List of data items in ./1crn.cif
data_1crn.brk.
_audit_creation_date ?
_audit_creation_method 'PDB2CIF Convertor version 0.9cRH'
_database_code_PDB 1CRN
_chemical_name_common
;
CRAMBIN
;
_chemical_compound_source
;
ABYSSINIAN CABBAGE (CRAMBE ABYSSINICA) SEED
;
_audit_contact_author_name ' W.A.HENDRICKSON '
_audit_contact_author_address ?
_audit_contact_author_phone ?
_audit_contact_author_fax ?
_audit_contact_author_email ?
loop_
_audit_author_name
_audit_author_address
' M.M.TEETER '
?
loop_
_database_rev_num_PDB
_database_rev_author_name_PDB
_database_rev_date_PDB
_database_rev_date_original_PDB
_database_rev_replaces_PDB
_database_rev_status_PDB
_database_rev_mod_type_PDB
1
?
81-JUL-28
81-APR-30
?
?
0
2
?
81-DEC-03
81-APR-30
?
?
1
3
?
83-SEP-30
81-APR-30
?
?
1
4
?
85-MAR-04
81-APR-30
?
?
1
5
?
87-APR-16
81-APR-30
?
?
1
loop_
_database_rev_rec_rev_num_PDB
_database_rev_rec_type_PDB
2
SHEET
3
REVDAT
4
REMARK
5
HEADER
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_coden_ISSN
_citation_journal_coden_PDB
_citation_book_title
_citation_book_publisher
_citation_book_coden_ISBN
_citation_special_details
1
no
;
WATER STRUCTURE OF A HYDROPHOBIC PROTEIN AT ATOMIC
RESOLUTION. PENTAGON RINGS OF WATER MOLECULES IN
CRYSTALS OF CRAMBIN
;
US
'PROC.NAT.ACAD.SCI.USA '
81
?
6014
1984
'PNASA6 '
'0027-8424 '
?
?
?
?
?
2
no
;
STRUCTURE OF THE HYDROPHOBIC PROTEIN CRAMBIN
DETERMINED DIRECTLY FROM THE ANOMALOUS SCATTERING
OF SULPHUR
;
UK
'NATURE '
29
?
107
1981
'NATUAS '
'0028-0836 '
?
?
?
?
?
3
no
;
HIGHLY ORDERED CRYSTALS OF THE PLANT SEED PROTEIN
CRAMBIN
;
UK
'J.MOL.BIOL. '
12
?
219
1979
'JMOBAK '
'0022-2836 '
?
?
?
?
?
loop_
_citation_author_citation_id
_citation_author_name
1
'M.M.TEETER '
2
'W.A.HENDRICKSON '
2
'M.M.TEETER '
3
'M.M.TEETER '
3
'W.A.HENDRICKSON '
_diffrn_overall_dspacing_min ' 1.5 ANGSTROMS. '
loop_
_database_remark_num_PDB
_database_remark_text_PDB
3
;
REFINEMENT. RESTRAINED LEAST SQUARES (HENDRICKSON,W.A.,
KONNERT,J.H. COMPUTING IN CRYSTALLOGRAPHY, EDS.DIAMOND,R.,
RAMASESHAN,S.,VENKATESAN,K. (1980)).
;
4
;
CONFORMATIONAL HETEROGENEITY EXISTS AT ILE 7 AND ILE 25
WHERE CD1 ATOMS TAKE EITHER OF TWO STAGGERED POSSIBILITIES.
COMPOSITIONAL HETEROGENEITY ALSO EXISTS AT POSITIONS 22 AND
25. REFINEMENT PARAMETERS SUGGEST THAT RESIDUE 22 IS ABOUT
60/40 PRO/SER AND THAT RESIDUE 25 IS ABOUT 60/40 ILE/LEU.
THE HETEROGENEITY AT RESIDUE 22 APPARENTLY CAUSES A
DISORDER IN TYR 29 - THE REFINED POSITION OF ITS OH ATOM
MAKES AN IMPOSSIBLY SHORT CONTACT OF 2.6 ANGSTROMS WITH
ATOM CD OF PRO 22 ON A SCREW-RELATED MOLECULE. THE
DEPOSITED COORDINATES ARE ONLY FOR THE MAJOR CONTRIBUTOR AT
EACH SITE (PRO 22 AND ILE 25). DEPOSITION OF THE MODEL OF
DISORDER AND SOLVENT STRUCTURE IS DEFERRED UNTIL HIGHER
RESOLUTION REFINEMENT. THE R-FACTOR FOR THE COMPLETE MODEL
INCLUDING HETEROGENEITY AND SOLVENT IS 0.114 ISOTROPIC AND
0.104 ANISOTROPIC AGAINST ALL DATA IN THE 10.0 TO 1.5
ANGSTROM SHELL.
;
5
;
THE SECONDARY STRUCTURE SPECIFICATIONS ARE THOSE DEFINED
IN REFERENCE 1 ABOVE AND DEPEND ON PARTICULAR DEFINITIONS
THAT MAY AFFECT THE DETERMINATION OF END POINTS. PLEASE
CONSULT THE PRIMARY REFERENCE AND EXAMINE STRUCTURAL
DETAILS SUCH AS HYDROGEN BONDING AND CONFORMATION ANGLES
WHEN MAKING USE OF THE SPECIFICATIONS.
;
6
;
CORRECTION. CORRECT RESIDUE NUMBER ON STRAND 1 OF SHEET S1.
03-DEC-81.
;
7
;
CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83.
;
8
;
CORRECTION. INSERT NEW PUBLICATION AS REFERENCE 1 AND
RENUMBER THE OTHERS. 04-MAR-85.
;
9
;
CORRECTION. CHANGE DEPOSITION DATE FROM 31-APR-81 TO
30-APR-81. 16-APR-87.
;
loop_
_entity_poly_seq_entity_id
_entity_poly_seq_num
_entity_poly_seq_mon_id
A
1
THR
A
2
THR
A
3
CYS
A
4
CYS
A
5
PRO
A
6
SER
A
7
ILE
A
8
VAL
A
9
ALA
A
10
ARG
A
11
SER
A
12
ASN
A
13
PHE
A
14
ASN
A
15
VAL
A
16
CYS
A
17
ARG
A
18
LEU
A
19
PRO
A
20
GLY
A
21
THR
A
22
PRO
A
23
GLU
A
24
ALA
A
25
ILE
A
26
CYS
A
27
ALA
A
28
THR
A
29
TYR
A
30
THR
A
31
GLY
A
32
CYS
A
33
ILE
A
34
ILE
A
35
ILE
A
36
PRO
A
37
GLY
A
38
ALA
A
39
THR
A
40
CYS
A
41
PRO
A
42
GLY
A
43
ASP
A
44
TYR
A
45
ALA
A
46
ASN
loop_
_struct_conf_type_id
_struct_conf_type_criteria
_struct_conf_type_reference
HELX_RHAL
'From PDB'
?
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
'HELX H1'
HELX_RHAL
ILE
A
7
PRO
A
19
' 3/10 CONFORMATION RES 17,19 '
'HELX H2'
HELX_RHAL
GLU
A
23
THR
A
30
' DISTORTED 3/10 AT RES 30 '
'STRN S1'
STRN
THR
A
1
CYS
A
4
?
'STRN S1'
STRN
CYS
A
32
ILE
A
35
?
'TURN T1'
TURN
PRO
A
41
TYR
A
44
' '
_cell_length_a 40.960
_cell_length_b 18.650
_cell_length_c 22.520
_cell_angle_alpha 90.000
_cell_angle_beta 90.770
_cell_angle_gamma 90.000
_cell_volume 57899.6
_cell_special_details ?
_cell_formula_units_Z 2
_symmetry_space_group_name_H_M ' P 21 '
_atom_sites_Cartn_transform_axes ?
_atom_sites_fract_tran_matrix_11 .024414
_atom_sites_fract_tran_matrix_12 0.000000
_atom_sites_fract_tran_matrix_13 -.000328
_atom_sites_fract_tran_vector_11 0.00000
_atom_sites_fract_tran_matrix_21 0.000000
_atom_sites_fract_tran_matrix_22 .053619
_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 .044409
_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
CYS
A
3
' SG '
?
?
1_555
CYS
A
3
' CB '
?
?
1_555
?
2
covale
CYS
A
3
' SG '
?
?
1_555
CYS
A
40
' SG '
?
?
1_555
?
3
covale
CYS
A
4
' SG '
?
?
1_555
CYS
A
4
' CB '
?
?
1_555
?
4
covale
CYS
A
4
' SG '
?
?
1_555
CYS
A
32
' SG '
?
?
1_555
?
5
covale
CYS
A
16
' SG '
?
?
1_555
CYS
A
16
' CB '
?
?
1_555
?
6
covale
CYS
A
16
' SG '
?
?
1_555
CYS
A
26
' SG '
?
?
1_555
?
7
covale
CYS
A
26
' SG '
?
?
1_555
CYS
A
16
' SG '
?
?
1_555
?
8
covale
CYS
A
26
' SG '
?
?
1_555
CYS
A
26
' CB '
?
?
1_555
?
9
covale
CYS
A
32
' SG '
?
?
1_555
CYS
A
4
' SG '
?
?
1_555
?
10
covale
CYS
A
32
' SG '
?
?
1_555
CYS
A
32
' CB '
?
?
1_555
?
11
covale
CYS
A
40
' SG '
?
?
1_555
CYS
A
3
' SG '
?
?
1_555
?
12
covale
CYS
A
40
' SG '
?
?
1_555
CYS
A
40
' CB '
?
?
1_555
?
13
disulf
CYS
A
' 3'
?
?
?
1_555
CYS
A
' 40'
?
?
?
1_555
?
14
disulf
CYS
A
' 4'
?
?
?
1_555
CYS
A
' 32'
?
?
?
1_555
?
15
disulf
CYS
A
' 16'
?
?
?
1_555
CYS
A
' 26'
?
?
?
1_555
?
loop_
_struct_title
_struct_keywords
'CRAMBIN '
?
loop_
_struct_biol_id
_struct_biol_special_details
1CRN
' PLANT SEED PROTEIN '
loop_
_entity_id
_entity_type
_entity_name_common
_entity_name_systematic
_entity_name_systematic_system
_entity_source
_entity_special_details
?
?
?
?
?
?
?
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_
_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 '
THR
A
1
?
17.047
14.099
3.625
1.00
13.79
?
A
1
ATOM
C
' CA '
THR
A
1
?
16.967
12.784
4.338
1.00
10.80
?
A
1
ATOM
C
' C '
THR
A
1
?
15.685
12.755
5.133
1.00
9.19
?
A
1
ATOM
O
' O '
THR
A
1
?
15.268
13.825
5.594
1.00
9.85
?
A
1
ATOM
C
' CB '
THR
A
1
?
18.170
12.703
5.337
1.00
13.02
?
A
1
ATOM
O
' OG1'
THR
A
1
?
19.334
12.829
4.463
1.00
15.06
?
A
1
ATOM
C
' CG2'
THR
A
1
?
18.150
11.546
6.304
1.00
14.23
?
A
1
ATOM
N
' N '
THR
A
2
?
15.115
11.555
5.265
1.00
7.81
?
A
2
ATOM
C
' CA '
THR
A
2
?
13.856
11.469
6.066
1.00
8.31
?
A
2
ATOM
C
' C '
THR
A
2
?
14.164
10.785
7.379
1.00
5.80
?
A
2
ATOM
O
' O '
THR
A
2
?
14.993
9.862
7.443
1.00
6.94
?
A
2
ATOM
C
' CB '
THR
A
2
?
12.732
10.711
5.261
1.00
10.32
?
A
2
ATOM
O
' OG1'
THR
A
2
?
13.308
9.439
4.926
1.00
12.81
?
A
2
ATOM
C
' CG2'
THR
A
2
?
12.484
11.442
3.895
1.00
11.90
?
A
2
ATOM
N
' N '
CYS
A
3
?
13.488
11.241
8.417
1.00
5.24
?
A
3
ATOM
C
' CA '
CYS
A
3
?
13.660
10.707
9.787
1.00
5.39
?
A
3
ATOM
C
' C '
CYS
A
3
?
12.269
10.431
10.323
1.00
4.45
?
A
3
ATOM
O
' O '
CYS
A
3
?
11.393
11.308
10.185
1.00
6.54
?
A
3
ATOM
C
' CB '
CYS
A
3
?
14.368
11.748
10.691
1.00
5.99
?
A
3
ATOM
S
' SG '
CYS
A
3
?
15.885
12.426
10.016
1.00
7.01
?
A
3
ATOM
N
' N '
CYS
A
4
?
12.019
9.272
10.928
1.00
3.90
?
A
4
ATOM
C
' CA '
CYS
A
4
?
10.646
8.991
11.408
1.00
4.24
?
A
4
ATOM
C
' C '
CYS
A
4
?
10.654
8.793
12.919
1.00
3.72
?
A
4
ATOM
O
' O '
CYS
A
4
?
11.659
8.296
13.491
1.00
5.30
?
A
4
ATOM
C
' CB '
CYS
A
4
?
10.057
7.752
10.682
1.00
4.41
?
A
4
ATOM
S
' SG '
CYS
A
4
?
9.837
8.018
8.904
1.00
4.72
?
A
4
ATOM
N
' N '
PRO
A
5
?
9.561
9.108
13.563
1.00
3.96
?
A
5
ATOM
C
' CA '
PRO
A
5
?
9.448
9.034
15.012
1.00
4.25
?
A
5
ATOM
C
' C '
PRO
A
5
?
9.288
7.670
15.606
1.00
4.96
?
A
5
ATOM
O
' O '
PRO
A
5
?
9.490
7.519
16.819
1.00
7.44
?
A
5
ATOM
C
' CB '
PRO
A
5
?
8.230
9.957
15.345
1.00
5.11
?
A
5
ATOM
C
' CG '
PRO
A
5
?
7.338
9.786
14.114
1.00
5.24
?
A
5
ATOM
C
' CD '
PRO
A
5
?
8.366
9.804
12.958
1.00
5.20
?
A
5
ATOM
N
' N '
SER
A
6
?
8.875
6.686
14.796
1.00
4.83
?
A
6
ATOM
C
' CA '
SER
A
6
?
8.673
5.314
15.279
1.00
4.45
?
A
6
ATOM
C
' C '
SER
A
6
?
8.753
4.376
14.083
1.00
4.99
?
A
6
ATOM
O
' O '
SER
A
6
?
8.726
4.858
12.923
1.00
4.61
?
A
6
ATOM
C
' CB '
SER
A
6
?
7.340
5.121
15.996
1.00
5.05
?
A
6
ATOM
O
' OG '
SER
A
6
?
6.274
5.220
15.031
1.00
6.39
?
A
6
ATOM
N
' N '
ILE
A
7
?
8.881
3.075
14.358
1.00
4.94
?
A
7
ATOM
C
' CA '
ILE
A
7
?
8.912
2.083
13.258
1.00
6.33
?
A
7
ATOM
C
' C '
ILE
A
7
?
7.581
2.090
12.506
1.00
5.32
?
A
7
ATOM
O
' O '
ILE
A
7
?
7.670
2.031
11.245
1.00
6.85
?
A
7
ATOM
C
' CB '
ILE
A
7
?
9.207
.677
13.924
1.00
8.43
?
A
7
ATOM
C
' CG1'
ILE
A
7
?
10.714
.702
14.312
1.00
9.78
?
A
7
ATOM
C
' CG2'
ILE
A
7
?
8.811
-.477
12.969
1.00
11.70
?
A
7
ATOM
C
' CD1'
ILE
A
7
?
11.185
-.516
15.142
1.00
9.92
?
A
7
ATOM
N
' N '
VAL
A
8
?
6.458
2.162
13.159
1.00
5.02
?
A
8
ATOM
C
' CA '
VAL
A
8
?
5.145
2.209
12.453
1.00
6.93
?
A
8
ATOM
C
' C '
VAL
A
8
?
5.115
3.379
11.461
1.00
5.39
?
A
8
ATOM
O
' O '
VAL
A
8
?
4.664
3.268
10.343
1.00
6.30
?
A
8
ATOM
C
' CB '
VAL
A
8
?
3.995
2.354
13.478
1.00
9.64
?
A
8
ATOM
C
' CG1'
VAL
A
8
?
2.716
2.891
12.869
1.00
13.85
?
A
8
ATOM
C
' CG2'
VAL
A
8
?
3.758
1.032
14.208
1.00
11.97
?
A
8
ATOM
N
' N '
ALA
A
9
?
5.606
4.546
11.941
1.00
3.73
?
A
9
ATOM
C
' CA '
ALA
A
9
?
5.598
5.767
11.082
1.00
3.56
?
A
9
ATOM
C
' C '
ALA
A
9
?
6.441
5.527
9.850
1.00
4.13
?
A
9
ATOM
O
' O '
ALA
A
9
?
6.052
5.933
8.744
1.00
4.36
?
A
9
ATOM
C
' CB '
ALA
A
9
?
6.022
6.977
11.891
1.00
4.80
?
A
9
ATOM
N
' N '
ARG
A
10
?
7.647
4.909
10.005
1.00
3.73
?
A
10
ATOM
C
' CA '
ARG
A
10
?
8.496
4.609
8.837
1.00
3.38
?
A
10
ATOM
C
' C '
ARG
A
10
?
7.798
3.609
7.876
1.00
3.47
?
A
10
ATOM
O
' O '
ARG
A
10
?
7.878
3.778
6.651
1.00
4.67
?
A
10
ATOM
C
' CB '
ARG
A
10
?
9.847
4.020
9.305
1.00
3.95
?
A
10
ATOM
C
' CG '
ARG
A
10
?
10.752
3.607
8.149
1.00
4.55
?
A
10
ATOM
C
' CD '
ARG
A
10
?
11.226
4.699
7.244
1.00
5.89
?
A
10
ATOM
N
' NE '
ARG
A
10
?
12.143
5.571
8.035
1.00
6.20
?
A
10
ATOM
C
' CZ '
ARG
A
10
?
12.758
6.609
7.443
1.00
7.52
?
A
10
ATOM
N
' NH1'
ARG
A
10
?
12.539
6.932
6.158
1.00
10.68
?
A
10
ATOM
N
' NH2'
ARG
A
10
?
13.601
7.322
8.202
1.00
9.48
?
A
10
ATOM
N
' N '
SER
A
11
?
7.186
2.582
8.445
1.00
5.19
?
A
11
ATOM
C
' CA '
SER
A
11
?
6.500
1.584
7.565
1.00
4.60
?
A
11
ATOM
C
' C '
SER
A
11
?
5.382
2.313
6.773
1.00
4.84
?
A
11
ATOM
O
' O '
SER
A
11
?
5.213
2.016
5.557
1.00
5.84
?
A
11
ATOM
C
' CB '
SER
A
11
?
5.908
.462
8.400
1.00
5.91
?
A
11
ATOM
O
' OG '
SER
A
11
?
6.990
-.272
9.012
1.00
8.38
?
A
11
ATOM
N
' N '
ASN
A
12
?
4.648
3.182
7.446
1.00
3.54
?
A
12
ATOM
C
' CA '
ASN
A
12
?
3.545
3.935
6.751
1.00
4.57
?
A
12
ATOM
C
' C '
ASN
A
12
?
4.107
4.851
5.691
1.00
4.14
?
A
12
ATOM
O
' O '
ASN
A
12
?
3.536
5.001
4.617
1.00
5.52
?
A
12
ATOM
C
' CB '
ASN
A
12
?
2.663
4.677
7.748
1.00
6.42
?
A
12
ATOM
C
' CG '
ASN
A
12
?
1.802
3.735
8.610
1.00
8.25
?
A
12
ATOM
O
' OD1'
ASN
A
12
?
1.567
2.613
8.165
1.00
12.72
?
A
12
ATOM
N
' ND2'
ASN
A
12
?
1.394
4.252
9.767
1.00
9.92
?
A
12
ATOM
N
' N '
PHE
A
13
?
5.259
5.498
6.005
1.00
3.43
?
A
13
ATOM
C
' CA '
PHE
A
13
?
5.929
6.358
5.055
1.00
3.49
?
A
13
ATOM
C
' C '
PHE
A
13
?
6.304
5.578
3.799
1.00
3.40
?
A
13
ATOM
O
' O '
PHE
A
13
?
6.136
6.072
2.653
1.00
4.07
?
A
13
ATOM
C
' CB '
PHE
A
13
?
7.183
6.994
5.754
1.00
5.48
?
A
13
ATOM
C
' CG '
PHE
A
13
?
7.884
8.006
4.883
1.00
5.57
?
A
13
ATOM
C
' CD1'
PHE
A
13
?
8.906
7.586
4.027
1.00
6.99
?
A
13
ATOM
C
' CD2'
PHE
A
13
?
7.532
9.373
4.983
1.00
6.52
?
A
13
ATOM
C
' CE1'
PHE
A
13
?
9.560
8.539
3.194
1.00
8.20
?
A
13
ATOM
C
' CE2'
PHE
A
13
?
8.176
10.281
4.145
1.00
6.34
?
A
13
ATOM
C
' CZ '
PHE
A
13
?
9.141
9.845
3.292
1.00
6.84
?
A
13
ATOM
N
' N '
ASN
A
14
?
6.900
4.390
3.989
1.00
3.64
?
A
14
ATOM
C
' CA '
ASN
A
14
?
7.331
3.607
2.791
1.00
4.31
?
A
14
ATOM
C
' C '
ASN
A
14
?
6.116
3.210
1.915
1.00
3.98
?
A
14
ATOM
O
' O '
ASN
A
14
?
6.240
3.144
.684
1.00
6.22
?
A
14
ATOM
C
' CB '
ASN
A
14
?
8.145
2.404
3.240
1.00
5.81
?
A
14
ATOM
C
' CG '
ASN
A
14
?
9.555
2.856
3.730
1.00
6.82
?
A
14
ATOM
O
' OD1'
ASN
A
14
?
10.013
3.895
3.323
1.00
9.43
?
A
14
ATOM
N
' ND2'
ASN
A
14
?
10.120
1.956
4.539
1.00
8.21
?
A
14
ATOM
N
' N '
VAL
A
15
?
4.993
2.927
2.571
1.00
3.76
?
A
15
ATOM
C
' CA '
VAL
A
15
?
3.782
2.599
1.742
1.00
3.98
?
A
15
ATOM
C
' C '
VAL
A
15
?
3.296
3.871
1.004
1.00
3.80
?
A
15
ATOM
O
' O '
VAL
A
15
?
2.947
3.817
-.189
1.00
4.85
?
A
15
ATOM
C
' CB '
VAL
A
15
?
2.698
1.953
2.608
1.00
4.71
?
A
15
ATOM
C
' CG1'
VAL
A
15
?
1.384
1.826
1.806
1.00
6.67
?
A
15
ATOM
C
' CG2'
VAL
A
15
?
3.174
.533
3.005
1.00
6.26
?
A
15
ATOM
N
' N '
CYS
A
16
?
3.321
4.987
1.720
1.00
3.79
?
A
16
ATOM
C
' CA '
CYS
A
16
?
2.890
6.285
1.126
1.00
3.54
?
A
16
ATOM
C
' C '
CYS
A
16
?
3.687
6.597
-.111
1.00
3.48
?
A
16
ATOM
O
' O '
CYS
A
16
?
3.200
7.147
-1.103
1.00
4.63
?
A
16
ATOM
C
' CB '
CYS
A
16
?
3.039
7.369
2.240
1.00
4.58
?
A
16
ATOM
S
' SG '
CYS
A
16
?
2.559
9.014
1.649
1.00
5.66
?
A
16
ATOM
N
' N '
ARG
A
17
?
4.997
6.227
-.100
1.00
3.99
?
A
17
ATOM
C
' CA '
ARG
A
17
?
5.895
6.489
-1.213
1.00
3.83
?
A
17
ATOM
C
' C '
ARG
A
17
?
5.738
5.560
-2.409
1.00
3.79
?
A
17
ATOM
O
' O '
ARG
A
17
?
6.228
5.901
-3.507
1.00
5.39
?
A
17
ATOM
C
' CB '
ARG
A
17
?
7.370
6.507
-.731
1.00
4.11
?
A
17
ATOM
C
' CG '
ARG
A
17
?
7.717
7.687
.206
1.00
4.69
?
A
17
ATOM
C
' CD '
ARG
A
17
?
7.949
8.947
-.615
1.00
5.10
?
A
17
ATOM
N
' NE '
ARG
A
17
?
9.212
8.856
-1.337
1.00
4.71
?
A
17
ATOM
C
' CZ '
ARG
A
17
?
9.537
9.533
-2.431
1.00
5.28
?
A
17
ATOM
N
' NH1'
ARG
A
17
?
8.659
10.350
-3.032
1.00
6.67
?
A
17
ATOM
N
' NH2'
ARG
A
17
?
10.793
9.491
-2.899
1.00
6.41
?
A
17
ATOM
N
' N '
LEU
A
18
?
5.051
4.411
-2.204
1.00
4.70
?
A
18
ATOM
C
' CA '
LEU
A
18
?
4.933
3.431
-3.326
1.00
5.46
?
A
18
ATOM
C
' C '
LEU
A
18
?
4.397
4.014
-4.620
1.00
5.13
?
A
18
ATOM
O
' O '
LEU
A
18
?
4.988
3.755
-5.687
1.00
5.55
?
A
18
ATOM
C
' CB '
LEU
A
18
?
4.196
2.184
-2.863
1.00
6.47
?
A
18
ATOM
C
' CG '
LEU
A
18
?
4.960
1.178
-1.991
1.00
7.43
?
A
18
ATOM
C
' CD1'
LEU
A
18
?
3.907
.097
-1.634
1.00
8.70
?
A
18
ATOM
C
' CD2'
LEU
A
18
?
6.129
.606
-2.768
1.00
9.39
?
A
18
ATOM
N
' N '
PRO
A
19
?
3.329
4.795
-4.543
1.00
4.28
?
A
19
ATOM
C
' CA '
PRO
A
19
?
2.792
5.376
-5.797
1.00
5.38
?
A
19
ATOM
C
' C '
PRO
A
19
?
3.573
6.540
-6.322
1.00
6.30
?
A
19
ATOM
O
' O '
PRO
A
19
?
3.260
7.045
-7.422
1.00
9.62
?
A
19
ATOM
C
' CB '
PRO
A
19
?
1.358
5.766
-5.472
1.00
5.87
?
A
19
ATOM
C
' CG '
PRO
A
19
?
1.223
5.694
-3.993
1.00
6.47
?
A
19
ATOM
C
' CD '
PRO
A
19
?
2.421
4.941
-3.408
1.00
6.45
?
A
19
ATOM
N
' N '
GLY
A
20
?
4.565
7.047
-5.559
1.00
4.94
?
A
20
ATOM
C
' CA '
GLY
A
20
?
5.366
8.191
-6.018
1.00
5.39
?
A
20
ATOM
C
' C '
GLY
A
20
?
5.007
9.481
-5.280
1.00
5.03
?
A
20
ATOM
O
' O '
GLY
A
20
?
5.535
10.510
-5.730
1.00
7.34
?
A
20
ATOM
N
' N '
THR
A
21
?
4.181
9.438
-4.262
1.00
4.10
?
A
21
ATOM
C
' CA '
THR
A
21
?
3.767
10.609
-3.513
1.00
3.94
?
A
21
ATOM
C
' C '
THR
A
21
?
5.017
11.397
-3.042
1.00
3.96
?
A
21
ATOM
O
' O '
THR
A
21
?
5.947
10.757
-2.523
1.00
5.82
?
A
21
ATOM
C
' CB '
THR
A
21
?
2.992
10.188
-2.225
1.00
4.13
?
A
21
ATOM
O
' OG1'
THR
A
21
?
2.051
9.144
-2.623
1.00
5.45
?
A
21
ATOM
C
' CG2'
THR
A
21
?
2.260
11.349
-1.551
1.00
5.41
?
A
21
ATOM
N
' N '
PRO
A
22
?
4.971
12.703
-3.176
1.00
5.04
?
A
22
ATOM
C
' CA '
PRO
A
22
?
6.143
13.513
-2.696
1.00
4.69
?
A
22
ATOM
C
' C '
PRO
A
22
?
6.400
13.233
-1.225
1.00
4.19
?
A
22
ATOM
O
' O '
PRO
A
22
?
5.485
13.061
-.382
1.00
4.47
?
A
22
ATOM
C
' CB '
PRO
A
22
?
5.703
14.969
-2.920
1.00
7.12
?
A
22
ATOM
C
' CG '
PRO
A
22
?
4.676
14.893
-3.996
1.00
7.03
?
A
22
ATOM
C
' CD '
PRO
A
22
?
3.964
13.567
-3.811
1.00
4.90
?
A
22
ATOM
N
' N '
GLU
A
23
?
7.728
13.297
-.921
1.00
5.16
?
A
23
ATOM
C
' CA '
GLU
A
23
?
8.114
13.103
.500
1.00
5.31
?
A
23
ATOM
C
' C '
GLU
A
23
?
7.427
14.073
1.410
1.00
4.11
?
A
23
ATOM
O
' O '
GLU
A
23
?
7.036
13.682
2.540
1.00
5.11
?
A
23
ATOM
C
' CB '
GLU
A
23
?
9.648
13.285
.660
1.00
6.16
?
A
23
ATOM
C
' CG '
GLU
A
23
?
10.440
12.093
.063
1.00
7.48
?
A
23
ATOM
C
' CD '
GLU
A
23
?
11.941
12.170
.391
1.00
9.40
?
A
23
ATOM
O
' OE1'
GLU
A
23
?
12.416
13.225
.681
1.00
10.40
?
A
23
ATOM
O
' OE2'
GLU
A
23
?
12.539
11.070
.292
1.00
13.32
?
A
23
ATOM
N
' N '
ALA
A
24
?
7.212
15.334
.966
1.00
4.56
?
A
24
ATOM
C
' CA '
ALA
A
24
?
6.614
16.317
1.913
1.00
4.49
?
A
24
ATOM
C
' C '
ALA
A
24
?
5.212
15.936
2.350
1.00
4.10
?
A
24
ATOM
O
' O '
ALA
A
24
?
4.782
16.166
3.495
1.00
5.64
?
A
24
ATOM
C
' CB '
ALA
A
24
?
6.605
17.695
1.246
1.00
5.80
?
A
24
ATOM
N
' N '
ILE
A
25
?
4.445
15.318
1.405
1.00
4.37
?
A
25
ATOM
C
' CA '
ILE
A
25
?
3.074
14.894
1.756
1.00
5.44
?
A
25
ATOM
C
' C '
ILE
A
25
?
3.085
13.643
2.645
1.00
4.32
?
A
25
ATOM
O
' O '
ILE
A
25
?
2.315
13.523
3.578
1.00
4.72
?
A
25
ATOM
C
' CB '
ILE
A
25
?
2.204
14.637
.462
1.00
6.42
?
A
25
ATOM
C
' CG1'
ILE
A
25
?
1.815
16.048
-.129
1.00
7.50
?
A
25
ATOM
C
' CG2'
ILE
A
25
?
.903
13.864
.811
1.00
7.65
?
A
25
ATOM
C
' CD1'
ILE
A
25
?
.756
16.761
.757
1.00
7.80
?
A
25
ATOM
N
' N '
CYS
A
26
?
4.032
12.764
2.313
1.00
3.92
?
A
26
ATOM
C
' CA '
CYS
A
26
?
4.180
11.549
3.187
1.00
4.37
?
A
26
ATOM
C
' C '
CYS
A
26
?
4.632
11.944
4.596
1.00
3.95
?
A
26
ATOM
O
' O '
CYS
A
26
?
4.227
11.252
5.547
1.00
4.74
?
A
26
ATOM
C
' CB '
CYS
A
26
?
5.038
10.518
2.539
1.00
4.63
?
A
26
ATOM
S
' SG '
CYS
A
26
?
4.349
9.794
1.022
1.00
5.61
?
A
26
ATOM
N
' N '
ALA
A
27
?
5.408
13.012
4.694
1.00
3.89
?
A
27
ATOM
C
' CA '
ALA
A
27
?
5.879
13.502
6.026
1.00
4.43
?
A
27
ATOM
C
' C '
ALA
A
27
?
4.696
13.908
6.882
1.00
4.26
?
A
27
ATOM
O
' O '
ALA
A
27
?
4.528
13.422
8.025
1.00
5.44
?
A
27
ATOM
C
' CB '
ALA
A
27
?
6.880
14.615
5.830
1.00
5.36
?
A
27
ATOM
N
' N '
THR
A
28
?
3.827
14.802
6.358
1.00
4.53
?
A
28
ATOM
C
' CA '
THR
A
28
?
2.691
15.221
7.194
1.00
5.08
?
A
28
ATOM
C
' C '
THR
A
28
?
1.672
14.132
7.434
1.00
4.62
?
A
28
ATOM
O
' O '
THR
A
28
?
.947
14.112
8.468
1.00
7.80
?
A
28
ATOM
C
' CB '
THR
A
28
?
1.986
16.520
6.614
1.00
6.03
?
A
28
ATOM
O
' OG1'
THR
A
28
?
1.664
16.221
5.230
1.00
7.19
?
A
28
ATOM
C
' CG2'
THR
A
28
?
2.914
17.739
6.700
1.00
7.34
?
A
28
ATOM
N
' N '
TYR
A
29
?
1.621
13.190
6.511
1.00
5.01
?
A
29
ATOM
C
' CA '
TYR
A
29
?
.715
12.045
6.657
1.00
6.60
?
A
29
ATOM
C
' C '
TYR
A
29
?
1.125
11.125
7.815
1.00
4.92
?
A
29
ATOM
O
' O '
TYR
A
29
?
.286
10.632
8.545
1.00
7.13
?
A
29
ATOM
C
' CB '
TYR
A
29
?
.755
11.229
5.322
1.00
9.66
?
A
29
ATOM
C
' CG '
TYR
A
29
?
-.203
10.044
5.354
1.00
11.56
?
A
29
ATOM
C
' CD1'
TYR
A
29
?
-1.547
10.337
5.645
1.00
12.85
?
A
29
ATOM
C
' CD2'
TYR
A
29
?
.193
8.750
5.100
1.00
14.44
?
A
29
ATOM
C
' CE1'
TYR
A
29
?
-2.496
9.329
5.673
1.00
16.61
?
A
29
ATOM
C
' CE2'
TYR
A
29
?
-.801
7.705
5.156
1.00
17.11
?
A
29
ATOM
C
' CZ '
TYR
A
29
?
-2.079
8.031
5.430
1.00
19.99
?
A
29
ATOM
O
' OH '
TYR
A
29
?
-3.097
7.057
5.458
1.00
28.98
?
A
29
ATOM
N
' N '
THR
A
30
?
2.470
10.984
7.995
1.00
5.31
?
A
30
ATOM
C
' CA '
THR
A
30
?
2.986
9.994
8.950
1.00
5.70
?
A
30
ATOM
C
' C '
THR
A
30
?
3.609
10.505
10.230
1.00
6.28
?
A
30
ATOM
O
' O '
THR
A
30
?
3.766
9.715
11.186
1.00
8.77
?
A
30
ATOM
C
' CB '
THR
A
30
?
4.076
9.103
8.225
1.00
6.55
?
A
30
ATOM
O
' OG1'
THR
A
30
?
5.125
10.027
7.824
1.00
6.57
?
A
30
ATOM
C
' CG2'
THR
A
30
?
3.493
8.324
7.035
1.00
7.29
?
A
30
ATOM
N
' N '
GLY
A
31
?
3.984
11.764
10.241
1.00
4.99
?
A
31
ATOM
C
' CA '
GLY
A
31
?
4.769
12.336
11.360
1.00
5.50
?
A
31
ATOM
C
' C '
GLY
A
31
?
6.255
12.243
11.106
1.00
4.19
?
A
31
ATOM
O
' O '
GLY
A
31
?
7.037
12.750
11.954
1.00
6.12
?
A
31
ATOM
N
' N '
CYS
A
32
?
6.710
11.631
9.992
1.00
4.30
?
A
32
ATOM
C
' CA '
CYS
A
32
?
8.140
11.694
9.635
1.00
4.89
?
A
32
ATOM
C
' C '
CYS
A
32
?
8.500
13.141
9.206
1.00
5.50
?
A
32
ATOM
O
' O '
CYS
A
32
?
7.581
13.949
8.944
1.00
5.82
?
A
32
ATOM
C
' CB '
CYS
A
32
?
8.504
10.686
8.530
1.00
4.66
?
A
32
ATOM
S
' SG '
CYS
A
32
?
8.048
8.987
8.881
1.00
5.33
?
A
32
ATOM
N
' N '
ILE
A
33
?
9.793
13.410
9.173
1.00
6.02
?
A
33
ATOM
C
' CA '
ILE
A
33
?
10.280
14.760
8.823
1.00
5.24
?
A
33
ATOM
C
' C '
ILE
A
33
?
11.346
14.658
7.743
1.00
5.16
?
A
33
ATOM
O
' O '
ILE
A
33
?
11.971
13.583
7.552
1.00
7.19
?
A
33
ATOM
C
' CB '
ILE
A
33
?
10.790
15.535
10.085
1.00
5.49
?
A
33
ATOM
C
' CG1'
ILE
A
33
?
12.059
14.803
10.671
1.00
6.85
?
A
33
ATOM
C
' CG2'
ILE
A
33
?
9.684
15.686
11.138
1.00
6.45
?
A
33
ATOM
C
' CD1'
ILE
A
33
?
12.733
15.676
11.781
1.00
8.94
?
A
33
ATOM
N
' N '
ILE
A
34
?
11.490
15.773
7.038
1.00
5.52
?
A
34
ATOM
C
' CA '
ILE
A
34
?
12.552
15.877
6.036
1.00
6.82
?
A
34
ATOM
C
' C '
ILE
A
34
?
13.590
16.917
6.560
1.00
6.92
?
A
34
ATOM
O
' O '
ILE
A
34
?
13.168
18.006
6.945
1.00
9.22
?
A
34
ATOM
C
' CB '
ILE
A
34
?
11.987
16.360
4.681
1.00
8.11
?
A
34
ATOM
C
' CG1'
ILE
A
34
?
10.914
15.338
4.163
1.00
9.59
?
A
34
ATOM
C
' CG2'
ILE
A
34
?
13.131
16.517
3.629
1.00
9.73
?
A
34
ATOM
C
' CD1'
ILE
A
34
?
10.151
16.024
2.938
1.00
13.41
?
A
34
ATOM
N
' N '
ILE
A
35
?
14.856
16.493
6.536
1.00
7.06
?
A
35
ATOM
C
' CA '
ILE
A
35
?
15.930
17.454
6.941
1.00
7.52
?
A
35
ATOM
C
' C '
ILE
A
35
?
16.913
17.550
5.819
1.00
6.63
?
A
35
ATOM
O
' O '
ILE
A
35
?
17.097
16.660
4.970
1.00
7.90
?
A
35
ATOM
C
' CB '
ILE
A
35
?
16.622
16.995
8.285
1.00
8.07
?
A
35
ATOM
C
' CG1'
ILE
A
35
?
17.360
15.651
8.067
1.00
9.41
?
A
35
ATOM
C
' CG2'
ILE
A
35
?
15.592
16.974
9.434
1.00
9.46
?
A
35
ATOM
C
' CD1'
ILE
A
35
?
18.298
15.206
9.219
1.00
9.85
?
A
35
ATOM
N
' N '
PRO
A
36
?
17.664
18.669
5.806
1.00
8.07
?
A
36
ATOM
C
' CA '
PRO
A
36
?
18.635
18.861
4.738
1.00
8.78
?
A
36
ATOM
C
' C '
PRO
A
36
?
19.925
18.042
4.949
1.00
8.31
?
A
36
ATOM
O
' O '
PRO
A
36
?
20.593
17.742
3.945
1.00
9.09
?
A
36
ATOM
C
' CB '
PRO
A
36
?
18.945
20.364
4.783
1.00
9.67
?
A
36
ATOM
C
' CG '
PRO
A
36
?
18.238
20.937
5.908
1.00
10.15
?
A
36
ATOM
C
' CD '
PRO
A
36
?
17.371
19.900
6.596
1.00
9.53
?
A
36
ATOM
N
' N '
GLY
A
37
?
20.172
17.730
6.217
1.00
8.48
?
A
37
ATOM
C
' CA '
GLY
A
37
?
21.452
16.969
6.513
1.00
9.20
?
A
37
ATOM
C
' C '
GLY
A
37
?
21.143
15.478
6.427
1.00
10.41
?
A
37
ATOM
O
' O '
GLY
A
37
?
20.138
15.023
5.878
1.00
12.06
?
A
37
ATOM
N
' N '
ALA
A
38
?
22.055
14.701
7.032
1.00
9.24
?
A
38
ATOM
C
' CA '
ALA
A
38
?
22.019
13.242
7.020
1.00
9.24
?
A
38
ATOM
C
' C '
ALA
A
38
?
21.944
12.628
8.396
1.00
9.60
?
A
38
ATOM
O
' O '
ALA
A
38
?
21.869
11.387
8.435
1.00
13.65
?
A
38
ATOM
C
' CB '
ALA
A
38
?
23.246
12.697
6.275
1.00
10.43
?
A
38
ATOM
N
' N '
THR
A
39
?
21.894
13.435
9.436
1.00
8.70
?
A
39
ATOM
C
' CA '
THR
A
39
?
21.936
12.911
10.809
1.00
9.46
?
A
39
ATOM
C
' C '
THR
A
39
?
20.615
13.191
11.521
1.00
8.32
?
A
39
ATOM
O
' O '
THR
A
39
?
20.357
14.317
11.948
1.00
9.89
?
A
39
ATOM
C
' CB '
THR
A
39
?
23.131
13.601
11.593
1.00
10.72
?
A
39
ATOM
O
' OG1'
THR
A
39
?
24.284
13.401
10.709
1.00
11.66
?
A
39
ATOM
C
' CG2'
THR
A
39
?
23.340
12.935
12.962
1.00
11.81
?
A
39
ATOM
N
' N '
CYS
A
40
?
19.827
12.110
11.642
1.00
7.64
?
A
40
ATOM
C
' CA '
CYS
A
40
?
18.504
12.312
12.298
1.00
8.05
?
A
40
ATOM
C
' C '
CYS
A
40
?
18.684
12.451
13.784
1.00
7.63
?
A
40
ATOM
O
' O '
CYS
A
40
?
19.533
11.718
14.362
1.00
9.64
?
A
40
ATOM
C
' CB '
CYS
A
40
?
17.582
11.117
11.996
1.00
7.80
?
A
40
ATOM
S
' SG '
CYS
A
40
?
17.199
10.929
10.237
1.00
7.30
?
A
40
ATOM
N
' N '
PRO
A
41
?
17.880
13.266
14.426
1.00
8.00
?
A
41
ATOM
C
' CA '
PRO
A
41
?
17.924
13.421
15.877
1.00
8.96
?
A
41
ATOM
C
' C '
PRO
A
41
?
17.392
12.206
16.594
1.00
9.06
?
A
41
ATOM
O
' O '
PRO
A
41
?
16.652
11.368
16.033
1.00
8.82
?
A
41
ATOM
C
' CB '
PRO
A
41
?
17.076
14.658
16.145
1.00
10.39
?
A
41
ATOM
C
' CG '
PRO
A
41
?
16.098
14.689
14.997
1.00
10.99
?
A
41
ATOM
C
' CD '
PRO
A
41
?
16.859
14.150
13.779
1.00
10.49
?
A
41
ATOM
N
' N '
GLY
A
42
?
17.728
12.124
17.884
1.00
7.55
?
A
42
ATOM
C
' CA '
GLY
A
42
?
17.334
10.956
18.691
1.00
8.00
?
A
42
ATOM
C
' C '
GLY
A
42
?
15.875
10.688
18.871
1.00
7.22
?
A
42
ATOM
O
' O '
GLY
A
42
?
15.434
9.550
19.166
1.00
8.41
?
A
42
ATOM
N
' N '
ASP
A
43
?
15.036
11.747
18.715
1.00
5.54
?
A
43
ATOM
C
' CA '
ASP
A
43
?
13.564
11.573
18.836
1.00
5.85
?
A
43
ATOM
C
' C '
ASP
A
43
?
12.936
11.227
17.470
1.00
5.87
?
A
43
ATOM
O
' O '
ASP
A
43
?
11.720
11.040
17.428
1.00
7.29
?
A
43
ATOM
C
' CB '
ASP
A
43
?
12.933
12.737
19.580
1.00
6.72
?
A
43
ATOM
C
' CG '
ASP
A
43
?
13.140
14.094
18.958
1.00
8.59
?
A
43
ATOM
O
' OD1'
ASP
A
43
?
14.109
14.303
18.212
1.00
9.59
?
A
43
ATOM
O
' OD2'
ASP
A
43
?
12.267
14.963
19.265
1.00
11.45
?
A
43
ATOM
N
' N '
TYR
A
44
?
13.725
11.174
16.425
1.00
5.22
?
A
44
ATOM
C
' CA '
TYR
A
44
?
13.257
10.745
15.081
1.00
5.56
?
A
44
ATOM
C
' C '
TYR
A
44
?
14.275
9.687
14.612
1.00
4.61
?
A
44
ATOM
O
' O '
TYR
A
44
?
14.930
9.862
13.568
1.00
6.04
?
A
44
ATOM
C
' CB '
TYR
A
44
?
13.200
11.914
14.071
1.00
5.41
?
A
44
ATOM
C
' CG '
TYR
A
44
?
12.000
12.819
14.399
1.00
5.34
?
A
44
ATOM
C
' CD1'
TYR
A
44
?
12.119
13.853
15.332
1.00
6.59
?
A
44
ATOM
C
' CD2'
TYR
A
44
?
10.775
12.617
13.762
1.00
5.94
?
A
44
ATOM
C
' CE1'
TYR
A
44
?
11.045
14.675
15.610
1.00
5.97
?
A
44
ATOM
C
' CE2'
TYR
A
44
?
9.676
13.433
14.048
1.00
5.17
?
A
44
ATOM
C
' CZ '
TYR
A
44
?
9.802
14.456
14.996
1.00
5.96
?
A
44
ATOM
O
' OH '
TYR
A
44
?
8.740
15.265
15.269
1.00
8.60
?
A
44
ATOM
N
' N '
ALA
A
45
?
14.342
8.640
15.422
1.00
4.76
?
A
45
ATOM
C
' CA '
ALA
A
45
?
15.445
7.667
15.246
1.00
5.89
?
A
45
ATOM
C
' C '
ALA
A
45
?
15.171
6.533
14.280
1.00
6.67
?
A
45
ATOM
O
' O '
ALA
A
45
?
16.093
5.705
14.039
1.00
7.56
?
A
45
ATOM
C
' CB '
ALA
A
45
?
15.680
7.099
16.682
1.00
6.82
?
A
45
ATOM
N
' N '
ASN
A
46
?
13.966
6.502
13.739
1.00
5.80
?
A
46
ATOM
C
' CA '
ASN
A
46
?
13.512
5.395
12.878
1.00
6.15
?
A
46
ATOM
C
' C '
ASN
A
46
?
13.311
5.853
11.455
1.00
6.61
?
A
46
ATOM
O
' O '
ASN
A
46
?
13.733
6.929
11.026
1.00
7.18
?
A
46
ATOM
C
' CB '
ASN
A
46
?
12.266
4.769
13.501
1.00
7.27
?
A
46
ATOM
C
' CG '
ASN
A
46
?
12.538
4.304
14.922
1.00
7.98
?
A
46
ATOM
O
' OD1'
ASN
A
46
?
11.982
4.849
15.886
1.00
11.00
?
A
46
ATOM
N
' ND2'
ASN
A
46
?
13.407
3.298
15.015
1.00
10.32
?
A
46
ATOM
O
' OXT'
ASN
A
46
?
12.703
4.973
10.746
1.00
7.86
?
A
46