mmCIF - Example - 2Zn Insulin - 4INS
Last Update Nov. 08, 1995
CIF Editor
###############################################
# #
# Converted from PDB format to CIF format by #
# pdb2cif version 1.0.9-alpha 2 Nov 95 #
# by Phil Bourne and Herbert J. Bernstein #
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# * * #
# * THIS IS A TEST VERSION USE WITH CAUTION * #
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#
# Current major limitations:
#
# When PDB entries have a blank chain identifier, the current version
# of the code assigns "." for the corresponding _struct_asym.id. This
# is not a desirable choice. Better approaches are under discussion.
# Comments appreciated.
#
# This version of pdb2cif will not run with all versions of awk, because
# of the use of functions and a call to system. When the code stabilizes,
# versions for older awks will be made from this one. Until then, if
# you have trouble with /bin/awk, we would suggest using the gnu version
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data_4INS
_chemical.name_common
; Insulin
;
_chemical.compound_source
; Pig (Sus scrofa)
;
########################
# #
# AUDIT_CONTACT_AUTHOR #
# #
########################
_audit_contact_author.name 'G.G.Dodson'
####################
# #
# AUDIT_AUTHOR #
# #
####################
loop_
_audit_author.name
'E.J.Dodson'
'D.C.Hodgkin'
'N.W.Isaacs'
'M.Vijayan'
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.details
1 no
; The Structure Of 2zn Pig Insulin Crystals At 1.5
Angstroms Resolution
;
UK 'PHILOS.TRANS.R.SOC.LONDON, ' 319 ? 369 1988
'PTRBAE ' '0080-4622 ' ? ? ? ? ?
2 no
; A Comparative Assessment Of The Zinc-protein
Coordination In 2Zn-insulin As Determined By X-ray
Absorption Fine Structure (EXAFS) And X-ray
Crystallography
;
UK 'PROC.R.SOC.LONDON,SER.B ' 219 ? 21 1983
'PRLBA4 ' '0080-4649 ' ? ? ? ? ?
3 no
; Structural Relationships In The Two-zinc Insulin
Hexamer
;
CN 'CAN.J.BIOCHEM. ' 57 ? 469 1979
'CJBIAE ' '0008-4018 ' ? ? ? ? ?
4 no
; Experience With Fast Fourier Least Squares In The
Refinement Of The Crystal Structure Of Rhombohedral
2-Zinc Insulin At 1.5 Angstroms Resolution
;
DK 'ACTA CRYSTALLOGR.,SECT.A ' 34 ? 782 1978
'ACACBN ' '0567-7394 ' ? ? ? ? ?
5 no
; Rhombohedral Insulin Crystal Transformation
;
UK 'J.MOL.BIOL. ' 126 ? 871 1978
'JMOBAK ' '0022-2836 ' ? ? ? ? ?
6 no
; A Method For Fitting Satisfactory Models To Sets Of
Atomic Positions In Protein Structure Refinements
;
DK 'ACTA CRYSTALLOGR.,SECT.A ' 32 ? 311 1976
'ACACBN ' '0567-7394 ' ? ? ? ? ?
7 no
; Varieties Of Insulin
;
UK 'J.ENDOCRINOL. ' 63 ? 1 1974
'JOENAK ' '0022-0795 ' ? ? ? ? ?
8 no
; The Structure Of Insulin
;
DK 'DAN.TIDSSKR.FARM. ' 46 ? 1 1972
'DTFAAN ' '0011-6513 ' ? ? ? ? ?
9 no
; Insulin. The Structure In The Crystal And Its
Reflection In Chemistry And Biology
;
US 'ADV.PROTEIN CHEM. ' 26 ? 279 1972
'APCHA2 ' '0065-3233 ' ? ? ? ? ?
10 no
; The Crystal Structure Of Rhombohedral 2 Zinc
Insulin
;
US 'COLD SPRING HARBOR SYMP. ' 36 ? 233 1972
'CSHSAZ ' '0091-7451 ' ? ? ? ? ?
11 no
; Atomic Positions In Rhombohedral 2-Zinc Insulin
Crystals
;
UK 'NATURE ' 231 ? 506 1971
'NATUAS ' '0028-0836 ' ? ? ? ? ?
12 no
; X-Ray Analysis And The Structure Of Insulin
;
US 'RECENT PROG.HORM.RES. ' 27 ? 1 1971
'RPHRA6 ' '0079-9963 ' ? ? ? ? ?
13 no
; X-ray Diffraction Data On Some Crystalline
Varieties Of Insulin
;
UK 'J.MOL.BIOL. ' 54 ? 605 1970
'JMOBAK ' '0022-2836 ' ? ? ? ? ?
14 no
; Structure Of Rhombohedral 2 Zinc Insulin Crystals
;
UK 'NATURE ' 224 ? 491 1969
'NATUAS ' '0028-0836 ' ? ? ? ? ?
15 no
? ? ? 5 ? 187 1972 ? ? ?
'ATLAS OF PROTEIN SEQUENCE AND STRUCTURE (DATA SECTION)'
; NATIONAL BIOMEDICAL RESEARCH FOUNDATION,
SILVER SPRING,MD.
;
'0-912466-02-2 ' ?
loop_
_citation_editor.citation_id
_citation_editor.name
15 'M.O.Dayhoff'
loop_
_citation_author.citation_id
_citation_author.name
1 'E.N.Baker'
1 'T.L.Blundell'
1 'J.F.Cutfield'
1 'S.M.Cutfield'
1 'E.J.Dodson'
1 'G.G.Dodson'
1 'D.M.Crowfoot Hodgkin'
1 'R.E.Hubbard'
1 'N.W.Isaacs'
1 'C.D.Reynolds'
1 'K.Sakabe'
1 'N.Sakabe'
1 'N.M.Vijayan'
2 'J.Bordas'
2 'G.G.Dodson'
2 'H.Grewe'
2 'M.H.J.Koch'
2 'B.Krebs'
2 'J.Randall'
3 'E.J.Dodson'
3 'G.G.Dodson'
3 'D.C.Hodgkin'
3 'C.D.Reynolds'
4 'N.W.Isaacs'
4 'R.C.Agarwal'
5 'G.Bentley'
5 'G.Dodson'
5 'A.Lewitova'
6 'E.J.Dodson'
6 'N.W.Isaacs'
6 'J.S.Rollett'
7 'D.C.Hodgkin'
8 'D.C.Hodgkin'
9 'T.Blundell'
9 'G.Dodson'
9 'D.Hodgkin'
9 'D.Mercola'
10 'T.L.Blundell'
10 'J.F.Cutfield'
10 'E.J.Dodson'
10 'G.G.Dodson'
10 'D.C.Hodgkin'
10 'D.A.Mercola'
11 'T.L.Blundell'
11 'J.F.Cutfield'
11 'S.M.Cutfield'
11 'E.J.Dodson'
11 'G.G.Dodson'
11 'D.C.Hodgkin'
11 'D.A.Mercola'
11 'M.Vijayan'
12 'T.L.Blundell'
12 'G.G.Dodson'
12 'E.Dodson'
12 'D.C.Hodgkin'
12 'M.Vijayan'
13 'E.N.Baker'
13 'G.Dodson'
14 'M.J.Adams'
14 'T.L.Blundell'
14 'E.J.Dodson'
14 'G.G.Dodson'
14 'M.Vijayan'
14 'E.N.Baker'
14 'M.M.Harding'
14 'D.C.Hodgkin'
14 'B.Rimmer'
14 'S.Sheat'
_reflns.d_resolution_high 1.5
loop_
_database_PDB_remark.id
_database_PDB_remark.text
3
;
REFINEMENT. BY THE RESTRAINED LEAST-SQUARES PROCEDURE OF J.
KONNERT AND W. HENDRICKSON (PROGRAM *PROLSQ*). THE R
VALUE IS 0.153. THE RMS DEVIATION FROM IDEALITY OF THE
BOND LENGTHS IS 0.005 ANGSTROMS. THE RMS DEVIATION FROM
IDEALITY OF THE BOND ANGLES IS 5.9 DEGREES.
;
4
;
SOLVENT MOLECULES ARE INCLUDED IN THE REFINEMENT
CALCULATIONS. A COMPLETE SET OF SOLVENT COORDINATES IS
INCLUDED IN THIS ENTRY.
;
5
;
THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT OF INSULIN CONSISTS OF
TWO INSULIN MOLECULES EACH CONSISTING OF TWO CHAINS. THIS
ENTRY PRESENTS COORDINATES FOR MOLECULES I (CHAIN
INDICATORS *A* AND *B*) AND II (CHAIN INDICATORS *C* AND
*D*). THE QUASI-TWO-FOLD AXIS THAT TRANSFORMS MOLECULE I
INTO MOLECULE II IS GIVEN IN THE *MTRIX* RECORDS BELOW.
APPLYING THE THREE-FOLD CRYSTALLOGRAPHIC AXIS YIELDS A
HEXAMER AROUND THE AXIS. THERE ARE TWO ZINC IONS SITUATED
ON THIS THREE-FOLD AXIS. COORDINATES FOR THE ZINC IONS AND
SOME WATER MOLECULES ARE INCLUDED BELOW WITH A BLANK CHAIN
INDICATOR.
;
6
;
SITES *D1* AND *D2* ARE THE DIMER-FORMING RESIDUES IN
MOLECULES I AND II RESPECTIVELY. SITES *H1* AND *H2* ARE
THE HEXAMER-FORMING RESIDUES IN MOLECULES I AND II
RESPECTIVELY. SITES *SI1* AND *SI2* ARE THE
SURFACE-INVARIANT RESIDUES IN MOLECULES I AND II,
RESPECTIVELY, THAT ARE NOT INVOLVED IN DIMERIZATION.
RESIDUE GLU A 4 IS INVARIANT AS A CARBOXYLIC ACID.
RESIDUES HIS B 5 AND ARG B22 ARE INVARIANT IN INSULINS OF
HIGH POTENCY ONLY.
;
7
;
THERE ARE TWO COORDINATION SITES IN THE HEXAMER. SITE
*ZN1* COMPRISES RESIDUE HIS B 10 AND WATER HOH 4201 AND
THEIR TWO CRYSTALLOGRAPHICALLY-RELATED EQUIVALENTS. SITE
*ZN2* COMPRISES RESIDUE HIS D 10 AND WATER HOH 4513 AND
THEIR TWO CRYSTALLOGRAPHICALLY-RELATED EQUIVALENTS. SITE
*ZN1* IS OCTAHEDRALLY COORDINATED AROUND ZN1 AND SITE *ZN2*
IS OCTAHEDRALLY COORDINATED AROUND ZN2. THE TWO SITES ARE
VERY SIMILAR.
BECAUSE THE COORDINATES OF THE SYMMETRY-RELATED ATOMS ARE
NOT INCLUDED IN THIS ENTRY THE COMPLETE CONNECTIVITY OF
ATOMS ZN1 AND ZN2 CANNOT BE SPECIFIED. PARTIAL
CONNECTIVITY IS GIVEN BY
CONECT 247 245 246 832
CONECT 661 659 660 833
CONECT 832 247 851 ... ... ... ...
CONECT 833 661 895 ... ... ... ...
CONECT 851 832
CONECT 895 833
.
.
.
;
8
;
SOME RESIDUES ARE APPARENTLY DISORDERED BUT DIFFICULT TO
DESCRIBE IN TERMS OF ATOMIC POSITIONS. ALA B 30 IS ONE OF
THESE RESIDUES.
;
9
;
CORRECTION. CORRECT DEPOSITION DATE ON HEADER RECORD.
15-JUL-93.
;
10
;
CORRECTION. MOVE RESIDUE NUMBERS FOR HOH ATOMS TO THE
CORRECT COLUMNS. 31-JUL-94.
;
loop_
_struct_conf_type.id
_struct_conf_type.criteria
_struct_conf_type.reference
HELX_RH_AL_P 'From PDB' .
HELX_RH_3T_P 'From PDB' .
TURN 'From PDB' .
loop_
_struct_conf.id
_struct_conf.conf_type_id
_struct_conf.beg_label_comp_id
_struct_conf.beg_label_asym_id
_struct_conf.beg_label_seq_id
_struct_conf.end_label_comp_id
_struct_conf.end_label_asym_id
_struct_conf.end_label_seq_id
_struct_conf.details
helix_A11 HELX_RH_AL_P GLY A 1 ILE A 10 'VAL 203 O H-BONDED TO HOH'
helix_A12 HELX_RH_3T_P SER A 12 GLU A 17 'CNTCTS MOSTLY GT 3A,NOT IDEAL'
helix_B11 HELX_RH_AL_P SER B 9 GLY B 20 'CYS 67 GLY 68, 3(10) CONTACTS'
helix_A21 HELX_RH_AL_P GLY C 1 ILE C 10 'NOT IDEAL ALPH,SOME PI CNTCTS'
helix_A22 HELX_RH_3T_P SER C 12 GLU C 17 'CNTCTS MOSTLY GT 3A,NOT IDEAL'
helix_B21 HELX_RH_AL_P SER D 9 GLY D 20 'CYS 67,GLY 68, 3(10) CONTACTS'
turn_1B1 TURN CYS B 19 ARG B 22 ''
turn_1B2 TURN GLY B 20 GLY B 23 ''
turn_2B1 TURN CYS D 19 ARG D 22 ''
turn_2B2 TURN GLY D 20 GLY D 23 ''
loop_
_struct_site.id
_struct_site.details
D1 ?
D1 ?
D2 ?
D2 ?
H1 ?
H1 ?
H2 ?
H2 ?
SI1 ?
SI1 ?
SI2 ?
SI2 ?
loop_
_struct_site_gen.id
_struct_site_gen.site_id
_struct_site_gen.label_comp_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.details
1 D1 VAL B 12 . 1_555 .
2 D1 TYR B 16 . 1_555 .
3 D1 PHE B 24 . 1_555 .
4 D1 PHE B 25 . 1_555 .
5 D1 TYR B 26 . 1_555 .
6 D2 VAL D 12 . 1_555 .
7 D2 TYR D 16 . 1_555 .
8 D2 PHE D 24 . 1_555 .
9 D2 PHE D 25 . 1_555 .
10 D2 TYR D 26 . 1_555 .
11 H1 LEU A 13 . 1_555 .
12 H1 TYR A 14 . 1_555 .
13 H1 PHE B 1 . 1_555 .
14 H1 GLU B 13 . 1_555 .
15 H1 ALA B 14 . 1_555 .
16 H1 LEU B 17 . 1_555 .
17 H1 VAL B 18 . 1_555 .
18 H2 LEU C 13 . 1_555 .
19 H2 TYR C 14 . 1_555 .
20 H2 PHE D 1 . 1_555 .
21 H2 GLU D 13 . 1_555 .
22 H2 ALA D 14 . 1_555 .
23 H2 LEU D 17 . 1_555 .
24 H2 VAL D 18 . 1_555 .
25 SI1 GLY A 1 . 1_555 .
26 SI1 GLU A 4 . 1_555 .
27 SI1 GLN A 5 . 1_555 .
28 SI1 CYS A 7 . 1_555 .
29 SI1 TYR A 19 . 1_555 .
30 SI1 ASN A 21 . 1_555 .
31 SI1 CYS B 7 . 1_555 .
32 SI2 GLY C 1 . 1_555 .
33 SI2 GLU C 4 . 1_555 .
34 SI2 GLN C 5 . 1_555 .
35 SI2 CYS C 7 . 1_555 .
36 SI2 TYR C 19 . 1_555 .
37 SI2 ASN C 21 . 1_555 .
38 SI2 CYS D 7 . 1_555 .
_cell.length_a 82.500
_cell.length_b 82.500
_cell.length_c 34.000
_cell.angle_alpha 90.000
_cell.angle_beta 90.000
_cell.angle_gamma 120.000
_cell.volume 258726.0
_cell.details ?
_cell.Z_PDB 18
_symmetry.space_group_name_H-M ' R 3 '
##############################
# #
# STRUCT_CONN_TYPE #
# #
##############################
loop_
_struct_conn_type.id
_struct_conn_type.criteria
_struct_conn_type.reference
. 'unknown bond type from PDB file' ?
saltbr 'defined by user in PDB file' ?
hydrog 'defined by user in PDB file' ?
disulf 'defined by user in PDB file' ?
##############################
# #
# STRUCT_CONN #
# #
##############################
loop_
_struct_conn.id
_struct_conn.conn_type_id
_struct_conn.ptnr1_label_res_id
_struct_conn.ptnr1_label_asym_id
_struct_conn.ptnr1_label_seq_id
_struct_conn.ptnr1_label_atom_id
_struct_conn.ptnr1_label_alt_id
_struct_conn.ptnr1_role
_struct_conn.ptnr1_symmetry
_struct_conn.ptnr2_label_res_id
_struct_conn.ptnr2_label_asym_id
_struct_conn.ptnr2_label_seq_id
_struct_conn.ptnr2_label_atom_id
_struct_conn.ptnr2_label_alt_id
_struct_conn.ptnr2_role
_struct_conn.ptnr2_symmetry
_struct_conn.details
1 . CYS A 6 SG . ? 1_555 CYS A 6 CB . ? 1_555 .
2 . CYS A 6 SG . ? 1_555 CYS A 11 SG . ? 1_555 .
3 . CYS A 7 SG . ? 1_555 CYS A 7 CB . ? 1_555 .
4 . CYS A 7 SG . ? 1_555 CYS B 7 SG . ? 1_555 .
5 . CYS A 11 SG . ? 1_555 CYS A 6 SG . ? 1_555 .
6 . CYS A 11 SG . ? 1_555 CYS A 11 CB . ? 1_555 .
7 . CYS A 20 SG . ? 1_555 CYS A 20 CB . ? 1_555 .
8 . CYS A 20 SG . ? 1_555 CYS B 19 SG . ? 1_555 .
9 . CYS B 7 SG . ? 1_555 CYS A 7 SG . ? 1_555 .
10 . CYS B 7 SG . ? 1_555 CYS B 7 CB . ? 1_555 .
11 . CYS B 19 SG . ? 1_555 CYS A 20 SG . ? 1_555 .
12 . CYS B 19 SG . ? 1_555 CYS B 19 CB . ? 1_555 .
13 . CYS C 6 SG . ? 1_555 CYS C 6 CB . ? 1_555 .
14 . CYS C 6 SG . ? 1_555 CYS C 11 SG . ? 1_555 .
15 . CYS C 7 SG . ? 1_555 CYS C 7 CB . ? 1_555 .
16 . CYS C 7 SG . ? 1_555 CYS D 7 SG . ? 1_555 .
17 . CYS C 11 SG . ? 1_555 CYS C 6 SG . ? 1_555 .
18 . CYS C 11 SG . ? 1_555 CYS C 11 CB . ? 1_555 .
19 . CYS C 20 SG . ? 1_555 CYS C 20 CB . ? 1_555 .
20 . CYS C 20 SG . ? 1_555 CYS D 19 SG . ? 1_555 .
21 . CYS D 7 SG . ? 1_555 CYS C 7 SG . ? 1_555 .
22 . CYS D 7 SG . ? 1_555 CYS D 7 CB . ? 1_555 .
23 . CYS D 19 SG . ? 1_555 CYS C 20 SG . ? 1_555 .
24 . CYS D 19 SG . ? 1_555 CYS D 19 CB . ? 1_555 .
25 disulf CYS A 6 ? ? ? 1_555 CYS A 11 ? ? ? 1_555
.
26 disulf CYS C 6 ? ? ? 1_555 CYS C 11 ? ? ? 1_555
.
27 disulf CYS A 7 ? ? ? 1_555 CYS B 7 ? ? ? 1_555
.
28 disulf CYS A 20 ? ? ? 1_555 CYS B 19 ? ? ? 1_555
.
29 disulf CYS C 7 ? ? ? 1_555 CYS D 7 ? ? ? 1_555
.
30 disulf CYS C 20 ? ? ? 1_555 CYS D 19 ? ? ? 1_555
.
####################
# #
# AUDIT #
# #
####################
_audit.revision_id 4INSB
_audit.creation_date 1989-07-10
_audit.update_record
; 1993-07-15 PDB revision 4INSA
1994-07-31 PDB revision 4INSB
1995-11-02 Converted to mmCIF format by pdb2cif
;
##########################
# #
# ENTITY_POLY_SEQ #
# #
##########################
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
1 1 GLY 1 2 ILE 1 3 VAL 1 4 GLU 1 5 GLN
1 6 CYS 1 7 CYS 1 8 THR 1 9 SER 1 10 ILE
1 11 CYS 1 12 SER 1 13 LEU 1 14 TYR 1 15 GLN
1 16 LEU 1 17 GLU 1 18 ASN 1 19 TYR 1 20 CYS
1 21 ASN
2 22 PHE 2 23 VAL 2 24 ASN 2 25 GLN 2 26 HIS
2 27 LEU 2 28 CYS 2 29 GLY 2 30 SER 2 31 HIS
2 32 LEU 2 33 VAL 2 34 GLU 2 35 ALA 2 36 LEU
2 37 TYR 2 38 LEU 2 39 VAL 2 40 CYS 2 41 GLY
2 42 GLU 2 43 ARG 2 44 GLY 2 45 PHE 2 46 PHE
2 47 TYR 2 48 THR 2 49 PRO 2 50 LYS 2 51 ALA
loop_
_entity.id
_entity.type
_entity.details
1 polymer
; Protein chain: A, C
;
2 polymer
; Protein chain: B, D
;
5 non-polymer 'het group ZN'
6 water 'HOH'
loop_
_struct_asym.entity_id
_struct_asym.id
1 A
2 B
5 ZN
6 HOH
loop_
_entity_poly.entity_id
_entity_poly.type
_entity_poly.nstd_chirality
_entity_poly.nstd_linkage
_entity_poly.nstd_monomer
_entity_poly.type_details
1 ? ? ? ? ?
2 ? ? ? ? ?
1 ? ? ? ? ?
2 ? ? ? ? ?
####################
# #
# CHEM_COMP #
# #
####################
loop_
_chem_comp.id
_chem_comp.mon_nstd_flag
_chem_comp.formula
ZN no
; 2(ZN1 ++)
;
HOH no
; 350(H2 O1)
;
######################
# #
# ATOM_SITES #
# #
######################
loop_
_database_pdb_matrix.origx[1][1]
_database_pdb_matrix.origx[1][2]
_database_pdb_matrix.origx[1][3]
_database_pdb_matrix.origx_vector[1]
_database_pdb_matrix.origx[2][1]
_database_pdb_matrix.origx[2][2]
_database_pdb_matrix.origx[2][3]
_database_pdb_matrix.origx_vector[2]
_database_pdb_matrix.origx[3][1]
_database_pdb_matrix.origx[3][2]
_database_pdb_matrix.origx[3][3]
_database_pdb_matrix.origx_vector[3]
1.000000 0.000000 0.000000 0.00000
0.000000 1.000000 0.000000 0.00000
0.000000 0.000000 1.000000 0.00000
_atom_sites.cartn_transform_axes
'See _atom_sites.frac_transf_matrix[i][j]'
loop_
_atom_sites.frac_transf_matrix[1][1]
_atom_sites.frac_transf_matrix[1][2]
_atom_sites.frac_transf_matrix[1][3]
_atom_sites.frac_transf_vector[1]
_atom_sites.frac_transf_matrix[2][1]
_atom_sites.frac_transf_matrix[2][2]
_atom_sites.frac_transf_matrix[2][3]
_atom_sites.frac_transf_vector[2]
_atom_sites.frac_transf_matrix[3][1]
_atom_sites.frac_transf_matrix[3][2]
_atom_sites.frac_transf_matrix[3][3]
_atom_sites.frac_transf_vector[3]
0.012121 0.006998 0.000000 0.00000
0.000000 0.013996 0.000000 0.00000
0.000000 0.000000 0.029412 0.00000
##############################
# #
# ATOM_SITES_NON_CRYST_TRANSF#
# #
##############################
##### WARNING ################
# DOMAIN INFORMATION NEEDED #
##############################
loop_
_atom_sites_non_cryst_transf.matrix_id
_atom_sites_non_cryst_transf.result_given
_atom_sites_non_cryst_transf.matrix[1][1]
_atom_sites_non_cryst_transf.matrix[1][2]
_atom_sites_non_cryst_transf.matrix[1][3]
_atom_sites_non_cryst_transf.vector[1]
_atom_sites_non_cryst_transf.matrix[2][1]
_atom_sites_non_cryst_transf.matrix[2][2]
_atom_sites_non_cryst_transf.matrix[2][3]
_atom_sites_non_cryst_transf.vector[2]
_atom_sites_non_cryst_transf.matrix[3][1]
_atom_sites_non_cryst_transf.matrix[3][2]
_atom_sites_non_cryst_transf.matrix[3][3]
_atom_sites_non_cryst_transf.vector[3]
1 yes
-0.878620 -0.476960 0.023050 0.00000
-0.477430 0.878370 -0.022860 0.00000
-0.009350 -0.031090 -0.999470 0.00000
####################
# #
# ATOM_SITES_ALT #
# #
####################
loop_
_atom_sites_alt.id
_atom_sites_alt.details
A ?
B ?
######################
# #
# ATOM_SITES_FOOTNOTE#
# #
######################
loop_
_atom_sites_footnote.id
_atom_sites_footnote.text
1
;
THE QUASI-TWO-FOLD SYMMETRY BREAKS DOWN MOST SERIOUSLY AT
RESIDUES
GLY A 1 TO GLN A 5 AND GLY C 1 TO GLN C 5
HIS B 5 AND HIS D 5
PHE B 25 AND PHE D 25
;
2
;
THE FOLLOWING RESIDUES ARE DISORDERED - GLN B 4, VAL B 12,
GLU B 21, ARG B 22, ARG D 22, LYS D 29.
;
3
;
SEE REMARK 8.
;
####################
# #
# ATOM_SITE #
# #
####################
loop_
_atom_site.entity_seq_num
_atom_site.group_PDB
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_comp_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.id
1
ATOM N N GLY A 1 . -8.863 16.944 14.289 1.00 21.88 1 1 1
1
ATOM C CA GLY A 1 . -9.929 17.026 13.244 1.00 22.85 1 1 2
1
ATOM C C GLY A 1 . -10.051 15.625 12.618 1.00 43.92 1 1 3
1
ATOM O O GLY A 1 . -9.782 14.728 13.407 1.00 25.22 1 1 4
2
ATOM N N ILE A 2 . -10.333 15.531 11.332 1.00 26.28 1 1 5
2
ATOM C CA ILE A 2 . -10.488 14.266 10.600 1.00 20.84 1 1 6
2
ATOM C C ILE A 2 . -9.367 13.302 10.658 1.00 11.81 1 1 7
2
ATOM O O ILE A 2 . -9.580 12.092 10.969 1.00 20.31 1 1 8
2
ATOM C CB ILE A 2 . -10.883 14.493 9.095 1.00 40.00 1 1 9
2
ATOM C CG1 ILE A 2 . -11.579 13.146 8.697 1.00 36.74 1 1 10
2
ATOM C CG2 ILE A 2 . -9.741 14.794 8.140 1.00 23.02 1 1 11
2
ATOM C CD1 ILE A 2 . -12.813 13.031 9.640 1.00 26.69 1 1 12
3
ATOM N N VAL A 3 . -8.133 13.759 10.483 1.00 16.57 1 1 13
3
ATOM C CA VAL A 3 . -6.966 12.901 10.576 1.00 15.75 1 1 14
3
ATOM C C VAL A 3 . -6.892 12.161 11.922 1.00 22.09 1 1 15
3
ATOM O O VAL A 3 . -6.547 10.990 12.037 1.00 24.52 1 1 16
3
ATOM C CB VAL A 3 . -5.697 13.708 10.225 1.00 21.34 1 1 17
3
ATOM C CG1 VAL A 3 . -4.382 12.960 10.448 1.00 32.48 1 1 18
3
ATOM C CG2 VAL A 3 . -5.842 14.209 8.777 1.00 26.35 1 1 19
4
ATOM N N GLU A 4 . -7.043 13.019 12.935 1.00 16.58 1 1 20
4
ATOM C CA GLU A 4 . -6.889 12.474 14.295 1.00 15.32 1 1 21
4
ATOM C C GLU A 4 . -8.004 11.558 14.610 1.00 16.88 1 1 22
4
ATOM O O GLU A 4 . -7.888 10.474 15.128 1.00 23.30 1 1 23
4
ATOM C CB GLU A 4 . -6.809 13.691 15.266 1.00 17.11 1 1 24
4
ATOM C CG GLU A 4 . -5.615 14.565 14.951 1.00 21.45 1 1 25
4
ATOM C CD GLU A 4 . -5.704 15.457 13.735 1.00 21.59 1 1 26
4
ATOM O OE1 GLU A 4 . -6.757 15.959 13.377 1.00 23.43 1 1 27
4
ATOM O OE2 GLU A 4 . -4.568 15.569 13.179 1.00 25.36 1 1 28
5
ATOM N N GLN A 5 . -9.199 12.048 14.356 1.00 15.69 1 1 29
5
ATOM C CA GLN A 5 . -10.407 11.299 14.630 1.00 12.38 1 1 30
5
ATOM C C GLN A 5 . -10.431 9.940 13.980 1.00 19.86 1 1 31
5
ATOM O O GLN A 5 . -10.815 8.931 14.542 1.00 16.83 1 1 32
5
ATOM C CB GLN A 5 . -11.594 12.130 14.152 1.00 21.13 1 1 33
5
ATOM C CG GLN A 5 . -12.860 11.374 14.561 1.00 22.06 1 1 34
5
ATOM C CD GLN A 5 . -13.946 11.901 13.634 1.00 42.02 1 1 35
5
ATOM O OE1 GLN A 5 . -13.908 13.027 13.169 1.00 55.10 1 1 36
5
ATOM N NE2 GLN A 5 . -14.943 11.030 13.351 1.00 27.27 1 1 37
6
ATOM N N CYS A 6 . -10.033 9.815 12.695 1.00 13.19 . 1 38
6
ATOM C CA CYS A 6 . -10.050 8.518 12.065 1.00 12.63 . 1 39
6
ATOM C C CYS A 6 . -9.105 7.520 12.667 1.00 9.95 . 1 40
6
ATOM O O CYS A 6 . -9.395 6.288 12.666 1.00 14.22 . 1 41
6
ATOM C CB CYS A 6 . -9.660 8.673 10.559 1.00 12.54 . 1 42
6
ATOM S SG CYS A 6 . -10.925 9.459 9.579 1.00 13.00 . 1 43
7
ATOM N N CYS A 7 . -8.018 7.992 13.171 1.00 10.84 . 1 44
7
ATOM C CA CYS A 7 . -6.964 7.186 13.808 1.00 17.02 . 1 45
7
ATOM C C CYS A 7 . -7.236 6.948 15.358 1.00 13.71 . 1 46
7
ATOM O O CYS A 7 . -7.061 5.782 15.768 1.00 19.28 . 1 47
7
ATOM C CB CYS A 7 . -5.578 7.826 13.656 1.00 20.24 . 1 48
7
ATOM S SG CYS A 7 . -4.181 6.819 14.134 1.00 13.80 . 1 49
8
ATOM N N THR A 8 . -7.655 7.937 16.058 1.00 12.57 . 1 50
8
ATOM C CA THR A 8 . -7.862 7.732 17.520 1.00 19.99 . 1 51
8
ATOM C C THR A 8 . -9.143 6.997 17.870 1.00 26.34 . 1 52
8
ATOM O O THR A 8 . -9.189 6.157 18.795 1.00 25.43 . 1 53
8
ATOM C CB THR A 8 . -7.728 9.055 18.386 1.00 20.77 . 1 54
8
ATOM O OG1 THR A 8 . -8.889 9.918 18.117 1.00 26.76 . 1 55
8
ATOM C CG2 THR A 8 . -6.334 9.700 18.196 1.00 26.50 . 1 56
9
ATOM N N SER A 9 . -10.170 7.350 17.058 1.00 20.01 . 1 57
9
ATOM C CA SER A 9 . -11.509 6.803 17.121 1.00 16.88 . 1 58
9
ATOM C C SER A 9 . -11.796 5.981 15.856 1.00 12.70 . 1 59
9
ATOM O O SER A 9 . -11.139 5.010 15.473 1.00 17.60 . 1 60
9
ATOM C CB SER A 9 . -12.331 8.067 17.439 1.00 19.52 . 1 61
9
ATOM O OG SER A 9 . -13.674 7.774 17.650 1.00 32.34 . 1 62
10
ATOM N N ILE A 10 . -12.883 6.382 15.159 1.00 15.34 . 1 63
10
ATOM C CA ILE A 10 . -13.350 5.723 13.932 1.00 20.23 . 1 64
10
ATOM C C ILE A 10 . -13.969 6.902 13.106 1.00 17.50 . 1 65
10
ATOM O O ILE A 10 . -14.355 7.922 13.623 1.00 16.60 . 1 66
10
ATOM C CB ILE A 10 . -14.366 4.524 14.047 1.00 19.39 . 1 67
10
ATOM C CG1 ILE A 10 . -15.702 4.874 14.742 1.00 22.05 . 1 68
10
ATOM C CG2 ILE A 10 . -13.711 3.300 14.723 1.00 23.30 . 1 69
10
ATOM C CD1 ILE A 10 . -16.702 3.722 15.005 1.00 42.11 . 1 70
11
ATOM N N CYS A 11 . -14.080 6.685 11.767 1.00 12.14 . 1 71
11
ATOM C CA CYS A 11 . -14.665 7.679 10.880 1.00 11.24 . 1 72
11
ATOM C C CYS A 11 . -15.301 6.881 9.766 1.00 12.17 . 1 73
11
ATOM O O CYS A 11 . -14.962 5.692 9.528 1.00 21.14 . 1 74
11
ATOM C CB CYS A 11 . -13.695 8.702 10.417 1.00 13.03 . 1 75
11
ATOM S SG CYS A 11 . -12.375 8.019 9.385 1.00 13.60 . 1 76
12
ATOM N N SER A 12 . -16.233 7.557 9.095 1.00 11.37 . 1 77
12
ATOM C CA SER A 12 . -16.999 6.978 8.005 1.00 9.91 . 1 78
12
ATOM C C SER A 12 . -16.563 7.644 6.726 1.00 7.40 . 1 79
12
ATOM O O SER A 12 . -15.967 8.753 6.711 1.00 9.67 . 1 80
12
ATOM C CB SER A 12 . -18.516 7.183 8.084 1.00 16.64 . 1 81
12
ATOM O OG SER A 12 . -18.869 8.543 7.881 1.00 17.14 . 1 82
13
ATOM N N LEU A 13 . -16.852 6.914 5.612 1.00 11.35 . 1 83
13
ATOM C CA LEU A 13 . -16.530 7.444 4.259 1.00 11.35 . 1 84
13
ATOM C C LEU A 13 . -17.317 8.715 4.030 1.00 12.55 . 1 85
13
ATOM O O LEU A 13 . -16.835 9.521 3.226 1.00 11.78 . 1 86
13
ATOM C CB LEU A 13 . -16.774 6.348 3.232 1.00 11.66 . 1 87
13
ATOM C CG LEU A 13 . -15.940 5.046 3.316 1.00 18.12 . 1 88
13
ATOM C CD1 LEU A 13 . -16.050 4.197 2.018 1.00 18.76 . 1 89
13
ATOM C CD2 LEU A 13 . -14.471 5.320 3.537 1.00 17.26 . 1 90
14
ATOM N N TYR A 14 . -18.491 8.790 4.629 1.00 10.84 . 1 91
14
ATOM C CA TYR A 14 . -19.282 10.035 4.368 1.00 10.75 . 1 92
14
ATOM C C TYR A 14 . -18.639 11.228 4.963 1.00 12.81 . 1 93
14
ATOM O O TYR A 14 . -18.706 12.298 4.341 1.00 15.11 . 1 94
14
ATOM C CB TYR A 14 . -20.746 9.900 4.799 1.00 12.90 . 1 95
14
ATOM C CG TYR A 14 . -21.463 8.764 4.079 1.00 18.23 . 1 96
14
ATOM C CD1 TYR A 14 . -22.110 9.123 2.891 1.00 18.95 . 1 97
14
ATOM C CD2 TYR A 14 . -21.461 7.440 4.475 1.00 15.42 . 1 98
14
ATOM C CE1 TYR A 14 . -22.767 8.167 2.086 1.00 18.15 . 1 99
14
ATOM C CE2 TYR A 14 . -22.118 6.436 3.676 1.00 14.31 . 1 100
14
ATOM C CZ TYR A 14 . -22.738 6.856 2.556 1.00 15.47 . 1 101
14
ATOM O OH TYR A 14 . -23.436 5.926 1.716 1.00 24.86 . 1 102
15
ATOM N N GLN A 15 . -17.945 11.100 6.091 1.00 9.63 . 1 103
15
ATOM C CA GLN A 15 . -17.178 12.138 6.774 1.00 9.40 . 1 104
15
ATOM C C GLN A 15 . -16.012 12.543 5.900 1.00 10.52 . 1 105
15
ATOM O O GLN A 15 . -15.611 13.717 5.722 1.00 14.25 . 1 106
15
ATOM C CB GLN A 15 . -16.774 11.841 8.205 1.00 13.89 . 1 107
15
ATOM C CG GLN A 15 . -17.894 11.668 9.206 1.00 17.53 . 1 108
15
ATOM C CD GLN A 15 . -17.524 11.056 10.515 1.00 28.21 . 1 109
15
ATOM O OE1 GLN A 15 . -16.865 10.027 10.598 1.00 20.14 . 1 110
15
ATOM N NE2 GLN A 15 . -17.994 11.650 11.624 1.00 30.25 . 1 111
16
ATOM N N LEU A 16 . -15.352 11.525 5.325 1.00 12.99 . 1 112
16
ATOM C CA LEU A 16 . -14.185 11.826 4.470 1.00 11.19 . 1 113
16
ATOM C C LEU A 16 . -14.605 12.634 3.249 1.00 15.54 . 1 114
16
ATOM O O LEU A 16 . -13.767 13.398 2.745 1.00 16.01 . 1 115
16
ATOM C CB LEU A 16 . -13.588 10.521 4.060 1.00 12.67 . 1 116
16
ATOM C CG LEU A 16 . -12.954 9.717 5.182 1.00 13.07 . 1 117
16
ATOM C CD1 LEU A 16 . -12.115 8.571 4.602 1.00 16.61 . 1 118
16
ATOM C CD2 LEU A 16 . -12.041 10.559 6.028 1.00 16.50 . 1 119
17
ATOM N N GLU A 17 . -15.779 12.420 2.759 1.00 17.50 . 1 120
17
ATOM C CA GLU A 17 . -16.223 13.179 1.589 1.00 17.72 . 1 121
17
ATOM C C GLU A 17 . -16.171 14.693 1.811 1.00 19.21 . 1 122
17
ATOM O O GLU A 17 . -16.118 15.466 0.803 1.00 18.48 . 1 123
17
ATOM C CB GLU A 17 . -17.645 12.862 1.215 1.00 17.38 . 1 124
17
ATOM C CG GLU A 17 . -17.885 11.629 0.360 1.00 27.97 . 1 125
17
ATOM C CD GLU A 17 . -19.225 11.667 -0.391 1.00 26.70 . 1 126
17
ATOM O OE1 GLU A 17 . -20.201 11.466 0.276 1.00 29.93 . 1 127
17
ATOM O OE2 GLU A 17 . -19.127 11.873 -1.643 1.00 34.66 . 1 128
18
ATOM N N ASN A 18 . -16.094 15.074 3.104 1.00 15.10 . 1 129
18
ATOM C CA ASN A 18 . -16.029 16.534 3.332 1.00 18.85 . 1 130
18
ATOM C C ASN A 18 . -14.703 17.131 2.954 1.00 18.46 . 1 131
18
ATOM O O ASN A 18 . -14.545 18.377 2.834 1.00 19.68 . 1 132
18
ATOM C CB ASN A 18 . -16.489 16.934 4.738 1.00 20.66 . 1 133
18
ATOM C CG ASN A 18 . -17.868 16.338 5.142 1.00 29.79 . 1 134
18
ATOM O OD1 ASN A 18 . -18.813 16.053 4.382 1.00 34.48 . 1 135
18
ATOM N ND2 ASN A 18 . -17.991 16.168 6.452 1.00 36.00 . 1 136
19
ATOM N N TYR A 19 . -13.697 16.327 2.738 1.00 15.68 . 1 137
19
ATOM C CA TYR A 19 . -12.358 16.724 2.380 1.00 14.19 . 1 138
19
ATOM C C TYR A 19 . -12.154 16.695 0.899 1.00 13.20 . 1 139
19
ATOM O O TYR A 19 . -11.010 17.038 0.480 1.00 16.12 . 1 140
19
ATOM C CB TYR A 19 . -11.364 15.840 3.178 1.00 14.35 . 1 141
19
ATOM C CG TYR A 19 . -11.586 16.223 4.634 1.00 21.24 . 1 142
19
ATOM C CD1 TYR A 19 . -10.853 17.300 5.129 1.00 26.61 . 1 143
19
ATOM C CD2 TYR A 19 . -12.562 15.703 5.445 1.00 19.21 . 1 144
19
ATOM C CE1 TYR A 19 . -11.084 17.801 6.393 1.00 27.80 . 1 145
19
ATOM C CE2 TYR A 19 . -12.833 16.207 6.714 1.00 23.98 . 1 146
19
ATOM C CZ TYR A 19 . -12.081 17.267 7.187 1.00 34.08 . 1 147
19
ATOM O OH TYR A 19 . -12.227 17.849 8.400 1.00 37.96 . 1 148
20
ATOM N N CYS A 20 . -13.057 16.313 0.077 1.00 13.05 . 1 149
20
ATOM C CA CYS A 20 . -12.838 16.309 -1.389 1.00 18.69 . 1 150
20
ATOM C C CYS A 20 . -12.984 17.799 -1.802 1.00 19.09 . 1 151
20
ATOM O O CYS A 20 . -13.588 18.579 -1.084 1.00 19.31 . 1 152
20
ATOM C CB CYS A 20 . -13.850 15.490 -2.157 1.00 15.99 . 1 153
20
ATOM S SG CYS A 20 . -13.923 13.761 -1.584 1.00 12.90 . 1 154
21
ATOM N N ASN A 21 . -12.380 18.063 -2.909 1.00 17.63 . 1 155
21
ATOM C CA ASN A 21 . -12.404 19.399 -3.608 1.00 25.23 . 1 156
21
ATOM C C ASN A 21 . -13.642 19.696 -4.447 1.00 34.82 . 1 157
21
ATOM O O ASN A 21 . -14.146 18.703 -4.956 1.00 31.24 . 1 158
21
ATOM C CB ASN A 21 . -11.228 19.392 -4.521 1.00 19.06 . 1 159
21
ATOM C CG ASN A 21 . -10.020 20.283 -4.456 1.00 40.71 . 1 160
21
ATOM O OD1 ASN A 21 . -10.067 21.380 -5.083 1.00 68.22 . 1 161
21
ATOM N ND2 ASN A 21 . -9.004 19.667 -3.808 1.00 39.69 . 1 162
21
ATOM O OXT ASN A 21 . -13.881 20.890 -4.604 1.00 41.83 . 1 163
21
TER . . ASN A 21 . . . . . . . 1 164
22
ATOM N N PHE B 1 . -21.768 1.132 3.577 1.00 25.87 . 2 165
22
ATOM C CA PHE B 1 . -20.374 1.368 4.053 1.00 24.30 . 2 166
22
ATOM C C PHE B 1 . -20.341 1.145 5.585 1.00 39.74 . 2 167
22
ATOM O O PHE B 1 . -21.423 1.141 6.173 1.00 38.10 . 2 168
22
ATOM C CB PHE B 1 . -19.806 2.718 3.624 1.00 22.51 . 2 169
22
ATOM C CG PHE B 1 . -19.924 2.916 2.131 1.00 16.52 . 2 170
22
ATOM C CD1 PHE B 1 . -20.067 4.204 1.618 1.00 35.58 . 2 171
22
ATOM C CD2 PHE B 1 . -19.709 1.873 1.262 1.00 20.86 . 2 172
22
ATOM C CE1 PHE B 1 . -20.093 4.444 0.243 1.00 52.66 . 2 173
22
ATOM C CE2 PHE B 1 . -19.824 2.067 -0.123 1.00 51.46 . 2 174
22
ATOM C CZ PHE B 1 . -20.011 3.332 -0.631 1.00 42.63 . 2 175
23
ATOM N N VAL B 2 . -19.104 0.899 6.027 1.00 21.12 . 2 176
23
ATOM C CA VAL B 2 . -18.754 0.598 7.406 1.00 36.74 . 2 177
23
ATOM C C VAL B 2 . -17.780 1.656 7.965 1.00 23.52 . 2 178
23
ATOM O O VAL B 2 . -17.104 2.328 7.197 1.00 19.56 . 2 179
23
ATOM C CB VAL B 2 . -18.048 -0.765 7.638 1.00 30.58 . 2 180
23
ATOM C CG1 VAL B 2 . -18.993 -1.953 7.609 1.00 25.73 . 2 181
23
ATOM C CG2 VAL B 2 . -16.776 -0.916 6.799 1.00 22.31 . 2 182
24
ATOM N N ASN B 3 . -17.741 1.753 9.278 1.00 13.38 . 2 183
24
ATOM C CA ASN B 3 . -16.872 2.691 9.950 1.00 13.94 . 2 184
24
ATOM C C ASN B 3 . -15.457 2.100 9.881 1.00 15.03 . 2 185
24
ATOM O O ASN B 3 . -15.312 0.857 9.926 1.00 24.85 . 2 186
24
ATOM C CB ASN B 3 . -17.272 3.010 11.382 1.00 25.01 . 2 187
24
ATOM C CG ASN B 3 . -18.513 3.844 11.511 1.00 49.04 . 2 188
24
ATOM O OD1 ASN B 3 . -18.658 4.774 10.724 1.00 34.50 . 2 189
24
ATOM N ND2 ASN B 3 . -19.333 3.415 12.473 1.00 35.00 . 2 190
25
ATOM N N GLN B 4 . -14.509 3.031 9.767 1.00 12.52 2 2 191
25
ATOM C CA GLN B 4 . -13.137 2.542 9.571 1.00 22.69 2 2 192
25
ATOM C C GLN B 4 . -12.213 3.224 10.580 1.00 13.29 2 2 193
25
ATOM O O GLN B 4 . -12.347 4.333 11.118 1.00 20.53 2 2 194
25
ATOM C CB GLN B 4 . -12.666 2.760 8.116 1.00 39.18 2 2 195
25
ATOM C CG GLN B 4 A -13.007 1.731 7.035 0.60 11.45 2 2 196
25
ATOM C CG GLN B 4 B -12.978 1.763 6.996 0.40 37.30 2 2 197
25
ATOM C CD GLN B 4 A -12.270 0.520 6.830 0.60 12.42 2 2 198
25
ATOM C CD GLN B 4 B -14.070 2.781 6.746 0.40 32.97 2 2 199
25
ATOM O OE1 GLN B 4 A -12.812 -0.612 6.494 0.60 17.67 2 2 200
25
ATOM O OE1 GLN B 4 B -14.059 3.957 7.112 0.40 40.00 2 2 201
25
ATOM N NE2 GLN B 4 A -10.898 0.624 6.949 0.60 28.94 2 2 202
25
ATOM N NE2 GLN B 4 B -15.108 2.179 6.165 0.40 35.67 2 2 203
26
ATOM N N HIS B 5 . -11.158 2.442 10.837 1.00 13.02 1 2 204
26
ATOM C CA HIS B 5 . -10.083 3.000 11.779 1.00 17.05 1 2 205
26
ATOM C C HIS B 5 . -8.855 3.149 10.899 1.00 10.95 1 2 206
26
ATOM O O HIS B 5 . -8.284 2.166 10.380 1.00 17.14 1 2 207
26
ATOM C CB HIS B 5 . -9.982 1.956 12.877 1.00 22.24 1 2 208
26
ATOM C CG HIS B 5 . -8.934 2.400 13.860 1.00 25.74 1 2 209
26
ATOM N ND1 HIS B 5 . -8.072 1.535 14.436 1.00 35.32 1 2 210
26
ATOM C CD2 HIS B 5 . -8.637 3.596 14.329 1.00 28.02 1 2 211
26
ATOM C CE1 HIS B 5 . -7.275 2.240 15.211 1.00 28.73 1 2 212
26
ATOM N NE2 HIS B 5 . -7.571 3.509 15.150 1.00 30.21 1 2 213
27
ATOM N N LEU B 6 . -8.529 4.400 10.604 1.00 11.30 . 2 214
27
ATOM C CA LEU B 6 . -7.468 4.709 9.611 1.00 11.13 . 2 215
27
ATOM C C LEU B 6 . -6.399 5.604 10.158 1.00 11.03 . 2 216
27
ATOM O O LEU B 6 . -6.695 6.779 10.484 1.00 13.66 . 2 217
27
ATOM C CB LEU B 6 . -8.231 5.398 8.411 1.00 14.13 . 2 218
27
ATOM C CG LEU B 6 . -9.251 4.634 7.563 1.00 13.39 . 2 219
27
ATOM C CD1 LEU B 6 . -10.017 5.598 6.671 1.00 14.70 . 2 220
27
ATOM C CD2 LEU B 6 . -8.620 3.517 6.767 1.00 18.25 . 2 221
28
ATOM N N CYS B 7 . -5.180 5.069 10.115 1.00 10.06 . 2 222
28
ATOM C CA CYS B 7 . -4.058 5.835 10.569 1.00 10.70 . 2 223
28
ATOM C C CYS B 7 . -3.033 5.982 9.484 1.00 13.26 . 2 224
28
ATOM O O CYS B 7 . -2.955 5.198 8.573 1.00 19.10 . 2 225
28
ATOM C CB CYS B 7 . -3.434 5.105 11.762 1.00 15.88 . 2 226
28
ATOM S SG CYS B 7 . -4.523 5.099 13.246 1.00 16.40 . 2 227
29
ATOM N N GLY B 8 . -2.181 6.993 9.540 1.00 12.37 . 2 228
29
ATOM C CA GLY B 8 . -1.070 7.261 8.632 1.00 12.72 . 2 229
29
ATOM C C GLY B 8 . -1.465 7.317 7.204 1.00 13.24 . 2 230
29
ATOM O O GLY B 8 . -2.470 7.884 6.744 1.00 11.92 . 2 231
30
ATOM N N SER B 9 . -0.609 6.582 6.429 1.00 11.74 . 2 232
30
ATOM C CA SER B 9 . -0.863 6.544 4.980 1.00 15.89 . 2 233
30
ATOM C C SER B 9 . -2.183 5.870 4.578 1.00 9.73 . 2 234
30
ATOM O O SER B 9 . -2.649 6.111 3.528 1.00 10.43 . 2 235
30
ATOM C CB SER B 9 . 0.309 5.921 4.206 1.00 17.74 . 2 236
30
ATOM O OG SER B 9 . 0.534 4.626 4.735 1.00 17.37 . 2 237
31
ATOM N N HIS B 10 . -2.721 5.100 5.451 1.00 10.19 . 2 238
31
ATOM C CA HIS B 10 . -3.940 4.379 5.188 1.00 7.66 . 2 239
31
ATOM C C HIS B 10 . -5.081 5.431 5.075 1.00 10.17 . 2 240
31
ATOM O O HIS B 10 . -6.021 5.163 4.291 1.00 10.92 . 2 241
31
ATOM C CB HIS B 10 . -4.234 3.316 6.228 1.00 9.55 . 2 242
31
ATOM C CG HIS B 10 . -3.192 2.269 6.364 1.00 9.55 . 2 243
31
ATOM N ND1 HIS B 10 . -3.043 1.310 5.423 1.00 15.86 . 2 244
31
ATOM C CD2 HIS B 10 . -2.289 1.991 7.311 1.00 8.47 . 2 245
31
ATOM C CE1 HIS B 10 . -2.078 0.573 5.774 1.00 10.65 . 2 246
31
ATOM N NE2 HIS B 10 . -1.589 0.939 6.878 1.00 9.41 . 2 247
32
ATOM N N LEU B 11 . -5.016 6.497 5.810 1.00 8.93 . 2 248
32
ATOM C CA LEU B 11 . -6.071 7.518 5.617 1.00 9.64 . 2 249
32
ATOM C C LEU B 11 . -5.967 8.182 4.279 1.00 7.89 . 2 250
32
ATOM O O LEU B 11 . -6.969 8.462 3.666 1.00 9.74 . 2 251
32
ATOM C CB LEU B 11 . -5.860 8.541 6.740 1.00 6.93 . 2 252
32
ATOM C CG LEU B 11 . -6.949 9.607 6.783 1.00 14.50 . 2 253
32
ATOM C CD1 LEU B 11 . -8.376 9.229 6.627 1.00 18.34 . 2 254
32
ATOM C CD2 LEU B 11 . -6.742 10.309 8.115 1.00 20.70 . 2 255
33
ATOM N N VAL B 12 . -4.751 8.449 3.799 1.00 10.12 2 2 256
33
ATOM C CA VAL B 12 . -4.579 9.057 2.495 1.00 8.05 2 2 257
33
ATOM C C VAL B 12 . -5.050 8.131 1.372 1.00 8.14 2 2 258
33
ATOM O O VAL B 12 . -5.595 8.653 0.398 1.00 11.63 2 2 259
33
ATOM C CB VAL B 12 . -3.153 9.538 2.230 1.00 11.54 2 2 260
33
ATOM C CG1 VAL B 12 . -2.809 10.670 3.148 1.00 17.75 2 2 261
33
ATOM C CG2 VAL B 12 A -2.822 9.786 0.799 0.50 4.68 2 2 262
33
ATOM C CG2 VAL B 12 B -1.963 8.655 2.123 0.50 10.87 2 2 263
34
ATOM N N GLU B 13 . -4.906 6.880 1.502 1.00 6.12 . 2 264
34
ATOM C CA GLU B 13 . -5.432 5.946 0.542 1.00 8.88 . 2 265
34
ATOM C C GLU B 13 . -6.966 6.014 0.472 1.00 12.22 . 2 266
34
ATOM O O GLU B 13 . -7.578 6.035 -0.614 1.00 11.15 . 2 267
34
ATOM C CB GLU B 13 . -4.996 4.506 0.854 1.00 12.65 . 2 268
34
ATOM C CG GLU B 13 . -3.497 4.444 0.582 1.00 15.60 . 2 269
34
ATOM C CD GLU B 13 . -3.246 3.857 -0.794 1.00 53.85 . 2 270
34
ATOM O OE1 GLU B 13 . -4.238 3.643 -1.500 1.00 33.68 . 2 271
34
ATOM O OE2 GLU B 13 . -2.114 3.611 -1.126 1.00 47.24 . 2 272
35
ATOM N N ALA B 14 . -7.659 6.004 1.637 1.00 7.15 . 2 273
35
ATOM C CA ALA B 14 . -9.061 6.164 1.719 1.00 7.29 . 2 274
35
ATOM C C ALA B 14 . -9.563 7.482 1.051 1.00 6.80 . 2 275
35
ATOM O O ALA B 14 . -10.595 7.468 0.346 1.00 11.10 . 2 276
35
ATOM C CB ALA B 14 . -9.604 6.039 3.106 1.00 12.06 . 2 277
36
ATOM N N LEU B 15 . -8.876 8.580 1.321 1.00 6.72 . 2 278
36
ATOM C CA LEU B 15 . -9.224 9.854 0.717 1.00 13.51 . 2 279
36
ATOM C C LEU B 15 . -9.111 9.815 -0.829 1.00 14.62 . 2 280
36
ATOM O O LEU B 15 . -9.956 10.390 -1.496 1.00 12.32 . 2 281
36
ATOM C CB LEU B 15 . -8.317 10.981 1.327 1.00 9.71 . 2 282
36
ATOM C CG LEU B 15 . -8.755 11.581 2.649 1.00 8.92 . 2 283
36
ATOM C CD1 LEU B 15 . -7.682 12.475 3.236 1.00 14.49 . 2 284
36
ATOM C CD2 LEU B 15 . -10.096 12.235 2.460 1.00 12.03 . 2 285
37
ATOM N N TYR B 16 . -8.050 9.147 -1.297 1.00 8.65 . 2 286
37
ATOM C CA TYR B 16 . -7.838 8.961 -2.686 1.00 8.75 . 2 287
37
ATOM C C TYR B 16 . -8.999 8.175 -3.284 1.00 11.14 . 2 288
37
ATOM O O TYR B 16 . -9.508 8.504 -4.371 1.00 14.34 . 2 289
37
ATOM C CB TYR B 16 . -6.494 8.247 -3.047 1.00 7.72 . 2 290
37
ATOM C CG TYR B 16 . -6.271 8.027 -4.522 1.00 10.81 . 2 291
37
ATOM C CD1 TYR B 16 . -6.450 6.784 -5.047 1.00 17.09 . 2 292
37
ATOM C CD2 TYR B 16 . -6.009 9.104 -5.338 1.00 12.64 . 2 293
37
ATOM C CE1 TYR B 16 . -6.354 6.581 -6.467 1.00 17.76 . 2 294
37
ATOM C CE2 TYR B 16 . -5.898 8.958 -6.741 1.00 13.94 . 2 295
37
ATOM C CZ TYR B 16 . -6.110 7.692 -7.259 1.00 17.34 . 2 296
37
ATOM O OH TYR B 16 . -5.925 7.520 -8.594 1.00 25.34 . 2 297
38
ATOM N N LEU B 17 . -9.428 7.109 -2.664 1.00 8.68 . 2 298
38
ATOM C CA LEU B 17 . -10.566 6.290 -3.167 1.00 8.83 . 2 299
38
ATOM C C LEU B 17 . -11.861 7.087 -3.142 1.00 10.95 . 2 300
38
ATOM O O LEU B 17 . -12.650 7.046 -4.073 1.00 15.67 . 2 301
38
ATOM C CB LEU B 17 . -10.665 5.052 -2.327 1.00 10.82 . 2 302
38
ATOM C CG LEU B 17 . -9.594 4.104 -2.924 1.00 28.76 . 2 303
38
ATOM C CD1 LEU B 17 . -9.136 3.067 -1.933 1.00 30.52 . 2 304
38
ATOM C CD2 LEU B 17 . -10.280 3.540 -4.157 1.00 34.91 . 2 305
39
ATOM N N VAL B 18 . -12.123 7.786 -2.036 1.00 8.85 . 2 306
39
ATOM C CA VAL B 18 . -13.351 8.545 -1.933 1.00 8.77 . 2 307
39
ATOM C C VAL B 18 . -13.433 9.713 -2.873 1.00 9.77 . 2 308
39
ATOM O O VAL B 18 . -14.472 9.937 -3.457 1.00 16.86 . 2 309
39
ATOM C CB VAL B 18 . -13.604 8.974 -0.463 1.00 14.39 . 2 310
39
ATOM C CG1 VAL B 18 . -14.784 9.899 -0.282 1.00 11.72 . 2 311
39
ATOM C CG2 VAL B 18 . -13.862 7.763 0.393 1.00 12.58 . 2 312
40
ATOM N N CYS B 19 . -12.422 10.518 -2.958 1.00 9.03 . 2 313
40
ATOM C CA CYS B 19 . -12.433 11.758 -3.756 1.00 8.88 . 2 314
40
ATOM C C CYS B 19 . -11.994 11.555 -5.212 1.00 14.69 . 2 315
40
ATOM O O CYS B 19 . -12.410 12.303 -6.126 1.00 16.46 . 2 316
40
ATOM C CB CYS B 19 . -11.558 12.719 -3.005 1.00 11.19 . 2 317
40
ATOM S SG CYS B 19 . -12.040 13.127 -1.344 1.00 10.10 . 2 318
41
ATOM N N GLY B 20 . -11.149 10.609 -5.463 1.00 17.12 . 2 319
41
ATOM C CA GLY B 20 . -10.685 10.359 -6.851 1.00 21.59 . 2 320
41
ATOM C C GLY B 20 . -10.275 11.650 -7.524 1.00 21.38 . 2 321
41
ATOM O O GLY B 20 . -9.494 12.483 -7.053 1.00 20.41 . 2 322
42
ATOM N N GLU B 21 . -10.784 11.844 -8.710 1.00 29.76 2 2 323
42
ATOM C CA GLU B 21 . -10.398 13.043 -9.501 1.00 24.44 2 2 324
42
ATOM C C GLU B 21 . -10.898 14.356 -9.065 1.00 19.21 2 2 325
42
ATOM O O GLU B 21 . -10.430 15.331 -9.665 1.00 19.00 2 2 326
42
ATOM C CB GLU B 21 . -10.776 12.724 -10.968 1.00 28.66 2 2 327
42
ATOM C CG GLU B 21 A -12.310 12.519 -11.045 0.50 56.11 2 2 328
42
ATOM C CG GLU B 21 B -9.804 13.415 -11.966 0.50 75.35 2 2 329
42
ATOM C CD GLU B 21 A -12.707 11.349 -11.901 0.50 62.47 2 2 330
42
ATOM C CD GLU B 21 B -9.689 13.292 -13.466 0.50 52.68 2 2 331
42
ATOM O OE1 GLU B 21 A -12.515 10.193 -11.564 0.50 48.34 2 2 332
42
ATOM O OE1 GLU B 21 B -10.540 12.768 -14.159 0.50 50.28 2 2 333
42
ATOM O OE2 GLU B 21 A -13.225 11.772 -12.958 0.50 49.92 2 2 334
42
ATOM O OE2 GLU B 21 B -8.505 13.537 -13.781 0.50 27.33 2 2 335
43
ATOM N N ARG B 22 . -11.703 14.491 -8.034 1.00 15.49 2 2 336
43
ATOM C CA ARG B 22 . -12.089 15.732 -7.456 1.00 16.44 2 2 337
43
ATOM C C ARG B 22 . -10.797 16.222 -6.745 1.00 17.70 2 2 338
43
ATOM O O ARG B 22 . -10.636 17.458 -6.608 1.00 21.36 2 2 339
43
ATOM C CB ARG B 22 . -13.234 15.678 -6.464 1.00 21.99 2 2 340
43
ATOM C CG ARG B 22 . -14.645 15.427 -7.037 1.00 57.89 2 2 341
43
ATOM C CD ARG B 22 . -15.675 15.167 -5.960 1.00 31.23 2 2 342
43
ATOM N NE ARG B 22 A -15.739 16.404 -5.124 0.50 16.46 2 2 343
43
ATOM N NE ARG B 22 B -15.629 13.808 -5.271 0.50 17.69 2 2 344
43
ATOM C CZ ARG B 22 A -16.608 16.581 -4.143 0.50 39.57 2 2 345
43
ATOM C CZ ARG B 22 B -16.379 13.225 -4.283 0.50 33.09 2 2 346
43
ATOM N NH1 ARG B 22 A -16.743 17.672 -3.416 0.50 20.14 2 2 347
43
ATOM N NH1 ARG B 22 B -16.987 14.046 -3.392 0.50 51.50 2 2 348
43
ATOM N NH2 ARG B 22 A -17.405 15.551 -3.871 0.50 35.40 2 2 349
43
ATOM N NH2 ARG B 22 B -16.705 11.943 -4.184 0.50 19.59 2 2 350
44
ATOM N N GLY B 23 . -10.007 15.246 -6.287 1.00 19.18 . 2 351
44
ATOM C CA GLY B 23 . -8.844 15.673 -5.491 1.00 11.89 . 2 352
44
ATOM C C GLY B 23 . -9.339 15.932 -4.075 1.00 12.83 . 2 353
44
ATOM O O GLY B 23 . -10.524 15.922 -3.626 1.00 14.47 . 2 354
45
ATOM N N PHE B 24 . -8.343 16.165 -3.187 1.00 12.54 . 2 355
45
ATOM C CA PHE B 24 . -8.584 16.432 -1.765 1.00 10.08 . 2 356
45
ATOM C C PHE B 24 . -7.488 17.220 -1.123 1.00 10.77 . 2 357
45
ATOM O O PHE B 24 . -6.411 17.409 -1.657 1.00 10.93 . 2 358
45
ATOM C CB PHE B 24 . -8.754 15.111 -1.032 1.00 3.80 . 2 359
45
ATOM C CG PHE B 24 . -7.638 14.114 -1.034 1.00 5.98 . 2 360
45
ATOM C CD1 PHE B 24 . -7.488 13.202 -2.069 1.00 5.61 . 2 361
45
ATOM C CD2 PHE B 24 . -6.667 14.205 -0.036 1.00 8.93 . 2 362
45
ATOM C CE1 PHE B 24 . -6.375 12.338 -2.106 1.00 14.64 . 2 363
45
ATOM C CE2 PHE B 24 . -5.573 13.387 0.027 1.00 11.74 . 2 364
45
ATOM C CZ PHE B 24 . -5.457 12.470 -1.008 1.00 9.78 . 2 365
46
ATOM N N PHE B 25 . -7.717 17.612 0.116 1.00 14.20 1 2 366
46
ATOM C CA PHE B 25 . -6.813 18.302 1.052 1.00 12.03 1 2 367
46
ATOM C C PHE B 25 . -6.569 17.356 2.221 1.00 12.69 1 2 368
46
ATOM O O PHE B 25 . -7.485 16.788 2.757 1.00 15.22 1 2 369
46
ATOM C CB PHE B 25 . -7.387 19.633 1.684 1.00 17.25 1 2 370
46
ATOM C CG PHE B 25 . -7.105 20.689 0.637 1.00 30.38 1 2 371
46
ATOM C CD1 PHE B 25 . -7.842 20.802 -0.543 1.00 61.20 1 2 372
46
ATOM C CD2 PHE B 25 . -6.003 21.541 0.896 1.00 56.90 1 2 373
46
ATOM C CE1 PHE B 25 . -7.445 21.790 -1.461 1.00 29.52 1 2 374
46
ATOM C CE2 PHE B 25 . -5.648 22.564 -0.027 1.00 40.31 1 2 375
46
ATOM C CZ PHE B 25 . -6.382 22.681 -1.235 1.00 30.38 1 2 376
47
ATOM N N TYR B 26 . -5.345 17.202 2.583 1.00 11.25 . 2 377
47
ATOM C CA TYR B 26 . -4.996 16.333 3.717 1.00 10.42 . 2 378
47
ATOM C C TYR B 26 . -4.445 17.350 4.714 1.00 15.08 . 2 379
47
ATOM O O TYR B 26 . -3.350 17.906 4.518 1.00 14.52 . 2 380
47
ATOM C CB TYR B 26 . -3.949 15.288 3.319 1.00 9.51 . 2 381
47
ATOM C CG TYR B 26 . -3.404 14.530 4.474 1.00 12.61 . 2 382
47
ATOM C CD1 TYR B 26 . -4.243 13.688 5.178 1.00 20.50 . 2 383
47
ATOM C CD2 TYR B 26 . -2.105 14.676 4.857 1.00 13.88 . 2 384
47
ATOM C CE1 TYR B 26 . -3.652 12.967 6.246 1.00 16.38 . 2 385
47
ATOM C CE2 TYR B 26 . -1.577 14.010 5.941 1.00 10.97 . 2 386
47
ATOM C CZ TYR B 26 . -2.347 13.149 6.642 1.00 11.71 . 2 387
47
ATOM O OH TYR B 26 . -1.853 12.447 7.734 1.00 16.39 . 2 388
48
ATOM N N THR B 27 . -5.287 17.537 5.752 1.00 15.47 . 2 389
48
ATOM C CA THR B 27 . -4.902 18.555 6.772 1.00 20.05 . 2 390
48
ATOM C C THR B 27 . -4.834 18.053 8.250 1.00 15.09 . 2 391
48
ATOM O O THR B 27 . -5.825 18.282 8.943 1.00 22.56 . 2 392
48
ATOM C CB THR B 27 . -5.856 19.825 6.753 1.00 26.34 . 2 393
48
ATOM O OG1 THR B 27 A -7.228 19.328 6.558 0.50 39.91 . 2 394
48
ATOM O OG1 THR B 27 B -5.691 20.478 5.511 0.50 29.43 . 2 395
48
ATOM C CG2 THR B 27 A -5.505 20.781 5.606 0.50 34.53 . 2 396
48
ATOM C CG2 THR B 27 B -5.413 20.850 7.858 0.50 34.13 . 2 397
49
ATOM N N PRO B 28 . -3.702 17.548 8.603 1.00 18.26 . 2 398
49
ATOM C CA PRO B 28 . -3.494 17.055 9.954 1.00 21.56 . 2 399
49
ATOM C C PRO B 28 . -3.306 18.220 10.892 1.00 22.68 . 2 400
49
ATOM O O PRO B 28 . -3.072 19.330 10.484 1.00 21.93 . 2 401
49
ATOM C CB PRO B 28 . -2.249 16.209 9.808 1.00 21.60 . 2 402
49
ATOM C CG PRO B 28 . -1.544 16.617 8.595 1.00 21.39 . 2 403
49
ATOM C CD PRO B 28 . -2.526 17.320 7.778 1.00 14.32 . 2 404
50
ATOM N N LYS B 29 . -3.452 17.975 12.175 1.00 26.27 . 2 405
50
ATOM C CA LYS B 29 . -3.227 18.941 13.307 1.00 23.17 . 2 406
50
ATOM C C LYS B 29 . -1.707 18.995 13.459 1.00 52.81 . 2 407
50
ATOM O O LYS B 29 . -1.026 17.919 13.406 1.00 39.37 . 2 408
50
ATOM C CB LYS B 29 . -3.764 18.417 14.615 1.00 22.26 . 2 409
50
ATOM C CG LYS B 29 . -3.990 19.385 15.801 1.00 48.01 . 2 410
50
ATOM C CD LYS B 29 . -5.153 18.811 16.622 1.00 37.36 . 2 411
50
ATOM C CE LYS B 29 . -5.067 18.493 18.087 1.00 53.09 . 2 412
50
ATOM N NZ LYS B 29 . -4.208 19.418 18.841 1.00 61.16 . 2 413
51
ATOM N N ALA B 30 . -1.166 20.052 13.779 1.00 53.30 3 2 414
51
ATOM C CA ALA B 30 . 0.148 20.539 13.902 1.00 45.30 3 2 415
51
ATOM C C ALA B 30 . 0.991 20.467 15.167 1.00 50.30 3 2 416
51
ATOM O O ALA B 30 . 0.427 20.710 16.268 1.00 62.63 3 2 417
51
ATOM C CB ALA B 30 . 0.033 22.113 13.690 1.00 53.30 3 2 418
51
ATOM O OXT ALA B 30 . 2.226 20.205 15.000 1.00 76.30 3 2 419
51
TER . . ALA B 30 . . . . . . . 2 420
1
ATOM N N GLY C 1 . -0.643 19.956 -14.073 1.00 26.16 1 1 421
1
ATOM C CA GLY C 1 . -0.389 20.033 -12.615 1.00 30.96 1 1 422
1
ATOM C C GLY C 1 . 0.447 18.825 -12.180 1.00 33.76 1 1 423
1
ATOM O O GLY C 1 . 1.216 18.311 -13.006 1.00 21.35 1 1 424
2
ATOM N N ILE C 2 . 0.244 18.434 -10.942 1.00 23.96 1 1 425
2
ATOM C CA ILE C 2 . 1.003 17.290 -10.393 1.00 15.36 1 1 426
2
ATOM C C ILE C 2 . 0.946 16.025 -11.185 1.00 13.59 1 1 427
2
ATOM O O ILE C 2 . 1.971 15.359 -11.278 1.00 17.19 1 1 428
2
ATOM C CB ILE C 2 . 0.491 17.013 -8.931 1.00 16.47 1 1 429
2
ATOM C CG1 ILE C 2 . 1.539 16.143 -8.164 1.00 15.91 1 1 430
2
ATOM C CG2 ILE C 2 . -0.969 16.533 -8.863 1.00 17.06 1 1 431
2
ATOM C CD1 ILE C 2 . 1.081 15.828 -6.720 1.00 19.56 1 1 432
3
ATOM N N VAL C 3 . -0.179 15.655 -11.786 1.00 13.55 1 1 433
3
ATOM C CA VAL C 3 . -0.278 14.455 -12.591 1.00 17.58 1 1 434
3
ATOM C C VAL C 3 . 0.590 14.454 -13.881 1.00 21.18 1 1 435
3
ATOM O O VAL C 3 . 1.245 13.451 -14.197 1.00 19.26 1 1 436
3
ATOM C CB VAL C 3 . -1.709 14.136 -12.915 1.00 26.49 1 1 437
3
ATOM C CG1 VAL C 3 . -1.808 12.868 -13.745 1.00 30.71 1 1 438
3
ATOM C CG2 VAL C 3 . -2.567 13.989 -11.662 1.00 16.85 1 1 439
4
ATOM N N GLU C 4 . 0.621 15.590 -14.497 1.00 24.23 1 1 440
4
ATOM C CA GLU C 4 . 1.481 15.743 -15.686 1.00 23.06 1 1 441
4
ATOM C C GLU C 4 . 2.966 15.744 -15.343 1.00 19.78 1 1 442
4
ATOM O O GLU C 4 . 3.805 15.198 -16.061 1.00 29.30 1 1 443
4
ATOM C CB GLU C 4 . 1.063 17.059 -16.361 1.00 24.43 1 1 444
4
ATOM C CG GLU C 4 . -0.349 16.900 -16.964 1.00 19.87 1 1 445
4
ATOM C CD GLU C 4 . -1.541 17.024 -16.030 1.00 27.93 1 1 446
4
ATOM O OE1 GLU C 4 . -2.429 16.169 -16.211 1.00 37.08 1 1 447
4
ATOM O OE2 GLU C 4 . -1.527 17.967 -15.181 1.00 27.92 1 1 448
5
ATOM N N GLN C 5 . 3.289 16.386 -14.236 1.00 17.90 1 1 449
5
ATOM C CA GLN C 5 . 4.695 16.445 -13.800 1.00 17.90 1 1 450
5
ATOM C C GLN C 5 . 5.206 15.104 -13.307 1.00 23.62 1 1 451
5
ATOM O O GLN C 5 . 6.331 14.684 -13.578 1.00 26.25 1 1 452
5
ATOM C CB GLN C 5 . 4.820 17.553 -12.780 1.00 22.64 1 1 453
5
ATOM C CG GLN C 5 . 4.373 18.969 -13.199 1.00 32.56 1 1 454
5
ATOM C CD GLN C 5 . 5.405 19.755 -12.404 1.00 59.85 1 1 455
5
ATOM O OE1 GLN C 5 . 6.478 19.979 -12.947 1.00 50.22 1 1 456
5
ATOM N NE2 GLN C 5 . 4.976 19.940 -11.148 1.00 56.46 1 1 457
6
ATOM N N CYS C 6 . 4.386 14.408 -12.514 1.00 20.45 . 1 458
6
ATOM C CA CYS C 6 . 4.949 13.166 -11.921 1.00 20.95 . 1 459
6
ATOM C C CYS C 6 . 4.472 11.875 -12.436 1.00 18.67 . 1 460
6
ATOM O O CYS C 6 . 5.127 10.851 -12.293 1.00 17.98 . 1 461
6
ATOM C CB CYS C 6 . 4.732 13.264 -10.354 1.00 16.76 . 1 462
6
ATOM S SG CYS C 6 . 5.416 14.719 -9.509 1.00 20.00 . 1 463
7
ATOM N N CYS C 7 . 3.347 11.802 -13.063 1.00 15.93 . 1 464
7
ATOM C CA CYS C 7 . 2.858 10.515 -13.612 1.00 10.31 . 1 465
7
ATOM C C CYS C 7 . 3.090 10.422 -15.112 1.00 27.34 . 1 466
7
ATOM O O CYS C 7 . 3.601 9.455 -15.603 1.00 24.77 . 1 467
7
ATOM C CB CYS C 7 . 1.348 10.332 -13.329 1.00 17.60 . 1 468
7
ATOM S SG CYS C 7 . 0.602 8.899 -13.976 1.00 19.30 . 1 469
8
ATOM N N THR C 8 . 2.691 11.395 -15.898 1.00 22.31 . 1 470
8
ATOM C CA THR C 8 . 2.912 11.356 -17.382 1.00 20.22 . 1 471
8
ATOM C C THR C 8 . 4.408 11.508 -17.641 1.00 29.24 . 1 472
8
ATOM O O THR C 8 . 5.051 10.716 -18.357 1.00 25.27 . 1 473
8
ATOM C CB THR C 8 . 1.993 12.487 -17.997 1.00 28.76 . 1 474
8
ATOM O OG1 THR C 8 . 0.590 12.071 -17.868 1.00 41.93 . 1 475
8
ATOM C CG2 THR C 8 . 2.536 12.795 -19.370 1.00 39.10 . 1 476
9
ATOM N N SER C 9 . 4.957 12.549 -16.969 1.00 23.04 . 1 477
9
ATOM C CA SER C 9 . 6.438 12.783 -17.031 1.00 23.81 . 1 478
9
ATOM C C SER C 9 . 7.038 12.104 -15.796 1.00 22.97 . 1 479
9
ATOM O O SER C 9 . 6.505 11.080 -15.351 1.00 28.36 . 1 480
9
ATOM C CB SER C 9 . 6.838 14.249 -17.258 1.00 22.96 . 1 481
9
ATOM O OG SER C 9 . 8.266 14.523 -17.319 1.00 30.96 . 1 482
10
ATOM N N ILE C 10 . 8.157 12.532 -15.274 1.00 18.48 . 1 483
10
ATOM C CA ILE C 10 . 8.820 12.068 -14.116 1.00 14.18 . 1 484
10
ATOM C C ILE C 10 . 9.162 13.268 -13.217 1.00 22.06 . 1 485
10
ATOM O O ILE C 10 . 9.398 14.336 -13.807 1.00 21.37 . 1 486
10
ATOM C CB ILE C 10 . 10.082 11.219 -14.296 1.00 14.27 . 1 487
10
ATOM C CG1 ILE C 10 . 11.168 12.058 -14.941 1.00 17.05 . 1 488
10
ATOM C CG2 ILE C 10 . 9.771 9.901 -15.075 1.00 23.12 . 1 489
10
ATOM C CD1 ILE C 10 . 12.447 11.250 -15.181 1.00 28.86 . 1 490
11
ATOM N N CYS C 11 . 9.158 13.001 -11.897 1.00 17.73 . 1 491
11
ATOM C CA CYS C 11 . 9.488 14.178 -11.063 1.00 13.63 . 1 492
11
ATOM C C CYS C 11 . 10.301 13.733 -9.869 1.00 24.12 . 1 493
11
ATOM O O CYS C 11 . 10.238 12.518 -9.595 1.00 27.63 . 1 494
11
ATOM C CB CYS C 11 . 8.284 14.934 -10.501 1.00 24.47 . 1 495
11
ATOM S SG CYS C 11 . 7.324 13.971 -9.301 1.00 22.60 . 1 496
12
ATOM N N SER C 12 . 10.941 14.682 -9.241 1.00 20.64 . 1 497
12
ATOM C CA SER C 12 . 11.739 14.434 -8.095 1.00 19.89 . 1 498
12
ATOM C C SER C 12 . 10.978 14.612 -6.784 1.00 26.49 . 1 499
12
ATOM O O SER C 12 . 9.925 15.241 -6.843 1.00 17.94 . 1 500
12
ATOM C CB SER C 12 . 12.896 15.478 -7.911 1.00 22.13 . 1 501
12
ATOM O OG SER C 12 . 12.280 16.737 -7.889 1.00 25.55 . 1 502
13
ATOM N N LEU C 13 . 11.522 14.165 -5.654 1.00 20.92 . 1 503
13
ATOM C CA LEU C 13 . 10.827 14.392 -4.422 1.00 18.59 . 1 504
13
ATOM C C LEU C 13 . 10.811 15.860 -4.099 1.00 17.62 . 1 505
13
ATOM O O LEU C 13 . 9.865 16.311 -3.427 1.00 17.56 . 1 506
13
ATOM C CB LEU C 13 . 11.451 13.616 -3.261 1.00 24.54 . 1 507
13
ATOM C CG LEU C 13 . 11.620 12.137 -3.475 1.00 37.60 . 1 508
13
ATOM C CD1 LEU C 13 . 12.386 11.586 -2.273 1.00 42.94 . 1 509
13
ATOM C CD2 LEU C 13 . 10.209 11.562 -3.628 1.00 33.13 . 1 510
14
ATOM N N TYR C 14 . 11.756 16.642 -4.538 1.00 19.39 . 1 511
14
ATOM C CA TYR C 14 . 11.756 18.053 -4.253 1.00 15.81 . 1 512
14
ATOM C C TYR C 14 . 10.632 18.665 -4.977 1.00 16.49 . 1 513
14
ATOM O O TYR C 14 . 10.098 19.673 -4.517 1.00 24.31 . 1 514
14
ATOM C CB TYR C 14 . 13.061 18.792 -4.698 1.00 23.42 . 1 515
14
ATOM C CG TYR C 14 . 14.244 18.334 -3.884 1.00 22.68 . 1 516
14
ATOM C CD1 TYR C 14 . 14.406 18.926 -2.643 1.00 37.43 . 1 517
14
ATOM C CD2 TYR C 14 . 15.065 17.294 -4.321 1.00 44.52 . 1 518
14
ATOM C CE1 TYR C 14 . 15.469 18.455 -1.806 1.00 35.18 . 1 519
14
ATOM C CE2 TYR C 14 . 16.138 16.837 -3.558 1.00 39.13 . 1 520
14
ATOM C CZ TYR C 14 . 16.305 17.440 -2.304 1.00 43.24 . 1 521
14
ATOM O OH TYR C 14 . 17.325 17.067 -1.472 1.00 40.09 . 1 522
15
ATOM N N GLN C 15 . 10.286 18.189 -6.156 1.00 16.44 . 1 523
15
ATOM C CA GLN C 15 . 9.175 18.706 -6.908 1.00 13.87 . 1 524
15
ATOM C C GLN C 15 . 7.940 18.402 -6.108 1.00 16.45 . 1 525
15
ATOM O O GLN C 15 . 7.042 19.228 -6.047 1.00 17.74 . 1 526
15
ATOM C CB GLN C 15 . 9.021 18.202 -8.378 1.00 19.83 . 1 527
15
ATOM C CG GLN C 15 . 10.045 18.695 -9.368 1.00 27.50 . 1 528
15
ATOM C CD GLN C 15 . 10.002 18.165 -10.771 1.00 46.46 . 1 529
15
ATOM O OE1 GLN C 15 . 10.459 17.057 -11.040 1.00 43.32 . 1 530
15
ATOM N NE2 GLN C 15 . 9.456 18.889 -11.761 1.00 35.38 . 1 531
16
ATOM N N LEU C 16 . 7.841 17.245 -5.491 1.00 18.47 . 1 532
16
ATOM C CA LEU C 16 . 6.580 16.984 -4.783 1.00 17.18 . 1 533
16
ATOM C C LEU C 16 . 6.311 17.904 -3.587 1.00 21.36 . 1 534
16
ATOM O O LEU C 16 . 5.195 18.069 -3.079 1.00 17.34 . 1 535
16
ATOM C CB LEU C 16 . 6.542 15.527 -4.227 1.00 17.15 . 1 536
16
ATOM C CG LEU C 16 . 6.500 14.520 -5.341 1.00 17.53 . 1 537
16
ATOM C CD1 LEU C 16 . 6.477 13.227 -4.593 1.00 22.82 . 1 538
16
ATOM C CD2 LEU C 16 . 5.117 14.493 -5.991 1.00 18.33 . 1 539
17
ATOM N N GLU C 17 . 7.389 18.427 -3.040 1.00 16.47 . 1 540
17
ATOM C CA GLU C 17 . 7.353 19.319 -1.959 1.00 10.93 . 1 541
17
ATOM C C GLU C 17 . 6.614 20.601 -2.282 1.00 11.20 . 1 542
17
ATOM O O GLU C 17 . 6.183 21.310 -1.386 1.00 13.69 . 1 543
17
ATOM C CB GLU C 17 . 8.751 19.800 -1.584 1.00 16.99 . 1 544
17
ATOM C CG GLU C 17 . 9.178 18.980 -0.408 1.00 22.69 . 1 545
17
ATOM C CD GLU C 17 . 10.397 19.524 0.269 1.00 26.38 . 1 546
17
ATOM O OE1 GLU C 17 . 11.270 20.013 -0.342 1.00 26.42 . 1 547
17
ATOM O OE2 GLU C 17 . 10.358 19.291 1.470 1.00 30.68 . 1 548
18
ATOM N N ASN C 18 . 6.466 20.844 -3.575 1.00 13.42 . 1 549
18
ATOM C CA ASN C 18 . 5.707 22.010 -4.006 1.00 12.91 . 1 550
18
ATOM C C ASN C 18 . 4.238 21.879 -3.683 1.00 14.96 . 1 551
18
ATOM O O ASN C 18 . 3.506 22.887 -3.698 1.00 17.72 . 1 552
18
ATOM C CB ASN C 18 . 5.894 22.279 -5.506 1.00 16.62 . 1 553
18
ATOM C CG ASN C 18 . 7.286 22.755 -5.884 1.00 20.64 . 1 554
18
ATOM O OD1 ASN C 18 . 7.761 22.375 -6.927 1.00 28.41 . 1 555
18
ATOM N ND2 ASN C 18 . 7.836 23.540 -4.999 1.00 26.53 . 1 556
19
ATOM N N TYR C 19 . 3.683 20.717 -3.420 1.00 10.42 . 1 557
19
ATOM C CA TYR C 19 . 2.315 20.489 -3.110 1.00 11.44 . 1 558
19
ATOM C C TYR C 19 . 2.035 20.284 -1.641 1.00 19.22 . 1 559
19
ATOM O O TYR C 19 . 0.884 20.008 -1.330 1.00 14.52 . 1 560
19
ATOM C CB TYR C 19 . 1.745 19.342 -3.938 1.00 13.89 . 1 561
19
ATOM C CG TYR C 19 . 1.995 19.579 -5.394 1.00 13.15 . 1 562
19
ATOM C CD1 TYR C 19 . 1.176 20.360 -6.185 1.00 15.85 . 1 563
19
ATOM C CD2 TYR C 19 . 3.101 19.022 -6.004 1.00 20.18 . 1 564
19
ATOM C CE1 TYR C 19 . 1.482 20.590 -7.526 1.00 15.80 . 1 565
19
ATOM C CE2 TYR C 19 . 3.427 19.257 -7.342 1.00 20.94 . 1 566
19
ATOM C CZ TYR C 19 . 2.600 20.077 -8.111 1.00 16.07 . 1 567
19
ATOM O OH TYR C 19 . 2.930 20.198 -9.438 1.00 28.20 . 1 568
20
ATOM N N CYS C 20 . 2.997 20.523 -0.779 1.00 15.85 . 1 569
20
ATOM C CA CYS C 20 . 2.816 20.515 0.660 1.00 12.75 . 1 570
20
ATOM C C CYS C 20 . 2.167 21.848 1.080 1.00 18.29 . 1 571
20
ATOM O O CYS C 20 . 2.424 22.842 0.449 1.00 26.63 . 1 572
20
ATOM C CB CYS C 20 . 4.116 20.329 1.465 1.00 12.02 . 1 573
20
ATOM S SG CYS C 20 . 5.109 18.925 1.079 1.00 13.70 . 1 574
21
ATOM N N ASN C 21 . 1.396 21.899 2.168 1.00 17.14 . 1 575
21
ATOM C CA ASN C 21 . 0.814 23.152 2.677 1.00 22.18 . 1 576
21
ATOM C C ASN C 21 . 1.879 23.650 3.681 1.00 31.46 . 1 577
21
ATOM O O ASN C 21 . 2.937 22.991 3.836 1.00 44.77 . 1 578
21
ATOM C CB ASN C 21 . -0.433 22.757 3.387 1.00 21.67 . 1 579
21
ATOM C CG ASN C 21 . -1.636 22.166 2.742 1.00 29.17 . 1 580
21
ATOM O OD1 ASN C 21 . -2.062 22.468 1.647 1.00 33.63 . 1 581
21
ATOM N ND2 ASN C 21 . -2.242 21.277 3.591 1.00 33.21 . 1 582
21
ATOM O OXT ASN C 21 . 1.575 24.585 4.398 1.00 52.38 . 1 583
21
TER . . ASN C 21 . . . . . . . 1 584
22
ATOM N N PHE D 1 . 18.330 11.816 -3.893 1.00 61.50 . 2 585
22
ATOM C CA PHE D 1 . 17.047 11.272 -4.371 1.00 28.75 . 2 586
22
ATOM C C PHE D 1 . 17.165 10.885 -5.854 1.00 45.77 . 2 587
22
ATOM O O PHE D 1 . 18.169 11.137 -6.550 1.00 49.85 . 2 588
22
ATOM C CB PHE D 1 . 15.801 12.158 -4.041 1.00 30.01 . 2 589
22
ATOM C CG PHE D 1 . 16.035 12.424 -2.571 1.00 31.74 . 2 590
22
ATOM C CD1 PHE D 1 . 15.980 11.294 -1.745 1.00 39.79 . 2 591
22
ATOM C CD2 PHE D 1 . 16.425 13.629 -2.070 1.00 31.26 . 2 592
22
ATOM C CE1 PHE D 1 . 16.219 11.375 -0.405 1.00 31.66 . 2 593
22
ATOM C CE2 PHE D 1 . 16.706 13.719 -0.715 1.00 53.74 . 2 594
22
ATOM C CZ PHE D 1 . 16.609 12.612 0.115 1.00 37.15 . 2 595
23
ATOM N N VAL D 2 . 16.117 10.168 -6.274 1.00 33.71 . 2 596
23
ATOM C CA VAL D 2 . 16.006 9.666 -7.682 1.00 24.16 . 2 597
23
ATOM C C VAL D 2 . 14.648 10.218 -8.239 1.00 33.79 . 2 598
23
ATOM O O VAL D 2 . 13.733 10.588 -7.495 1.00 22.26 . 2 599
23
ATOM C CB VAL D 2 . 16.128 8.144 -7.911 1.00 27.80 . 2 600
23
ATOM C CG1 VAL D 2 . 17.529 7.562 -7.875 1.00 85.81 . 2 601
23
ATOM C CG2 VAL D 2 . 15.239 7.326 -6.976 1.00 36.43 . 2 602
24
ATOM N N ASN D 3 . 14.564 10.315 -9.558 1.00 19.91 . 2 603
24
ATOM C CA ASN D 3 . 13.383 10.694 -10.332 1.00 33.51 . 2 604
24
ATOM C C ASN D 3 . 12.449 9.525 -10.618 1.00 27.19 . 2 605
24
ATOM O O ASN D 3 . 12.946 8.479 -11.058 1.00 35.28 . 2 606
24
ATOM C CB ASN D 3 . 13.966 11.427 -11.571 1.00 28.03 . 2 607
24
ATOM C CG ASN D 3 . 14.214 12.869 -11.102 1.00 36.72 . 2 608
24
ATOM O OD1 ASN D 3 . 14.425 13.813 -11.829 1.00 71.83 . 2 609
24
ATOM N ND2 ASN D 3 . 14.114 13.118 -9.791 1.00 69.95 . 2 610
25
ATOM N N GLN D 4 . 11.128 9.652 -10.488 1.00 38.71 . 2 611
25
ATOM C CA GLN D 4 . 10.224 8.523 -10.782 1.00 30.37 . 2 612
25
ATOM C C GLN D 4 . 8.833 8.864 -11.345 1.00 13.92 . 2 613
25
ATOM O O GLN D 4 . 8.361 10.028 -11.197 1.00 25.56 . 2 614
25
ATOM C CB GLN D 4 . 9.983 7.921 -9.378 1.00 38.84 . 2 615
25
ATOM C CG GLN D 4 . 10.350 6.429 -9.194 1.00 40.71 . 2 616
25
ATOM C CD GLN D 4 . 10.515 6.248 -7.678 1.00 31.29 . 2 617
25
ATOM O OE1 GLN D 4 . 10.490 5.138 -7.268 1.00 47.62 . 2 618
25
ATOM N NE2 GLN D 4 . 10.697 7.383 -6.997 1.00 30.17 . 2 619
26
ATOM N N HIS D 5 . 8.291 7.803 -12.000 1.00 13.87 1 2 620
26
ATOM C CA HIS D 5 . 6.903 7.919 -12.482 1.00 16.22 1 2 621
26
ATOM C C HIS D 5 . 6.029 7.528 -11.252 1.00 16.61 1 2 622
26
ATOM O O HIS D 5 . 6.115 6.355 -10.822 1.00 21.77 1 2 623
26
ATOM C CB HIS D 5 . 6.427 7.086 -13.663 1.00 24.93 1 2 624
26
ATOM C CG HIS D 5 . 6.855 7.450 -15.054 1.00 32.91 1 2 625
26
ATOM N ND1 HIS D 5 . 6.285 8.338 -15.876 1.00 31.86 1 2 626
26
ATOM C CD2 HIS D 5 . 7.867 6.966 -15.822 1.00 31.55 1 2 627
26
ATOM C CE1 HIS D 5 . 6.866 8.458 -17.068 1.00 28.50 1 2 628
26
ATOM N NE2 HIS D 5 . 7.838 7.587 -17.015 1.00 18.29 1 2 629
27
ATOM N N LEU D 6 . 5.259 8.452 -10.792 1.00 11.23 . 2 630
27
ATOM C CA LEU D 6 . 4.302 8.232 -9.639 1.00 22.97 . 2 631
27
ATOM C C LEU D 6 . 2.854 8.566 -10.048 1.00 11.62 . 2 632
27
ATOM O O LEU D 6 . 2.505 9.705 -10.335 1.00 14.32 . 2 633
27
ATOM C CB LEU D 6 . 4.815 9.069 -8.489 1.00 16.96 . 2 634
27
ATOM C CG LEU D 6 . 6.253 8.828 -7.985 1.00 18.92 . 2 635
27
ATOM C CD1 LEU D 6 . 6.828 10.000 -7.271 1.00 17.11 . 2 636
27
ATOM C CD2 LEU D 6 . 6.091 7.594 -7.091 1.00 18.40 . 2 637
28
ATOM N N CYS D 7 . 2.119 7.495 -10.108 1.00 13.70 . 2 638
28
ATOM C CA CYS D 7 . 0.745 7.570 -10.582 1.00 18.64 . 2 639
28
ATOM C C CYS D 7 . -0.288 7.058 -9.564 1.00 17.90 . 2 640
28
ATOM O O CYS D 7 . 0.016 6.138 -8.853 1.00 18.63 . 2 641
28
ATOM C CB CYS D 7 . 0.607 6.723 -11.869 1.00 31.44 . 2 642
28
ATOM S SG CYS D 7 . 1.635 7.350 -13.232 1.00 20.00 . 2 643
29
ATOM N N GLY D 8 . -1.440 7.618 -9.644 1.00 19.94 . 2 644
29
ATOM C CA GLY D 8 . -2.580 7.155 -8.776 1.00 18.12 . 2 645
29
ATOM C C GLY D 8 . -2.305 7.237 -7.329 1.00 8.63 . 2 646
29
ATOM O O GLY D 8 . -1.914 8.246 -6.763 1.00 13.74 . 2 647
30
ATOM N N SER D 9 . -2.656 6.101 -6.694 1.00 11.65 . 2 648
30
ATOM C CA SER D 9 . -2.483 5.997 -5.227 1.00 12.39 . 2 649
30
ATOM C C SER D 9 . -1.032 6.120 -4.867 1.00 8.86 . 2 650
30
ATOM O O SER D 9 . -0.760 6.584 -3.762 1.00 9.84 . 2 651
30
ATOM C CB SER D 9 . -3.264 4.870 -4.568 1.00 14.54 . 2 652
30
ATOM O OG SER D 9 . -2.756 3.670 -5.015 1.00 21.40 . 2 653
31
ATOM N N HIS D 10 . -0.166 5.698 -5.800 1.00 8.91 . 2 654
31
ATOM C CA HIS D 10 . 1.270 5.805 -5.452 1.00 9.09 . 2 655
31
ATOM C C HIS D 10 . 1.755 7.227 -5.317 1.00 7.69 . 2 656
31
ATOM O O HIS D 10 . 2.658 7.481 -4.533 1.00 11.42 . 2 657
31
ATOM C CB HIS D 10 . 2.092 5.048 -6.482 1.00 8.95 . 2 658
31
ATOM C CG HIS D 10 . 1.707 3.599 -6.615 1.00 8.78 . 2 659
31
ATOM N ND1 HIS D 10 . 1.951 2.701 -5.608 1.00 13.99 . 2 660
31
ATOM C CD2 HIS D 10 . 1.059 2.922 -7.561 1.00 11.16 . 2 661
31
ATOM C CE1 HIS D 10 . 1.536 1.530 -6.025 1.00 8.79 . 2 662
31
ATOM N NE2 HIS D 10 . 0.948 1.628 -7.159 1.00 11.60 . 2 663
32
ATOM N N LEU D 11 . 1.142 8.109 -6.070 1.00 9.45 . 2 664
32
ATOM C CA LEU D 11 . 1.434 9.541 -6.053 1.00 9.98 . 2 665
32
ATOM C C LEU D 11 . 1.027 10.155 -4.729 1.00 5.91 . 2 666
32
ATOM O O LEU D 11 . 1.818 10.853 -4.084 1.00 8.83 . 2 667
32
ATOM C CB LEU D 11 . 0.815 10.196 -7.249 1.00 10.51 . 2 668
32
ATOM C CG LEU D 11 . 1.105 11.705 -7.294 1.00 13.37 . 2 669
32
ATOM C CD1 LEU D 11 . 2.526 12.118 -7.270 1.00 11.72 . 2 670
32
ATOM C CD2 LEU D 11 . 0.404 12.225 -8.564 1.00 16.22 . 2 671
33
ATOM N N VAL D 12 . -0.188 9.816 -4.302 1.00 6.52 . 2 672
33
ATOM C CA VAL D 12 . -0.534 10.395 -2.938 1.00 6.95 . 2 673
33
ATOM C C VAL D 12 . 0.207 9.758 -1.787 1.00 5.55 . 2 674
33
ATOM O O VAL D 12 . 0.467 10.475 -0.761 1.00 8.60 . 2 675
33
ATOM C CB VAL D 12 . -2.065 10.355 -2.790 1.00 14.07 . 2 676
33
ATOM C CG1 VAL D 12 . -2.687 11.271 -3.899 1.00 16.64 . 2 677
33
ATOM C CG2 VAL D 12 . -2.636 9.010 -2.737 1.00 14.03 . 2 678
34
ATOM N N GLU D 13 . 0.681 8.537 -1.890 1.00 8.61 . 2 679
34
ATOM C CA GLU D 13 . 1.509 7.903 -0.866 1.00 7.25 . 2 680
34
ATOM C C GLU D 13 . 2.815 8.631 -0.804 1.00 7.02 . 2 681
34
ATOM O O GLU D 13 . 3.403 8.915 0.274 1.00 11.89 . 2 682
34
ATOM C CB GLU D 13 . 1.770 6.435 -1.051 1.00 11.84 . 2 683
34
ATOM C CG GLU D 13 . 0.458 5.634 -0.816 1.00 27.71 . 2 684
34
ATOM C CD GLU D 13 . 0.536 4.937 0.492 1.00 62.15 . 2 685
34
ATOM O OE1 GLU D 13 . 1.499 5.094 1.172 1.00 28.12 . 2 686
34
ATOM O OE2 GLU D 13 . -0.429 4.258 0.726 1.00 32.97 . 2 687
35
ATOM N N ALA D 14 . 3.390 9.046 -1.888 1.00 9.58 . 2 688
35
ATOM C CA ALA D 14 . 4.643 9.836 -1.985 1.00 10.00 . 2 689
35
ATOM C C ALA D 14 . 4.495 11.218 -1.377 1.00 10.02 . 2 690
35
ATOM O O ALA D 14 . 5.373 11.718 -0.675 1.00 12.34 . 2 691
35
ATOM C CB ALA D 14 . 5.151 9.884 -3.366 1.00 9.23 . 2 692
36
ATOM N N LEU D 15 . 3.340 11.836 -1.609 1.00 8.93 . 2 693
36
ATOM C CA LEU D 15 . 3.014 13.121 -1.053 1.00 9.97 . 2 694
36
ATOM C C LEU D 15 . 2.968 13.020 0.450 1.00 16.23 . 2 695
36
ATOM O O LEU D 15 . 3.462 13.914 1.142 1.00 11.63 . 2 696
36
ATOM C CB LEU D 15 . 1.719 13.654 -1.641 1.00 9.29 . 2 697
36
ATOM C CG LEU D 15 . 1.771 14.340 -2.979 1.00 10.49 . 2 698
36
ATOM C CD1 LEU D 15 . 0.398 14.483 -3.556 1.00 12.99 . 2 699
36
ATOM C CD2 LEU D 15 . 2.487 15.663 -2.804 1.00 15.87 . 2 700
37
ATOM N N TYR D 16 . 2.313 11.974 0.938 1.00 11.90 . 2 701
37
ATOM C CA TYR D 16 . 2.254 11.791 2.374 1.00 8.84 . 2 702
37
ATOM C C TYR D 16 . 3.662 11.710 3.013 1.00 11.08 . 2 703
37
ATOM O O TYR D 16 . 3.925 12.338 4.014 1.00 10.74 . 2 704
37
ATOM C CB TYR D 16 . 1.409 10.545 2.657 1.00 8.68 . 2 705
37
ATOM C CG TYR D 16 . 1.408 10.201 4.150 1.00 9.93 . 2 706
37
ATOM C CD1 TYR D 16 . 0.611 10.879 5.091 1.00 13.27 . 2 707
37
ATOM C CD2 TYR D 16 . 2.232 9.163 4.535 1.00 10.34 . 2 708
37
ATOM C CE1 TYR D 16 . 0.657 10.554 6.429 1.00 11.61 . 2 709
37
ATOM C CE2 TYR D 16 . 2.284 8.846 5.894 1.00 17.86 . 2 710
37
ATOM C CZ TYR D 16 . 1.518 9.554 6.843 1.00 13.23 . 2 711
37
ATOM O OH TYR D 16 . 1.664 9.081 8.177 1.00 17.80 . 2 712
38
ATOM N N LEU D 17 . 4.478 10.910 2.349 1.00 9.51 . 2 713
38
ATOM C CA LEU D 17 . 5.832 10.719 2.819 1.00 8.94 . 2 714
38
ATOM C C LEU D 17 . 6.672 11.993 2.879 1.00 12.51 . 2 715
38
ATOM O O LEU D 17 . 7.395 12.298 3.853 1.00 13.68 . 2 716
38
ATOM C CB LEU D 17 . 6.573 9.683 1.932 1.00 12.01 . 2 717
38
ATOM C CG LEU D 17 . 7.784 9.141 2.606 1.00 26.75 . 2 718
38
ATOM C CD1 LEU D 17 . 7.274 8.084 3.613 1.00 27.77 . 2 719
38
ATOM C CD2 LEU D 17 . 8.533 8.579 1.435 1.00 36.25 . 2 720
39
ATOM N N VAL D 18 . 6.585 12.773 1.784 1.00 10.21 . 2 721
39
ATOM C CA VAL D 18 . 7.348 14.029 1.661 1.00 8.25 . 2 722
39
ATOM C C VAL D 18 . 6.789 15.099 2.514 1.00 8.01 . 2 723
39
ATOM O O VAL D 18 . 7.560 15.914 3.063 1.00 14.17 . 2 724
39
ATOM C CB VAL D 18 . 7.357 14.409 0.176 1.00 8.24 . 2 725
39
ATOM C CG1 VAL D 18 . 7.683 15.903 0.006 1.00 18.17 . 2 726
39
ATOM C CG2 VAL D 18 . 8.321 13.582 -0.638 1.00 16.22 . 2 727
40
ATOM N N CYS D 19 . 5.469 15.224 2.565 1.00 8.80 . 2 728
40
ATOM C CA CYS D 19 . 4.790 16.327 3.282 1.00 10.89 . 2 729
40
ATOM C C CYS D 19 . 4.550 16.076 4.760 1.00 20.41 . 2 730
40
ATOM O O CYS D 19 . 4.771 17.057 5.513 1.00 17.13 . 2 731
40
ATOM C CB CYS D 19 . 3.540 16.778 2.546 1.00 11.71 . 2 732
40
ATOM S SG CYS D 19 . 3.846 17.363 0.909 1.00 11.30 . 2 733
41
ATOM N N GLY D 20 . 4.108 14.860 5.076 1.00 15.31 . 2 734
41
ATOM C CA GLY D 20 . 3.841 14.553 6.475 1.00 18.10 . 2 735
41
ATOM C C GLY D 20 . 2.815 15.479 7.177 1.00 19.19 . 2 736
41
ATOM O O GLY D 20 . 1.669 15.721 6.770 1.00 18.72 . 2 737
42
ATOM N N GLU D 21 . 3.387 15.976 8.278 1.00 20.01 . 2 738
42
ATOM C CA GLU D 21 . 2.659 16.847 9.244 1.00 23.69 . 2 739
42
ATOM C C GLU D 21 . 2.237 18.138 8.636 1.00 19.09 . 2 740
42
ATOM O O GLU D 21 . 1.246 18.727 9.109 1.00 24.03 . 2 741
42
ATOM C CB GLU D 21 . 3.575 17.120 10.476 1.00 22.76 . 2 742
42
ATOM C CG GLU D 21 . 5.075 17.192 10.046 1.00 53.97 . 2 743
42
ATOM C CD GLU D 21 . 6.099 17.832 10.938 1.00 78.86 . 2 744
42
ATOM O OE1 GLU D 21 . 5.775 18.563 11.863 1.00 73.07 . 2 745
42
ATOM O OE2 GLU D 21 . 7.300 17.568 10.645 1.00 72.74 . 2 746
43
ATOM N N ARG D 22 . 2.952 18.555 7.566 1.00 15.75 2 2 747
43
ATOM C CA ARG D 22 . 2.552 19.835 6.996 1.00 21.02 2 2 748
43
ATOM C C ARG D 22 . 1.231 19.779 6.228 1.00 30.79 2 2 749
43
ATOM O O ARG D 22 . 0.558 20.740 5.955 1.00 22.02 2 2 750
43
ATOM C CB ARG D 22 . 3.613 20.247 5.973 1.00 29.63 2 2 751
43
ATOM C CG ARG D 22 . 5.024 20.325 6.450 1.00 16.81 2 2 752
43
ATOM C CD ARG D 22 . 5.952 20.706 5.309 1.00 32.57 2 2 753
43
ATOM N NE ARG D 22 A 5.584 21.912 4.554 0.50 23.88 2 2 754
43
ATOM N NE ARG D 22 B 6.663 19.518 4.827 0.50 24.77 2 2 755
43
ATOM C CZ ARG D 22 A 6.163 22.431 3.476 0.50 34.85 2 2 756
43
ATOM C CZ ARG D 22 B 7.482 19.684 3.777 0.50 11.98 2 2 757
43
ATOM N NH1 ARG D 22 A 5.819 23.547 2.845 0.50 18.26 2 2 758
43
ATOM N NH1 ARG D 22 B 7.547 20.848 3.124 0.50 20.33 2 2 759
43
ATOM N NH2 ARG D 22 A 7.190 21.770 2.930 0.50 20.80 2 2 760
43
ATOM N NH2 ARG D 22 B 8.196 18.646 3.318 0.50 20.38 2 2 761
44
ATOM N N GLY D 23 . 0.914 18.555 5.836 1.00 17.93 . 2 762
44
ATOM C CA GLY D 23 . -0.237 18.302 4.993 1.00 12.82 . 2 763
44
ATOM C C GLY D 23 . 0.087 18.615 3.514 1.00 11.10 . 2 764
44
ATOM O O GLY D 23 . 1.137 19.102 3.198 1.00 12.49 . 2 765
45
ATOM N N PHE D 24 . -0.903 18.290 2.672 1.00 11.76 . 2 766
45
ATOM C CA PHE D 24 . -0.774 18.497 1.209 1.00 10.21 . 2 767
45
ATOM C C PHE D 24 . -2.127 18.688 0.607 1.00 9.65 . 2 768
45
ATOM O O PHE D 24 . -3.142 18.470 1.204 1.00 12.03 . 2 769
45
ATOM C CB PHE D 24 . 0.000 17.400 0.578 1.00 9.41 . 2 770
45
ATOM C CG PHE D 24 . -0.602 16.046 0.597 1.00 9.89 . 2 771
45
ATOM C CD1 PHE D 24 . -0.280 15.182 1.648 1.00 12.55 . 2 772
45
ATOM C CD2 PHE D 24 . -1.497 15.657 -0.387 1.00 12.14 . 2 773
45
ATOM C CE1 PHE D 24 . -0.863 13.901 1.714 1.00 19.03 . 2 774
45
ATOM C CE2 PHE D 24 . -2.049 14.388 -0.368 1.00 12.53 . 2 775
45
ATOM C CZ PHE D 24 . -1.737 13.486 0.692 1.00 14.23 . 2 776
46
ATOM N N PHE D 25 . -2.070 19.069 -0.693 1.00 8.89 1 2 777
46
ATOM C CA PHE D 25 . -3.285 19.185 -1.469 1.00 10.03 1 2 778
46
ATOM C C PHE D 25 . -3.021 18.326 -2.724 1.00 9.84 1 2 779
46
ATOM O O PHE D 25 . -1.918 18.362 -3.216 1.00 12.46 1 2 780
46
ATOM C CB PHE D 25 . -3.686 20.613 -1.925 1.00 10.32 1 2 781
46
ATOM C CG PHE D 25 . -2.567 21.455 -2.479 1.00 14.41 1 2 782
46
ATOM C CD1 PHE D 25 . -2.435 21.546 -3.850 1.00 20.47 1 2 783
46
ATOM C CD2 PHE D 25 . -1.647 22.070 -1.651 1.00 14.83 1 2 784
46
ATOM C CE1 PHE D 25 . -1.470 22.321 -4.476 1.00 13.89 1 2 785
46
ATOM C CE2 PHE D 25 . -0.608 22.775 -2.271 1.00 20.12 1 2 786
46
ATOM C CZ PHE D 25 . -0.558 22.880 -3.660 1.00 13.72 1 2 787
47
ATOM N N TYR D 26 . -3.962 17.546 -3.192 1.00 10.77 . 2 788
47
ATOM C CA TYR D 26 . -3.915 16.723 -4.366 1.00 8.24 . 2 789
47
ATOM C C TYR D 26 . -5.013 17.222 -5.272 1.00 11.68 . 2 790
47
ATOM O O TYR D 26 . -6.209 17.040 -5.011 1.00 12.49 . 2 791
47
ATOM C CB TYR D 26 . -4.090 15.233 -4.010 1.00 12.91 . 2 792
47
ATOM C CG TYR D 26 . -4.159 14.291 -5.196 1.00 13.37 . 2 793
47
ATOM C CD1 TYR D 26 . -5.379 13.599 -5.455 1.00 12.94 . 2 794
47
ATOM C CD2 TYR D 26 . -3.138 14.227 -6.110 1.00 12.82 . 2 795
47
ATOM C CE1 TYR D 26 . -5.491 12.770 -6.582 1.00 18.45 . 2 796
47
ATOM C CE2 TYR D 26 . -3.289 13.401 -7.216 1.00 14.97 . 2 797
47
ATOM C CZ TYR D 26 . -4.390 12.679 -7.390 1.00 16.87 . 2 798
47
ATOM O OH TYR D 26 . -4.411 11.849 -8.508 1.00 19.99 . 2 799
48
ATOM N N THR D 27 . -4.639 17.933 -6.342 1.00 10.07 . 2 800
48
ATOM C CA THR D 27 . -5.563 18.555 -7.264 1.00 15.24 . 2 801
48
ATOM C C THR D 27 . -5.254 18.120 -8.704 1.00 16.10 . 2 802
48
ATOM O O THR D 27 . -4.545 18.821 -9.404 1.00 18.07 . 2 803
48
ATOM C CB THR D 27 . -5.536 20.114 -7.048 1.00 16.40 . 2 804
48
ATOM O OG1 THR D 27 . -4.178 20.585 -6.974 1.00 19.93 . 2 805
48
ATOM C CG2 THR D 27 . -6.181 20.408 -5.709 1.00 16.74 . 2 806
49
ATOM N N PRO D 28 . -5.766 17.035 -9.149 1.00 11.98 . 2 807
49
ATOM C CA PRO D 28 . -5.571 16.537 -10.477 1.00 13.55 . 2 808
49
ATOM C C PRO D 28 . -6.105 17.452 -11.585 1.00 21.64 . 2 809
49
ATOM O O PRO D 28 . -5.471 17.453 -12.635 1.00 24.41 . 2 810
49
ATOM C CB PRO D 28 . -6.192 15.163 -10.479 1.00 21.77 . 2 811
49
ATOM C CG PRO D 28 . -6.813 14.874 -9.135 1.00 18.60 . 2 812
49
ATOM C CD PRO D 28 . -6.687 16.109 -8.343 1.00 11.54 . 2 813
50
ATOM N N LYS D 29 . -7.103 18.249 -11.346 1.00 18.85 2 2 814
50
ATOM C CA LYS D 29 . -7.647 19.148 -12.397 1.00 21.86 2 2 815
50
ATOM C C LYS D 29 . -6.782 20.313 -12.719 1.00 25.32 2 2 816
50
ATOM O O LYS D 29 . -6.944 20.988 -13.739 1.00 28.67 2 2 817
50
ATOM C CB LYS D 29 . -9.020 19.689 -11.971 1.00 37.73 2 2 818
50
ATOM C CG LYS D 29 A -10.118 18.678 -12.365 0.50 26.24 2 2 819
50
ATOM C CG LYS D 29 B -9.869 20.535 -12.933 0.50 51.60 2 2 820
50
ATOM C CD LYS D 29 A -11.261 18.659 -11.369 0.50 25.69 2 2 821
50
ATOM C CD LYS D 29 B -11.094 21.211 -12.318 0.50 26.73 2 2 822
50
ATOM C CE LYS D 29 A -12.315 17.615 -11.670 0.50 22.42 2 2 823
50
ATOM C CE LYS D 29 B -12.076 21.723 -13.345 0.50 41.26 2 2 824
50
ATOM N NZ LYS D 29 A -13.648 18.108 -11.182 0.50 39.07 2 2 825
50
ATOM N NZ LYS D 29 B -13.280 22.348 -12.731 0.50 38.89 2 2 826
51
ATOM N N ALA D 30 . -5.874 20.552 -11.809 1.00 17.54 . 2 827
51
ATOM C CA ALA D 30 . -5.022 21.709 -11.876 1.00 15.58 . 2 828
51
ATOM C C ALA D 30 . -3.942 21.534 -12.910 1.00 35.26 . 2 829
51
ATOM O O ALA D 30 . -3.347 20.451 -13.025 1.00 37.09 . 2 830
51
ATOM C CB ALA D 30 . -4.392 21.978 -10.527 1.00 32.86 . 2 831
51
ATOM O OXT ALA D 30 . -3.822 22.597 -13.538 1.00 43.22 . 2 832
51
TER . . ALA D 30 . . . . . . . 2 833
. HETA ZN ZN ZN . 1 . -0.002 -0.004 7.891 0.33 10.40 . 5 834
. HETA ZN ZN ZN . 2 . 0.000 0.000 -8.039 0.33 11.00 . 5 835
. HETA O O HOH . 18 . 1.208 0.917 -0.239 1.00 44.11 . 6 836
. HETA O O HOH . 19 . 26.674 0.029 0.118 1.00 64.26 . 6 837
. HETA O O HOH . 11 . 13.443 19.181 0.629 1.00 37.18 . 6 838
. HETA O O HOH . 12 . 8.897 22.662 0.833 0.50 72.59 . 6 839
. HETA O O HOH . 13 . 5.430 4.632 0.353 0.50 68.27 . 6 840
. HETA O O HOH . 14 . -9.600 22.800 0.340 1.00 86.30 . 6 841
. HETA O O HOH . 21 . -11.312 20.399 0.771 1.00 76.27 . 6 842
. HETA O O HOH . 22 . 10.779 23.846 1.400 0.50 44.66 . 6 843
. HETA O O HOH . 15 . 14.910 22.149 0.107 1.00 64.34 . 6 844
. HETA O O HOH . 41 . 3.208 6.718 2.188 1.00 44.14 . 6 845
. HETA O O HOH . 42 . 15.228 18.988 2.773 1.00 47.95 . 6 846
. HETA O O HOH . 51 . 1.948 1.415 2.000 1.00 83.31 . 6 847
. HETA O O HOH . 52 . -12.203 23.328 2.558 0.50 53.25 . 6 848
. HETA O O HOH . 61 . 3.289 3.437 2.898 1.00 29.40 . 6 849
. HETA O O HOH . 62 . -0.463 3.085 2.990 1.00 35.04 . 6 850
. HETA O O HOH . 63 . 10.311 22.834 3.121 0.50 53.93 . 6 851
. HETA O O HOH . 64 . 10.183 24.198 3.002 0.50 47.80 . 6 852
. HETA O O HOH . 65 . 23.650 0.900 3.000 1.00 86.30 . 6 853
. HETA O O HOH . 71 . 8.256 18.783 3.330 0.50 14.13 . 6 854
. HETA O O HOH . 72 . 0.000 0.000 2.721 0.33 78.41 . 6 855
. HETA O O HOH . 73 . -5.500 23.300 3.200 1.00 76.30 . 6 856
. HETA O O HOH . 74 . -10.414 20.888 3.177 1.00 46.17 . 6 857
. HETA O O HOH . 75 . 5.786 4.688 3.296 1.00 79.24 . 6 858
. HETA O O HOH . 76 . 12.041 23.097 3.478 0.50 31.09 . 6 859
. HETA O O HOH . 101 . -9.400 22.600 4.900 0.50 52.19 . 6 860
. HETA O O HOH . 91 . 9.781 13.999 4.347 1.00 38.00 . 6 861
. HETA O O HOH . 92 . 14.487 19.051 4.963 0.50 47.26 . 6 862
. HETA O O HOH . 94 . 24.800 2.000 4.680 1.00 50.76 . 6 863
. HETA O O HOH . 95 . 1.700 14.430 4.490 1.00 60.70 . 6 864
. HETA O O HOH . 111 . -7.624 16.101 5.527 1.00 25.99 . 6 865
. HETA O O HOH . 113 . 4.071 5.888 5.145 1.00 60.78 . 6 866
. HETA O O HOH . 112 . 12.744 23.426 5.604 0.50 40.09 . 6 867
. HETA O O HOH . 115 . 10.354 21.084 4.829 0.50 33.95 . 6 868
. HETA O O HOH . 116 . 12.369 21.475 5.162 0.50 61.18 . 6 869
. HETA O O HOH . 122 . -9.100 20.600 6.100 0.50 60.00 . 6 870
. HETA O O HOH . 123 . -8.768 19.973 5.675 0.50 51.16 . 6 871
. HETA O O HOH . 131 . 13.100 13.724 6.029 1.00 21.23 . 6 872
. HETA O O HOH . 132 . -7.991 22.590 6.582 0.50 57.20 . 6 873
. HETA O O HOH . 133 . -12.272 21.574 6.100 1.00 55.48 . 6 874
. HETA O O HOH . 141 . -2.652 21.385 6.534 1.00 64.51 . 6 875
. HETA O O HOH . 142 . 25.212 3.031 6.890 1.00 49.58 . 6 876
. HETA O O HOH . 143 . 10.600 10.100 6.800 0.50 50.00 . 6 877
. HETA O O HOH . 146 . 11.191 23.508 6.621 0.50 37.26 . 6 878
. HETA O O HOH . 151 . 14.528 16.192 7.070 1.00 51.29 . 6 879
. HETA O O HOH . 152 . 1.492 23.231 6.892 0.50 27.00 . 6 880
. HETA O O HOH . 155 . 14.502 18.882 6.980 0.50 59.76 . 6 881
. HETA O O HOH . 156 . -9.484 23.456 7.067 0.50 41.28 . 6 882
. HETA O O HOH . 161 . 1.228 4.480 7.603 1.00 34.42 . 6 883
. HETA O O HOH . 162 . 0.172 22.959 7.609 0.50 29.31 . 6 884
. HETA O O HOH . 164 . 10.079 20.626 8.067 0.52 33.28 . 6 885
. HETA O O HOH . 144 . 8.276 22.353 6.634 0.50 71.16 . 6 886
. HETA O O HOH . 145 . 11.200 20.200 6.480 0.50 43.34 . 6 887
. HETA O O HOH . 147 . 9.467 21.709 6.550 0.50 60.52 . 6 888
. HETA O O HOH . 165 . 12.911 19.857 7.882 0.50 41.83 . 6 889
. HETA O O HOH . 166 . 5.794 10.580 7.551 0.50 18.82 . 6 890
. HETA O O HOH . 171 . -3.193 10.008 8.356 1.00 20.33 . 6 891
. HETA O O HOH . 172 . 3.540 5.186 7.514 1.00 50.94 . 6 892
. HETA O O HOH . 173 . -2.600 23.100 8.100 0.50 37.93 . 6 893
. HETA O O HOH . 174 . 24.906 0.400 8.400 1.00 59.59 . 6 894
. HETA O O HOH . 175 . 22.962 4.308 7.971 1.00 75.46 . 6 895
. HETA O O HOH . 181 . 3.162 12.350 8.534 1.00 60.02 . 6 896
. HETA O O HOH . 182 . 6.986 23.533 8.608 0.50 42.86 . 6 897
. HETA O O HOH . 183 . 7.747 22.514 8.736 0.50 51.31 . 6 898
. HETA O O HOH . 184 . 11.350 23.300 9.170 1.00 50.61 . 6 899
. HETA O O HOH . 185 . 13.640 22.500 8.400 1.00 61.09 . 6 900
. HETA O O HOH . 186 . 5.402 7.037 8.018 1.00 76.30 . 6 901
. HETA O O HOH . 191 . -9.443 20.240 8.418 0.50 46.63 . 6 902
. HETA O O HOH . 193 . 21.200 5.800 9.000 1.00 46.66 . 6 903
. HETA O O HOH . 194 . -0.559 20.337 9.227 0.50 31.04 . 6 904
. HETA O O HOH . 201 . -0.074 1.535 9.452 1.00 25.97 . 6 905
. HETA O O HOH . 202 . 18.617 13.600 9.207 1.00 29.22 . 6 906
. HETA O O HOH . 203 . 0.475 13.399 9.000 1.00 61.33 . 6 907
. HETA O O HOH . 204 . 2.956 7.356 9.255 1.00 37.48 . 6 908
. HETA O O HOH . 205 . 11.907 19.705 9.066 0.50 35.59 . 6 909
. HETA O O HOH . 206 . 16.094 16.073 9.932 1.00 48.31 . 6 910
. HETA O O HOH . 207 . -8.473 18.398 9.204 0.50 34.10 . 6 911
. HETA O O HOH . 208 . 13.482 17.840 9.054 1.00 66.41 . 6 912
. HETA O O HOH . 209 . 4.832 22.586 10.697 0.50 41.13 . 6 913
. HETA O O HOH . 211 . 4.499 3.274 9.801 1.00 21.36 . 6 914
. HETA O O HOH . 212 . 9.900 19.400 10.176 1.00 57.45 . 6 915
. HETA O O HOH . 213 . -9.814 18.858 10.172 0.50 36.40 . 6 916
. HETA O O HOH . 214 . 8.300 21.900 9.770 0.50 62.82 . 6 917
. HETA O O HOH . 215 . 5.531 14.046 9.251 1.00 53.12 . 6 918
. HETA O O HOH . 216 . 0.500 21.500 9.739 0.50 40.73 . 6 919
. HETA O O HOH . 217 . 24.500 1.839 10.261 0.50 44.08 . 6 920
. HETA O O HOH . 218 . 14.403 20.407 9.881 0.25 62.98 . 6 921
. HETA O O HOH . 219 . -9.503 22.800 10.020 0.50 40.98 . 6 922
. HETA O O HOH . 221 . -5.367 9.301 10.390 1.00 29.29 . 6 923
. HETA O O HOH . 222 . 5.099 10.014 10.625 1.00 39.93 . 6 924
. HETA O O HOH . 223 . 3.402 22.242 10.235 0.50 38.69 . 6 925
. HETA O O HOH . 224 . 0.786 10.457 10.424 0.50 27.11 . 6 926
. HETA O O HOH . 225 . 7.099 20.641 10.117 0.50 45.52 . 6 927
. HETA O O HOH . 226 . 1.327 5.583 11.052 0.50 56.24 . 6 928
. HETA O O HOH . 227 . -11.769 21.611 10.650 0.50 56.71 . 6 929
. HETA O O HOH . 228 . -9.990 20.281 10.186 0.50 56.19 . 6 930
. HETA O O HOH . 231 . -7.077 17.022 11.114 1.00 24.63 . 6 931
. HETA O O HOH . 232 . 10.114 17.143 11.048 1.00 38.47 . 6 932
. HETA O O HOH . 233 . 13.122 21.921 10.724 0.50 29.51 . 6 933
. HETA O O HOH . 234 . -8.631 22.492 11.840 0.50 43.99 . 6 934
. HETA O O HOH . 235 . 24.000 4.400 11.200 1.00 63.61 . 6 935
. HETA O O HOH . 241 . 0.397 4.490 11.763 0.50 23.04 . 6 936
. HETA O O HOH . 242 . 20.200 6.301 11.100 1.00 62.49 . 6 937
. HETA O O HOH . 243 . -6.059 22.694 11.492 1.00 61.96 . 6 938
. HETA O O HOH . 244 . 2.400 0.700 11.139 1.00 63.37 . 6 939
. HETA O O HOH . 245 . 1.431 8.001 10.900 1.00 61.63 . 6 940
. HETA O O HOH . 246 . 0.589 13.731 11.296 0.50 60.20 . 6 941
. HETA O O HOH . 247 . -0.216 11.635 11.240 0.50 52.12 . 6 942
. HETA O O HOH . 249 . 3.575 13.150 11.256 0.50 53.19 . 6 943
. HETA O O HOH . 251 . -0.023 -0.033 11.206 0.33 21.05 . 6 944
. HETA O O HOH . 252 . 3.725 4.937 12.004 1.00 60.07 . 6 945
. HETA O O HOH . 253 . 9.246 23.287 11.503 1.00 45.58 . 6 946
. HETA O O HOH . 254 . -5.435 20.514 11.630 1.00 51.70 . 6 947
. HETA O O HOH . 255 . 13.713 17.818 11.963 1.00 66.30 . 6 948
. HETA O O HOH . 256 . 16.125 12.139 12.240 1.00 50.03 . 6 949
. HETA O O HOH . 257 . 12.904 20.420 11.491 0.50 30.82 . 6 950
. HETA O O HOH . 258 . 22.345 2.177 11.300 1.00 53.69 . 6 951
. HETA O O HOH . 261 . -1.821 8.684 12.044 1.00 36.04 . 6 952
. HETA O O HOH . 262 . 2.938 2.622 12.785 1.00 45.76 . 6 953
. HETA O O HOH . 263 . 3.200 8.800 12.200 1.00 58.95 . 6 954
. HETA O O HOH . 271 . 6.250 11.753 12.889 1.00 50.22 . 6 955
. HETA O O HOH . 272 . 12.623 23.254 12.208 0.50 36.01 . 6 956
. HETA O O HOH . 273 . 6.083 21.437 12.952 0.50 45.78 . 6 957
. HETA O O HOH . 274 . 15.629 16.552 13.704 1.00 54.02 . 6 958
. HETA O O HOH . 275 . 4.207 21.400 12.867 0.50 42.63 . 6 959
. HETA O O HOH . 276 . 1.400 10.000 13.205 1.00 62.38 . 6 960
. HETA O O HOH . 281 . -1.805 14.585 13.563 1.00 36.72 . 6 961
. HETA O O HOH . 282 . 10.681 15.953 13.460 1.00 37.62 . 6 962
. HETA O O HOH . 283 . 3.526 17.510 13.393 0.50 58.59 . 6 963
. HETA O O HOH . 284 . 4.989 14.660 13.137 1.00 52.11 . 6 964
. HETA O O HOH . 285 . -3.059 10.929 12.998 0.50 54.91 . 6 965
. HETA O O HOH . 286 . -8.655 24.051 2.000 1.00 56.40 . 6 966
. HETA O O HOH . 287 . 17.589 14.886 12.994 0.50 46.92 . 6 967
. HETA O O HOH . 288 . -2.700 22.200 12.300 1.00 69.61 . 6 968
. HETA O O HOH . 289 . -7.400 20.900 13.300 1.00 82.49 . 6 969
. HETA O O HOH . 291 . 7.840 13.593 13.240 1.00 36.77 . 6 970
. HETA O O HOH . 277 . 8.436 16.103 13.124 0.50 66.40 . 6 971
. HETA O O HOH . 292 . 20.767 2.758 14.127 0.50 49.50 . 6 972
. HETA O O HOH . 278 . 19.461 3.175 13.236 0.50 43.30 . 6 973
. HETA O O HOH . 293 . 10.600 21.200 12.800 1.00 65.41 . 6 974
. HETA O O HOH . 294 . 17.091 12.037 14.424 1.00 66.30 . 6 975
. HETA O O HOH . 295 . 26.230 1.151 12.982 0.50 42.97 . 6 976
. HETA O O HOH . 296 . 1.000 16.700 13.200 1.00 45.00 . 6 977
. HETA O O HOH . 297 . -1.841 2.626 14.104 1.00 47.47 . 6 978
. HETA O O HOH . 298 . 8.200 19.886 13.338 1.00 59.62 . 6 979
. HETA O O HOH . 299 . 3.947 18.704 13.926 0.50 87.22 . 6 980
. HETA O O HOH . 301 . 3.000 8.250 14.500 1.00 39.38 . 6 981
. HETA O O HOH . 306 . 23.669 1.157 13.223 1.00 49.56 . 6 982
. HETA O O HOH . 307 . 6.706 17.656 14.200 1.00 62.44 . 6 983
. HETA O O HOH . 308 . -10.436 21.800 14.703 1.00 82.89 . 6 984
. HETA O O HOH . 302 . 21.660 8.100 14.400 1.00 78.85 . 6 985
. HETA O O HOH . 303 . 16.002 14.165 14.204 0.50 36.21 . 6 986
. HETA O O HOH . 311 . 18.624 9.971 14.472 1.00 68.09 . 6 987
. HETA O O HOH . 312 . 12.345 18.363 14.320 1.00 61.52 . 6 988
. HETA O O HOH . 314 . 15.375 13.331 15.234 0.50 38.87 . 6 989
. HETA O O HOH . 315 . 8.900 16.074 15.111 0.50 56.02 . 6 990
. HETA O O HOH . 316 . -8.811 19.800 14.800 1.00 84.33 . 6 991
. HETA O O HOH . 319 . 9.800 20.500 15.000 0.50 37.74 . 6 992
. HETA O O HOH . 321 . -0.629 5.214 14.504 1.00 52.63 . 6 993
. HETA O O HOH . 305 . 0.063 7.371 13.477 0.50 44.43 . 6 994
. HETA O O HOH . 322 . 4.331 21.351 15.200 1.00 48.37 . 6 995
. HETA O O HOH . 324 . 20.471 6.314 15.326 0.50 42.47 . 6 996
. HETA O O HOH . 325 . 15.956 10.347 15.577 1.00 73.09 . 6 997
. HETA O O HOH . 326 . 4.166 16.122 15.117 1.00 64.59 . 6 998
. HETA O O HOH . 331 . -3.496 10.462 15.323 1.00 41.57 . 6 999
. HETA O O HOH . 333 . 22.179 1.588 16.322 1.00 60.14 . 6 1000
. HETA O O HOH . 334 . 7.227 21.575 16.034 1.00 79.51 . 6 1001
. HETA O O HOH . 335 . 24.987 3.024 15.000 0.50 77.50 . 6 1002
. HETA O O HOH . 341 . 0.000 0.000 15.940 0.33 48.19 . 6 1003
. HETA O O HOH . 342 . 2.058 1.124 15.886 0.50 57.48 . 6 1004
. HETA O O HOH . 343 . -1.885 13.663 16.148 1.00 61.43 . 6 1005
. HETA O O HOH . 344 . -3.119 22.865 15.776 1.00 59.24 . 6 1006
. HETA O O HOH . 345 . 19.200 4.000 16.256 1.00 52.18 . 6 1007
. HETA O O HOH . 346 . 14.044 21.773 15.730 0.50 35.08 . 6 1008
. HETA O O HOH . 347 . 1.900 3.400 16.729 1.00 42.63 . 6 1009
. HETA O O HOH . 349 . 14.400 17.800 15.886 0.50 52.96 . 6 1010
. HETA O O HOH . 336 . 13.700 15.600 15.000 1.00 65.01 . 6 1011
. HETA O O HOH . 351 . 2.100 6.200 15.800 1.00 73.63 . 6 1012
. HETA O O HOH . 352 . 13.105 18.675 16.692 0.50 57.75 . 6 1013
. HETA O O HOH . 355 . 5.384 1.947 16.328 1.00 52.83 . 6 1014
. HETA O O HOH . 356 . 19.387 1.649 16.538 1.00 38.74 . 6 1015
. HETA O O HOH . 357 . 6.570 18.429 16.505 1.00 50.65 . 6 1016
. HETA O O HOH . 358 . -11.760 21.100 16.700 0.50 40.14 . 6 1017
. HETA O O HOH . 359 . 18.269 7.536 16.565 1.00 60.44 . 6 1018
. HETA O O HOH . 350 . 16.961 12.601 17.169 1.00 81.43 . 6 1019
. HETA O O HOH . 354 . 19.266 10.576 17.790 1.00 63.02 . 6 1020
. HETA O O HOH . 361 . -2.564 5.638 17.137 1.00 48.33 . 6 1021
. HETA O O HOH . 362 . -3.814 12.169 17.184 1.00 40.38 . 6 1022
. HETA O O HOH . 363 . 21.336 8.539 16.849 1.00 46.39 . 6 1023
. HETA O O HOH . 364 . 11.361 23.312 16.935 1.00 56.56 . 6 1024
. HETA O O HOH . 365 . 11.482 20.115 16.180 0.50 36.42 . 6 1025
. HETA O O HOH . 366 . 10.431 19.608 16.704 0.50 61.59 . 6 1026
. HETA O O HOH . 367 . -0.459 10.100 16.800 1.00 96.03 . 6 1027
. HETA O O HOH . 368 . -5.600 22.740 16.755 0.50 60.98 . 6 1028
. HETA O O HOH . 369 . 22.701 4.882 16.533 0.50 59.04 . 6 1029
. HETA O O HOH . 360 . -0.559 7.125 16.712 1.00 55.39 . 6 1030
. HETA O O HOH . 370 . 22.349 3.895 16.628 0.50 44.55 . 6 1031
. HETA O O HOH . 379 . 24.254 2.529 17.221 0.50 64.98 . 6 1032
. HETA O O HOH . 371 . -8.270 20.622 17.537 0.50 29.13 . 6 1033
. HETA O O HOH . 376 . -7.614 21.771 17.400 0.50 39.65 . 6 1034
. HETA O O HOH . 372 . 17.313 15.074 17.581 1.00 53.72 . 6 1035
. HETA O O HOH . 374 . -1.700 21.227 17.206 1.00 50.32 . 6 1036
. HETA O O HOH . 375 . 16.509 9.562 17.812 1.00 54.16 . 6 1037
. HETA O O HOH . 377 . -7.800 16.300 17.668 1.00 75.77 . 6 1038
. HETA O O HOH . 381 . 4.677 20.377 17.882 1.00 49.25 . 6 1039
. HETA O O HOH . 382 . 17.535 3.747 17.792 1.00 51.88 . 6 1040
. HETA O O HOH . 383 . -2.265 8.874 17.970 1.00 48.81 . 6 1041
. HETA O O HOH . 386 . -8.894 18.338 17.943 1.00 51.71 . 6 1042
. HETA O O HOH . 387 . 0.500 3.000 18.600 0.50 35.00 . 6 1043
. HETA O O HOH . 388 . 6.000 4.100 17.800 1.00 50.00 . 6 1044
. HETA O O HOH . 390 . 2.700 3.900 19.000 0.50 40.00 . 6 1045
. HETA O O HOH . 391 . 2.992 5.257 18.400 0.50 40.00 . 6 1046
. HETA O O HOH . 389 . 22.320 6.616 18.376 1.00 76.30 . 6 1047
. HETA O O HOH . 378 . 14.300 15.147 17.400 0.50 41.41 . 6 1048
. HETA O O HOH . 392 . 12.379 14.000 18.485 1.00 69.21 . 6 1049
. HETA O O HOH . 394 . 26.585 1.034 18.302 1.00 72.39 . 6 1050
. HETA O O HOH . 395 . 15.048 0.586 18.649 0.50 27.91 . 6 1051
. HETA O O HOH . 396 . 24.664 3.165 18.640 0.50 55.98 . 6 1052
. HETA O O HOH . 397 . 16.000 6.400 18.500 1.00 75.03 . 6 1053
. HETA O O HOH . 401 . -4.837 15.671 19.009 1.00 33.67 . 6 1054
. HETA O O HOH . 402 . -1.199 22.838 19.138 1.00 36.10 . 6 1055
. HETA O O HOH . 403 . 1.686 21.194 18.890 1.00 36.62 . 6 1056
. HETA O O HOH . 404 . 7.587 19.898 18.900 1.00 74.10 . 6 1057
. HETA O O HOH . 405 . 23.636 0.400 18.433 0.50 38.58 . 6 1058
. HETA O O HOH . 407 . 7.200 0.000 19.364 1.00 80.00 . 6 1059
. HETA O O HOH . 408 . 12.325 20.187 18.584 1.00 76.30 . 6 1060
. HETA O O HOH . 409 . 8.868 21.918 18.717 1.00 88.44 . 6 1061
. HETA O O HOH . 411 . -5.300 12.855 19.148 1.00 51.00 . 6 1062
. HETA O O HOH . 412 . 4.000 0.889 19.161 1.00 56.19 . 6 1063
. HETA O O HOH . 413 . 11.500 16.200 18.500 1.00 54.59 . 6 1064
. HETA O O HOH . 414 . 15.033 14.600 19.135 0.50 40.58 . 6 1065
. HETA O O HOH . 415 . 16.700 11.300 19.500 0.50 53.18 . 6 1066
. HETA O O HOH . 421 . 4.304 23.913 8.300 1.00 56.36 . 6 1067
. HETA O O HOH . 422 . 17.595 8.307 19.856 1.00 43.95 . 6 1068
. HETA O O HOH . 423 . 8.460 17.052 19.897 1.00 58.87 . 6 1069
. HETA O O HOH . 424 . 11.600 18.400 20.000 1.00 60.00 . 6 1070
. HETA O O HOH . 425 . -9.409 23.116 19.633 1.00 66.30 . 6 1071
. HETA O O HOH . 428 . 7.200 3.000 19.668 1.00 79.22 . 6 1072
. HETA O O HOH . 429 . 21.000 4.000 19.956 1.00 59.41 . 6 1073
. HETA O O HOH . 420 . -0.800 4.800 19.700 1.00 50.00 . 6 1074
. HETA O O HOH . 431 . 13.592 4.017 20.054 1.00 43.20 . 6 1075
. HETA O O HOH . 432 . -0.400 2.600 20.000 0.50 40.00 . 6 1076
. HETA O O HOH . 433 . 19.480 6.217 19.797 1.00 62.99 . 6 1077
. HETA O O HOH . 435 . 20.876 1.574 20.116 0.50 41.62 . 6 1078
. HETA O O HOH . 437 . 18.870 3.203 20.295 1.00 65.25 . 6 1079
. HETA O O HOH . 438 . 22.043 8.448 20.602 0.50 38.02 . 6 1080
. HETA O O HOH . 439 . 15.420 7.740 20.813 1.00 61.77 . 6 1081
. HETA O O HOH . 441 . 14.400 19.900 20.800 1.00 46.45 . 6 1082
. HETA O O HOH . 442 . 8.900 4.300 20.900 1.00 66.62 . 6 1083
. HETA O O HOH . 443 . 12.900 7.700 20.600 1.00 50.81 . 6 1084
. HETA O O HOH . 444 . 23.373 3.907 20.784 0.50 37.81 . 6 1085
. HETA O O HOH . 445 . 22.600 5.200 21.000 0.50 50.00 . 6 1086
. HETA O O HOH . 446 . 11.000 20.300 21.100 0.50 50.00 . 6 1087
. HETA O O HOH . 447 . 3.848 22.050 20.436 1.00 73.68 . 6 1088
. HETA O O HOH . 448 . 15.900 13.400 20.500 0.50 37.02 . 6 1089
. HETA O O HOH . 449 . 15.000 15.900 20.409 0.50 51.72 . 6 1090
. HETA O O HOH . 451 . -5.648 12.110 21.371 1.00 36.62 . 6 1091
. HETA O O HOH . 453 . -3.499 9.530 21.143 1.00 58.40 . 6 1092
. HETA O O HOH . 452 . 11.455 5.672 21.400 0.50 45.30 . 6 1093
. HETA O O HOH . 455 . 19.300 11.200 21.251 1.00 93.71 . 6 1094
. HETA O O HOH . 456 . 12.867 15.311 21.383 1.00
104.59 . 6 1095
. HETA O O HOH . 450 . 16.200 18.500 20.516 0.50 57.42 . 6 1096
. HETA O O HOH . 459 . 17.900 14.200 21.400 0.50 54.11 . 6 1097
. HETA O O HOH . 461 . -2.438 17.554 21.488 1.00 27.54 . 6 1098
. HETA O O HOH . 462 . 2.426 2.789 21.667 0.50 37.21 . 6 1099
. HETA O O HOH . 473 . 5.591 3.514 22.644 1.00 66.58 . 6 1100
. HETA O O HOH . 474 . 21.490 9.784 21.789 0.50 37.24 . 6 1101
. HETA O O HOH . 475 . 22.459 7.099 21.906 0.50 54.11 . 6 1102
. HETA O O HOH . 476 . 23.362 5.246 22.116 0.50 53.14 . 6 1103
. HETA O O HOH . 477 . 10.026 5.995 22.154 0.50 36.85 . 6 1104
. HETA O O HOH . 481 . 16.230 16.756 22.900 1.00 51.60 . 6 1105
. HETA O O HOH . 482 . 7.950 1.500 22.400 1.00 74.32 . 6 1106
. HETA O O HOH . 484 . 0.000 0.000 22.203 0.33 26.53 . 6 1107
. HETA O O HOH . 485 . 6.000 0.331 22.809 1.00 81.99 . 6 1108
. HETA O O HOH . 486 . 2.400 1.900 22.950 0.50 53.75 . 6 1109
. HETA O O HOH . 487 . 16.826 9.360 22.915 1.00 64.50 . 6 1110
. HETA O O HOH . 488 . 10.028 0.600 22.667 1.00 50.88 . 6 1111
. HETA O O HOH . 491 . 1.801 22.097 22.791 1.00 33.66 . 6 1112
. HETA O O HOH . 492 . -2.158 10.172 22.900 1.00 34.73 . 6 1113
. HETA O O HOH . 493 . 8.566 22.210 23.275 1.00 52.52 . 6 1114
. HETA O O HOH . 494 . 19.041 7.317 22.965 1.00 45.49 . 6 1115
. HETA O O HOH . 496 . 13.154 17.896 23.121 0.50 58.99 . 6 1116
. HETA O O HOH . 497 . 25.120 2.792 23.670 1.00 49.60 . 6 1117
. HETA O O HOH . 498 . 0.848 2.630 23.300 0.50 51.96 . 6 1118
. HETA O O HOH . 501 . 12.799 4.914 23.300 1.00 45.19 . 6 1119
. HETA O O HOH . 502 . 14.100 1.511 23.000 1.00 54.91 . 6 1120
. HETA O O HOH . 503 . 18.000 5.200 23.400 0.50 40.00 . 6 1121
. HETA O O HOH . 504 . 20.460 5.246 23.195 0.50 42.74 . 6 1122
. HETA O O HOH . 505 . 18.500 13.238 23.926 0.50 60.34 . 6 1123
. HETA O O HOH . 506 . 9.469 4.007 23.263 0.50 65.39 . 6 1124
. HETA O O HOH . 511 . 3.330 4.805 23.757 1.00 24.03 . 6 1125
. HETA O O HOH . 512 . -6.414 11.027 24.091 1.00 36.40 . 6 1126
. HETA O O HOH . 514 . -1.798 3.543 24.064 1.00 80.64 . 6 1127
. HETA O O HOH . 513 . 1.468 0.225 24.184 1.00 35.46 . 6 1128
. HETA O O HOH . 515 . -12.014 22.141 24.296 1.00 66.63 . 6 1129
. HETA O O HOH . 516 . 13.052 19.509 23.128 0.50 62.84 . 6 1130
. HETA O O HOH . 517 . -9.519 22.726 24.412 1.00 71.89 . 6 1131
. HETA O O HOH . 521 . 9.900 22.890 25.259 1.00 65.26 . 6 1132
. HETA O O HOH . 522 . 16.495 17.126 26.000 1.00 40.00 . 6 1133
. HETA O O HOH . 524 . 21.700 5.400 24.514 0.50 50.22 . 6 1134
. HETA O O HOH . 525 . 6.642 20.679 24.898 1.00 58.56 . 6 1135
. HETA O O HOH . 526 . 20.692 8.311 24.457 0.50 48.03 . 6 1136
. HETA O O HOH . 531 . -1.763 20.077 25.007 1.00 21.36 . 6 1137
. HETA O O HOH . 532 . -8.670 18.367 25.265 1.00 27.41 . 6 1138
. HETA O O HOH . 533 . 7.700 4.223 25.055 1.00 33.74 . 6 1139
. HETA O O HOH . 535 . 19.581 11.070 25.093 1.00 65.09 . 6 1140
. HETA O O HOH . 536 . -2.718 10.300 25.150 1.00 73.39 . 6 1141
. HETA O O HOH . 537 . 22.450 8.700 25.159 0.50 48.15 . 6 1142
. HETA O O HOH . 541 . -1.293 22.963 25.513 1.00 29.91 . 6 1143
. HETA O O HOH . 542 . 12.210 21.699 25.848 0.50 44.27 . 6 1144
. HETA O O HOH . 527 . 11.500 21.600 24.157 0.50 70.69 . 6 1145
. HETA O O HOH . 544 . 25.803 0.095 26.600 1.00 56.59 . 6 1146
. HETA O O HOH . 545 . 23.392 1.295 25.732 1.00 48.54 . 6 1147
. HETA O O HOH . 546 . 12.194 3.114 25.000 1.00 76.30 . 6 1148
. HETA O O HOH . 551 . 4.708 1.340 26.039 1.00 30.59 . 6 1149
. HETA O O HOH . 552 . 14.388 19.737 25.636 1.00 64.76 . 6 1150
. HETA O O HOH . 561 . 5.419 3.667 26.434 1.00 31.12 . 6 1151
. HETA O O HOH . 562 . 23.512 4.500 26.629 1.00 66.30 . 6 1152
. HETA O O HOH . 563 . -10.096 20.400 26.037 1.00 73.01 . 6 1153
. HETA O O HOH . 571 . -9.600 23.170 26.887 1.00 62.82 . 6 1154
. HETA O O HOH . 572 . 16.389 14.064 27.171 1.00 74.53 . 6 1155
. HETA O O HOH . 574 . 18.700 14.000 26.532 1.00 79.38 . 6 1156
. HETA O O HOH . 582 . 10.926 10.684 26.940 1.00 44.80 . 6 1157
. HETA O O HOH . 583 . 12.500 21.800 27.254 0.50 47.63 . 6 1158
. HETA O O HOH . 581 . 15.038 21.545 5.268 1.00 55.92 . 6 1159
. HETA O O HOH . 591 . -1.739 18.453 27.705 1.00 12.21 . 6 1160
. HETA O O HOH . 592 . 27.000 1.000 28.300 1.00 70.92 . 6 1161
. HETA O O HOH . 593 . 20.879 8.934 27.397 0.50 49.09 . 6 1162
. HETA O O HOH . 601 . 5.301 3.962 28.700 0.60 31.54 . 6 1163
. HETA O O HOH . 602 . 13.794 13.317 28.059 1.00 74.41 . 6 1164
. HETA O O HOH . 603 . 6.578 4.370 28.779 0.40 28.91 . 6 1165
. HETA O O HOH . 611 . 19.254 14.024 28.832 1.00 55.11 . 6 1166
. HETA O O HOH . 612 . 14.279 1.568 28.963 1.00 65.08 . 6 1167
. HETA O O HOH . 622 . 14.080 9.849 29.479 1.00 27.58 . 6 1168
. HETA O O HOH . 621 . 23.137 6.636 29.293 0.50 55.90 . 6 1169
. HETA O O HOH . 641 . 18.586 7.949 30.401 0.50 17.96 . 6 1170
. HETA O O HOH . 631 . 10.475 22.332 30.034 1.00 41.35 . 6 1171
. HETA O O HOH . 632 . 14.200 22.300 30.301 1.00 67.11 . 6 1172
. HETA O O HOH . 642 . 4.564 5.544 30.131 1.00 37.24 . 6 1173
. HETA O O HOH . 651 . 0.000 0.000 30.941 0.33 24.09 . 6 1174
. HETA O O HOH . 652 . 3.559 3.107 30.844 1.00 34.61 . 6 1175
. HETA O O HOH . 653 . -1.317 2.461 30.833 1.00 27.74 . 6 1176
. HETA O O HOH . 671 . 6.900 3.468 31.640 1.00 38.60 . 6 1177
. HETA O O HOH . 672 . 1.484 2.379 31.639 1.00 81.34 . 6 1178
. HETA O O HOH . 673 . -11.700 22.918 32.100 1.00 83.01 . 6 1179
. HETA O O HOH . 674 . 12.200 21.561 31.604 1.00 55.36 . 6 1180
. HETA O O HOH . 691 . 25.195 1.527 33.000 1.00 77.73 . 6 1181
. HETA O O HOH . 701 . 11.090 22.753 33.200 1.00 96.30 . 6 1182
. HETA O O HOH . 702 . 3.296 3.651 33.200 1.00 86.30 . 6 1183
. HETA O O HOH . 711 . 24.237 4.743 33.829 1.00 38.87 . 6 1184
. HETA O O HOH . 721 . 6.358 23.611 -0.018 1.00 94.84 . 6 1185
####################
# #
# DATABASE_2 #
# #
####################
_database_2.database_id PDB
_database_2.database_code 4INS
####################
# #
# DATABASE_PDB_REV #
# #
####################
_database_PDB_rev.date_original 1989-07-10
loop_
_database_PDB_rev.num
_database_PDB_rev.date
_database_PDB_rev.mod_type
3 1994-07-31 3
2 1993-07-15 1
1 1990-04-15 0
loop_
_database_PDB_rev_record.rev_num
_database_PDB_rev_record.details
_database_PDB_rev_record.type
3 4INSB HETATM
2 4INSA HEADER
loop_
_database_PDB_rev.num
_database_PDB_rev.date
_database_PDB_rev.replaces
1 15-APR-90 1INS
####################
# #
# STRUCT_BIOL #
# #
####################
_struct_biol.id 4INS
_struct_biol.details 'HORMONE '
################
# #
# STRUCT_SHEET #
# #
################
loop_
_struct_sheet.id
_struct_sheet.number_strands
B 2
loop_
_struct_sheet_hbond.sheet_id
_struct_sheet_hbond.range_id_1
_struct_sheet_hbond.range_id_2
_struct_sheet_hbond.range_1_beg_label_seq_id
_struct_sheet_hbond.range_1_beg_label_atom_id
_struct_sheet_hbond.range_2_beg_label_seq_id
_struct_sheet_hbond.range_2_beg_label_atom_id
_struct_sheet_hbond.range_1_end_label_seq_id
_struct_sheet_hbond.range_1_end_label_atom_id
_struct_sheet_hbond.range_2_end_label_seq_id
_struct_sheet_hbond.range_2_end_label_atom_id
B 1_B 2_B 26 O 24 N 26 O 24 N
loop_
_struct_sheet_order.sheet_id
_struct_sheet_order.range_id_1
_struct_sheet_order.range_id_2
_struct_sheet_order.offset
_struct_sheet_order.sense
B 1_B 2_B +1 anti-parallel
loop_
_struct_sheet_range.sheet_id
_struct_sheet_range.id
_struct_sheet_range.beg_label_comp_id
_struct_sheet_range.beg_label_asym_id
_struct_sheet_range.beg_label_seq_id
_struct_sheet_range.end_label_comp_id
_struct_sheet_range.end_label_asym_id
_struct_sheet_range.end_label_seq_id
B 1_B PHE B 24 TYR B 26
B 2_B PHE D 24 TYR D 26
# REMARK records parsed = 167;# specified by PDB = 167
# FTNOTE records parsed = 11;# specified by PDB = 11
# HET records parsed = 2;# specified by PDB = 2
# HELIX records parsed = 6;# specified by PDB = 6
# SHEET records parsed = 2;# specified by PDB = 2
# TURN records parsed = 4;# specified by PDB = 4
# SITE records parsed = 12;# specified by PDB = 12
# AT+HET records parsed = 1181;# specified by PDB = 1181
# TER records parsed = 4;# specified by PDB = 4
# CONECT records parsed = 12;# specified by PDB = 12
# SEQRES records parsed = 10;# specified by PDB = 10
# Total of 1439 records processed from PDB file