATOM
O
' OG '
SER
A
57
A
20.503
10.633
5.862
0.50
17.66
1
A
57
ATOM
O
' OG '
SER
A
57
B
19.740
11.912
4.777
0.50
23.38
1
A
57
ATOM
N
' N '
GLU
A
58
?
18.005
8.501
7.076
1.00
14.09
?
A
58
ATOM
C
' CA '
GLU
A
58
?
18.056
7.432
8.076
1.00
15.09
?
A
58
ATOM
C
' C '
GLU
A
58
?
19.317
7.448
8.901
1.00
14.68
?
A
58
ATOM
O
' O '
GLU
A
58
?
20.422
7.527
8.316
1.00
16.80
?
A
58
ATOM
C
' CB '
GLU
A
58
?
17.967
6.002
7.471
1.00
16.74
?
A
58
ATOM
C
' CG '
GLU
A
58
?
16.602
5.613
6.901
1.00
19.06
?
A
58
ATOM
C
' CD '
GLU
A
58
?
15.558
5.565
8.006
1.00
17.65
?
A
58
ATOM
O
' OE1'
GLU
A
58
?
14.995
6.544
8.389
1.00
17.14
?
A
58
ATOM
O
' OE2'
GLU
A
58
?
15.356
4.417
8.434
1.00
19.85
?
A
58
ATOM
N
' N '
VAL
A
59
?
19.176
7.358
10.234
1.00
14.09
?
A
59
ATOM
C
' CA '
VAL
A
59
?
20.276
7.347
11.185
1.00
14.49
?
A
59
ATOM
C
' C '
VAL
A
59
?
21.391
8.314
10.754
1.00
13.27
?
A
59
ATOM
O
' O '
VAL
A
59
?
22.576
7.929
10.793
1.00
15.75
?
A
59
ATOM
C
' CB '
VAL
A
59
?
20.813
5.948
11.525
1.00
16.78
?
A
59
ATOM
C
' CG1'
VAL
A
59
?
19.884
5.193
12.486
1.00
17.29
?
A
59
ATOM
C
' CG2'
VAL
A
59
?
21.143
5.099
10.311
1.00
15.34
?
A
59
ATOM
N
' N '
CYS
A
60
?
21.021
9.511
10.407
1.00
11.43
?
A
60
ATOM
C
' CA '
CYS
A
60
?
22.021
10.503
9.930
1.00
12.68
?
A
60
ATOM
C
' C '
CYS
A
60
?
22.744
11.278
10.993
1.00
11.38
?
A
60
ATOM
O
' O '
CYS
A
60
?
23.747
11.976
10.742
1.00
12.68
?
A
60
ATOM
C
' CB '
CYS
A
60
?
21.288
11.467
8.945
1.00
12.19
?
A
60
ATOM
S
' SG '
CYS
A
60
?
19.950
12.442
9.708
1.00
11.34
?
A
60
ATOM
N
' N '
ASN
A
61
?
22.260
11.238
12.218
1.00
10.35
?
A
61
ATOM
C
' CA '
ASN
A
61
?
22.726
12.016
13.369
1.00
10.03
?
A
61
ATOM
C
' C '
ASN
A
61
?
23.750
11.399
14.270
1.00
12.84
?
A
61
ATOM
O
' O '
ASN
A
61
?
23.795
11.854
15.441
1.00
13.27
?
A
61
ATOM
C
' CB '
ASN
A
61
?
21.446
12.534
14.116
1.00
6.62
?
A
61
ATOM
C
' CG '
ASN
A
61
?
20.669
11.348
14.678
1.00
7.82
?
A
61
ATOM
O
' OD1'
ASN
A
61
?
20.669
10.257
14.168
1.00
9.40
?
A
61
ATOM
N
' ND2'
ASN
A
61
?
20.017
11.624
15.806
1.00
7.16
?
A
61
ATOM
N
' N '
ASN
A
62
A
24.676
10.595
13.796
0.50
15.36
1
A
62
ATOM
N
' N '
ASN
A
62
B
24.535
10.425
13.864
0.50
14.11
1
A
62
ATOM
C
' CA '
ASN
A
62
A
25.733
10.036
14.703
0.50
18.44
1
A
62
ATOM
C
' CA '
ASN
A
62
B
25.557
9.879
14.817
0.50
15.70
1
A
62
ATOM
C
' C '
ASN
A
62
A
26.547
11.216
15.253
0.50
18.79
1
A
62
ATOM
C
' C '
ASN
A
62
B
26.679
10.945
14.767
0.50
15.44
1
A
62
ATOM
O
' O '
ASN
A
62
A
26.704
12.146
14.420
0.50
17.72
1
A
62
ATOM
O
' O '
ASN
A
62
B
27.262
10.893
13.654
0.50
14.67
1
A
62
ATOM
C
' CB '
ASN
A
62
A
26.557
8.971
14.016
0.50
23.66
1
A
62
ATOM
C
' CB '
ASN
A
62
B
26.048
8.490
14.464
0.50
18.79
1
A
62
ATOM
C
' CG '
ASN
A
62
A
26.891
9.209
12.566
0.50
26.34
1
A
62
ATOM
C
' CG '
ASN
A
62
B
27.097
7.981
15.450
0.50
18.06
1
A
62
ATOM
O
' OD1'
ASN
A
62
A
26.697
8.311
11.723
0.50
27.92
1
A
62
ATOM
O
' OD1'
ASN
A
62
B
26.774
7.332
16.449
0.50
21.12
1
A
62
ATOM
N
' ND2'
ASN
A
62
A
27.399
10.393
12.247
0.50
26.11
1
A
62
ATOM
N
' ND2'
ASN
A
62
B
28.357
8.298
15.165
0.50
18.10
1
A
62
ATOM
O
' OXT'
ASN
A
62
A
26.944
11.211
16.432
0.50
17.62
1
A
62
ATOM
O
' OXT'
ASN
A
62
B
26.811
11.723
15.720
0.50
16.44
1
A
62
HETATM
S
' S '
SO4
?
1
?
13.711
8.933
24.513
0.50
32.59
?
SO4
1
HETATM
O
' O1 '
SO4
?
1
?
13.865
8.756
23.026
0.50
32.50
?
SO4
1
HETATM
O
' O2 '
SO4
?
1
?
12.326
9.426
24.800
0.50
31.45
?
SO4
1
HETATM
O
' O3 '
SO4
?
1
?
14.742
9.918
24.980
0.50
31.41
?
SO4
1
HETATM
O
' O4 '
SO4
?
1
?
13.902
7.609
25.193
0.50
32.20
?
SO4
1
HETATM
O
' O '
HOH
?
63
?
20.364
11.540
23.509
1.00
12.89
?
HOH
63
HETATM
O
' O '
HOH
?
64
?
20.056
15.028
26.974
0.50
12.14
?
HOH
64
HETATM
O
' O '
HOH
?
65
?
9.124
12.019
16.071
0.50
9.63
?
HOH
65
HETATM
O
' O '
HOH
?
66
?
17.450
1.139
20.344
0.95
19.71
?
HOH
66
HETATM
O
' O '
HOH
?
67
?
9.001
8.885
10.709
0.50
16.16
?
HOH
67
HETATM
O
' O '
HOH
?
68
?
22.277
7.065
25.605
1.00
25.70
?
HOH
68
HETATM
O
' O '
HOH
?
69
?
24.333
14.388
30.787
0.50
22.99
?
HOH
69
HETATM
O
' O '
HOH
?
70
?
32.505
21.721
30.569
1.00
22.54
?
HOH
70
HETATM
O
' O '
HOH
?
71
?
11.416
3.702
18.931
0.78
16.22
?
HOH
71
HETATM
O
' O '
HOH
?
72
?
23.012
20.611
30.976
0.68
12.70
?
HOH
72
HETATM
O
' O '
HOH
?
73
?
16.816
8.448
25.702
0.50
18.44
?
HOH
73
HETATM
O
' O '
HOH
?
74
?
8.503
8.431
18.368
0.97
35.52
?
HOH
74
HETATM
O
' O '
HOH
?
76
?
27.525
0.972
20.029
0.70
15.31
?
HOH
76
HETATM
O
' O '
HOH
?
77
?
15.719
19.230
9.207
0.82
22.14
?
HOH
77
HETATM
O
' O '
HOH
?
78
?
14.182
2.278
16.457
0.50
13.17
?
HOH
78
HETATM
O
' O '
HOH
?
79
?
29.874
9.216
26.567
0.50
10.57
?
HOH
79
HETATM
O
' O '
HOH
?
80
?
12.272
4.684
8.990
0.77
23.10
?
HOH
80
HETATM
O
' O '
HOH
?
81
?
30.426
14.342
24.736
1.00
32.38
?
HOH
81
HETATM
O
' O '
HOH
?
83
?
21.245
22.061
10.701
1.00
21.38
?
HOH
83
HETATM
O
' O '
HOH
?
84
?
22.001
8.513
28.222
0.61
18.31
?
HOH
84
HETATM
O
' O '
HOH
?
85
?
15.863
11.847
21.962
0.50
17.43
?
HOH
85
HETATM
O
' O '
HOH
?
86
?
29.911
22.303
23.817
0.76
23.74
?
HOH
86
HETATM
O
' O '
HOH
?
87
?
18.479
19.091
7.573
0.88
26.85
?
HOH
87
HETATM
O
' O '
HOH
?
88
?
16.214
3.684
22.102
0.50
23.63
?
HOH
88
HETATM
O
' O '
HOH
?
89
?
8.627
14.802
15.542
1.00
30.95
?
HOH
89
HETATM
O
' O '
HOH
?
90
?
28.785
4.917
20.303
0.52
16.69
?
HOH
90
HETATM
O
' O '
HOH
?
91
?
22.895
4.660
25.293
0.40
25.66
?
HOH
91
HETATM
O
' O '
HOH
?
93
?
27.358
10.964
8.149
0.50
35.62
?
HOH
93
HETATM
O
' O '
HOH
?
94
?
28.155
7.413
18.548
0.73
24.71
?
HOH
94
HETATM
O
' O '
HOH
?
95
?
30.275
3.134
23.567
0.70
22.55
?
HOH
95
HETATM
O
' O '
HOH
?
96
?
31.827
14.865
35.170
1.00
28.11
?
HOH
96
HETATM
O
' O '
HOH
?
97
?
13.727
12.121
20.029
0.73
17.70
?
HOH
97
HETATM
O
' O '
HOH
?
98
?
27.578
24.771
22.521
0.60
23.25
?
HOH
98
HETATM
O
' O '
HOH
?
99
?
15.772
13.578
2.605
0.50
23.92
?
HOH
99
HETATM
O
' O '
HOH
?
101
?
32.701
24.632
30.415
0.64
31.42
?
HOH
101
HETATM
O
' O '
HOH
?
102
?
30.898
12.177
22.856
0.44
21.15
?
HOH
102
HETATM
O
' O '
HOH
?
104
?
10.726
18.324
13.721
0.50
15.79
?
HOH
104
HETATM
O
' O '
HOH
?
105
?
19.585
6.098
24.909
0.50
21.97
?
HOH
105
HETATM
O
' O '
HOH
?
106
?
12.841
17.258
18.135
0.50
19.84
?
HOH
106
HETATM
O
' O '
HOH
?
107
?
33.763
20.365
32.530
0.50
29.75
?
HOH
107
HETATM
O
' O '
HOH
?
109
?
27.422
25.066
25.473
0.52
21.60
?
HOH
109
HETATM
O
' O '
HOH
?
110
?
33.618
22.329
35.782
1.00
33.38
?
HOH
110
HETATM
O
' O '
HOH
?
111
?
17.866
18.515
26.493
0.45
22.83
?
HOH
111
HETATM
O
' O '
HOH
?
112
?
32.765
21.118
27.595
0.37
17.19
?
HOH
112
HETATM
O
' O '
HOH
?
113
?
13.221
23.557
12.425
0.60
33.58
?
HOH
113
HETATM
O
' O '
HOH
?
114
?
18.899
23.421
9.696
0.50
37.39
?
HOH
114
HETATM
O
' O '
HOH
?
116
?
13.853
14.783
21.719
0.80
30.68
?
HOH
116
HETATM
O
' O '
HOH
?
117
?
10.152
0.768
16.688
0.56
29.08
?
HOH
117
HETATM
O
' O '
HOH
?
118
?
22.858
28.487
19.359
0.91
25.84
?
HOH
118
HETATM
O
' O '
HOH
?
119
?
16.008
24.549
14.050
0.54
20.51
?
HOH
119
HETATM
O
' O '
HOH
?
120
?
11.154
17.848
10.439
0.40
14.42
?
HOH
120
HETATM
O
' O '
HOH
?
121
?
21.042
12.989
26.190
0.50
19.74
?
HOH
121
HETATM
O
' O '
HOH
?
122
?
19.731
27.833
26.341
1.00
44.46
?
HOH
122
HETATM
O
' O '
HOH
?
124
?
15.574
30.068
19.914
0.60
24.02
?
HOH
124
HETATM
O
' O '
HOH
?
125
?
9.403
11.468
17.958
0.50
29.92
?
HOH
125
HETATM
O
' O '
HOH
?
128
?
15.751
27.226
14.938
0.40
25.68
?
HOH
128
HETATM
O
' O '
HOH
?
129
?
9.365
6.312
11.505
0.50
17.33
?
HOH
129
HETATM
O
' O '
HOH
?
130
?
17.556
0.116
15.070
0.67
27.50
?
HOH
130
HETATM
O
' O '
HOH
?
131
?
13.526
2.182
19.511
0.50
22.68
?
HOH
131
HETATM
O
' O '
HOH
?
133
?
11.946
12.193
23.218
0.38
23.03
?
HOH
133
HETATM
O
' O '
HOH
?
134
?
13.022
19.419
3.614
0.40
23.66
?
HOH
134
HETATM
O
' O '
HOH
?
137
?
18.225
23.341
20.456
1.00
33.34
?
HOH
137
HETATM
O
' O '
HOH
?
138
?
20.138
25.118
19.692
0.85
38.07
?
HOH
138
HETATM
O
' O '
HOH
?
140
?
14.717
24.027
21.105
0.60
36.81
?
HOH
140
HETATM
O
' O '
HOH
?
141
?
20.584
22.109
27.494
0.50
19.57
?
HOH
141
HETATM
O
' O '
HOH
?
142
?
33.941
18.841
35.203
0.50
32.42
?
HOH
142
HETATM
O
' O '
HOH
?
143
?
31.032
7.049
26.552
0.50
20.76
?
HOH
143
HETATM
O
' O '
HOH
?
145
?
30.617
16.097
37.655
0.58
33.58
?
HOH
145
HETATM
O
' O '
HOH
?
146
?
29.659
9.141
15.543
0.50
33.11
?
HOH
146
HETATM
O
' O '
HOH
?
148
?
9.834
13.829
18.993
0.50
35.12
?
HOH
148
HETATM
O
' O '
HOH
?
150
?
19.262
25.114
27.404
0.40
24.08
?
HOH
150
HETATM
O
' O '
HOH
?
151
?
25.558
26.792
26.769
0.43
27.86
?
HOH
151
HETATM
O
' O '
HOH
?
152
?
31.143
18.427
16.728
0.58
33.31
?
HOH
152
HETATM
O
' O '
HOH
?
153
?
10.335
9.069
7.310
0.51
24.56
?
HOH
153
HETATM
O
' O '
HOH
?
154
?
9.171
16.536
18.150
0.70
25.34
?
HOH
154
HETATM
O
' O '
HOH
?
157
?
31.747
25.296
25.517
0.47
25.54
?
HOH
157
HETATM
O
' O '
HOH
?
158
?
29.891
11.448
19.691
0.38
24.04
?
HOH
158
HETATM
O
' O '
HOH
?
165
?
18.310
3.200
26.092
0.64
35.07
?
HOH
165
HETATM
O
' O '
HOH
?
166
?
28.087
13.925
14.338
0.50
15.26
?
HOH
166
HETATM
O
' O '
HOH
?
168
?
29.260
13.527
15.380
0.50
26.52
?
HOH
168
HETATM
O
' O '
HOH
?
170
?
29.987
1.924
20.321
0.50
38.02
?
HOH
170
HETATM
O
' O '
HOH
?
172
?
25.186
8.776
11.403
0.40
21.58
?
HOH
172
HETATM
O
' O '
HOH
?
174
?
14.727
9.830
22.064
0.50
29.63
?
HOH
174
HETATM
O
' O '
HOH
?
175
?
11.274
18.389
17.558
0.50
30.31
?
HOH
175
HETATM
O
' O '
HOH
?
176
?
15.343
16.934
2.996
0.50
23.26
?
HOH
176
HETATM
O
' O '
HOH
?
267
?
8.645
7.837
11.253
0.50
14.66
?
HOH
267
HETATM
O
' O '
HOH
?
273
?
17.399
9.878
24.511
0.50
23.62
?
HOH
273
HETATM
O
' O '
HOH
?
274
?
9.160
5.839
18.687
0.72
39.16
?
HOH
274
HETATM
O
' O '
HOH
?
276
?
28.231
1.705
19.176
0.30
20.08
?
HOH
276
HETATM
O
' O '
HOH
?
278
?
14.241
1.403
17.528
0.50
28.26
?
HOH
278
HETATM
O
' O '
HOH
?
279
?
28.640
9.886
27.757
0.50
17.01
?
HOH
279
HETATM
O
' O '
HOH
?
284
?
22.002
5.145
28.281
0.64
32.60
?
HOH
284
HETATM
O
' O '
HOH
?
285
?
17.288
12.303
23.631
0.50
27.21
?
HOH
285
HETATM
O
' O '
HOH
?
288
?
14.394
4.414
21.700
0.50
32.73
?
HOH
288
HETATM
O
' O '
HOH
?
291
?
23.226
3.070
25.252
0.60
18.91
?
HOH
291
HETATM
O
' O '
HOH
?
293
?
26.531
10.712
10.036
0.50
40.69
?
HOH
293
HETATM
O
' O '
HOH
?
295
?
30.748
3.665
21.750
0.30
26.48
?
HOH
295
HETATM
O
' O '
HOH
?
296
?
33.027
16.525
36.850
0.51
28.56
?
HOH
296
HETATM
O
' O '
HOH
?
298
?
29.383
24.820
23.036
0.40
30.81
?
HOH
298
HETATM
O
' O '
HOH
?
299
?
14.109
12.796
3.309
0.50
24.98
?
HOH
299
HETATM
O
' O '
HOH
?
304
?
10.514
18.610
15.200
0.50
18.40
?
HOH
304
HETATM
O
' O '
HOH
?
305
?
18.488
7.707
25.482
0.50
27.09
?
HOH
305
HETATM
O
' O '
HOH
?
307
?
33.881
18.554
33.131
0.50
22.41
?
HOH
307
HETATM
O
' O '
HOH
?
309
?
28.165
26.244
27.529
0.40
31.00
?
HOH
309
HETATM
O
' O '
HOH
?
314
?
17.469
22.054
9.470
0.50
26.95
?
HOH
314
HETATM
O
' O '
HOH
?
315
?
32.026
25.012
21.129
0.40
15.11
?
HOH
315
HETATM
O
' O '
HOH
?
320
?
11.623
19.772
10.941
0.50
27.73
?
HOH
320
HETATM
O
' O '
HOH
?
325
?
9.797
12.260
19.800
0.50
29.61
?
HOH
325
HETATM
O
' O '
HOH
?
326
?
9.646
1.986
11.441
0.50
23.96
?
HOH
326
HETATM
O
' O '
HOH
?
346
?
29.531
11.678
16.525
0.40
33.34
?
HOH
346
HETATM
O
' O '
HOH
?
348
?
11.838
14.042
19.550
0.50
28.80
?
HOH
348